USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 940 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 66 LYS NZ :NH3+ 158:sc= -0.0796 (180deg=-0.0449) USER MOD Set 1.2: A 117 ASN : amide:sc= -2.38 K(o=-2.5,f=-9.6!) USER MOD Set 2.1: A 56 LYS NZ :NH3+ -153:sc= -0.994! (180deg=-2.7!) USER MOD Set 2.2: A 62 TYR OH : rot 180:sc= -1.83! USER MOD Set 3.1: A 8 ASN : amide:sc= -0.853 K(o=-0.84,f=-2.8!) USER MOD Set 3.2: A 9 THR OG1 : rot 13:sc= 0.0136 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -79:sc= 1.13 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -4.54! C(o=-4.5!,f=-5.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 150:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0114) USER MOD Single : A 48 MET CE :methyl 168:sc=-0.00323 (180deg=-0.202) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 73:sc= 0.00657 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -2.88! C(o=-4.1!,f=-2.9!) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.512 F(o=-2.3,f=-0.51) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -123:sc= -0.369 (180deg=-1.63) USER MOD Single : A 76 CYS SG : rot -8:sc= 0.611 USER MOD Single : A 77 SER OG : rot -55:sc= 0.481 USER MOD Single : A 78 ASN : amide:sc= 0.342 K(o=0.34,f=-1.8!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc=-0.000853 X(o=-0.00085,f=-0.013) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -1 X(o=-1,f=-0.73) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 CYS SG : rot -31:sc= -1.47! USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -0.408 18.285 3.522 1.00 0.00 N ATOM 60 CA GLY A 7 0.678 17.878 4.395 1.00 0.00 C ATOM 61 C GLY A 7 0.190 17.119 5.612 1.00 0.00 C ATOM 62 O GLY A 7 0.112 15.891 5.596 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.375 17.253 3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.230 18.760 4.718 1.00 0.00 H new ATOM 66 N ASN A 8 -0.140 17.850 6.672 1.00 0.00 N ATOM 67 CA ASN A 8 -0.621 17.237 7.904 1.00 0.00 C ATOM 68 C ASN A 8 -1.781 16.287 7.622 1.00 0.00 C ATOM 69 O ASN A 8 -1.876 15.212 8.215 1.00 0.00 O ATOM 70 CB ASN A 8 -1.060 18.316 8.897 1.00 0.00 C ATOM 71 CG ASN A 8 -2.149 19.210 8.335 1.00 0.00 C ATOM 72 OD1 ASN A 8 -3.300 18.795 8.199 1.00 0.00 O ATOM 73 ND2 ASN A 8 -1.788 20.445 8.005 1.00 0.00 N ATOM 0 H ASN A 8 -0.083 18.868 6.702 1.00 0.00 H new ATOM 0 HA ASN A 8 0.197 16.663 8.339 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.419 17.841 9.810 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.199 18.925 9.171 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.477 21.092 7.622 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.822 20.746 8.135 1.00 0.00 H new ATOM 80 N THR A 9 -2.662 16.691 6.713 1.00 0.00 N ATOM 81 CA THR A 9 -3.816 15.877 6.352 1.00 0.00 C ATOM 82 C THR A 9 -3.385 14.505 5.848 1.00 0.00 C ATOM 83 O THR A 9 -4.098 13.515 6.022 1.00 0.00 O ATOM 84 CB THR A 9 -4.671 16.563 5.270 1.00 0.00 C ATOM 85 OG1 THR A 9 -5.116 17.842 5.735 1.00 0.00 O ATOM 86 CG2 THR A 9 -5.873 15.704 4.906 1.00 0.00 C ATOM 0 H THR A 9 -2.599 17.578 6.213 1.00 0.00 H new ATOM 0 HA THR A 9 -4.414 15.758 7.256 1.00 0.00 H new ATOM 0 HB THR A 9 -4.055 16.695 4.380 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.623 18.085 6.547 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.462 16.209 4.140 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.531 14.742 4.525 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.488 15.545 5.792 1.00 0.00 H new ATOM 94 N LEU A 10 -2.213 14.450 5.224 1.00 0.00 N ATOM 95 CA LEU A 10 -1.686 13.197 4.695 1.00 0.00 C ATOM 96 C LEU A 10 -0.989 12.395 5.789 1.00 0.00 C ATOM 97 O LEU A 10 -1.075 11.167 5.823 1.00 0.00 O ATOM 98 CB LEU A 10 -0.710 13.474 3.550 1.00 0.00 C ATOM 99 CG LEU A 10 -1.216 14.406 2.448 1.00 0.00 C ATOM 100 CD1 LEU A 10 -0.160 14.576 1.367 1.00 0.00 C ATOM 101 CD2 LEU A 10 -2.510 13.873 1.852 1.00 0.00 C ATOM 0 H LEU A 10 -1.610 15.259 5.072 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.523 12.610 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.200 13.902 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.435 12.522 3.095 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.417 15.383 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.537 15.242 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.743 15.003 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.073 13.605 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.856 14.549 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.335 12.885 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.268 13.803 2.632 1.00 0.00 H new ATOM 113 N ARG A 11 -0.301 13.097 6.684 1.00 0.00 N ATOM 114 CA ARG A 11 0.409 12.450 7.780 1.00 0.00 C ATOM 115 C ARG A 11 -0.450 11.363 8.419 1.00 0.00 C ATOM 116 O ARG A 11 -0.051 10.201 8.484 1.00 0.00 O ATOM 117 CB ARG A 11 0.812 13.482 8.835 1.00 0.00 C ATOM 118 CG ARG A 11 1.393 12.868 10.098 1.00 0.00 C ATOM 119 CD ARG A 11 2.893 12.656 9.976 1.00 0.00 C ATOM 120 NE ARG A 11 3.361 11.559 10.819 1.00 0.00 N ATOM 121 CZ ARG A 11 3.614 11.685 12.117 1.00 0.00 C ATOM 122 NH1 ARG A 11 3.444 12.855 12.717 1.00 0.00 N ATOM 123 NH2 ARG A 11 4.037 10.641 12.817 1.00 0.00 N ATOM 0 H ARG A 11 -0.221 14.114 6.671 1.00 0.00 H new ATOM 0 HA ARG A 11 1.308 11.986 7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.544 14.164 8.403 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.061 14.078 9.100 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.184 13.517 10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.905 11.914 10.298 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.146 12.448 8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.412 13.573 10.253 1.00 0.00 H new ATOM 0 HE ARG A 11 3.501 10.646 10.387 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.118 13.660 12.182 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.639 12.950 13.714 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.169 9.739 12.359 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.231 10.740 13.814 1.00 0.00 H new ATOM 137 N GLU A 12 -1.632 11.751 8.890 1.00 0.00 N ATOM 138 CA GLU A 12 -2.546 10.810 9.525 1.00 0.00 C ATOM 139 C GLU A 12 -2.909 9.675 8.571 1.00 0.00 C ATOM 140 O GLU A 12 -3.211 8.560 9.000 1.00 0.00 O ATOM 141 CB GLU A 12 -3.816 11.529 9.984 1.00 0.00 C ATOM 142 CG GLU A 12 -3.582 12.514 11.118 1.00 0.00 C ATOM 143 CD GLU A 12 -2.997 13.828 10.637 1.00 0.00 C ATOM 144 OE1 GLU A 12 -3.773 14.683 10.162 1.00 0.00 O ATOM 145 OE2 GLU A 12 -1.765 14.001 10.736 1.00 0.00 O ATOM 0 H GLU A 12 -1.978 12.709 8.843 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.043 10.385 10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.249 12.060 9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.548 10.787 10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.526 12.706 11.628 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.909 12.067 11.850 1.00 0.00 H new ATOM 152 N LEU A 13 -2.877 9.967 7.275 1.00 0.00 N ATOM 153 CA LEU A 13 -3.202 8.972 6.259 1.00 0.00 C ATOM 154 C LEU A 13 -2.078 7.950 6.118 1.00 0.00 C ATOM 155 O LEU A 13 -2.322 6.743 6.106 1.00 0.00 O ATOM 156 CB LEU A 13 -3.458 9.654 4.914 1.00 0.00 C ATOM 157 CG LEU A 13 -4.009 8.760 3.802 1.00 0.00 C ATOM 158 CD1 LEU A 13 -5.513 8.594 3.947 1.00 0.00 C ATOM 159 CD2 LEU A 13 -3.663 9.333 2.436 1.00 0.00 C ATOM 0 H LEU A 13 -2.629 10.884 6.903 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.106 8.449 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.157 10.475 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.523 10.094 4.569 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.546 7.777 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.887 7.955 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.737 8.138 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.994 9.570 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.063 8.684 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.098 10.328 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.580 9.399 2.333 1.00 0.00 H new ATOM 171 N ARG A 14 -0.848 8.441 6.015 1.00 0.00 N ATOM 172 CA ARG A 14 0.313 7.570 5.876 1.00 0.00 C ATOM 173 C ARG A 14 0.276 6.447 6.908 1.00 0.00 C ATOM 174 O ARG A 14 0.374 5.269 6.562 1.00 0.00 O ATOM 175 CB ARG A 14 1.604 8.377 6.031 1.00 0.00 C ATOM 176 CG ARG A 14 2.834 7.667 5.490 1.00 0.00 C ATOM 177 CD ARG A 14 3.911 8.658 5.075 1.00 0.00 C ATOM 178 NE ARG A 14 4.503 9.337 6.224 1.00 0.00 N ATOM 179 CZ ARG A 14 5.139 10.500 6.143 1.00 0.00 C ATOM 180 NH1 ARG A 14 5.265 11.111 4.972 1.00 0.00 N ATOM 181 NH2 ARG A 14 5.650 11.056 7.234 1.00 0.00 N ATOM 0 H ARG A 14 -0.629 9.437 6.025 1.00 0.00 H new ATOM 0 HA ARG A 14 0.287 7.127 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.490 9.331 5.517 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.759 8.600 7.087 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.231 6.994 6.250 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.554 7.052 4.634 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.691 8.135 4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.482 9.397 4.399 1.00 0.00 H new ATOM 0 HE ARG A 14 4.424 8.894 7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.873 10.688 4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.754 12.004 4.913 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.555 10.590 8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.138 11.949 7.170 1.00 0.00 H new ATOM 195 N LEU A 15 0.135 6.819 8.175 1.00 0.00 N ATOM 196 CA LEU A 15 0.086 5.843 9.258 1.00 0.00 C ATOM 197 C LEU A 15 -1.203 5.029 9.200 1.00 0.00 C ATOM 198 O LEU A 15 -1.178 3.801 9.272 1.00 0.00 O ATOM 199 CB LEU A 15 0.197 6.547 10.612 1.00 0.00 C ATOM 200 CG LEU A 15 1.433 7.424 10.812 1.00 0.00 C ATOM 201 CD1 LEU A 15 1.142 8.539 11.806 1.00 0.00 C ATOM 202 CD2 LEU A 15 2.612 6.585 11.281 1.00 0.00 C ATOM 0 H LEU A 15 0.053 7.789 8.478 1.00 0.00 H new ATOM 0 HA LEU A 15 0.929 5.163 9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.689 7.166 10.751 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.183 5.789 11.395 1.00 0.00 H new ATOM 0 HG LEU A 15 1.692 7.876 9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.033 9.153 11.936 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.327 9.158 11.430 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.857 8.106 12.765 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.483 7.226 11.418 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.363 6.104 12.227 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.836 5.823 10.535 1.00 0.00 H new ATOM 214 N PHE A 16 -2.329 5.723 9.066 1.00 0.00 N ATOM 215 CA PHE A 16 -3.628 5.065 8.996 1.00 0.00 C ATOM 216 C PHE A 16 -3.567 3.834 8.096 1.00 0.00 C ATOM 217 O PHE A 16 -3.849 2.717 8.532 1.00 0.00 O ATOM 218 CB PHE A 16 -4.689 6.038 8.478 1.00 0.00 C ATOM 219 CG PHE A 16 -6.040 5.408 8.292 1.00 0.00 C ATOM 220 CD1 PHE A 16 -6.541 4.522 9.232 1.00 0.00 C ATOM 221 CD2 PHE A 16 -6.810 5.704 7.179 1.00 0.00 C ATOM 222 CE1 PHE A 16 -7.784 3.941 9.063 1.00 0.00 C ATOM 223 CE2 PHE A 16 -8.053 5.126 7.004 1.00 0.00 C ATOM 224 CZ PHE A 16 -8.541 4.244 7.948 1.00 0.00 C ATOM 0 H PHE A 16 -2.368 6.740 9.004 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.899 4.744 10.002 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.778 6.871 9.175 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.356 6.453 7.527 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.954 4.283 10.106 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.434 6.395 6.439 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.163 3.251 9.802 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.642 5.364 6.130 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.513 3.792 7.815 1.00 0.00 H new ATOM 234 N LEU A 17 -3.198 4.047 6.838 1.00 0.00 N ATOM 235 CA LEU A 17 -3.100 2.956 5.874 1.00 0.00 C ATOM 236 C LEU A 17 -2.129 1.885 6.361 1.00 0.00 C ATOM 237 O LEU A 17 -2.522 0.746 6.612 1.00 0.00 O ATOM 238 CB LEU A 17 -2.648 3.490 4.514 1.00 0.00 C ATOM 239 CG LEU A 17 -3.572 4.514 3.854 1.00 0.00 C ATOM 240 CD1 LEU A 17 -2.938 5.067 2.587 1.00 0.00 C ATOM 241 CD2 LEU A 17 -4.926 3.890 3.546 1.00 0.00 C ATOM 0 H LEU A 17 -2.962 4.965 6.461 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.087 2.505 5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.663 3.942 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.531 2.645 3.835 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.724 5.339 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.610 5.794 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.993 5.551 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.755 4.252 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.571 4.633 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.792 3.046 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.386 3.543 4.471 1.00 0.00 H new ATOM 253 N ARG A 18 -0.861 2.260 6.495 1.00 0.00 N ATOM 254 CA ARG A 18 0.166 1.332 6.953 1.00 0.00 C ATOM 255 C ARG A 18 -0.372 0.431 8.061 1.00 0.00 C ATOM 256 O ARG A 18 -0.317 -0.795 7.959 1.00 0.00 O ATOM 257 CB ARG A 18 1.390 2.100 7.454 1.00 0.00 C ATOM 258 CG ARG A 18 2.687 1.315 7.346 1.00 0.00 C ATOM 259 CD ARG A 18 3.891 2.176 7.696 1.00 0.00 C ATOM 260 NE ARG A 18 4.197 2.134 9.124 1.00 0.00 N ATOM 261 CZ ARG A 18 5.361 2.518 9.637 1.00 0.00 C ATOM 262 NH1 ARG A 18 6.322 2.970 8.844 1.00 0.00 N ATOM 263 NH2 ARG A 18 5.564 2.450 10.947 1.00 0.00 N ATOM 0 H ARG A 18 -0.520 3.200 6.293 1.00 0.00 H new ATOM 0 HA ARG A 18 0.459 0.707 6.110 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.486 3.025 6.885 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.231 2.381 8.495 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.649 0.453 8.013 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.797 0.929 6.332 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.758 1.835 7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.699 3.206 7.396 1.00 0.00 H new ATOM 0 HE ARG A 18 3.478 1.791 9.762 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.169 3.024 7.837 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.214 3.264 9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.826 2.103 11.560 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.458 2.745 11.341 1.00 0.00 H new ATOM 277 N ASP A 19 -0.889 1.046 9.119 1.00 0.00 N ATOM 278 CA ASP A 19 -1.436 0.300 10.246 1.00 0.00 C ATOM 279 C ASP A 19 -2.419 -0.764 9.767 1.00 0.00 C ATOM 280 O ASP A 19 -2.342 -1.923 10.176 1.00 0.00 O ATOM 281 CB ASP A 19 -2.130 1.249 11.225 1.00 0.00 C ATOM 282 CG ASP A 19 -2.153 0.706 12.640 1.00 0.00 C ATOM 283 OD1 ASP A 19 -3.088 -0.053 12.969 1.00 0.00 O ATOM 284 OD2 ASP A 19 -1.235 1.040 13.418 1.00 0.00 O ATOM 0 H ASP A 19 -0.941 2.060 9.220 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.611 -0.196 10.756 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.619 2.212 11.217 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.152 1.427 10.891 1.00 0.00 H new ATOM 289 N VAL A 20 -3.342 -0.362 8.900 1.00 0.00 N ATOM 290 CA VAL A 20 -4.340 -1.281 8.366 1.00 0.00 C ATOM 291 C VAL A 20 -3.680 -2.463 7.665 1.00 0.00 C ATOM 292 O VAL A 20 -3.998 -3.620 7.942 1.00 0.00 O ATOM 293 CB VAL A 20 -5.282 -0.572 7.374 1.00 0.00 C ATOM 294 CG1 VAL A 20 -6.212 -1.576 6.709 1.00 0.00 C ATOM 295 CG2 VAL A 20 -6.077 0.516 8.080 1.00 0.00 C ATOM 0 H VAL A 20 -3.420 0.594 8.552 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.922 -1.643 9.214 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.677 -0.103 6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.870 -1.057 6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.622 -2.316 6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.812 -2.076 7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.737 1.007 7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.672 0.072 8.878 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.392 1.250 8.504 1.00 0.00 H new ATOM 305 N THR A 21 -2.757 -2.165 6.756 1.00 0.00 N ATOM 306 CA THR A 21 -2.051 -3.203 6.015 1.00 0.00 C ATOM 307 C THR A 21 -1.316 -4.148 6.958 1.00 0.00 C ATOM 308 O THR A 21 -1.562 -5.355 6.961 1.00 0.00 O ATOM 309 CB THR A 21 -1.040 -2.596 5.023 1.00 0.00 C ATOM 310 OG1 THR A 21 -1.734 -1.917 3.971 1.00 0.00 O ATOM 311 CG2 THR A 21 -0.146 -3.676 4.434 1.00 0.00 C ATOM 0 H THR A 21 -2.481 -1.213 6.515 1.00 0.00 H new ATOM 0 HA THR A 21 -2.804 -3.762 5.459 1.00 0.00 H new ATOM 0 HB THR A 21 -0.415 -1.885 5.563 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.085 -1.533 3.346 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.559 -3.224 3.737 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.403 -4.171 5.235 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.758 -4.408 3.907 1.00 0.00 H new ATOM 319 N LYS A 22 -0.412 -3.594 7.758 1.00 0.00 N ATOM 320 CA LYS A 22 0.359 -4.387 8.708 1.00 0.00 C ATOM 321 C LYS A 22 -0.524 -5.427 9.391 1.00 0.00 C ATOM 322 O LYS A 22 -0.281 -6.629 9.280 1.00 0.00 O ATOM 323 CB LYS A 22 1.001 -3.479 9.760 1.00 0.00 C ATOM 324 CG LYS A 22 2.371 -2.959 9.360 1.00 0.00 C ATOM 325 CD LYS A 22 2.733 -1.696 10.123 1.00 0.00 C ATOM 326 CE LYS A 22 3.291 -2.018 11.501 1.00 0.00 C ATOM 327 NZ LYS A 22 3.631 -0.785 12.264 1.00 0.00 N ATOM 0 H LYS A 22 -0.195 -2.597 7.767 1.00 0.00 H new ATOM 0 HA LYS A 22 1.143 -4.906 8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.341 -2.632 9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.090 -4.029 10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.122 -3.727 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.385 -2.755 8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.468 -1.125 9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.850 -1.066 10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.561 -2.602 12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.182 -2.638 11.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.008 -1.047 13.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.347 -0.240 11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.776 -0.206 12.386 1.00 0.00 H new ATOM 341 N ARG A 23 -1.548 -4.958 10.094 1.00 0.00 N ATOM 342 CA ARG A 23 -2.467 -5.848 10.794 1.00 0.00 C ATOM 343 C ARG A 23 -2.832 -7.046 9.922 1.00 0.00 C ATOM 344 O ARG A 23 -2.881 -8.181 10.397 1.00 0.00 O ATOM 345 CB ARG A 23 -3.734 -5.093 11.199 1.00 0.00 C ATOM 346 CG ARG A 23 -4.835 -5.994 11.734 1.00 0.00 C ATOM 347 CD ARG A 23 -4.646 -6.285 13.215 1.00 0.00 C ATOM 348 NE ARG A 23 -5.248 -7.557 13.604 1.00 0.00 N ATOM 349 CZ ARG A 23 -4.668 -8.736 13.405 1.00 0.00 C ATOM 350 NH1 ARG A 23 -3.478 -8.803 12.826 1.00 0.00 N ATOM 351 NH2 ARG A 23 -5.280 -9.850 13.787 1.00 0.00 N ATOM 0 H ARG A 23 -1.763 -3.966 10.195 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.968 -6.212 11.692 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.479 -4.354 11.959 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.112 -4.545 10.336 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.804 -5.520 11.576 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.844 -6.930 11.176 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.581 -6.302 13.448 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.088 -5.480 13.802 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.164 -7.540 14.053 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.005 -7.948 12.532 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.035 -9.709 12.674 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.196 -9.801 14.233 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.835 -10.755 13.634 1.00 0.00 H new ATOM 365 N LEU A 24 -3.089 -6.785 8.645 1.00 0.00 N ATOM 366 CA LEU A 24 -3.451 -7.842 7.707 1.00 0.00 C ATOM 367 C LEU A 24 -2.270 -8.775 7.456 1.00 0.00 C ATOM 368 O LEU A 24 -2.361 -9.981 7.683 1.00 0.00 O ATOM 369 CB LEU A 24 -3.926 -7.236 6.385 1.00 0.00 C ATOM 370 CG LEU A 24 -5.137 -6.307 6.470 1.00 0.00 C ATOM 371 CD1 LEU A 24 -5.233 -5.439 5.225 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.415 -7.112 6.660 1.00 0.00 C ATOM 0 H LEU A 24 -3.053 -5.851 8.236 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.262 -8.422 8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.098 -6.681 5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.165 -8.050 5.700 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.010 -5.655 7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.101 -4.784 5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.330 -4.835 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.336 -6.074 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.267 -6.434 6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.547 -7.789 5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.347 -7.690 7.582 1.00 0.00 H new ATOM 384 N ALA A 25 -1.163 -8.208 6.988 1.00 0.00 N ATOM 385 CA ALA A 25 0.036 -8.989 6.711 1.00 0.00 C ATOM 386 C ALA A 25 0.411 -9.862 7.904 1.00 0.00 C ATOM 387 O ALA A 25 0.545 -11.079 7.778 1.00 0.00 O ATOM 388 CB ALA A 25 1.191 -8.069 6.344 1.00 0.00 C ATOM 0 H ALA A 25 -1.072 -7.211 6.793 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.175 -9.645 5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.080 -8.665 6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.929 -7.492 5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.392 -7.390 7.172 1.00 0.00 H new ATOM 394 N THR A 26 0.581 -9.231 9.062 1.00 0.00 N ATOM 395 CA THR A 26 0.942 -9.950 10.277 1.00 0.00 C ATOM 396 C THR A 26 -0.075 -11.040 10.595 1.00 0.00 C ATOM 397 O THR A 26 0.218 -11.980 11.333 1.00 0.00 O ATOM 398 CB THR A 26 1.050 -8.997 11.483 1.00 0.00 C ATOM 399 OG1 THR A 26 -0.079 -8.117 11.514 1.00 0.00 O ATOM 400 CG2 THR A 26 2.333 -8.182 11.415 1.00 0.00 C ATOM 0 H THR A 26 0.474 -8.224 9.183 1.00 0.00 H new ATOM 0 HA THR A 26 1.915 -10.407 10.096 1.00 0.00 H new ATOM 0 HB THR A 26 1.067 -9.597 12.393 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.054 -7.392 10.868 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.387 -7.516 12.277 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.191 -8.854 11.421 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.341 -7.591 10.499 1.00 0.00 H new ATOM 408 N ASP A 27 -1.272 -10.907 10.033 1.00 0.00 N ATOM 409 CA ASP A 27 -2.333 -11.883 10.255 1.00 0.00 C ATOM 410 C ASP A 27 -2.059 -13.169 9.483 1.00 0.00 C ATOM 411 O ASP A 27 -2.166 -13.206 8.257 1.00 0.00 O ATOM 412 CB ASP A 27 -3.685 -11.301 9.838 1.00 0.00 C ATOM 413 CG ASP A 27 -4.834 -11.870 10.647 1.00 0.00 C ATOM 414 OD1 ASP A 27 -4.775 -13.067 10.999 1.00 0.00 O ATOM 415 OD2 ASP A 27 -5.792 -11.120 10.926 1.00 0.00 O ATOM 0 H ASP A 27 -1.532 -10.133 9.421 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.360 -12.119 11.319 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.663 -10.218 9.956 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.854 -11.503 8.780 1.00 0.00 H new ATOM 420 N LYS A 28 -1.703 -14.224 10.208 1.00 0.00 N ATOM 421 CA LYS A 28 -1.413 -15.514 9.593 1.00 0.00 C ATOM 422 C LYS A 28 -2.481 -15.879 8.567 1.00 0.00 C ATOM 423 O LYS A 28 -2.243 -16.690 7.671 1.00 0.00 O ATOM 424 CB LYS A 28 -1.325 -16.605 10.663 1.00 0.00 C ATOM 425 CG LYS A 28 0.030 -16.679 11.345 1.00 0.00 C ATOM 426 CD LYS A 28 0.011 -17.644 12.519 1.00 0.00 C ATOM 427 CE LYS A 28 -0.708 -17.047 13.719 1.00 0.00 C ATOM 428 NZ LYS A 28 0.179 -16.147 14.506 1.00 0.00 N ATOM 0 H LYS A 28 -1.608 -14.211 11.224 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.453 -15.437 9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.092 -16.426 11.416 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.546 -17.570 10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.784 -16.996 10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.318 -15.687 11.693 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.481 -18.570 12.222 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.033 -17.901 12.797 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.581 -16.490 13.379 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.072 -17.850 14.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.348 -15.761 15.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.999 -16.684 14.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.506 -15.367 13.901 1.00 0.00 H new ATOM 442 N ARG A 29 -3.657 -15.275 8.702 1.00 0.00 N ATOM 443 CA ARG A 29 -4.760 -15.537 7.786 1.00 0.00 C ATOM 444 C ARG A 29 -4.445 -15.009 6.389 1.00 0.00 C ATOM 445 O ARG A 29 -4.729 -15.665 5.387 1.00 0.00 O ATOM 446 CB ARG A 29 -6.047 -14.894 8.307 1.00 0.00 C ATOM 447 CG ARG A 29 -6.701 -15.670 9.438 1.00 0.00 C ATOM 448 CD ARG A 29 -7.427 -16.903 8.922 1.00 0.00 C ATOM 449 NE ARG A 29 -6.501 -17.977 8.574 1.00 0.00 N ATOM 450 CZ ARG A 29 -5.950 -18.791 9.468 1.00 0.00 C ATOM 451 NH1 ARG A 29 -6.231 -18.653 10.757 1.00 0.00 N ATOM 452 NH2 ARG A 29 -5.117 -19.745 9.074 1.00 0.00 N ATOM 0 H ARG A 29 -3.870 -14.601 9.437 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.899 -16.616 7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.825 -13.884 8.652 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.756 -14.801 7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.942 -15.969 10.161 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.405 -15.025 9.963 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.124 -17.257 9.681 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.018 -16.636 8.046 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.264 -18.110 7.591 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.871 -17.921 11.064 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.807 -19.279 11.441 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.899 -19.854 8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.695 -20.369 9.761 1.00 0.00 H new ATOM 466 N PHE A 30 -3.855 -13.819 6.331 1.00 0.00 N ATOM 467 CA PHE A 30 -3.503 -13.203 5.058 1.00 0.00 C ATOM 468 C PHE A 30 -1.988 -13.122 4.894 1.00 0.00 C ATOM 469 O PHE A 30 -1.449 -12.085 4.509 1.00 0.00 O ATOM 470 CB PHE A 30 -4.113 -11.803 4.958 1.00 0.00 C ATOM 471 CG PHE A 30 -5.553 -11.746 5.381 1.00 0.00 C ATOM 472 CD1 PHE A 30 -6.510 -12.509 4.732 1.00 0.00 C ATOM 473 CD2 PHE A 30 -5.950 -10.928 6.427 1.00 0.00 C ATOM 474 CE1 PHE A 30 -7.836 -12.459 5.119 1.00 0.00 C ATOM 475 CE2 PHE A 30 -7.274 -10.875 6.819 1.00 0.00 C ATOM 476 CZ PHE A 30 -8.219 -11.640 6.163 1.00 0.00 C ATOM 0 H PHE A 30 -3.611 -13.263 7.151 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.905 -13.825 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.533 -11.118 5.576 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.030 -11.452 3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.217 -13.150 3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.216 -10.325 6.942 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.572 -13.060 4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.570 -10.236 7.638 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.255 -11.598 6.466 1.00 0.00 H new ATOM 486 N ASN A 31 -1.307 -14.224 5.190 1.00 0.00 N ATOM 487 CA ASN A 31 0.146 -14.278 5.077 1.00 0.00 C ATOM 488 C ASN A 31 0.566 -14.778 3.698 1.00 0.00 C ATOM 489 O ASN A 31 1.589 -14.355 3.159 1.00 0.00 O ATOM 490 CB ASN A 31 0.729 -15.188 6.161 1.00 0.00 C ATOM 491 CG ASN A 31 1.039 -14.436 7.441 1.00 0.00 C ATOM 492 OD1 ASN A 31 0.215 -13.669 7.939 1.00 0.00 O ATOM 493 ND2 ASN A 31 2.234 -14.652 7.979 1.00 0.00 N ATOM 0 H ASN A 31 -1.738 -15.091 5.510 1.00 0.00 H new ATOM 0 HA ASN A 31 0.534 -13.268 5.212 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.024 -15.991 6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.640 -15.656 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.500 -14.173 8.839 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.886 -15.297 7.532 1.00 0.00 H new ATOM 500 N ILE A 32 -0.230 -15.680 3.134 1.00 0.00 N ATOM 501 CA ILE A 32 0.058 -16.236 1.818 1.00 0.00 C ATOM 502 C ILE A 32 0.118 -15.140 0.759 1.00 0.00 C ATOM 503 O ILE A 32 0.566 -15.371 -0.364 1.00 0.00 O ATOM 504 CB ILE A 32 -0.997 -17.278 1.403 1.00 0.00 C ATOM 505 CG1 ILE A 32 -2.356 -16.606 1.197 1.00 0.00 C ATOM 506 CG2 ILE A 32 -1.097 -18.376 2.451 1.00 0.00 C ATOM 507 CD1 ILE A 32 -2.635 -16.238 -0.244 1.00 0.00 C ATOM 0 H ILE A 32 -1.079 -16.041 3.568 1.00 0.00 H new ATOM 0 HA ILE A 32 1.030 -16.724 1.888 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.689 -17.729 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.141 -17.275 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.404 -15.706 1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.847 -19.105 2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.131 -18.870 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.385 -17.941 3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.615 -15.766 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.872 -15.545 -0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.620 -17.138 -0.859 1.00 0.00 H new ATOM 519 N PHE A 33 -0.336 -13.946 1.125 1.00 0.00 N ATOM 520 CA PHE A 33 -0.334 -12.813 0.207 1.00 0.00 C ATOM 521 C PHE A 33 0.948 -11.999 0.351 1.00 0.00 C ATOM 522 O PHE A 33 1.466 -11.459 -0.626 1.00 0.00 O ATOM 523 CB PHE A 33 -1.550 -11.920 0.463 1.00 0.00 C ATOM 524 CG PHE A 33 -2.862 -12.604 0.200 1.00 0.00 C ATOM 525 CD1 PHE A 33 -3.413 -12.608 -1.071 1.00 0.00 C ATOM 526 CD2 PHE A 33 -3.544 -13.241 1.224 1.00 0.00 C ATOM 527 CE1 PHE A 33 -4.620 -13.236 -1.317 1.00 0.00 C ATOM 528 CE2 PHE A 33 -4.750 -13.871 0.984 1.00 0.00 C ATOM 529 CZ PHE A 33 -5.289 -13.868 -0.287 1.00 0.00 C ATOM 0 H PHE A 33 -0.710 -13.738 2.051 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.385 -13.201 -0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.528 -11.578 1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.479 -11.033 -0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.894 -12.115 -1.879 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.128 -13.245 2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.039 -13.232 -2.312 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.271 -14.366 1.790 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.232 -14.359 -0.476 1.00 0.00 H new ATOM 539 N SER A 34 1.454 -11.914 1.577 1.00 0.00 N ATOM 540 CA SER A 34 2.673 -11.163 1.851 1.00 0.00 C ATOM 541 C SER A 34 3.784 -11.557 0.882 1.00 0.00 C ATOM 542 O SER A 34 4.574 -10.718 0.450 1.00 0.00 O ATOM 543 CB SER A 34 3.130 -11.399 3.292 1.00 0.00 C ATOM 544 OG SER A 34 4.258 -10.600 3.607 1.00 0.00 O ATOM 0 H SER A 34 1.038 -12.356 2.397 1.00 0.00 H new ATOM 0 HA SER A 34 2.455 -10.104 1.715 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.315 -11.169 3.978 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.376 -12.452 3.431 1.00 0.00 H new ATOM 0 HG SER A 34 4.529 -10.768 4.534 1.00 0.00 H new ATOM 550 N LYS A 35 3.837 -12.841 0.545 1.00 0.00 N ATOM 551 CA LYS A 35 4.849 -13.349 -0.374 1.00 0.00 C ATOM 552 C LYS A 35 4.307 -13.414 -1.798 1.00 0.00 C ATOM 553 O LYS A 35 3.098 -13.445 -2.027 1.00 0.00 O ATOM 554 CB LYS A 35 5.318 -14.737 0.069 1.00 0.00 C ATOM 555 CG LYS A 35 6.393 -14.703 1.141 1.00 0.00 C ATOM 556 CD LYS A 35 5.790 -14.709 2.536 1.00 0.00 C ATOM 557 CE LYS A 35 6.867 -14.739 3.609 1.00 0.00 C ATOM 558 NZ LYS A 35 7.496 -13.403 3.802 1.00 0.00 N ATOM 0 H LYS A 35 3.191 -13.549 0.894 1.00 0.00 H new ATOM 0 HA LYS A 35 5.696 -12.663 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.462 -15.298 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.699 -15.276 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.051 -15.564 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.008 -13.812 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.168 -13.824 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.139 -15.576 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.432 -15.075 4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.633 -15.465 3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.225 -13.466 4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.933 -13.093 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.770 -12.716 4.089 1.00 0.00 H new ATOM 572 N PRO A 36 5.221 -13.438 -2.779 1.00 0.00 N ATOM 573 CA PRO A 36 4.858 -13.502 -4.198 1.00 0.00 C ATOM 574 C PRO A 36 4.266 -14.853 -4.584 1.00 0.00 C ATOM 575 O PRO A 36 4.994 -15.817 -4.822 1.00 0.00 O ATOM 576 CB PRO A 36 6.192 -13.278 -4.916 1.00 0.00 C ATOM 577 CG PRO A 36 7.226 -13.728 -3.943 1.00 0.00 C ATOM 578 CD PRO A 36 6.680 -13.405 -2.579 1.00 0.00 C ATOM 0 HA PRO A 36 4.091 -12.771 -4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.244 -13.850 -5.842 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.328 -12.230 -5.181 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.418 -14.796 -4.044 1.00 0.00 H new ATOM 0 HG3 PRO A 36 8.173 -13.216 -4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.000 -14.134 -1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.016 -12.428 -2.233 1.00 0.00 H new ATOM 586 N VAL A 37 2.939 -14.916 -4.646 1.00 0.00 N ATOM 587 CA VAL A 37 2.249 -16.149 -5.005 1.00 0.00 C ATOM 588 C VAL A 37 2.360 -16.426 -6.500 1.00 0.00 C ATOM 589 O VAL A 37 1.353 -16.520 -7.201 1.00 0.00 O ATOM 590 CB VAL A 37 0.760 -16.093 -4.614 1.00 0.00 C ATOM 591 CG1 VAL A 37 0.608 -15.761 -3.138 1.00 0.00 C ATOM 592 CG2 VAL A 37 0.021 -15.080 -5.476 1.00 0.00 C ATOM 0 H VAL A 37 2.321 -14.128 -4.452 1.00 0.00 H new ATOM 0 HA VAL A 37 2.733 -16.955 -4.452 1.00 0.00 H new ATOM 0 HB VAL A 37 0.319 -17.074 -4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.450 -15.726 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.102 -16.527 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.064 -14.792 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.029 -15.053 -5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.461 -14.093 -5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.101 -15.367 -6.524 1.00 0.00 H new ATOM 602 N SER A 38 3.592 -16.556 -6.982 1.00 0.00 N ATOM 603 CA SER A 38 3.836 -16.819 -8.395 1.00 0.00 C ATOM 604 C SER A 38 5.149 -17.571 -8.589 1.00 0.00 C ATOM 605 O SER A 38 6.037 -17.521 -7.739 1.00 0.00 O ATOM 606 CB SER A 38 3.866 -15.507 -9.182 1.00 0.00 C ATOM 607 OG SER A 38 3.747 -15.745 -10.574 1.00 0.00 O ATOM 0 H SER A 38 4.436 -16.483 -6.415 1.00 0.00 H new ATOM 0 HA SER A 38 3.023 -17.441 -8.769 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.053 -14.861 -8.849 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.797 -14.978 -8.978 1.00 0.00 H new ATOM 0 HG SER A 38 3.301 -14.983 -10.999 1.00 0.00 H new ATOM 613 N ASP A 39 5.263 -18.268 -9.714 1.00 0.00 N ATOM 614 CA ASP A 39 6.467 -19.031 -10.022 1.00 0.00 C ATOM 615 C ASP A 39 7.678 -18.111 -10.143 1.00 0.00 C ATOM 616 O ASP A 39 8.713 -18.345 -9.520 1.00 0.00 O ATOM 617 CB ASP A 39 6.279 -19.820 -11.319 1.00 0.00 C ATOM 618 CG ASP A 39 7.488 -20.671 -11.659 1.00 0.00 C ATOM 619 OD1 ASP A 39 7.796 -21.600 -10.884 1.00 0.00 O ATOM 620 OD2 ASP A 39 8.125 -20.406 -12.700 1.00 0.00 O ATOM 0 H ASP A 39 4.536 -18.320 -10.428 1.00 0.00 H new ATOM 0 HA ASP A 39 6.644 -19.729 -9.204 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.402 -20.460 -11.228 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.084 -19.127 -12.138 1.00 0.00 H new ATOM 625 N TYR A 40 7.540 -17.064 -10.949 1.00 0.00 N ATOM 626 CA TYR A 40 8.623 -16.110 -11.155 1.00 0.00 C ATOM 627 C TYR A 40 8.125 -14.677 -10.997 1.00 0.00 C ATOM 628 O TYR A 40 6.961 -14.445 -10.667 1.00 0.00 O ATOM 629 CB TYR A 40 9.240 -16.297 -12.542 1.00 0.00 C ATOM 630 CG TYR A 40 10.705 -15.932 -12.608 1.00 0.00 C ATOM 631 CD1 TYR A 40 11.644 -16.600 -11.830 1.00 0.00 C ATOM 632 CD2 TYR A 40 11.152 -14.921 -13.449 1.00 0.00 C ATOM 633 CE1 TYR A 40 12.984 -16.269 -11.887 1.00 0.00 C ATOM 634 CE2 TYR A 40 12.491 -14.584 -13.513 1.00 0.00 C ATOM 635 CZ TYR A 40 13.402 -15.261 -12.730 1.00 0.00 C ATOM 636 OH TYR A 40 14.736 -14.929 -12.790 1.00 0.00 O ATOM 0 H TYR A 40 6.689 -16.855 -11.470 1.00 0.00 H new ATOM 0 HA TYR A 40 9.385 -16.296 -10.398 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.119 -17.337 -12.847 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.690 -15.688 -13.260 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.320 -17.391 -11.170 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.441 -14.389 -14.064 1.00 0.00 H new ATOM 0 HE1 TYR A 40 13.700 -16.797 -11.275 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.822 -13.795 -14.172 1.00 0.00 H new ATOM 0 HH TYR A 40 14.863 -14.200 -13.433 1.00 0.00 H new ATOM 646 N LEU A 41 9.013 -13.719 -11.234 1.00 0.00 N ATOM 647 CA LEU A 41 8.665 -12.307 -11.120 1.00 0.00 C ATOM 648 C LEU A 41 8.557 -11.659 -12.497 1.00 0.00 C ATOM 649 O LEU A 41 7.684 -10.825 -12.733 1.00 0.00 O ATOM 650 CB LEU A 41 9.709 -11.571 -10.278 1.00 0.00 C ATOM 651 CG LEU A 41 11.016 -11.217 -10.988 1.00 0.00 C ATOM 652 CD1 LEU A 41 10.908 -9.857 -11.660 1.00 0.00 C ATOM 653 CD2 LEU A 41 12.179 -11.239 -10.007 1.00 0.00 C ATOM 0 H LEU A 41 9.980 -13.894 -11.507 1.00 0.00 H new ATOM 0 HA LEU A 41 7.695 -12.236 -10.629 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.261 -10.650 -9.904 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.946 -12.186 -9.410 1.00 0.00 H new ATOM 0 HG LEU A 41 11.202 -11.965 -11.758 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.848 -9.623 -12.160 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.102 -9.877 -12.393 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.697 -9.096 -10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.101 -10.985 -10.530 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.000 -10.513 -9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.271 -12.235 -9.574 1.00 0.00 H new ATOM 665 N GLU A 42 9.449 -12.051 -13.401 1.00 0.00 N ATOM 666 CA GLU A 42 9.452 -11.509 -14.755 1.00 0.00 C ATOM 667 C GLU A 42 8.271 -12.047 -15.559 1.00 0.00 C ATOM 668 O GLU A 42 8.032 -11.624 -16.690 1.00 0.00 O ATOM 669 CB GLU A 42 10.764 -11.853 -15.463 1.00 0.00 C ATOM 670 CG GLU A 42 11.988 -11.232 -14.812 1.00 0.00 C ATOM 671 CD GLU A 42 13.271 -11.556 -15.553 1.00 0.00 C ATOM 672 OE1 GLU A 42 13.299 -11.390 -16.791 1.00 0.00 O ATOM 673 OE2 GLU A 42 14.246 -11.976 -14.895 1.00 0.00 O ATOM 0 H GLU A 42 10.178 -12.741 -13.221 1.00 0.00 H new ATOM 0 HA GLU A 42 9.359 -10.425 -14.685 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.883 -12.936 -15.482 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.706 -11.520 -16.499 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.862 -10.150 -14.768 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.067 -11.586 -13.784 1.00 0.00 H new ATOM 680 N VAL A 43 7.536 -12.982 -14.966 1.00 0.00 N ATOM 681 CA VAL A 43 6.380 -13.577 -15.625 1.00 0.00 C ATOM 682 C VAL A 43 5.100 -12.828 -15.273 1.00 0.00 C ATOM 683 O VAL A 43 4.008 -13.211 -15.694 1.00 0.00 O ATOM 684 CB VAL A 43 6.216 -15.060 -15.240 1.00 0.00 C ATOM 685 CG1 VAL A 43 5.605 -15.187 -13.852 1.00 0.00 C ATOM 686 CG2 VAL A 43 5.369 -15.788 -16.273 1.00 0.00 C ATOM 0 H VAL A 43 7.721 -13.344 -14.030 1.00 0.00 H new ATOM 0 HA VAL A 43 6.556 -13.505 -16.698 1.00 0.00 H new ATOM 0 HB VAL A 43 7.202 -15.524 -15.221 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.497 -16.241 -13.597 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.254 -14.702 -13.123 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.626 -14.709 -13.840 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.264 -16.834 -15.985 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.384 -15.325 -16.327 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.852 -15.727 -17.248 1.00 0.00 H new ATOM 696 N ILE A 44 5.242 -11.757 -14.499 1.00 0.00 N ATOM 697 CA ILE A 44 4.097 -10.952 -14.092 1.00 0.00 C ATOM 698 C ILE A 44 4.224 -9.519 -14.597 1.00 0.00 C ATOM 699 O ILE A 44 5.263 -8.880 -14.429 1.00 0.00 O ATOM 700 CB ILE A 44 3.939 -10.933 -12.560 1.00 0.00 C ATOM 701 CG1 ILE A 44 4.074 -12.347 -11.993 1.00 0.00 C ATOM 702 CG2 ILE A 44 2.597 -10.327 -12.173 1.00 0.00 C ATOM 703 CD1 ILE A 44 4.623 -12.384 -10.584 1.00 0.00 C ATOM 0 H ILE A 44 6.138 -11.427 -14.141 1.00 0.00 H new ATOM 0 HA ILE A 44 3.214 -11.413 -14.535 1.00 0.00 H new ATOM 0 HB ILE A 44 4.731 -10.315 -12.136 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.097 -12.830 -12.006 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.726 -12.930 -12.644 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.500 -10.321 -11.087 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.537 -9.306 -12.549 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.792 -10.920 -12.606 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.691 -13.418 -10.247 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.614 -11.931 -10.568 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.960 -11.829 -9.920 1.00 0.00 H new ATOM 715 N LYS A 45 3.160 -9.018 -15.215 1.00 0.00 N ATOM 716 CA LYS A 45 3.150 -7.659 -15.743 1.00 0.00 C ATOM 717 C LYS A 45 2.987 -6.641 -14.619 1.00 0.00 C ATOM 718 O LYS A 45 3.876 -5.827 -14.374 1.00 0.00 O ATOM 719 CB LYS A 45 2.021 -7.494 -16.763 1.00 0.00 C ATOM 720 CG LYS A 45 2.431 -7.837 -18.185 1.00 0.00 C ATOM 721 CD LYS A 45 2.282 -9.323 -18.466 1.00 0.00 C ATOM 722 CE LYS A 45 2.772 -9.678 -19.861 1.00 0.00 C ATOM 723 NZ LYS A 45 1.868 -9.145 -20.918 1.00 0.00 N ATOM 0 H LYS A 45 2.292 -9.534 -15.363 1.00 0.00 H new ATOM 0 HA LYS A 45 4.105 -7.480 -16.236 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.184 -8.129 -16.472 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.665 -6.464 -16.735 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.820 -7.270 -18.887 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.466 -7.537 -18.348 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.844 -9.893 -17.726 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.236 -9.611 -18.362 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.776 -9.279 -20.006 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.843 -10.761 -19.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.198 -9.465 -21.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.901 -9.492 -20.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.873 -8.105 -20.887 1.00 0.00 H new ATOM 737 N GLU A 46 1.846 -6.694 -13.939 1.00 0.00 N ATOM 738 CA GLU A 46 1.568 -5.775 -12.841 1.00 0.00 C ATOM 739 C GLU A 46 1.553 -6.513 -11.506 1.00 0.00 C ATOM 740 O GLU A 46 0.506 -6.707 -10.887 1.00 0.00 O ATOM 741 CB GLU A 46 0.228 -5.071 -13.063 1.00 0.00 C ATOM 742 CG GLU A 46 0.063 -4.501 -14.462 1.00 0.00 C ATOM 743 CD GLU A 46 0.755 -3.162 -14.631 1.00 0.00 C ATOM 744 OE1 GLU A 46 2.001 -3.146 -14.714 1.00 0.00 O ATOM 745 OE2 GLU A 46 0.052 -2.132 -14.681 1.00 0.00 O ATOM 0 H GLU A 46 1.100 -7.363 -14.129 1.00 0.00 H new ATOM 0 HA GLU A 46 2.362 -5.029 -12.815 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.580 -5.777 -12.870 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.127 -4.264 -12.337 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.465 -5.208 -15.188 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.999 -4.388 -14.681 1.00 0.00 H new ATOM 752 N PRO A 47 2.741 -6.935 -11.050 1.00 0.00 N ATOM 753 CA PRO A 47 2.892 -7.658 -9.784 1.00 0.00 C ATOM 754 C PRO A 47 2.634 -6.767 -8.573 1.00 0.00 C ATOM 755 O PRO A 47 3.043 -5.607 -8.547 1.00 0.00 O ATOM 756 CB PRO A 47 4.353 -8.116 -9.809 1.00 0.00 C ATOM 757 CG PRO A 47 5.041 -7.138 -10.697 1.00 0.00 C ATOM 758 CD PRO A 47 4.030 -6.738 -11.735 1.00 0.00 C ATOM 0 HA PRO A 47 2.176 -8.475 -9.694 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.785 -8.115 -8.808 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.443 -9.132 -10.194 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.383 -6.271 -10.132 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.921 -7.584 -11.161 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.164 -5.703 -12.049 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.108 -7.355 -12.630 1.00 0.00 H new ATOM 766 N MET A 48 1.954 -7.318 -7.573 1.00 0.00 N ATOM 767 CA MET A 48 1.644 -6.573 -6.359 1.00 0.00 C ATOM 768 C MET A 48 1.731 -7.474 -5.131 1.00 0.00 C ATOM 769 O MET A 48 1.368 -8.649 -5.185 1.00 0.00 O ATOM 770 CB MET A 48 0.247 -5.957 -6.456 1.00 0.00 C ATOM 771 CG MET A 48 -0.052 -4.950 -5.357 1.00 0.00 C ATOM 772 SD MET A 48 1.162 -3.619 -5.286 1.00 0.00 S ATOM 773 CE MET A 48 0.826 -2.771 -6.827 1.00 0.00 C ATOM 0 H MET A 48 1.607 -8.277 -7.580 1.00 0.00 H new ATOM 0 HA MET A 48 2.379 -5.775 -6.255 1.00 0.00 H new ATOM 0 HB2 MET A 48 0.141 -5.468 -7.424 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.496 -6.754 -6.419 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.043 -4.525 -5.519 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.079 -5.464 -4.396 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.341 -1.810 -6.833 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.179 -3.378 -7.661 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.247 -2.608 -6.926 1.00 0.00 H new ATOM 783 N ASP A 49 2.213 -6.915 -4.026 1.00 0.00 N ATOM 784 CA ASP A 49 2.347 -7.668 -2.784 1.00 0.00 C ATOM 785 C ASP A 49 2.183 -6.754 -1.574 1.00 0.00 C ATOM 786 O ASP A 49 2.565 -5.584 -1.611 1.00 0.00 O ATOM 787 CB ASP A 49 3.706 -8.368 -2.731 1.00 0.00 C ATOM 788 CG ASP A 49 4.807 -7.543 -3.368 1.00 0.00 C ATOM 789 OD1 ASP A 49 4.637 -6.310 -3.479 1.00 0.00 O ATOM 790 OD2 ASP A 49 5.839 -8.129 -3.754 1.00 0.00 O ATOM 0 H ASP A 49 2.517 -5.943 -3.965 1.00 0.00 H new ATOM 0 HA ASP A 49 1.559 -8.420 -2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.965 -8.574 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.636 -9.330 -3.239 1.00 0.00 H new ATOM 795 N LEU A 50 1.612 -7.295 -0.503 1.00 0.00 N ATOM 796 CA LEU A 50 1.397 -6.528 0.719 1.00 0.00 C ATOM 797 C LEU A 50 2.686 -5.850 1.170 1.00 0.00 C ATOM 798 O LEU A 50 2.661 -4.924 1.982 1.00 0.00 O ATOM 799 CB LEU A 50 0.870 -7.438 1.829 1.00 0.00 C ATOM 800 CG LEU A 50 -0.570 -7.926 1.670 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.881 -9.013 2.688 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.545 -6.766 1.812 1.00 0.00 C ATOM 0 H LEU A 50 1.290 -8.262 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 50 0.657 -5.756 0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.522 -8.309 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.949 -6.905 2.777 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.682 -8.349 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.910 -9.348 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.204 -9.855 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.752 -8.616 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.565 -7.132 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.432 -6.314 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.338 -6.020 1.045 1.00 0.00 H new ATOM 814 N SER A 51 3.812 -6.315 0.638 1.00 0.00 N ATOM 815 CA SER A 51 5.112 -5.754 0.987 1.00 0.00 C ATOM 816 C SER A 51 5.313 -4.395 0.325 1.00 0.00 C ATOM 817 O SER A 51 5.440 -3.373 1.001 1.00 0.00 O ATOM 818 CB SER A 51 6.232 -6.709 0.569 1.00 0.00 C ATOM 819 OG SER A 51 5.894 -8.053 0.867 1.00 0.00 O ATOM 0 H SER A 51 3.850 -7.079 -0.037 1.00 0.00 H new ATOM 0 HA SER A 51 5.144 -5.620 2.068 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.422 -6.607 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.155 -6.440 1.084 1.00 0.00 H new ATOM 0 HG SER A 51 6.625 -8.644 0.589 1.00 0.00 H new ATOM 825 N THR A 52 5.341 -4.389 -1.005 1.00 0.00 N ATOM 826 CA THR A 52 5.527 -3.157 -1.760 1.00 0.00 C ATOM 827 C THR A 52 4.558 -2.076 -1.296 1.00 0.00 C ATOM 828 O THR A 52 4.868 -0.885 -1.352 1.00 0.00 O ATOM 829 CB THR A 52 5.334 -3.390 -3.270 1.00 0.00 C ATOM 830 OG1 THR A 52 6.027 -2.381 -4.014 1.00 0.00 O ATOM 831 CG2 THR A 52 3.858 -3.372 -3.636 1.00 0.00 C ATOM 0 H THR A 52 5.237 -5.225 -1.581 1.00 0.00 H new ATOM 0 HA THR A 52 6.550 -2.826 -1.578 1.00 0.00 H new ATOM 0 HB THR A 52 5.742 -4.370 -3.519 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.901 -2.537 -4.973 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.747 -3.539 -4.707 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.338 -4.160 -3.090 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.430 -2.405 -3.373 1.00 0.00 H new ATOM 839 N VAL A 53 3.384 -2.497 -0.838 1.00 0.00 N ATOM 840 CA VAL A 53 2.370 -1.563 -0.362 1.00 0.00 C ATOM 841 C VAL A 53 2.861 -0.795 0.860 1.00 0.00 C ATOM 842 O VAL A 53 2.909 0.436 0.854 1.00 0.00 O ATOM 843 CB VAL A 53 1.060 -2.291 -0.005 1.00 0.00 C ATOM 844 CG1 VAL A 53 0.006 -1.298 0.459 1.00 0.00 C ATOM 845 CG2 VAL A 53 0.559 -3.098 -1.193 1.00 0.00 C ATOM 0 H VAL A 53 3.111 -3.478 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 53 2.178 -0.863 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 53 1.260 -2.981 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.912 -1.831 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.368 -0.769 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.194 -0.581 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.367 -3.606 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.375 -2.430 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.310 -3.837 -1.473 1.00 0.00 H new ATOM 855 N ILE A 54 3.224 -1.528 1.907 1.00 0.00 N ATOM 856 CA ILE A 54 3.713 -0.915 3.136 1.00 0.00 C ATOM 857 C ILE A 54 4.854 0.055 2.850 1.00 0.00 C ATOM 858 O ILE A 54 4.936 1.128 3.448 1.00 0.00 O ATOM 859 CB ILE A 54 4.196 -1.977 4.141 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.046 -2.913 4.520 1.00 0.00 C ATOM 861 CG2 ILE A 54 4.773 -1.310 5.380 1.00 0.00 C ATOM 862 CD1 ILE A 54 3.487 -4.118 5.322 1.00 0.00 C ATOM 0 H ILE A 54 3.189 -2.547 1.929 1.00 0.00 H new ATOM 0 HA ILE A 54 2.876 -0.369 3.571 1.00 0.00 H new ATOM 0 HB ILE A 54 4.982 -2.569 3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.308 -2.354 5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.550 -3.253 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.110 -2.074 6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.617 -0.681 5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.006 -0.696 5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.621 -4.737 5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.203 -4.700 4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.956 -3.787 6.248 1.00 0.00 H new ATOM 874 N THR A 55 5.734 -0.329 1.930 1.00 0.00 N ATOM 875 CA THR A 55 6.870 0.506 1.564 1.00 0.00 C ATOM 876 C THR A 55 6.414 1.771 0.845 1.00 0.00 C ATOM 877 O THR A 55 6.889 2.869 1.137 1.00 0.00 O ATOM 878 CB THR A 55 7.859 -0.255 0.661 1.00 0.00 C ATOM 879 OG1 THR A 55 8.195 -1.514 1.255 1.00 0.00 O ATOM 880 CG2 THR A 55 9.124 0.559 0.436 1.00 0.00 C ATOM 0 H THR A 55 5.681 -1.214 1.425 1.00 0.00 H new ATOM 0 HA THR A 55 7.373 0.779 2.492 1.00 0.00 H new ATOM 0 HB THR A 55 7.380 -0.425 -0.303 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.430 -2.123 1.185 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.807 0.001 -0.204 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.868 1.504 -0.043 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.605 0.756 1.394 1.00 0.00 H new ATOM 888 N LYS A 56 5.490 1.611 -0.096 1.00 0.00 N ATOM 889 CA LYS A 56 4.967 2.740 -0.856 1.00 0.00 C ATOM 890 C LYS A 56 4.323 3.767 0.070 1.00 0.00 C ATOM 891 O LYS A 56 4.392 4.971 -0.180 1.00 0.00 O ATOM 892 CB LYS A 56 3.946 2.257 -1.888 1.00 0.00 C ATOM 893 CG LYS A 56 4.576 1.716 -3.160 1.00 0.00 C ATOM 894 CD LYS A 56 3.561 0.976 -4.015 1.00 0.00 C ATOM 895 CE LYS A 56 2.713 1.939 -4.832 1.00 0.00 C ATOM 896 NZ LYS A 56 1.705 2.642 -3.991 1.00 0.00 N ATOM 0 H LYS A 56 5.087 0.709 -0.351 1.00 0.00 H new ATOM 0 HA LYS A 56 5.800 3.215 -1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.328 1.479 -1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.282 3.083 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.005 2.538 -3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.396 1.045 -2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.079 0.289 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.916 0.373 -3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.359 2.673 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.205 1.392 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.890 2.911 -4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.389 2.011 -3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.132 3.496 -3.579 1.00 0.00 H new ATOM 910 N ILE A 57 3.698 3.284 1.139 1.00 0.00 N ATOM 911 CA ILE A 57 3.045 4.161 2.102 1.00 0.00 C ATOM 912 C ILE A 57 4.054 5.081 2.782 1.00 0.00 C ATOM 913 O ILE A 57 3.817 6.280 2.928 1.00 0.00 O ATOM 914 CB ILE A 57 2.295 3.355 3.179 1.00 0.00 C ATOM 915 CG1 ILE A 57 1.184 2.520 2.541 1.00 0.00 C ATOM 916 CG2 ILE A 57 1.724 4.288 4.237 1.00 0.00 C ATOM 917 CD1 ILE A 57 0.758 1.337 3.382 1.00 0.00 C ATOM 0 H ILE A 57 3.630 2.290 1.359 1.00 0.00 H new ATOM 0 HA ILE A 57 2.327 4.763 1.544 1.00 0.00 H new ATOM 0 HB ILE A 57 3.000 2.678 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.319 3.158 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.523 2.161 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.197 3.704 4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.535 4.843 4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.031 4.987 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.033 0.791 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.611 0.677 3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.388 1.689 4.345 1.00 0.00 H new ATOM 929 N ASP A 58 5.181 4.511 3.193 1.00 0.00 N ATOM 930 CA ASP A 58 6.229 5.279 3.855 1.00 0.00 C ATOM 931 C ASP A 58 7.024 6.099 2.843 1.00 0.00 C ATOM 932 O ASP A 58 7.673 7.083 3.197 1.00 0.00 O ATOM 933 CB ASP A 58 7.167 4.347 4.623 1.00 0.00 C ATOM 934 CG ASP A 58 8.037 5.091 5.617 1.00 0.00 C ATOM 935 OD1 ASP A 58 8.982 5.781 5.180 1.00 0.00 O ATOM 936 OD2 ASP A 58 7.772 4.985 6.833 1.00 0.00 O ATOM 0 H ASP A 58 5.392 3.520 3.079 1.00 0.00 H new ATOM 0 HA ASP A 58 5.754 5.963 4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.577 3.597 5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.803 3.813 3.916 1.00 0.00 H new ATOM 941 N LYS A 59 6.969 5.685 1.581 1.00 0.00 N ATOM 942 CA LYS A 59 7.683 6.380 0.516 1.00 0.00 C ATOM 943 C LYS A 59 6.892 7.590 0.031 1.00 0.00 C ATOM 944 O LYS A 59 7.315 8.294 -0.887 1.00 0.00 O ATOM 945 CB LYS A 59 7.948 5.429 -0.653 1.00 0.00 C ATOM 946 CG LYS A 59 8.996 4.372 -0.352 1.00 0.00 C ATOM 947 CD LYS A 59 10.404 4.917 -0.525 1.00 0.00 C ATOM 948 CE LYS A 59 11.443 3.973 0.061 1.00 0.00 C ATOM 949 NZ LYS A 59 12.772 4.630 0.201 1.00 0.00 N ATOM 0 H LYS A 59 6.437 4.872 1.271 1.00 0.00 H new ATOM 0 HA LYS A 59 8.635 6.727 0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.016 4.936 -0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.268 6.010 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.867 4.011 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.852 3.517 -1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.608 5.072 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.481 5.890 -0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.106 3.623 1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.537 3.095 -0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.453 3.954 0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.105 4.942 -0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.688 5.453 0.831 1.00 0.00 H new ATOM 963 N HIS A 60 5.742 7.829 0.654 1.00 0.00 N ATOM 964 CA HIS A 60 4.893 8.957 0.286 1.00 0.00 C ATOM 965 C HIS A 60 4.271 8.742 -1.091 1.00 0.00 C ATOM 966 O HIS A 60 4.403 9.582 -1.979 1.00 0.00 O ATOM 967 CB HIS A 60 5.700 10.255 0.297 1.00 0.00 C ATOM 968 CG HIS A 60 6.538 10.429 1.527 1.00 0.00 C ATOM 969 ND1 HIS A 60 6.455 9.844 2.745 1.00 0.00 N flip ATOM 970 CD2 HIS A 60 7.610 11.293 1.591 1.00 0.00 C flip ATOM 971 CE1 HIS A 60 7.468 10.360 3.514 1.00 0.00 C flip ATOM 972 NE2 HIS A 60 8.151 11.232 2.794 1.00 0.00 N flip ATOM 0 H HIS A 60 5.377 7.257 1.416 1.00 0.00 H new ATOM 0 HA HIS A 60 4.091 9.031 1.020 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.347 10.278 -0.580 1.00 0.00 H new ATOM 0 HB3 HIS A 60 5.016 11.099 0.211 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.954 11.922 0.783 1.00 0.00 H new ATOM 0 HE1 HIS A 60 7.673 10.096 4.541 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.959 11.767 3.113 1.00 0.00 H new ATOM 981 N ASN A 61 3.593 7.612 -1.259 1.00 0.00 N ATOM 982 CA ASN A 61 2.951 7.287 -2.528 1.00 0.00 C ATOM 983 C ASN A 61 1.438 7.455 -2.431 1.00 0.00 C ATOM 984 O ASN A 61 0.838 8.214 -3.193 1.00 0.00 O ATOM 985 CB ASN A 61 3.291 5.853 -2.942 1.00 0.00 C ATOM 986 CG ASN A 61 4.718 5.717 -3.436 1.00 0.00 C ATOM 987 OD1 ASN A 61 5.677 5.967 -2.552 1.00 0.00 O flip ATOM 988 ND2 ASN A 61 4.955 5.391 -4.600 1.00 0.00 N flip ATOM 0 H ASN A 61 3.474 6.906 -0.533 1.00 0.00 H new ATOM 0 HA ASN A 61 3.327 7.976 -3.284 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.138 5.187 -2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.606 5.532 -3.726 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.186 5.208 -5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.920 5.304 -4.919 1.00 0.00 H new ATOM 995 N TYR A 62 0.828 6.744 -1.490 1.00 0.00 N ATOM 996 CA TYR A 62 -0.615 6.813 -1.294 1.00 0.00 C ATOM 997 C TYR A 62 -1.007 8.104 -0.583 1.00 0.00 C ATOM 998 O TYR A 62 -0.742 8.277 0.608 1.00 0.00 O ATOM 999 CB TYR A 62 -1.100 5.606 -0.489 1.00 0.00 C ATOM 1000 CG TYR A 62 -0.926 4.288 -1.209 1.00 0.00 C ATOM 1001 CD1 TYR A 62 -1.521 4.065 -2.445 1.00 0.00 C ATOM 1002 CD2 TYR A 62 -0.167 3.266 -0.653 1.00 0.00 C ATOM 1003 CE1 TYR A 62 -1.365 2.862 -3.106 1.00 0.00 C ATOM 1004 CE2 TYR A 62 -0.005 2.060 -1.308 1.00 0.00 C ATOM 1005 CZ TYR A 62 -0.606 1.863 -2.533 1.00 0.00 C ATOM 1006 OH TYR A 62 -0.447 0.664 -3.189 1.00 0.00 O ATOM 0 H TYR A 62 1.311 6.113 -0.850 1.00 0.00 H new ATOM 0 HA TYR A 62 -1.090 6.801 -2.275 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.558 5.569 0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.154 5.741 -0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.115 4.845 -2.896 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.304 3.416 0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.835 2.705 -4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.589 1.276 -0.863 1.00 0.00 H new ATOM 0 HH TYR A 62 0.116 0.069 -2.651 1.00 0.00 H new ATOM 1016 N LEU A 63 -1.641 9.009 -1.321 1.00 0.00 N ATOM 1017 CA LEU A 63 -2.072 10.286 -0.762 1.00 0.00 C ATOM 1018 C LEU A 63 -3.559 10.258 -0.424 1.00 0.00 C ATOM 1019 O LEU A 63 -4.058 11.116 0.306 1.00 0.00 O ATOM 1020 CB LEU A 63 -1.782 11.420 -1.747 1.00 0.00 C ATOM 1021 CG LEU A 63 -2.889 11.733 -2.755 1.00 0.00 C ATOM 1022 CD1 LEU A 63 -3.862 12.751 -2.181 1.00 0.00 C ATOM 1023 CD2 LEU A 63 -2.293 12.238 -4.061 1.00 0.00 C ATOM 0 H LEU A 63 -1.868 8.882 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.513 10.460 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.571 12.325 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.875 11.172 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.438 10.814 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.642 12.961 -2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.314 12.351 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.328 13.672 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.095 12.456 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.719 13.145 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.637 11.475 -4.481 1.00 0.00 H new ATOM 1035 N THR A 64 -4.264 9.266 -0.958 1.00 0.00 N ATOM 1036 CA THR A 64 -5.694 9.125 -0.713 1.00 0.00 C ATOM 1037 C THR A 64 -6.028 7.732 -0.193 1.00 0.00 C ATOM 1038 O THR A 64 -5.180 6.840 -0.191 1.00 0.00 O ATOM 1039 CB THR A 64 -6.512 9.394 -1.990 1.00 0.00 C ATOM 1040 OG1 THR A 64 -5.776 8.968 -3.142 1.00 0.00 O ATOM 1041 CG2 THR A 64 -6.849 10.873 -2.115 1.00 0.00 C ATOM 0 H THR A 64 -3.867 8.547 -1.564 1.00 0.00 H new ATOM 0 HA THR A 64 -5.960 9.865 0.042 1.00 0.00 H new ATOM 0 HB THR A 64 -7.442 8.830 -1.925 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.304 9.141 -3.950 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.427 11.039 -3.024 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.434 11.187 -1.251 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.928 11.454 -2.160 1.00 0.00 H new ATOM 1049 N ALA A 65 -7.269 7.551 0.246 1.00 0.00 N ATOM 1050 CA ALA A 65 -7.716 6.265 0.766 1.00 0.00 C ATOM 1051 C ALA A 65 -8.138 5.333 -0.365 1.00 0.00 C ATOM 1052 O ALA A 65 -8.044 4.111 -0.244 1.00 0.00 O ATOM 1053 CB ALA A 65 -8.863 6.461 1.746 1.00 0.00 C ATOM 0 H ALA A 65 -7.983 8.279 0.252 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.880 5.803 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.186 5.492 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.530 7.084 2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.696 6.948 1.239 1.00 0.00 H new ATOM 1059 N LYS A 66 -8.604 5.916 -1.464 1.00 0.00 N ATOM 1060 CA LYS A 66 -9.041 5.138 -2.617 1.00 0.00 C ATOM 1061 C LYS A 66 -7.844 4.590 -3.388 1.00 0.00 C ATOM 1062 O LYS A 66 -7.881 3.468 -3.893 1.00 0.00 O ATOM 1063 CB LYS A 66 -9.905 5.999 -3.541 1.00 0.00 C ATOM 1064 CG LYS A 66 -11.337 6.158 -3.062 1.00 0.00 C ATOM 1065 CD LYS A 66 -11.449 7.221 -1.982 1.00 0.00 C ATOM 1066 CE LYS A 66 -11.489 8.620 -2.579 1.00 0.00 C ATOM 1067 NZ LYS A 66 -12.809 8.921 -3.199 1.00 0.00 N ATOM 0 H LYS A 66 -8.689 6.926 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.633 4.298 -2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.451 6.985 -3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.911 5.555 -4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.976 6.425 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.700 5.206 -2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.350 7.050 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.602 7.139 -1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.278 9.353 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.705 8.717 -3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.939 9.951 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.844 8.515 -4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.567 8.508 -2.619 1.00 0.00 H new ATOM 1081 N ASP A 67 -6.785 5.387 -3.472 1.00 0.00 N ATOM 1082 CA ASP A 67 -5.576 4.980 -4.179 1.00 0.00 C ATOM 1083 C ASP A 67 -4.908 3.800 -3.479 1.00 0.00 C ATOM 1084 O ASP A 67 -4.015 3.160 -4.033 1.00 0.00 O ATOM 1085 CB ASP A 67 -4.597 6.151 -4.276 1.00 0.00 C ATOM 1086 CG ASP A 67 -3.396 5.831 -5.143 1.00 0.00 C ATOM 1087 OD1 ASP A 67 -3.590 5.272 -6.243 1.00 0.00 O ATOM 1088 OD2 ASP A 67 -2.262 6.141 -4.722 1.00 0.00 O ATOM 0 H ASP A 67 -6.739 6.319 -3.059 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.860 4.670 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.114 7.020 -4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.258 6.421 -3.276 1.00 0.00 H new ATOM 1093 N PHE A 68 -5.348 3.518 -2.257 1.00 0.00 N ATOM 1094 CA PHE A 68 -4.792 2.416 -1.479 1.00 0.00 C ATOM 1095 C PHE A 68 -5.636 1.156 -1.642 1.00 0.00 C ATOM 1096 O PHE A 68 -5.116 0.081 -1.946 1.00 0.00 O ATOM 1097 CB PHE A 68 -4.706 2.800 -0.001 1.00 0.00 C ATOM 1098 CG PHE A 68 -4.526 1.622 0.914 1.00 0.00 C ATOM 1099 CD1 PHE A 68 -3.303 0.978 1.003 1.00 0.00 C ATOM 1100 CD2 PHE A 68 -5.581 1.160 1.686 1.00 0.00 C ATOM 1101 CE1 PHE A 68 -3.134 -0.106 1.844 1.00 0.00 C ATOM 1102 CE2 PHE A 68 -5.417 0.077 2.529 1.00 0.00 C ATOM 1103 CZ PHE A 68 -4.193 -0.557 2.607 1.00 0.00 C ATOM 0 H PHE A 68 -6.088 4.037 -1.784 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.789 2.210 -1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.874 3.490 0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.613 3.334 0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.472 1.327 0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.541 1.651 1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.175 -0.599 1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.246 -0.273 3.126 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.064 -1.405 3.264 1.00 0.00 H new ATOM 1113 N LEU A 69 -6.941 1.294 -1.436 1.00 0.00 N ATOM 1114 CA LEU A 69 -7.859 0.167 -1.559 1.00 0.00 C ATOM 1115 C LEU A 69 -7.806 -0.427 -2.962 1.00 0.00 C ATOM 1116 O LEU A 69 -8.009 -1.627 -3.148 1.00 0.00 O ATOM 1117 CB LEU A 69 -9.286 0.609 -1.232 1.00 0.00 C ATOM 1118 CG LEU A 69 -9.642 0.687 0.253 1.00 0.00 C ATOM 1119 CD1 LEU A 69 -10.832 1.609 0.469 1.00 0.00 C ATOM 1120 CD2 LEU A 69 -9.933 -0.701 0.805 1.00 0.00 C ATOM 0 H LEU A 69 -7.387 2.175 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.552 -0.600 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.452 1.590 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.978 -0.081 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.788 1.098 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.071 1.652 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.587 2.609 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.692 1.228 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.184 -0.626 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.771 -1.140 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.053 -1.332 0.685 1.00 0.00 H new ATOM 1132 N LYS A 70 -7.531 0.420 -3.948 1.00 0.00 N ATOM 1133 CA LYS A 70 -7.448 -0.021 -5.336 1.00 0.00 C ATOM 1134 C LYS A 70 -6.281 -0.983 -5.532 1.00 0.00 C ATOM 1135 O LYS A 70 -6.363 -1.919 -6.327 1.00 0.00 O ATOM 1136 CB LYS A 70 -7.291 1.184 -6.266 1.00 0.00 C ATOM 1137 CG LYS A 70 -6.071 2.034 -5.961 1.00 0.00 C ATOM 1138 CD LYS A 70 -5.808 3.048 -7.061 1.00 0.00 C ATOM 1139 CE LYS A 70 -6.980 4.003 -7.232 1.00 0.00 C ATOM 1140 NZ LYS A 70 -7.991 3.474 -8.188 1.00 0.00 N ATOM 0 H LYS A 70 -7.362 1.417 -3.812 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.372 -0.544 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.229 0.832 -7.296 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.183 1.806 -6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.216 2.553 -5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.199 1.391 -5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.907 3.615 -6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.622 2.527 -8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.451 4.177 -6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.614 4.967 -7.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.132 4.158 -8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.657 2.572 -8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.892 3.321 -7.691 1.00 0.00 H new ATOM 1154 N ASP A 71 -5.196 -0.747 -4.802 1.00 0.00 N ATOM 1155 CA ASP A 71 -4.013 -1.595 -4.894 1.00 0.00 C ATOM 1156 C ASP A 71 -4.255 -2.941 -4.218 1.00 0.00 C ATOM 1157 O ASP A 71 -3.740 -3.969 -4.659 1.00 0.00 O ATOM 1158 CB ASP A 71 -2.810 -0.899 -4.256 1.00 0.00 C ATOM 1159 CG ASP A 71 -2.095 0.024 -5.223 1.00 0.00 C ATOM 1160 OD1 ASP A 71 -2.652 1.094 -5.544 1.00 0.00 O ATOM 1161 OD2 ASP A 71 -0.977 -0.325 -5.660 1.00 0.00 O ATOM 0 H ASP A 71 -5.111 0.024 -4.140 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.804 -1.771 -5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.142 -0.326 -3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.110 -1.651 -3.891 1.00 0.00 H new ATOM 1166 N ILE A 72 -5.041 -2.927 -3.147 1.00 0.00 N ATOM 1167 CA ILE A 72 -5.350 -4.146 -2.411 1.00 0.00 C ATOM 1168 C ILE A 72 -6.177 -5.105 -3.260 1.00 0.00 C ATOM 1169 O ILE A 72 -6.041 -6.324 -3.150 1.00 0.00 O ATOM 1170 CB ILE A 72 -6.116 -3.840 -1.110 1.00 0.00 C ATOM 1171 CG1 ILE A 72 -5.215 -3.088 -0.128 1.00 0.00 C ATOM 1172 CG2 ILE A 72 -6.633 -5.126 -0.485 1.00 0.00 C ATOM 1173 CD1 ILE A 72 -3.842 -3.704 0.026 1.00 0.00 C ATOM 0 H ILE A 72 -5.475 -2.085 -2.770 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.398 -4.613 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.970 -3.207 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.106 -2.057 -0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.701 -3.056 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.172 -4.893 0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.305 -5.625 -1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.794 -5.783 -0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.258 -3.119 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.941 -4.726 0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.336 -3.712 -0.940 1.00 0.00 H new ATOM 1185 N ASP A 73 -7.034 -4.548 -4.109 1.00 0.00 N ATOM 1186 CA ASP A 73 -7.881 -5.353 -4.980 1.00 0.00 C ATOM 1187 C ASP A 73 -7.054 -6.032 -6.067 1.00 0.00 C ATOM 1188 O ASP A 73 -7.278 -7.197 -6.397 1.00 0.00 O ATOM 1189 CB ASP A 73 -8.968 -4.484 -5.616 1.00 0.00 C ATOM 1190 CG ASP A 73 -9.807 -5.250 -6.619 1.00 0.00 C ATOM 1191 OD1 ASP A 73 -10.280 -6.354 -6.277 1.00 0.00 O ATOM 1192 OD2 ASP A 73 -9.992 -4.745 -7.747 1.00 0.00 O ATOM 0 H ASP A 73 -7.160 -3.541 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.353 -6.125 -4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.615 -4.086 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.504 -3.631 -6.111 1.00 0.00 H new ATOM 1197 N LEU A 74 -6.098 -5.295 -6.622 1.00 0.00 N ATOM 1198 CA LEU A 74 -5.236 -5.825 -7.673 1.00 0.00 C ATOM 1199 C LEU A 74 -4.551 -7.110 -7.220 1.00 0.00 C ATOM 1200 O LEU A 74 -4.120 -7.919 -8.042 1.00 0.00 O ATOM 1201 CB LEU A 74 -4.187 -4.786 -8.072 1.00 0.00 C ATOM 1202 CG LEU A 74 -3.209 -5.207 -9.170 1.00 0.00 C ATOM 1203 CD1 LEU A 74 -3.946 -5.912 -10.298 1.00 0.00 C ATOM 1204 CD2 LEU A 74 -2.450 -3.999 -9.699 1.00 0.00 C ATOM 0 H LEU A 74 -5.900 -4.329 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.858 -6.054 -8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.704 -3.884 -8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.613 -4.519 -7.185 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.489 -5.904 -8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.235 -6.204 -11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.444 -6.800 -9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.688 -5.238 -10.725 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.759 -4.317 -10.479 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.156 -3.278 -10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.891 -3.536 -8.886 1.00 0.00 H new ATOM 1216 N ILE A 75 -4.455 -7.292 -5.907 1.00 0.00 N ATOM 1217 CA ILE A 75 -3.825 -8.480 -5.345 1.00 0.00 C ATOM 1218 C ILE A 75 -4.738 -9.695 -5.464 1.00 0.00 C ATOM 1219 O ILE A 75 -4.421 -10.655 -6.167 1.00 0.00 O ATOM 1220 CB ILE A 75 -3.455 -8.273 -3.864 1.00 0.00 C ATOM 1221 CG1 ILE A 75 -2.400 -7.173 -3.728 1.00 0.00 C ATOM 1222 CG2 ILE A 75 -2.952 -9.575 -3.257 1.00 0.00 C ATOM 1223 CD1 ILE A 75 -2.091 -6.807 -2.293 1.00 0.00 C ATOM 0 H ILE A 75 -4.805 -6.632 -5.213 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.914 -8.656 -5.918 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.348 -7.963 -3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.482 -7.499 -4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.744 -6.283 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.694 -9.413 -2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.732 -10.334 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.069 -9.912 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.335 -6.022 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.998 -6.451 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.716 -7.685 -1.766 1.00 0.00 H new ATOM 1235 N CYS A 76 -5.872 -9.646 -4.775 1.00 0.00 N ATOM 1236 CA CYS A 76 -6.833 -10.743 -4.804 1.00 0.00 C ATOM 1237 C CYS A 76 -7.125 -11.172 -6.239 1.00 0.00 C ATOM 1238 O CYS A 76 -7.477 -12.324 -6.493 1.00 0.00 O ATOM 1239 CB CYS A 76 -8.131 -10.330 -4.108 1.00 0.00 C ATOM 1240 SG CYS A 76 -8.879 -8.825 -4.774 1.00 0.00 S ATOM 0 H CYS A 76 -6.149 -8.858 -4.189 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.398 -11.589 -4.272 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.849 -11.146 -4.188 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.931 -10.184 -3.046 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.067 -8.279 -5.630 1.00 0.00 H new ATOM 1246 N SER A 77 -6.978 -10.237 -7.172 1.00 0.00 N ATOM 1247 CA SER A 77 -7.231 -10.517 -8.581 1.00 0.00 C ATOM 1248 C SER A 77 -6.032 -11.211 -9.220 1.00 0.00 C ATOM 1249 O SER A 77 -6.189 -12.071 -10.086 1.00 0.00 O ATOM 1250 CB SER A 77 -7.544 -9.221 -9.331 1.00 0.00 C ATOM 1251 OG SER A 77 -6.362 -8.631 -9.845 1.00 0.00 O ATOM 0 H SER A 77 -6.685 -9.279 -6.978 1.00 0.00 H new ATOM 0 HA SER A 77 -8.091 -11.183 -8.646 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.236 -9.428 -10.148 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.042 -8.520 -8.661 1.00 0.00 H new ATOM 0 HG SER A 77 -5.722 -8.493 -9.116 1.00 0.00 H new ATOM 1257 N ASN A 78 -4.835 -10.831 -8.786 1.00 0.00 N ATOM 1258 CA ASN A 78 -3.609 -11.417 -9.316 1.00 0.00 C ATOM 1259 C ASN A 78 -3.498 -12.889 -8.932 1.00 0.00 C ATOM 1260 O ASN A 78 -3.055 -13.717 -9.727 1.00 0.00 O ATOM 1261 CB ASN A 78 -2.389 -10.651 -8.800 1.00 0.00 C ATOM 1262 CG ASN A 78 -2.070 -9.434 -9.647 1.00 0.00 C ATOM 1263 OD1 ASN A 78 -2.788 -9.118 -10.596 1.00 0.00 O ATOM 1264 ND2 ASN A 78 -0.987 -8.744 -9.308 1.00 0.00 N ATOM 0 H ASN A 78 -4.688 -10.120 -8.069 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.643 -11.345 -10.403 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.568 -10.338 -7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.526 -11.316 -8.785 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.722 -7.916 -9.842 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.420 -9.042 -8.514 1.00 0.00 H new ATOM 1271 N ALA A 79 -3.905 -13.207 -7.707 1.00 0.00 N ATOM 1272 CA ALA A 79 -3.855 -14.579 -7.218 1.00 0.00 C ATOM 1273 C ALA A 79 -4.820 -15.473 -7.990 1.00 0.00 C ATOM 1274 O ALA A 79 -4.508 -16.626 -8.292 1.00 0.00 O ATOM 1275 CB ALA A 79 -4.170 -14.621 -5.730 1.00 0.00 C ATOM 0 H ALA A 79 -4.273 -12.533 -7.036 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.845 -14.958 -7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.129 -15.652 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.439 -14.023 -5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.168 -14.218 -5.558 1.00 0.00 H new ATOM 1281 N LEU A 80 -5.993 -14.935 -8.306 1.00 0.00 N ATOM 1282 CA LEU A 80 -7.004 -15.685 -9.043 1.00 0.00 C ATOM 1283 C LEU A 80 -6.679 -15.720 -10.533 1.00 0.00 C ATOM 1284 O LEU A 80 -7.362 -16.384 -11.311 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.386 -15.065 -8.826 1.00 0.00 C ATOM 1286 CG LEU A 80 -8.827 -14.903 -7.371 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -9.890 -13.821 -7.253 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -9.345 -16.223 -6.821 1.00 0.00 C ATOM 0 H LEU A 80 -6.267 -13.983 -8.064 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.007 -16.708 -8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.401 -14.084 -9.301 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.123 -15.680 -9.342 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.962 -14.600 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.192 -13.720 -6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.485 -12.873 -7.607 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.756 -14.094 -7.856 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.654 -16.089 -5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.197 -16.555 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.555 -16.973 -6.870 1.00 0.00 H new ATOM 1300 N GLU A 81 -5.629 -15.002 -10.921 1.00 0.00 N ATOM 1301 CA GLU A 81 -5.213 -14.953 -12.318 1.00 0.00 C ATOM 1302 C GLU A 81 -3.876 -15.663 -12.512 1.00 0.00 C ATOM 1303 O GLU A 81 -3.538 -16.080 -13.620 1.00 0.00 O ATOM 1304 CB GLU A 81 -5.105 -13.501 -12.790 1.00 0.00 C ATOM 1305 CG GLU A 81 -6.407 -12.943 -13.341 1.00 0.00 C ATOM 1306 CD GLU A 81 -6.747 -13.498 -14.710 1.00 0.00 C ATOM 1307 OE1 GLU A 81 -5.833 -14.015 -15.385 1.00 0.00 O ATOM 1308 OE2 GLU A 81 -7.928 -13.415 -15.106 1.00 0.00 O ATOM 0 H GLU A 81 -5.052 -14.447 -10.289 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.968 -15.466 -12.914 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.777 -12.880 -11.956 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.336 -13.434 -13.559 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.217 -13.172 -12.649 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.336 -11.857 -13.401 1.00 0.00 H new ATOM 1315 N TYR A 82 -3.120 -15.795 -11.428 1.00 0.00 N ATOM 1316 CA TYR A 82 -1.819 -16.451 -11.478 1.00 0.00 C ATOM 1317 C TYR A 82 -1.746 -17.595 -10.471 1.00 0.00 C ATOM 1318 O TYR A 82 -1.078 -17.491 -9.444 1.00 0.00 O ATOM 1319 CB TYR A 82 -0.704 -15.441 -11.201 1.00 0.00 C ATOM 1320 CG TYR A 82 -0.525 -14.421 -12.302 1.00 0.00 C ATOM 1321 CD1 TYR A 82 -1.527 -13.505 -12.597 1.00 0.00 C ATOM 1322 CD2 TYR A 82 0.647 -14.372 -13.048 1.00 0.00 C ATOM 1323 CE1 TYR A 82 -1.368 -12.571 -13.603 1.00 0.00 C ATOM 1324 CE2 TYR A 82 0.815 -13.441 -14.054 1.00 0.00 C ATOM 1325 CZ TYR A 82 -0.195 -12.542 -14.328 1.00 0.00 C ATOM 1326 OH TYR A 82 -0.032 -11.614 -15.330 1.00 0.00 O ATOM 0 H TYR A 82 -3.386 -15.456 -10.503 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.687 -16.863 -12.478 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -0.919 -14.922 -10.267 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.234 -15.978 -11.058 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.446 -13.523 -12.030 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.440 -15.074 -12.837 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.158 -11.867 -13.820 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.732 -13.417 -14.623 1.00 0.00 H new ATOM 0 HH TYR A 82 0.850 -11.728 -15.741 1.00 0.00 H new ATOM 1431 N ASP A 90 -5.222 -24.476 -4.515 1.00 0.00 N ATOM 1432 CA ASP A 90 -5.657 -23.149 -4.937 1.00 0.00 C ATOM 1433 C ASP A 90 -7.093 -22.883 -4.496 1.00 0.00 C ATOM 1434 O ASP A 90 -7.499 -21.732 -4.327 1.00 0.00 O ATOM 1435 CB ASP A 90 -5.544 -23.012 -6.456 1.00 0.00 C ATOM 1436 CG ASP A 90 -4.189 -22.487 -6.890 1.00 0.00 C ATOM 1437 OD1 ASP A 90 -3.761 -21.440 -6.360 1.00 0.00 O ATOM 1438 OD2 ASP A 90 -3.557 -23.123 -7.759 1.00 0.00 O ATOM 0 HA ASP A 90 -5.008 -22.412 -4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.720 -23.983 -6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.323 -22.340 -6.816 1.00 0.00 H new ATOM 1443 N LYS A 91 -7.858 -23.953 -4.311 1.00 0.00 N ATOM 1444 CA LYS A 91 -9.249 -23.836 -3.889 1.00 0.00 C ATOM 1445 C LYS A 91 -9.366 -22.981 -2.632 1.00 0.00 C ATOM 1446 O LYS A 91 -10.370 -22.299 -2.425 1.00 0.00 O ATOM 1447 CB LYS A 91 -9.844 -25.223 -3.634 1.00 0.00 C ATOM 1448 CG LYS A 91 -11.349 -25.284 -3.830 1.00 0.00 C ATOM 1449 CD LYS A 91 -11.975 -26.390 -2.997 1.00 0.00 C ATOM 1450 CE LYS A 91 -13.484 -26.228 -2.899 1.00 0.00 C ATOM 1451 NZ LYS A 91 -13.878 -25.400 -1.726 1.00 0.00 N ATOM 0 H LYS A 91 -7.538 -24.912 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.806 -23.350 -4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.369 -25.941 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.606 -25.530 -2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.792 -24.326 -3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.573 -25.449 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.740 -27.358 -3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.542 -26.383 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.860 -25.766 -3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.951 -27.210 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.914 -25.313 -1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.542 -25.853 -0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.454 -24.454 -1.811 1.00 0.00 H new ATOM 1465 N ILE A 92 -8.334 -23.022 -1.796 1.00 0.00 N ATOM 1466 CA ILE A 92 -8.322 -22.249 -0.560 1.00 0.00 C ATOM 1467 C ILE A 92 -8.069 -20.771 -0.839 1.00 0.00 C ATOM 1468 O ILE A 92 -8.938 -19.929 -0.612 1.00 0.00 O ATOM 1469 CB ILE A 92 -7.249 -22.766 0.417 1.00 0.00 C ATOM 1470 CG1 ILE A 92 -7.696 -24.087 1.047 1.00 0.00 C ATOM 1471 CG2 ILE A 92 -6.968 -21.728 1.493 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -7.044 -24.371 2.382 1.00 0.00 C ATOM 0 H ILE A 92 -7.496 -23.582 -1.952 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.305 -22.368 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.328 -22.943 -0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -8.778 -24.071 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.469 -24.903 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.208 -22.108 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.611 -20.809 1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.883 -21.522 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.408 -25.323 2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.962 -24.420 2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.291 -23.575 3.084 1.00 0.00 H new ATOM 1484 N ILE A 93 -6.874 -20.464 -1.333 1.00 0.00 N ATOM 1485 CA ILE A 93 -6.508 -19.088 -1.646 1.00 0.00 C ATOM 1486 C ILE A 93 -7.629 -18.379 -2.399 1.00 0.00 C ATOM 1487 O ILE A 93 -7.797 -17.165 -2.284 1.00 0.00 O ATOM 1488 CB ILE A 93 -5.220 -19.025 -2.487 1.00 0.00 C ATOM 1489 CG1 ILE A 93 -4.030 -19.542 -1.675 1.00 0.00 C ATOM 1490 CG2 ILE A 93 -4.966 -17.603 -2.962 1.00 0.00 C ATOM 1491 CD1 ILE A 93 -2.820 -19.874 -2.521 1.00 0.00 C ATOM 0 H ILE A 93 -6.143 -21.149 -1.525 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.336 -18.583 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.344 -19.662 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.751 -18.791 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.335 -20.433 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.052 -17.575 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.805 -17.268 -3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.859 -16.945 -2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.015 -20.234 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.082 -20.647 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.490 -18.980 -3.050 1.00 0.00 H new ATOM 1503 N ARG A 94 -8.394 -19.145 -3.169 1.00 0.00 N ATOM 1504 CA ARG A 94 -9.499 -18.591 -3.941 1.00 0.00 C ATOM 1505 C ARG A 94 -10.568 -18.010 -3.020 1.00 0.00 C ATOM 1506 O ARG A 94 -11.061 -16.903 -3.244 1.00 0.00 O ATOM 1507 CB ARG A 94 -10.114 -19.667 -4.837 1.00 0.00 C ATOM 1508 CG ARG A 94 -11.060 -19.115 -5.891 1.00 0.00 C ATOM 1509 CD ARG A 94 -11.513 -20.200 -6.856 1.00 0.00 C ATOM 1510 NE ARG A 94 -12.688 -20.914 -6.364 1.00 0.00 N ATOM 1511 CZ ARG A 94 -13.877 -20.345 -6.195 1.00 0.00 C ATOM 1512 NH1 ARG A 94 -14.047 -19.061 -6.478 1.00 0.00 N ATOM 1513 NH2 ARG A 94 -14.898 -21.061 -5.743 1.00 0.00 N ATOM 0 H ARG A 94 -8.269 -20.152 -3.275 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.106 -17.789 -4.566 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -9.313 -20.217 -5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.654 -20.381 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -11.930 -18.672 -5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.564 -18.318 -6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.739 -19.753 -7.824 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.699 -20.907 -7.014 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.591 -21.904 -6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.264 -18.508 -6.826 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -14.961 -18.627 -6.347 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.771 -22.049 -5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.810 -20.623 -5.614 1.00 0.00 H new ATOM 1527 N HIS A 95 -10.922 -18.763 -1.984 1.00 0.00 N ATOM 1528 CA HIS A 95 -11.932 -18.322 -1.028 1.00 0.00 C ATOM 1529 C HIS A 95 -11.439 -17.118 -0.232 1.00 0.00 C ATOM 1530 O HIS A 95 -12.065 -16.058 -0.239 1.00 0.00 O ATOM 1531 CB HIS A 95 -12.297 -19.462 -0.077 1.00 0.00 C ATOM 1532 CG HIS A 95 -13.691 -19.371 0.461 1.00 0.00 C ATOM 1533 ND1 HIS A 95 -14.546 -20.451 0.526 1.00 0.00 N ATOM 1534 CD2 HIS A 95 -14.379 -18.319 0.964 1.00 0.00 C ATOM 1535 CE1 HIS A 95 -15.699 -20.067 1.043 1.00 0.00 C ATOM 1536 NE2 HIS A 95 -15.624 -18.778 1.318 1.00 0.00 N ATOM 0 H HIS A 95 -10.525 -19.681 -1.785 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.820 -18.026 -1.587 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.179 -20.411 -0.599 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -11.595 -19.468 0.756 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -14.016 -17.307 1.068 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -16.558 -20.700 1.212 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -16.370 -18.215 1.727 1.00 0.00 H new ATOM 1545 N ARG A 96 -10.313 -17.289 0.454 1.00 0.00 N ATOM 1546 CA ARG A 96 -9.737 -16.217 1.256 1.00 0.00 C ATOM 1547 C ARG A 96 -9.417 -15.002 0.391 1.00 0.00 C ATOM 1548 O ARG A 96 -9.445 -13.866 0.863 1.00 0.00 O ATOM 1549 CB ARG A 96 -8.470 -16.703 1.961 1.00 0.00 C ATOM 1550 CG ARG A 96 -7.475 -17.376 1.029 1.00 0.00 C ATOM 1551 CD ARG A 96 -6.103 -17.499 1.674 1.00 0.00 C ATOM 1552 NE ARG A 96 -5.968 -18.732 2.444 1.00 0.00 N ATOM 1553 CZ ARG A 96 -6.390 -18.866 3.697 1.00 0.00 C ATOM 1554 NH1 ARG A 96 -6.970 -17.848 4.317 1.00 0.00 N ATOM 1555 NH2 ARG A 96 -6.232 -20.020 4.331 1.00 0.00 N ATOM 0 H ARG A 96 -9.782 -18.160 0.470 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.472 -15.924 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.986 -15.855 2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.748 -17.403 2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.841 -18.366 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.394 -16.802 0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.335 -17.469 0.901 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.932 -16.643 2.327 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.526 -19.534 1.996 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.093 -16.959 3.832 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.293 -17.954 5.279 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.786 -20.805 3.857 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.556 -20.122 5.293 1.00 0.00 H new ATOM 1569 N ALA A 97 -9.111 -15.250 -0.879 1.00 0.00 N ATOM 1570 CA ALA A 97 -8.787 -14.177 -1.810 1.00 0.00 C ATOM 1571 C ALA A 97 -9.848 -13.082 -1.777 1.00 0.00 C ATOM 1572 O ALA A 97 -9.527 -11.896 -1.684 1.00 0.00 O ATOM 1573 CB ALA A 97 -8.639 -14.729 -3.220 1.00 0.00 C ATOM 0 H ALA A 97 -9.081 -16.185 -1.286 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.839 -13.737 -1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.397 -13.917 -3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.840 -15.470 -3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.574 -15.197 -3.528 1.00 0.00 H new ATOM 1579 N CYS A 98 -11.111 -13.486 -1.854 1.00 0.00 N ATOM 1580 CA CYS A 98 -12.219 -12.538 -1.834 1.00 0.00 C ATOM 1581 C CYS A 98 -12.431 -11.978 -0.432 1.00 0.00 C ATOM 1582 O CYS A 98 -12.790 -10.812 -0.264 1.00 0.00 O ATOM 1583 CB CYS A 98 -13.501 -13.210 -2.327 1.00 0.00 C ATOM 1584 SG CYS A 98 -14.927 -12.102 -2.420 1.00 0.00 S ATOM 0 H CYS A 98 -11.393 -14.463 -1.931 1.00 0.00 H new ATOM 0 HA CYS A 98 -11.970 -11.713 -2.501 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -13.319 -13.634 -3.314 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -13.742 -14.040 -1.663 1.00 0.00 H new ATOM 0 HG CYS A 98 -15.962 -12.762 -2.849 1.00 0.00 H new ATOM 1590 N THR A 99 -12.207 -12.817 0.575 1.00 0.00 N ATOM 1591 CA THR A 99 -12.376 -12.407 1.963 1.00 0.00 C ATOM 1592 C THR A 99 -11.468 -11.231 2.304 1.00 0.00 C ATOM 1593 O THR A 99 -11.936 -10.177 2.736 1.00 0.00 O ATOM 1594 CB THR A 99 -12.080 -13.567 2.932 1.00 0.00 C ATOM 1595 OG1 THR A 99 -13.035 -14.618 2.745 1.00 0.00 O ATOM 1596 CG2 THR A 99 -12.118 -13.091 4.376 1.00 0.00 C ATOM 0 H THR A 99 -11.908 -13.785 0.455 1.00 0.00 H new ATOM 0 HA THR A 99 -13.417 -12.104 2.078 1.00 0.00 H new ATOM 0 HB THR A 99 -11.080 -13.943 2.717 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.839 -15.352 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 99 -11.906 -13.928 5.041 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.369 -12.313 4.522 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.106 -12.690 4.601 1.00 0.00 H new ATOM 1604 N LEU A 100 -10.167 -11.418 2.107 1.00 0.00 N ATOM 1605 CA LEU A 100 -9.192 -10.371 2.392 1.00 0.00 C ATOM 1606 C LEU A 100 -9.715 -9.006 1.957 1.00 0.00 C ATOM 1607 O LEU A 100 -9.927 -8.118 2.783 1.00 0.00 O ATOM 1608 CB LEU A 100 -7.870 -10.673 1.686 1.00 0.00 C ATOM 1609 CG LEU A 100 -6.859 -9.526 1.635 1.00 0.00 C ATOM 1610 CD1 LEU A 100 -6.156 -9.375 2.975 1.00 0.00 C ATOM 1611 CD2 LEU A 100 -5.847 -9.756 0.522 1.00 0.00 C ATOM 0 H LEU A 100 -9.763 -12.285 1.751 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.025 -10.348 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.401 -11.522 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.089 -10.983 0.664 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.397 -8.602 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.441 -8.555 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.892 -9.163 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.631 -10.299 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.136 -8.930 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.314 -10.690 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.365 -9.813 -0.435 1.00 0.00 H new ATOM 1623 N LYS A 101 -9.924 -8.846 0.655 1.00 0.00 N ATOM 1624 CA LYS A 101 -10.425 -7.591 0.108 1.00 0.00 C ATOM 1625 C LYS A 101 -11.515 -7.006 1.001 1.00 0.00 C ATOM 1626 O LYS A 101 -11.306 -5.990 1.666 1.00 0.00 O ATOM 1627 CB LYS A 101 -10.972 -7.808 -1.305 1.00 0.00 C ATOM 1628 CG LYS A 101 -11.550 -6.552 -1.933 1.00 0.00 C ATOM 1629 CD LYS A 101 -11.952 -6.787 -3.380 1.00 0.00 C ATOM 1630 CE LYS A 101 -12.291 -5.481 -4.083 1.00 0.00 C ATOM 1631 NZ LYS A 101 -13.675 -5.027 -3.773 1.00 0.00 N ATOM 0 H LYS A 101 -9.754 -9.571 -0.042 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.595 -6.885 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.172 -8.187 -1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.744 -8.576 -1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.419 -6.225 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.815 -5.748 -1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.139 -7.286 -3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.813 -7.455 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.580 -4.711 -3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.184 -5.610 -5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.867 -4.134 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.355 -5.750 -4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.770 -4.879 -2.748 1.00 0.00 H new ATOM 1645 N ASP A 102 -12.675 -7.652 1.012 1.00 0.00 N ATOM 1646 CA ASP A 102 -13.796 -7.197 1.826 1.00 0.00 C ATOM 1647 C ASP A 102 -13.307 -6.618 3.150 1.00 0.00 C ATOM 1648 O ASP A 102 -13.472 -5.428 3.419 1.00 0.00 O ATOM 1649 CB ASP A 102 -14.766 -8.350 2.087 1.00 0.00 C ATOM 1650 CG ASP A 102 -15.985 -7.915 2.877 1.00 0.00 C ATOM 1651 OD1 ASP A 102 -16.399 -6.746 2.731 1.00 0.00 O ATOM 1652 OD2 ASP A 102 -16.524 -8.742 3.641 1.00 0.00 O ATOM 0 H ASP A 102 -12.864 -8.493 0.466 1.00 0.00 H new ATOM 0 HA ASP A 102 -14.316 -6.412 1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -15.086 -8.774 1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.248 -9.141 2.630 1.00 0.00 H new ATOM 1657 N THR A 103 -12.704 -7.469 3.976 1.00 0.00 N ATOM 1658 CA THR A 103 -12.193 -7.043 5.272 1.00 0.00 C ATOM 1659 C THR A 103 -11.613 -5.635 5.199 1.00 0.00 C ATOM 1660 O THR A 103 -12.056 -4.733 5.910 1.00 0.00 O ATOM 1661 CB THR A 103 -11.109 -8.006 5.793 1.00 0.00 C ATOM 1662 OG1 THR A 103 -11.670 -9.307 6.003 1.00 0.00 O ATOM 1663 CG2 THR A 103 -10.507 -7.492 7.091 1.00 0.00 C ATOM 0 H THR A 103 -12.558 -8.457 3.769 1.00 0.00 H new ATOM 0 HA THR A 103 -13.037 -7.050 5.962 1.00 0.00 H new ATOM 0 HB THR A 103 -10.319 -8.068 5.045 1.00 0.00 H new ATOM 0 HG1 THR A 103 -10.975 -9.914 6.332 1.00 0.00 H new ATOM 0 HG21 THR A 103 -9.744 -8.189 7.439 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.055 -6.515 6.921 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.289 -7.404 7.845 1.00 0.00 H new ATOM 1671 N ALA A 104 -10.619 -5.454 4.335 1.00 0.00 N ATOM 1672 CA ALA A 104 -9.981 -4.154 4.168 1.00 0.00 C ATOM 1673 C ALA A 104 -11.001 -3.085 3.792 1.00 0.00 C ATOM 1674 O ALA A 104 -11.113 -2.057 4.461 1.00 0.00 O ATOM 1675 CB ALA A 104 -8.886 -4.236 3.114 1.00 0.00 C ATOM 0 H ALA A 104 -10.239 -6.191 3.741 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.533 -3.871 5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.418 -3.258 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -8.136 -4.963 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.319 -4.545 2.163 1.00 0.00 H new ATOM 1681 N HIS A 105 -11.743 -3.333 2.717 1.00 0.00 N ATOM 1682 CA HIS A 105 -12.754 -2.391 2.253 1.00 0.00 C ATOM 1683 C HIS A 105 -13.742 -2.060 3.368 1.00 0.00 C ATOM 1684 O HIS A 105 -14.462 -1.065 3.297 1.00 0.00 O ATOM 1685 CB HIS A 105 -13.501 -2.965 1.048 1.00 0.00 C ATOM 1686 CG HIS A 105 -12.864 -2.633 -0.266 1.00 0.00 C ATOM 1687 ND1 HIS A 105 -13.267 -1.573 -1.051 1.00 0.00 N ATOM 1688 CD2 HIS A 105 -11.846 -3.226 -0.931 1.00 0.00 C ATOM 1689 CE1 HIS A 105 -12.526 -1.530 -2.143 1.00 0.00 C ATOM 1690 NE2 HIS A 105 -11.655 -2.522 -2.095 1.00 0.00 N ATOM 0 H HIS A 105 -11.663 -4.178 2.152 1.00 0.00 H new ATOM 0 HA HIS A 105 -12.249 -1.472 1.955 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -13.560 -4.049 1.150 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -14.524 -2.588 1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -11.287 -4.092 -0.607 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -12.617 -0.807 -2.940 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -10.955 -2.731 -2.806 1.00 0.00 H new ATOM 1699 N ALA A 106 -13.769 -2.901 4.396 1.00 0.00 N ATOM 1700 CA ALA A 106 -14.667 -2.697 5.527 1.00 0.00 C ATOM 1701 C ALA A 106 -14.016 -1.822 6.593 1.00 0.00 C ATOM 1702 O ALA A 106 -14.659 -0.938 7.161 1.00 0.00 O ATOM 1703 CB ALA A 106 -15.081 -4.035 6.120 1.00 0.00 C ATOM 0 H ALA A 106 -13.180 -3.730 4.470 1.00 0.00 H new ATOM 0 HA ALA A 106 -15.557 -2.182 5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.751 -3.868 6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -15.593 -4.626 5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.196 -4.571 6.461 1.00 0.00 H new ATOM 1709 N ILE A 107 -12.739 -2.074 6.860 1.00 0.00 N ATOM 1710 CA ILE A 107 -12.003 -1.309 7.859 1.00 0.00 C ATOM 1711 C ILE A 107 -11.908 0.161 7.464 1.00 0.00 C ATOM 1712 O ILE A 107 -12.114 1.051 8.290 1.00 0.00 O ATOM 1713 CB ILE A 107 -10.582 -1.867 8.061 1.00 0.00 C ATOM 1714 CG1 ILE A 107 -10.635 -3.190 8.827 1.00 0.00 C ATOM 1715 CG2 ILE A 107 -9.715 -0.857 8.797 1.00 0.00 C ATOM 1716 CD1 ILE A 107 -9.408 -4.052 8.631 1.00 0.00 C ATOM 0 H ILE A 107 -12.193 -2.802 6.399 1.00 0.00 H new ATOM 0 HA ILE A 107 -12.555 -1.397 8.794 1.00 0.00 H new ATOM 0 HB ILE A 107 -10.138 -2.052 7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.756 -2.980 9.890 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -11.516 -3.749 8.510 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.714 -1.267 8.932 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.655 0.063 8.216 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -10.154 -0.643 9.772 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.515 -4.973 9.203 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.297 -4.292 7.574 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.526 -3.512 8.975 1.00 0.00 H new ATOM 1728 N ILE A 108 -11.596 0.409 6.196 1.00 0.00 N ATOM 1729 CA ILE A 108 -11.477 1.771 5.691 1.00 0.00 C ATOM 1730 C ILE A 108 -12.833 2.468 5.664 1.00 0.00 C ATOM 1731 O ILE A 108 -12.977 3.588 6.153 1.00 0.00 O ATOM 1732 CB ILE A 108 -10.871 1.796 4.276 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -9.573 0.986 4.239 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -10.621 3.229 3.832 1.00 0.00 C ATOM 1735 CD1 ILE A 108 -8.402 1.692 4.887 1.00 0.00 C ATOM 0 H ILE A 108 -11.421 -0.316 5.500 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.812 2.303 6.371 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.580 1.341 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.735 0.032 4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.323 0.762 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.192 3.230 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.563 3.777 3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.928 3.708 4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.516 1.060 4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.214 2.633 4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.632 1.892 5.934 1.00 0.00 H new ATOM 1747 N ALA A 109 -13.826 1.796 5.090 1.00 0.00 N ATOM 1748 CA ALA A 109 -15.172 2.349 5.003 1.00 0.00 C ATOM 1749 C ALA A 109 -15.720 2.681 6.386 1.00 0.00 C ATOM 1750 O ALA A 109 -16.410 3.684 6.567 1.00 0.00 O ATOM 1751 CB ALA A 109 -16.096 1.376 4.286 1.00 0.00 C ATOM 0 H ALA A 109 -13.724 0.868 4.679 1.00 0.00 H new ATOM 0 HA ALA A 109 -15.122 3.275 4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -17.098 1.801 4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -15.721 1.193 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -16.132 0.436 4.836 1.00 0.00 H new ATOM 1757 N ALA A 110 -15.409 1.832 7.361 1.00 0.00 N ATOM 1758 CA ALA A 110 -15.870 2.036 8.728 1.00 0.00 C ATOM 1759 C ALA A 110 -15.080 3.146 9.414 1.00 0.00 C ATOM 1760 O ALA A 110 -15.657 4.046 10.022 1.00 0.00 O ATOM 1761 CB ALA A 110 -15.762 0.742 9.520 1.00 0.00 C ATOM 0 H ALA A 110 -14.839 0.996 7.228 1.00 0.00 H new ATOM 0 HA ALA A 110 -16.916 2.340 8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.110 0.909 10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -16.376 -0.025 9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.723 0.414 9.540 1.00 0.00 H new ATOM 1767 N GLU A 111 -13.756 3.073 9.311 1.00 0.00 N ATOM 1768 CA GLU A 111 -12.887 4.071 9.924 1.00 0.00 C ATOM 1769 C GLU A 111 -12.970 5.398 9.174 1.00 0.00 C ATOM 1770 O GLU A 111 -13.572 6.359 9.654 1.00 0.00 O ATOM 1771 CB GLU A 111 -11.440 3.575 9.947 1.00 0.00 C ATOM 1772 CG GLU A 111 -11.206 2.425 10.912 1.00 0.00 C ATOM 1773 CD GLU A 111 -9.772 2.356 11.400 1.00 0.00 C ATOM 1774 OE1 GLU A 111 -9.296 3.350 11.987 1.00 0.00 O ATOM 1775 OE2 GLU A 111 -9.126 1.307 11.194 1.00 0.00 O ATOM 0 H GLU A 111 -13.263 2.334 8.810 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.225 4.230 10.948 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.157 3.259 8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.785 4.403 10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.872 2.532 11.768 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.465 1.486 10.422 1.00 0.00 H new ATOM 1782 N LEU A 112 -12.361 5.442 7.994 1.00 0.00 N ATOM 1783 CA LEU A 112 -12.364 6.651 7.177 1.00 0.00 C ATOM 1784 C LEU A 112 -13.731 7.327 7.211 1.00 0.00 C ATOM 1785 O LEU A 112 -14.766 6.661 7.182 1.00 0.00 O ATOM 1786 CB LEU A 112 -11.985 6.315 5.733 1.00 0.00 C ATOM 1787 CG LEU A 112 -11.546 7.493 4.863 1.00 0.00 C ATOM 1788 CD1 LEU A 112 -10.180 7.999 5.300 1.00 0.00 C ATOM 1789 CD2 LEU A 112 -11.524 7.092 3.395 1.00 0.00 C ATOM 0 H LEU A 112 -11.859 4.655 7.582 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.627 7.341 7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.178 5.582 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -12.840 5.836 5.256 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.267 8.301 4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.884 8.837 4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.228 8.325 6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.448 7.197 5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.209 7.942 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.825 6.268 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.522 6.778 3.089 1.00 0.00 H new ATOM 1801 N ASP A 113 -13.727 8.654 7.271 1.00 0.00 N ATOM 1802 CA ASP A 113 -14.966 9.422 7.305 1.00 0.00 C ATOM 1803 C ASP A 113 -15.221 10.104 5.964 1.00 0.00 C ATOM 1804 O ASP A 113 -14.307 10.327 5.170 1.00 0.00 O ATOM 1805 CB ASP A 113 -14.913 10.467 8.421 1.00 0.00 C ATOM 1806 CG ASP A 113 -15.424 9.929 9.743 1.00 0.00 C ATOM 1807 OD1 ASP A 113 -16.465 9.240 9.740 1.00 0.00 O ATOM 1808 OD2 ASP A 113 -14.782 10.198 10.780 1.00 0.00 O ATOM 0 H ASP A 113 -12.879 9.220 7.297 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.786 8.732 7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -13.886 10.811 8.545 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.506 11.334 8.131 1.00 0.00 H new ATOM 1813 N PRO A 114 -16.492 10.442 5.704 1.00 0.00 N ATOM 1814 CA PRO A 114 -16.897 11.102 4.459 1.00 0.00 C ATOM 1815 C PRO A 114 -16.395 12.539 4.376 1.00 0.00 C ATOM 1816 O PRO A 114 -16.472 13.173 3.324 1.00 0.00 O ATOM 1817 CB PRO A 114 -18.426 11.072 4.523 1.00 0.00 C ATOM 1818 CG PRO A 114 -18.743 11.001 5.977 1.00 0.00 C ATOM 1819 CD PRO A 114 -17.633 10.205 6.605 1.00 0.00 C ATOM 0 HA PRO A 114 -16.484 10.606 3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -18.859 11.962 4.066 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -18.828 10.212 3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -18.802 11.998 6.412 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -19.708 10.523 6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -17.421 10.542 7.620 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -17.883 9.146 6.667 1.00 0.00 H new ATOM 1827 N GLU A 115 -15.881 13.047 5.492 1.00 0.00 N ATOM 1828 CA GLU A 115 -15.367 14.411 5.543 1.00 0.00 C ATOM 1829 C GLU A 115 -13.848 14.426 5.390 1.00 0.00 C ATOM 1830 O GLU A 115 -13.287 15.315 4.750 1.00 0.00 O ATOM 1831 CB GLU A 115 -15.764 15.080 6.860 1.00 0.00 C ATOM 1832 CG GLU A 115 -15.042 14.515 8.072 1.00 0.00 C ATOM 1833 CD GLU A 115 -15.345 15.285 9.343 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -16.433 15.074 9.919 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -14.495 16.098 9.762 1.00 0.00 O ATOM 0 H GLU A 115 -15.810 12.535 6.372 1.00 0.00 H new ATOM 0 HA GLU A 115 -15.804 14.968 4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -15.559 16.148 6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -16.839 14.970 7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -15.328 13.472 8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.967 14.530 7.890 1.00 0.00 H new ATOM 1842 N PHE A 116 -13.190 13.436 5.984 1.00 0.00 N ATOM 1843 CA PHE A 116 -11.737 13.335 5.915 1.00 0.00 C ATOM 1844 C PHE A 116 -11.290 12.833 4.546 1.00 0.00 C ATOM 1845 O PHE A 116 -10.290 13.295 3.999 1.00 0.00 O ATOM 1846 CB PHE A 116 -11.217 12.400 7.009 1.00 0.00 C ATOM 1847 CG PHE A 116 -9.724 12.242 7.003 1.00 0.00 C ATOM 1848 CD1 PHE A 116 -9.093 11.529 5.995 1.00 0.00 C ATOM 1849 CD2 PHE A 116 -8.950 12.806 8.004 1.00 0.00 C ATOM 1850 CE1 PHE A 116 -7.719 11.382 5.988 1.00 0.00 C ATOM 1851 CE2 PHE A 116 -7.575 12.662 8.002 1.00 0.00 C ATOM 1852 CZ PHE A 116 -6.959 11.950 6.991 1.00 0.00 C ATOM 0 H PHE A 116 -13.640 12.693 6.518 1.00 0.00 H new ATOM 0 HA PHE A 116 -11.321 14.331 6.070 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -11.530 12.782 7.981 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -11.678 11.420 6.888 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.682 11.084 5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -9.427 13.365 8.796 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -7.240 10.823 5.198 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -6.984 13.105 8.789 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.885 11.838 6.985 1.00 0.00 H new ATOM 1862 N ASN A 117 -12.040 11.882 3.998 1.00 0.00 N ATOM 1863 CA ASN A 117 -11.721 11.315 2.692 1.00 0.00 C ATOM 1864 C ASN A 117 -11.703 12.398 1.618 1.00 0.00 C ATOM 1865 O ASN A 117 -10.896 12.354 0.690 1.00 0.00 O ATOM 1866 CB ASN A 117 -12.736 10.231 2.323 1.00 0.00 C ATOM 1867 CG ASN A 117 -12.493 9.659 0.939 1.00 0.00 C ATOM 1868 OD1 ASN A 117 -11.812 8.646 0.785 1.00 0.00 O ATOM 1869 ND2 ASN A 117 -13.051 10.309 -0.076 1.00 0.00 N ATOM 0 H ASN A 117 -12.872 11.488 4.437 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.728 10.870 2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -12.689 9.428 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.742 10.648 2.369 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -12.922 9.972 -1.030 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -13.608 11.145 0.099 1.00 0.00 H new ATOM 1876 N LYS A 118 -12.599 13.370 1.751 1.00 0.00 N ATOM 1877 CA LYS A 118 -12.686 14.467 0.794 1.00 0.00 C ATOM 1878 C LYS A 118 -11.471 15.382 0.904 1.00 0.00 C ATOM 1879 O LYS A 118 -11.162 16.134 -0.022 1.00 0.00 O ATOM 1880 CB LYS A 118 -13.967 15.272 1.026 1.00 0.00 C ATOM 1881 CG LYS A 118 -15.228 14.551 0.581 1.00 0.00 C ATOM 1882 CD LYS A 118 -16.479 15.291 1.024 1.00 0.00 C ATOM 1883 CE LYS A 118 -17.733 14.675 0.422 1.00 0.00 C ATOM 1884 NZ LYS A 118 -18.062 15.269 -0.903 1.00 0.00 N ATOM 0 H LYS A 118 -13.276 13.421 2.513 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.708 14.041 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -14.050 15.510 2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -13.893 16.219 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -15.228 14.452 -0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -15.236 13.542 0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -16.549 15.271 2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -16.408 16.338 0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -17.593 13.600 0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -18.572 14.820 1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -18.923 14.823 -1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -18.221 16.291 -0.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -17.273 15.109 -1.561 1.00 0.00 H new ATOM 1898 N LEU A 119 -10.785 15.314 2.039 1.00 0.00 N ATOM 1899 CA LEU A 119 -9.601 16.136 2.268 1.00 0.00 C ATOM 1900 C LEU A 119 -8.379 15.533 1.584 1.00 0.00 C ATOM 1901 O LEU A 119 -7.728 16.186 0.767 1.00 0.00 O ATOM 1902 CB LEU A 119 -9.340 16.281 3.768 1.00 0.00 C ATOM 1903 CG LEU A 119 -10.369 17.097 4.553 1.00 0.00 C ATOM 1904 CD1 LEU A 119 -9.986 17.166 6.023 1.00 0.00 C ATOM 1905 CD2 LEU A 119 -10.500 18.495 3.967 1.00 0.00 C ATOM 0 H LEU A 119 -11.028 14.699 2.815 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.784 17.121 1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.287 15.284 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.361 16.741 3.903 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.336 16.600 4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.729 17.750 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.945 16.158 6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.009 17.639 6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -11.236 19.061 4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.536 19.001 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.822 18.425 2.928 1.00 0.00 H new ATOM 1917 N CYS A 120 -8.074 14.285 1.921 1.00 0.00 N ATOM 1918 CA CYS A 120 -6.930 13.593 1.337 1.00 0.00 C ATOM 1919 C CYS A 120 -6.946 13.703 -0.184 1.00 0.00 C ATOM 1920 O CYS A 120 -5.898 13.829 -0.817 1.00 0.00 O ATOM 1921 CB CYS A 120 -6.930 12.122 1.754 1.00 0.00 C ATOM 1922 SG CYS A 120 -8.298 11.160 1.066 1.00 0.00 S ATOM 0 H CYS A 120 -8.602 13.731 2.595 1.00 0.00 H new ATOM 0 HA CYS A 120 -6.022 14.068 1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -5.989 11.668 1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -6.970 12.064 2.842 1.00 0.00 H new ATOM 0 HG CYS A 120 -9.336 11.928 0.915 1.00 0.00 H new ATOM 1928 N GLU A 121 -8.141 13.653 -0.763 1.00 0.00 N ATOM 1929 CA GLU A 121 -8.292 13.745 -2.211 1.00 0.00 C ATOM 1930 C GLU A 121 -8.253 15.199 -2.671 1.00 0.00 C ATOM 1931 O GLU A 121 -8.053 15.481 -3.852 1.00 0.00 O ATOM 1932 CB GLU A 121 -9.606 13.094 -2.651 1.00 0.00 C ATOM 1933 CG GLU A 121 -10.842 13.810 -2.135 1.00 0.00 C ATOM 1934 CD GLU A 121 -12.123 13.281 -2.752 1.00 0.00 C ATOM 1935 OE1 GLU A 121 -12.232 12.048 -2.923 1.00 0.00 O ATOM 1936 OE2 GLU A 121 -13.014 14.097 -3.062 1.00 0.00 O ATOM 0 H GLU A 121 -9.018 13.549 -0.253 1.00 0.00 H new ATOM 0 HA GLU A 121 -7.459 13.214 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -9.641 13.066 -3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -9.624 12.061 -2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.894 13.703 -1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -10.755 14.876 -2.346 1.00 0.00 H new ATOM 1943 N GLU A 122 -8.447 16.117 -1.729 1.00 0.00 N ATOM 1944 CA GLU A 122 -8.436 17.542 -2.038 1.00 0.00 C ATOM 1945 C GLU A 122 -7.052 17.986 -2.503 1.00 0.00 C ATOM 1946 O GLU A 122 -6.925 18.859 -3.363 1.00 0.00 O ATOM 1947 CB GLU A 122 -8.860 18.356 -0.814 1.00 0.00 C ATOM 1948 CG GLU A 122 -9.119 19.822 -1.118 1.00 0.00 C ATOM 1949 CD GLU A 122 -9.978 20.493 -0.063 1.00 0.00 C ATOM 1950 OE1 GLU A 122 -9.561 20.515 1.114 1.00 0.00 O ATOM 1951 OE2 GLU A 122 -11.065 20.995 -0.414 1.00 0.00 O ATOM 0 H GLU A 122 -8.614 15.899 -0.746 1.00 0.00 H new ATOM 0 HA GLU A 122 -9.147 17.718 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.763 17.916 -0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -8.083 18.283 -0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -8.167 20.347 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -9.609 19.907 -2.088 1.00 0.00 H new ATOM 1958 N ILE A 123 -6.018 17.380 -1.930 1.00 0.00 N ATOM 1959 CA ILE A 123 -4.644 17.712 -2.285 1.00 0.00 C ATOM 1960 C ILE A 123 -4.278 17.146 -3.653 1.00 0.00 C ATOM 1961 O ILE A 123 -3.572 17.785 -4.433 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.648 17.181 -1.238 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -3.993 17.726 0.149 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -2.225 17.558 -1.623 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -4.963 16.855 0.916 1.00 0.00 C ATOM 0 H ILE A 123 -6.106 16.656 -1.217 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.580 18.800 -2.316 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.720 16.094 -1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.075 17.831 0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.419 18.724 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.532 17.176 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.984 17.125 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.138 18.643 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -5.162 17.302 1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.896 16.770 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -4.531 15.864 1.054 1.00 0.00 H new ATOM 1977 N LYS A 124 -4.764 15.943 -3.938 1.00 0.00 N ATOM 1978 CA LYS A 124 -4.492 15.290 -5.213 1.00 0.00 C ATOM 1979 C LYS A 124 -4.981 16.145 -6.378 1.00 0.00 C ATOM 1980 O LYS A 124 -4.463 16.048 -7.490 1.00 0.00 O ATOM 1981 CB LYS A 124 -5.163 13.915 -5.259 1.00 0.00 C ATOM 1982 CG LYS A 124 -4.718 13.061 -6.433 1.00 0.00 C ATOM 1983 CD LYS A 124 -5.084 11.600 -6.230 1.00 0.00 C ATOM 1984 CE LYS A 124 -4.875 10.791 -7.500 1.00 0.00 C ATOM 1985 NZ LYS A 124 -3.430 10.550 -7.773 1.00 0.00 N ATOM 0 H LYS A 124 -5.349 15.400 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.413 15.164 -5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.948 13.384 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -6.244 14.049 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -5.181 13.429 -7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -3.640 13.152 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -4.479 11.181 -5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.125 11.525 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -5.392 9.836 -7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -5.321 11.318 -8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -3.330 9.995 -8.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -2.941 11.461 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -3.010 10.025 -6.980 1.00 0.00 H new