USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 732 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 Single : A 11 HIS : no HE2:sc= -1.87! X(o=-1.9!,f=-1.5) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 164:sc= -1.47 (180deg=-1.98!) USER MOD Single : A 31 CYS SG : rot -26:sc= 0.598 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.569) USER MOD Single : A 54 SER OG : rot -59:sc= 0.435 USER MOD Single : A 56 HIS : no HD1:sc= -1.7! K(o=-1.7!,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.14) USER MOD Single : A 58 MET CE :methyl 176:sc= 0 (180deg=-0.0194) USER MOD Single : A 63 ASN : amide:sc= -0.052 K(o=-0.052,f=-1.6!) USER MOD Single : A 66 HIS : no HD1:sc= -4.02! C(o=-4!,f=-4.7!) USER MOD Single : A 67 SER OG : rot 7:sc= 0.594 USER MOD Single : A 74 THR OG1 : rot -155:sc= -2.63! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 11:sc= 1.02 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 130:sc= -6.31! USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0335 USER MOD Single : A 87 ASN : amide:sc= -1.84! C(o=-1.8!,f=-8.1!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.846 K(o=-0.85,f=-4.2!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.045 25.291 1.982 1.00 0.00 N ATOM 60 CA GLY A 7 2.066 24.045 1.238 1.00 0.00 C ATOM 61 C GLY A 7 3.437 23.398 1.230 1.00 0.00 C ATOM 62 O GLY A 7 4.455 24.082 1.334 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.344 23.354 1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.750 24.233 0.212 1.00 0.00 H new ATOM 66 N PHE A 8 3.464 22.075 1.108 1.00 0.00 N ATOM 67 CA PHE A 8 4.720 21.334 1.090 1.00 0.00 C ATOM 68 C PHE A 8 4.680 20.220 0.048 1.00 0.00 C ATOM 69 O PHE A 8 3.646 19.584 -0.156 1.00 0.00 O ATOM 70 CB PHE A 8 5.009 20.745 2.472 1.00 0.00 C ATOM 71 CG PHE A 8 4.598 21.642 3.604 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.312 22.795 3.887 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.496 21.333 4.385 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.936 23.622 4.929 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.115 22.156 5.428 1.00 0.00 C ATOM 76 CZ PHE A 8 3.835 23.303 5.700 1.00 0.00 C ATOM 0 H PHE A 8 2.630 21.494 1.020 1.00 0.00 H new ATOM 0 HA PHE A 8 5.518 22.027 0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.489 19.792 2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.076 20.536 2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.172 23.051 3.287 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.928 20.438 4.176 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.503 24.517 5.140 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.255 21.902 6.030 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.538 23.949 6.513 1.00 0.00 H new ATOM 86 N ARG A 9 5.812 19.991 -0.609 1.00 0.00 N ATOM 87 CA ARG A 9 5.906 18.956 -1.631 1.00 0.00 C ATOM 88 C ARG A 9 5.624 17.579 -1.037 1.00 0.00 C ATOM 89 O ARG A 9 6.052 17.252 0.070 1.00 0.00 O ATOM 90 CB ARG A 9 7.294 18.970 -2.275 1.00 0.00 C ATOM 91 CG ARG A 9 7.325 18.365 -3.669 1.00 0.00 C ATOM 92 CD ARG A 9 8.681 18.555 -4.329 1.00 0.00 C ATOM 93 NE ARG A 9 9.749 17.891 -3.586 1.00 0.00 N ATOM 94 CZ ARG A 9 10.897 17.508 -4.135 1.00 0.00 C ATOM 95 NH1 ARG A 9 11.124 17.722 -5.423 1.00 0.00 N ATOM 96 NH2 ARG A 9 11.821 16.910 -3.393 1.00 0.00 N ATOM 0 H ARG A 9 6.677 20.508 -0.452 1.00 0.00 H new ATOM 0 HA ARG A 9 5.156 19.165 -2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.651 19.999 -2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.987 18.424 -1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.094 17.301 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.552 18.826 -4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.648 18.162 -5.345 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.901 19.620 -4.406 1.00 0.00 H new ATOM 0 HE ARG A 9 9.606 17.712 -2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.417 18.182 -5.996 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.006 17.427 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.650 16.744 -2.401 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.702 16.616 -3.815 1.00 0.00 H new ATOM 110 N PRO A 10 4.884 16.750 -1.790 1.00 0.00 N ATOM 111 CA PRO A 10 4.527 15.396 -1.359 1.00 0.00 C ATOM 112 C PRO A 10 5.730 14.459 -1.336 1.00 0.00 C ATOM 113 O PRO A 10 6.266 14.095 -2.384 1.00 0.00 O ATOM 114 CB PRO A 10 3.516 14.942 -2.414 1.00 0.00 C ATOM 115 CG PRO A 10 3.846 15.745 -3.625 1.00 0.00 C ATOM 116 CD PRO A 10 4.339 17.073 -3.119 1.00 0.00 C ATOM 0 HA PRO A 10 4.136 15.382 -0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.603 13.874 -2.612 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.493 15.123 -2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.608 15.249 -4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.970 15.870 -4.261 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.101 17.495 -3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.533 17.804 -3.056 1.00 0.00 H new ATOM 124 N HIS A 11 6.150 14.071 -0.136 1.00 0.00 N ATOM 125 CA HIS A 11 7.290 13.175 0.022 1.00 0.00 C ATOM 126 C HIS A 11 6.989 12.090 1.052 1.00 0.00 C ATOM 127 O HIS A 11 6.513 12.377 2.150 1.00 0.00 O ATOM 128 CB HIS A 11 8.531 13.963 0.443 1.00 0.00 C ATOM 129 CG HIS A 11 9.519 13.153 1.224 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.733 12.748 0.711 1.00 0.00 N ATOM 131 CD2 HIS A 11 9.468 12.673 2.489 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.385 12.053 1.626 1.00 0.00 C ATOM 133 NE2 HIS A 11 10.639 11.994 2.714 1.00 0.00 N ATOM 0 H HIS A 11 5.718 14.363 0.741 1.00 0.00 H new ATOM 0 HA HIS A 11 7.481 12.697 -0.939 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.020 14.357 -0.448 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.221 14.819 1.042 1.00 0.00 H new ATOM 0 HD1 HIS A 11 11.074 12.953 -0.228 1.00 0.00 H new ATOM 0 HD2 HIS A 11 8.657 12.801 3.190 1.00 0.00 H new ATOM 0 HE1 HIS A 11 12.362 11.609 1.505 1.00 0.00 H new ATOM 141 N PHE A 12 7.270 10.843 0.689 1.00 0.00 N ATOM 142 CA PHE A 12 7.028 9.714 1.580 1.00 0.00 C ATOM 143 C PHE A 12 8.143 9.588 2.613 1.00 0.00 C ATOM 144 O PHE A 12 9.251 9.152 2.298 1.00 0.00 O ATOM 145 CB PHE A 12 6.913 8.417 0.776 1.00 0.00 C ATOM 146 CG PHE A 12 5.774 8.418 -0.203 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.475 8.194 0.225 1.00 0.00 C ATOM 148 CD2 PHE A 12 6.002 8.641 -1.551 1.00 0.00 C ATOM 149 CE1 PHE A 12 3.424 8.194 -0.673 1.00 0.00 C ATOM 150 CE2 PHE A 12 4.955 8.642 -2.454 1.00 0.00 C ATOM 151 CZ PHE A 12 3.665 8.418 -2.014 1.00 0.00 C ATOM 0 H PHE A 12 7.666 10.589 -0.216 1.00 0.00 H new ATOM 0 HA PHE A 12 6.089 9.892 2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.845 8.249 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.789 7.582 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.281 8.017 1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.009 8.816 -1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.416 8.019 -0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.146 8.818 -3.502 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.846 8.418 -2.718 1.00 0.00 H new ATOM 161 N LEU A 13 7.843 9.973 3.849 1.00 0.00 N ATOM 162 CA LEU A 13 8.820 9.904 4.930 1.00 0.00 C ATOM 163 C LEU A 13 9.390 8.496 5.060 1.00 0.00 C ATOM 164 O LEU A 13 10.604 8.313 5.144 1.00 0.00 O ATOM 165 CB LEU A 13 8.178 10.331 6.252 1.00 0.00 C ATOM 166 CG LEU A 13 7.950 11.832 6.434 1.00 0.00 C ATOM 167 CD1 LEU A 13 7.329 12.117 7.792 1.00 0.00 C ATOM 168 CD2 LEU A 13 9.258 12.593 6.274 1.00 0.00 C ATOM 0 H LEU A 13 6.931 10.336 4.127 1.00 0.00 H new ATOM 0 HA LEU A 13 9.637 10.586 4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.218 9.824 6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.807 9.978 7.069 1.00 0.00 H new ATOM 0 HG LEU A 13 7.258 12.171 5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.174 13.190 7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.371 11.602 7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.996 11.763 8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.077 13.660 6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.972 12.250 7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.663 12.415 5.278 1.00 0.00 H new ATOM 180 N GLN A 14 8.506 7.504 5.074 1.00 0.00 N ATOM 181 CA GLN A 14 8.922 6.111 5.192 1.00 0.00 C ATOM 182 C GLN A 14 8.203 5.240 4.167 1.00 0.00 C ATOM 183 O GLN A 14 6.977 5.261 4.071 1.00 0.00 O ATOM 184 CB GLN A 14 8.647 5.592 6.604 1.00 0.00 C ATOM 185 CG GLN A 14 7.220 5.109 6.806 1.00 0.00 C ATOM 186 CD GLN A 14 6.984 4.552 8.197 1.00 0.00 C ATOM 187 OE1 GLN A 14 7.373 3.423 8.500 1.00 0.00 O ATOM 188 NE2 GLN A 14 6.344 5.342 9.051 1.00 0.00 N ATOM 0 H GLN A 14 7.497 7.639 5.005 1.00 0.00 H new ATOM 0 HA GLN A 14 9.993 6.060 4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.333 4.774 6.822 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.859 6.385 7.321 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.532 5.936 6.628 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.993 4.340 6.067 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.040 6.270 8.757 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.157 5.021 10.001 1.00 0.00 H new ATOM 197 N ALA A 15 8.976 4.473 3.404 1.00 0.00 N ATOM 198 CA ALA A 15 8.412 3.593 2.388 1.00 0.00 C ATOM 199 C ALA A 15 8.855 2.150 2.605 1.00 0.00 C ATOM 200 O ALA A 15 9.980 1.877 3.025 1.00 0.00 O ATOM 201 CB ALA A 15 8.812 4.067 0.998 1.00 0.00 C ATOM 0 H ALA A 15 9.993 4.444 3.470 1.00 0.00 H new ATOM 0 HA ALA A 15 7.326 3.629 2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.384 3.401 0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.441 5.079 0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.898 4.061 0.910 1.00 0.00 H new ATOM 207 N PRO A 16 7.952 1.202 2.313 1.00 0.00 N ATOM 208 CA PRO A 16 8.228 -0.229 2.469 1.00 0.00 C ATOM 209 C PRO A 16 9.238 -0.739 1.447 1.00 0.00 C ATOM 210 O PRO A 16 9.762 0.028 0.641 1.00 0.00 O ATOM 211 CB PRO A 16 6.861 -0.880 2.241 1.00 0.00 C ATOM 212 CG PRO A 16 6.115 0.091 1.393 1.00 0.00 C ATOM 213 CD PRO A 16 6.592 1.455 1.808 1.00 0.00 C ATOM 0 HA PRO A 16 8.667 -0.456 3.440 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.960 -1.845 1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.346 -1.059 3.185 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.309 -0.085 0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.040 -0.008 1.540 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.598 2.151 0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.952 1.888 2.577 1.00 0.00 H new ATOM 221 N GLY A 17 9.506 -2.041 1.485 1.00 0.00 N ATOM 222 CA GLY A 17 10.453 -2.631 0.557 1.00 0.00 C ATOM 223 C GLY A 17 9.979 -3.966 0.017 1.00 0.00 C ATOM 224 O GLY A 17 8.998 -4.031 -0.724 1.00 0.00 O ATOM 0 H GLY A 17 9.084 -2.697 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.619 -1.945 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.412 -2.764 1.057 1.00 0.00 H new ATOM 228 N ASP A 18 10.678 -5.033 0.386 1.00 0.00 N ATOM 229 CA ASP A 18 10.324 -6.374 -0.067 1.00 0.00 C ATOM 230 C ASP A 18 9.768 -7.207 1.083 1.00 0.00 C ATOM 231 O ASP A 18 10.332 -7.228 2.178 1.00 0.00 O ATOM 232 CB ASP A 18 11.544 -7.069 -0.673 1.00 0.00 C ATOM 233 CG ASP A 18 11.167 -8.062 -1.755 1.00 0.00 C ATOM 234 OD1 ASP A 18 10.017 -8.550 -1.738 1.00 0.00 O ATOM 235 OD2 ASP A 18 12.021 -8.351 -2.619 1.00 0.00 O ATOM 0 H ASP A 18 11.493 -4.996 0.998 1.00 0.00 H new ATOM 0 HA ASP A 18 9.552 -6.281 -0.831 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.216 -6.319 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.093 -7.585 0.115 1.00 0.00 H new ATOM 240 N LEU A 19 8.658 -7.891 0.828 1.00 0.00 N ATOM 241 CA LEU A 19 8.024 -8.726 1.843 1.00 0.00 C ATOM 242 C LEU A 19 7.556 -10.049 1.245 1.00 0.00 C ATOM 243 O LEU A 19 7.445 -10.188 0.026 1.00 0.00 O ATOM 244 CB LEU A 19 6.839 -7.989 2.469 1.00 0.00 C ATOM 245 CG LEU A 19 6.942 -6.464 2.510 1.00 0.00 C ATOM 246 CD1 LEU A 19 5.559 -5.837 2.590 1.00 0.00 C ATOM 247 CD2 LEU A 19 7.800 -6.019 3.686 1.00 0.00 C ATOM 0 H LEU A 19 8.178 -7.884 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 19 8.762 -8.939 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.938 -8.257 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.709 -8.352 3.489 1.00 0.00 H new ATOM 0 HG LEU A 19 7.418 -6.127 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.653 -4.751 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.976 -6.128 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.055 -6.181 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.862 -4.931 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.352 -6.368 4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.801 -6.439 3.585 1.00 0.00 H new ATOM 259 N THR A 20 7.281 -11.019 2.111 1.00 0.00 N ATOM 260 CA THR A 20 6.824 -12.331 1.669 1.00 0.00 C ATOM 261 C THR A 20 5.622 -12.797 2.482 1.00 0.00 C ATOM 262 O THR A 20 5.712 -12.972 3.697 1.00 0.00 O ATOM 263 CB THR A 20 7.944 -13.383 1.781 1.00 0.00 C ATOM 264 OG1 THR A 20 9.198 -12.806 1.400 1.00 0.00 O ATOM 265 CG2 THR A 20 7.645 -14.586 0.899 1.00 0.00 C ATOM 0 H THR A 20 7.367 -10.921 3.123 1.00 0.00 H new ATOM 0 HA THR A 20 6.534 -12.229 0.623 1.00 0.00 H new ATOM 0 HB THR A 20 7.998 -13.716 2.818 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.905 -13.481 1.476 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.449 -15.316 0.994 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.704 -15.040 1.210 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.567 -14.265 -0.140 1.00 0.00 H new ATOM 273 N VAL A 21 4.496 -12.997 1.804 1.00 0.00 N ATOM 274 CA VAL A 21 3.276 -13.445 2.464 1.00 0.00 C ATOM 275 C VAL A 21 2.674 -14.650 1.748 1.00 0.00 C ATOM 276 O VAL A 21 2.323 -14.572 0.571 1.00 0.00 O ATOM 277 CB VAL A 21 2.225 -12.321 2.524 1.00 0.00 C ATOM 278 CG1 VAL A 21 0.962 -12.806 3.220 1.00 0.00 C ATOM 279 CG2 VAL A 21 2.794 -11.098 3.227 1.00 0.00 C ATOM 0 H VAL A 21 4.404 -12.856 0.798 1.00 0.00 H new ATOM 0 HA VAL A 21 3.552 -13.729 3.479 1.00 0.00 H new ATOM 0 HB VAL A 21 1.963 -12.038 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.231 -11.998 3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.545 -13.650 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.203 -13.118 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.038 -10.313 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.085 -11.365 4.243 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.667 -10.738 2.682 1.00 0.00 H new ATOM 289 N GLN A 22 2.559 -15.762 2.467 1.00 0.00 N ATOM 290 CA GLN A 22 2.000 -16.983 1.900 1.00 0.00 C ATOM 291 C GLN A 22 0.499 -16.840 1.673 1.00 0.00 C ATOM 292 O GLN A 22 -0.231 -16.389 2.555 1.00 0.00 O ATOM 293 CB GLN A 22 2.279 -18.172 2.821 1.00 0.00 C ATOM 294 CG GLN A 22 2.253 -19.514 2.107 1.00 0.00 C ATOM 295 CD GLN A 22 2.442 -20.682 3.054 1.00 0.00 C ATOM 296 OE1 GLN A 22 1.474 -21.248 3.562 1.00 0.00 O ATOM 297 NE2 GLN A 22 3.695 -21.052 3.296 1.00 0.00 N ATOM 0 H GLN A 22 2.845 -15.842 3.443 1.00 0.00 H new ATOM 0 HA GLN A 22 2.479 -17.159 0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.254 -18.038 3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.540 -18.182 3.622 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.303 -19.625 1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.037 -19.534 1.350 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.468 -20.555 2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.884 -21.833 3.924 1.00 0.00 H new ATOM 306 N GLU A 23 0.045 -17.229 0.486 1.00 0.00 N ATOM 307 CA GLU A 23 -1.370 -17.143 0.144 1.00 0.00 C ATOM 308 C GLU A 23 -2.242 -17.521 1.338 1.00 0.00 C ATOM 309 O GLU A 23 -1.920 -18.441 2.088 1.00 0.00 O ATOM 310 CB GLU A 23 -1.688 -18.055 -1.043 1.00 0.00 C ATOM 311 CG GLU A 23 -3.051 -17.796 -1.661 1.00 0.00 C ATOM 312 CD GLU A 23 -3.613 -19.017 -2.364 1.00 0.00 C ATOM 313 OE1 GLU A 23 -2.996 -19.470 -3.351 1.00 0.00 O ATOM 314 OE2 GLU A 23 -4.671 -19.518 -1.928 1.00 0.00 O ATOM 0 H GLU A 23 0.636 -17.607 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.588 -16.111 -0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.921 -17.924 -1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.638 -19.094 -0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.745 -17.478 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.973 -16.975 -2.373 1.00 0.00 H new ATOM 321 N GLY A 24 -3.348 -16.803 1.507 1.00 0.00 N ATOM 322 CA GLY A 24 -4.249 -17.077 2.611 1.00 0.00 C ATOM 323 C GLY A 24 -3.747 -16.511 3.924 1.00 0.00 C ATOM 324 O GLY A 24 -4.164 -16.947 4.997 1.00 0.00 O ATOM 0 H GLY A 24 -3.636 -16.036 0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.229 -16.656 2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.380 -18.155 2.710 1.00 0.00 H new ATOM 328 N LYS A 25 -2.847 -15.537 3.840 1.00 0.00 N ATOM 329 CA LYS A 25 -2.285 -14.910 5.031 1.00 0.00 C ATOM 330 C LYS A 25 -2.615 -13.421 5.069 1.00 0.00 C ATOM 331 O LYS A 25 -3.129 -12.864 4.097 1.00 0.00 O ATOM 332 CB LYS A 25 -0.768 -15.108 5.069 1.00 0.00 C ATOM 333 CG LYS A 25 -0.348 -16.547 5.313 1.00 0.00 C ATOM 334 CD LYS A 25 -0.625 -16.974 6.745 1.00 0.00 C ATOM 335 CE LYS A 25 0.189 -18.200 7.129 1.00 0.00 C ATOM 336 NZ LYS A 25 0.242 -18.391 8.605 1.00 0.00 N ATOM 0 H LYS A 25 -2.491 -15.165 2.960 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.729 -15.385 5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.342 -14.769 4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.347 -14.478 5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.882 -17.204 4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.715 -16.658 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.390 -16.153 7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.687 -17.190 6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.246 -19.085 6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.202 -18.100 6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.806 -19.237 8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.680 -17.558 9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.723 -18.512 8.974 1.00 0.00 H new ATOM 350 N LEU A 26 -2.316 -12.782 6.194 1.00 0.00 N ATOM 351 CA LEU A 26 -2.579 -11.357 6.357 1.00 0.00 C ATOM 352 C LEU A 26 -1.402 -10.524 5.859 1.00 0.00 C ATOM 353 O LEU A 26 -0.257 -10.755 6.250 1.00 0.00 O ATOM 354 CB LEU A 26 -2.860 -11.035 7.826 1.00 0.00 C ATOM 355 CG LEU A 26 -3.049 -9.556 8.165 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.734 -8.804 8.025 1.00 0.00 C ATOM 357 CD2 LEU A 26 -4.117 -8.937 7.276 1.00 0.00 C ATOM 0 H LEU A 26 -1.891 -13.228 7.007 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.456 -11.105 5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.757 -11.574 8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.036 -11.422 8.426 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.379 -9.480 9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.888 -7.753 8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.997 -9.231 8.705 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.374 -8.888 7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.238 -7.884 7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.817 -9.025 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.063 -9.458 7.427 1.00 0.00 H new ATOM 369 N CYS A 27 -1.691 -9.556 4.997 1.00 0.00 N ATOM 370 CA CYS A 27 -0.657 -8.688 4.446 1.00 0.00 C ATOM 371 C CYS A 27 -0.937 -7.227 4.782 1.00 0.00 C ATOM 372 O CYS A 27 -1.980 -6.685 4.416 1.00 0.00 O ATOM 373 CB CYS A 27 -0.565 -8.868 2.930 1.00 0.00 C ATOM 374 SG CYS A 27 0.358 -7.561 2.087 1.00 0.00 S ATOM 0 H CYS A 27 -2.633 -9.352 4.664 1.00 0.00 H new ATOM 0 HA CYS A 27 0.296 -8.968 4.896 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.093 -9.827 2.717 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.573 -8.910 2.518 1.00 0.00 H new ATOM 0 HG CYS A 27 0.383 -7.802 0.810 1.00 0.00 H new ATOM 380 N ARG A 28 0.000 -6.596 5.482 1.00 0.00 N ATOM 381 CA ARG A 28 -0.148 -5.198 5.870 1.00 0.00 C ATOM 382 C ARG A 28 1.056 -4.378 5.415 1.00 0.00 C ATOM 383 O ARG A 28 2.159 -4.904 5.271 1.00 0.00 O ATOM 384 CB ARG A 28 -0.315 -5.083 7.386 1.00 0.00 C ATOM 385 CG ARG A 28 -0.326 -3.649 7.890 1.00 0.00 C ATOM 386 CD ARG A 28 -0.820 -3.566 9.325 1.00 0.00 C ATOM 387 NE ARG A 28 -0.820 -2.194 9.826 1.00 0.00 N ATOM 388 CZ ARG A 28 0.254 -1.596 10.329 1.00 0.00 C ATOM 389 NH1 ARG A 28 1.408 -2.245 10.396 1.00 0.00 N ATOM 390 NH2 ARG A 28 0.175 -0.345 10.765 1.00 0.00 N ATOM 0 H ARG A 28 0.869 -7.030 5.792 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.039 -4.803 5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.246 -5.569 7.679 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.495 -5.625 7.874 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.679 -3.232 7.826 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.965 -3.042 7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.829 -3.974 9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.188 -4.184 9.962 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.692 -1.666 9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.473 -3.206 10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.231 -1.783 10.783 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.711 0.158 10.714 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.000 0.114 11.151 1.00 0.00 H new ATOM 404 N MET A 29 0.834 -3.087 5.191 1.00 0.00 N ATOM 405 CA MET A 29 1.901 -2.194 4.754 1.00 0.00 C ATOM 406 C MET A 29 1.873 -0.887 5.540 1.00 0.00 C ATOM 407 O MET A 29 0.828 -0.479 6.047 1.00 0.00 O ATOM 408 CB MET A 29 1.772 -1.904 3.257 1.00 0.00 C ATOM 409 CG MET A 29 2.226 -3.056 2.374 1.00 0.00 C ATOM 410 SD MET A 29 2.340 -2.594 0.635 1.00 0.00 S ATOM 411 CE MET A 29 1.243 -3.798 -0.108 1.00 0.00 C ATOM 0 H MET A 29 -0.074 -2.636 5.305 1.00 0.00 H new ATOM 0 HA MET A 29 2.854 -2.690 4.941 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.732 -1.670 3.029 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.359 -1.018 3.015 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.198 -3.410 2.716 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.529 -3.887 2.480 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.983 -3.479 -1.117 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.741 -4.767 -0.151 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.336 -3.883 0.491 1.00 0.00 H new ATOM 421 N ASP A 30 3.027 -0.236 5.639 1.00 0.00 N ATOM 422 CA ASP A 30 3.134 1.025 6.363 1.00 0.00 C ATOM 423 C ASP A 30 3.887 2.064 5.538 1.00 0.00 C ATOM 424 O ASP A 30 4.951 1.780 4.987 1.00 0.00 O ATOM 425 CB ASP A 30 3.841 0.810 7.703 1.00 0.00 C ATOM 426 CG ASP A 30 5.228 0.222 7.537 1.00 0.00 C ATOM 427 OD1 ASP A 30 5.341 -0.886 6.971 1.00 0.00 O ATOM 428 OD2 ASP A 30 6.202 0.871 7.973 1.00 0.00 O ATOM 0 H ASP A 30 3.902 -0.561 5.227 1.00 0.00 H new ATOM 0 HA ASP A 30 2.126 1.396 6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.914 1.762 8.229 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.240 0.147 8.325 1.00 0.00 H new ATOM 433 N CYS A 31 3.328 3.266 5.456 1.00 0.00 N ATOM 434 CA CYS A 31 3.945 4.347 4.696 1.00 0.00 C ATOM 435 C CYS A 31 3.405 5.702 5.141 1.00 0.00 C ATOM 436 O CYS A 31 2.197 5.880 5.297 1.00 0.00 O ATOM 437 CB CYS A 31 3.698 4.152 3.200 1.00 0.00 C ATOM 438 SG CYS A 31 1.955 4.225 2.724 1.00 0.00 S ATOM 0 H CYS A 31 2.448 3.517 5.907 1.00 0.00 H new ATOM 0 HA CYS A 31 5.018 4.324 4.885 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.246 4.916 2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.106 3.187 2.898 1.00 0.00 H new ATOM 0 HG CYS A 31 1.214 3.888 3.738 1.00 0.00 H new ATOM 444 N LYS A 32 4.308 6.655 5.346 1.00 0.00 N ATOM 445 CA LYS A 32 3.924 7.994 5.774 1.00 0.00 C ATOM 446 C LYS A 32 4.326 9.034 4.732 1.00 0.00 C ATOM 447 O LYS A 32 5.455 9.031 4.241 1.00 0.00 O ATOM 448 CB LYS A 32 4.572 8.328 7.119 1.00 0.00 C ATOM 449 CG LYS A 32 4.205 9.705 7.646 1.00 0.00 C ATOM 450 CD LYS A 32 5.095 10.112 8.809 1.00 0.00 C ATOM 451 CE LYS A 32 4.629 9.485 10.114 1.00 0.00 C ATOM 452 NZ LYS A 32 5.164 10.210 11.300 1.00 0.00 N ATOM 0 H LYS A 32 5.312 6.524 5.222 1.00 0.00 H new ATOM 0 HA LYS A 32 2.840 8.016 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.276 7.577 7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.655 8.264 7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.294 10.438 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.163 9.707 7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.122 9.810 8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.095 11.198 8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.540 9.486 10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.948 8.443 10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.824 9.752 12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.204 10.187 11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.839 11.198 11.279 1.00 0.00 H new ATOM 466 N VAL A 33 3.395 9.924 4.401 1.00 0.00 N ATOM 467 CA VAL A 33 3.654 10.971 3.420 1.00 0.00 C ATOM 468 C VAL A 33 3.325 12.348 3.986 1.00 0.00 C ATOM 469 O VAL A 33 2.283 12.540 4.613 1.00 0.00 O ATOM 470 CB VAL A 33 2.837 10.749 2.133 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.346 10.764 2.437 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.188 11.800 1.092 1.00 0.00 C ATOM 0 H VAL A 33 2.455 9.941 4.798 1.00 0.00 H new ATOM 0 HA VAL A 33 4.716 10.924 3.180 1.00 0.00 H new ATOM 0 HB VAL A 33 3.090 9.770 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.785 10.606 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.111 9.970 3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.072 11.727 2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.602 11.628 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.965 12.791 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.249 11.735 0.853 1.00 0.00 H new ATOM 482 N SER A 34 4.220 13.303 3.760 1.00 0.00 N ATOM 483 CA SER A 34 4.027 14.663 4.251 1.00 0.00 C ATOM 484 C SER A 34 3.624 15.598 3.115 1.00 0.00 C ATOM 485 O SER A 34 4.060 15.434 1.976 1.00 0.00 O ATOM 486 CB SER A 34 5.306 15.173 4.918 1.00 0.00 C ATOM 487 OG SER A 34 5.069 16.383 5.617 1.00 0.00 O ATOM 0 H SER A 34 5.086 13.161 3.240 1.00 0.00 H new ATOM 0 HA SER A 34 3.224 14.647 4.987 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.686 14.419 5.608 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.076 15.330 4.163 1.00 0.00 H new ATOM 0 HG SER A 34 5.901 16.687 6.036 1.00 0.00 H new ATOM 493 N GLY A 35 2.788 16.582 3.435 1.00 0.00 N ATOM 494 CA GLY A 35 2.339 17.529 2.432 1.00 0.00 C ATOM 495 C GLY A 35 1.150 18.346 2.897 1.00 0.00 C ATOM 496 O GLY A 35 0.454 17.963 3.837 1.00 0.00 O ATOM 0 H GLY A 35 2.414 16.740 4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.159 18.200 2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.073 16.991 1.522 1.00 0.00 H new ATOM 500 N LEU A 36 0.917 19.476 2.238 1.00 0.00 N ATOM 501 CA LEU A 36 -0.196 20.351 2.590 1.00 0.00 C ATOM 502 C LEU A 36 -0.696 21.115 1.369 1.00 0.00 C ATOM 503 O LEU A 36 0.058 21.815 0.693 1.00 0.00 O ATOM 504 CB LEU A 36 0.228 21.334 3.683 1.00 0.00 C ATOM 505 CG LEU A 36 -0.906 22.034 4.433 1.00 0.00 C ATOM 506 CD1 LEU A 36 -1.380 21.182 5.600 1.00 0.00 C ATOM 507 CD2 LEU A 36 -0.457 23.405 4.919 1.00 0.00 C ATOM 0 H LEU A 36 1.484 19.808 1.457 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.010 19.730 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.840 20.798 4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.863 22.096 3.232 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.741 22.169 3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.187 21.696 6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.742 20.224 5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.552 21.015 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.276 23.889 5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.394 23.292 5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.167 24.017 4.065 1.00 0.00 H new ATOM 519 N PRO A 37 -1.998 20.981 1.078 1.00 0.00 N ATOM 520 CA PRO A 37 -2.905 20.150 1.875 1.00 0.00 C ATOM 521 C PRO A 37 -2.616 18.661 1.718 1.00 0.00 C ATOM 522 O PRO A 37 -1.723 18.267 0.967 1.00 0.00 O ATOM 523 CB PRO A 37 -4.287 20.489 1.309 1.00 0.00 C ATOM 524 CG PRO A 37 -4.024 20.944 -0.085 1.00 0.00 C ATOM 525 CD PRO A 37 -2.686 21.630 -0.051 1.00 0.00 C ATOM 0 HA PRO A 37 -2.806 20.348 2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.945 19.620 1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.774 21.269 1.895 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.013 20.100 -0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.803 21.625 -0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.141 21.494 -0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.789 22.704 0.105 1.00 0.00 H new ATOM 533 N THR A 38 -3.378 17.836 2.430 1.00 0.00 N ATOM 534 CA THR A 38 -3.203 16.390 2.370 1.00 0.00 C ATOM 535 C THR A 38 -2.981 15.923 0.936 1.00 0.00 C ATOM 536 O THR A 38 -3.788 16.179 0.042 1.00 0.00 O ATOM 537 CB THR A 38 -4.421 15.652 2.956 1.00 0.00 C ATOM 538 OG1 THR A 38 -4.713 16.152 4.266 1.00 0.00 O ATOM 539 CG2 THR A 38 -4.165 14.154 3.024 1.00 0.00 C ATOM 0 H THR A 38 -4.122 18.145 3.055 1.00 0.00 H new ATOM 0 HA THR A 38 -2.323 16.153 2.967 1.00 0.00 H new ATOM 0 HB THR A 38 -5.275 15.829 2.302 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.490 15.679 4.631 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.039 13.654 3.441 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.972 13.772 2.021 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.300 13.961 3.658 1.00 0.00 H new ATOM 547 N PRO A 39 -1.861 15.220 0.709 1.00 0.00 N ATOM 548 CA PRO A 39 -1.508 14.700 -0.616 1.00 0.00 C ATOM 549 C PRO A 39 -2.427 13.566 -1.057 1.00 0.00 C ATOM 550 O PRO A 39 -2.581 12.568 -0.353 1.00 0.00 O ATOM 551 CB PRO A 39 -0.079 14.186 -0.426 1.00 0.00 C ATOM 552 CG PRO A 39 0.022 13.875 1.028 1.00 0.00 C ATOM 553 CD PRO A 39 -0.855 14.877 1.727 1.00 0.00 C ATOM 0 HA PRO A 39 -1.603 15.461 -1.391 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.107 13.301 -1.034 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.654 14.936 -0.722 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.308 12.857 1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.053 13.951 1.373 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.315 14.454 2.620 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.290 15.753 2.044 1.00 0.00 H new ATOM 561 N ASP A 40 -3.036 13.726 -2.227 1.00 0.00 N ATOM 562 CA ASP A 40 -3.939 12.714 -2.764 1.00 0.00 C ATOM 563 C ASP A 40 -3.169 11.665 -3.559 1.00 0.00 C ATOM 564 O ASP A 40 -2.750 11.911 -4.691 1.00 0.00 O ATOM 565 CB ASP A 40 -5.000 13.367 -3.652 1.00 0.00 C ATOM 566 CG ASP A 40 -4.431 14.477 -4.513 1.00 0.00 C ATOM 567 OD1 ASP A 40 -4.180 15.576 -3.976 1.00 0.00 O ATOM 568 OD2 ASP A 40 -4.236 14.247 -5.725 1.00 0.00 O ATOM 0 H ASP A 40 -2.921 14.547 -2.822 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.431 12.220 -1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.450 12.609 -4.293 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.796 13.769 -3.026 1.00 0.00 H new ATOM 573 N LEU A 41 -2.983 10.494 -2.959 1.00 0.00 N ATOM 574 CA LEU A 41 -2.262 9.406 -3.610 1.00 0.00 C ATOM 575 C LEU A 41 -3.221 8.307 -4.055 1.00 0.00 C ATOM 576 O LEU A 41 -4.322 8.175 -3.520 1.00 0.00 O ATOM 577 CB LEU A 41 -1.209 8.828 -2.663 1.00 0.00 C ATOM 578 CG LEU A 41 -1.738 8.204 -1.371 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.793 7.121 -0.875 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.935 9.272 -0.305 1.00 0.00 C ATOM 0 H LEU A 41 -3.322 10.274 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.766 9.808 -4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.641 8.070 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.511 9.623 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.704 7.745 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.186 6.689 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.703 6.342 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.188 7.555 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.312 8.810 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.982 9.760 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.652 10.012 -0.660 1.00 0.00 H new ATOM 592 N SER A 42 -2.794 7.517 -5.035 1.00 0.00 N ATOM 593 CA SER A 42 -3.615 6.430 -5.554 1.00 0.00 C ATOM 594 C SER A 42 -2.794 5.152 -5.701 1.00 0.00 C ATOM 595 O SER A 42 -1.710 5.161 -6.284 1.00 0.00 O ATOM 596 CB SER A 42 -4.221 6.818 -6.904 1.00 0.00 C ATOM 597 OG SER A 42 -5.445 7.511 -6.733 1.00 0.00 O ATOM 0 H SER A 42 -1.884 7.610 -5.486 1.00 0.00 H new ATOM 0 HA SER A 42 -4.420 6.245 -4.843 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.519 7.444 -7.455 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.387 5.922 -7.503 1.00 0.00 H new ATOM 0 HG SER A 42 -5.811 7.749 -7.610 1.00 0.00 H new ATOM 603 N TRP A 43 -3.319 4.055 -5.168 1.00 0.00 N ATOM 604 CA TRP A 43 -2.636 2.768 -5.239 1.00 0.00 C ATOM 605 C TRP A 43 -2.781 2.151 -6.626 1.00 0.00 C ATOM 606 O TRP A 43 -3.804 2.324 -7.287 1.00 0.00 O ATOM 607 CB TRP A 43 -3.192 1.813 -4.182 1.00 0.00 C ATOM 608 CG TRP A 43 -2.789 2.175 -2.784 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.518 2.897 -1.883 1.00 0.00 C ATOM 610 CD2 TRP A 43 -1.562 1.833 -2.130 1.00 0.00 C ATOM 611 NE1 TRP A 43 -2.817 3.025 -0.707 1.00 0.00 N ATOM 612 CE2 TRP A 43 -1.615 2.380 -0.833 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.425 1.117 -2.513 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -0.574 2.233 0.079 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.607 0.972 -1.606 1.00 0.00 C ATOM 616 CH2 TRP A 43 0.527 1.527 -0.322 1.00 0.00 C ATOM 0 H TRP A 43 -4.215 4.030 -4.682 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.577 2.936 -5.045 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.280 1.803 -4.248 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.850 0.801 -4.401 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.500 3.307 -2.067 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.140 3.520 0.124 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.354 0.685 -3.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.633 2.661 1.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.491 0.421 -1.892 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.350 1.395 0.364 1.00 0.00 H new ATOM 627 N GLN A 44 -1.751 1.431 -7.059 1.00 0.00 N ATOM 628 CA GLN A 44 -1.765 0.789 -8.368 1.00 0.00 C ATOM 629 C GLN A 44 -1.087 -0.576 -8.313 1.00 0.00 C ATOM 630 O GLN A 44 0.049 -0.698 -7.851 1.00 0.00 O ATOM 631 CB GLN A 44 -1.070 1.676 -9.402 1.00 0.00 C ATOM 632 CG GLN A 44 -1.627 3.089 -9.465 1.00 0.00 C ATOM 633 CD GLN A 44 -0.998 3.916 -10.569 1.00 0.00 C ATOM 634 OE1 GLN A 44 0.035 3.544 -11.128 1.00 0.00 O ATOM 635 NE2 GLN A 44 -1.620 5.044 -10.891 1.00 0.00 N ATOM 0 H GLN A 44 -0.897 1.278 -6.523 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.805 0.646 -8.663 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.006 1.724 -9.171 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.162 1.214 -10.385 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.705 3.044 -9.619 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.463 3.583 -8.507 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.473 5.313 -10.402 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.244 5.641 -11.628 1.00 0.00 H new ATOM 644 N LEU A 45 -1.789 -1.600 -8.785 1.00 0.00 N ATOM 645 CA LEU A 45 -1.254 -2.957 -8.789 1.00 0.00 C ATOM 646 C LEU A 45 -1.175 -3.507 -10.209 1.00 0.00 C ATOM 647 O LEU A 45 -2.193 -3.657 -10.885 1.00 0.00 O ATOM 648 CB LEU A 45 -2.124 -3.871 -7.924 1.00 0.00 C ATOM 649 CG LEU A 45 -1.842 -5.370 -8.038 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.404 -5.674 -7.647 1.00 0.00 C ATOM 651 CD2 LEU A 45 -2.810 -6.162 -7.171 1.00 0.00 C ATOM 0 H LEU A 45 -2.730 -1.517 -9.170 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.246 -2.925 -8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.001 -3.577 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.168 -3.697 -8.183 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.986 -5.669 -9.076 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.222 -6.745 -7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.275 -5.135 -8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.233 -5.360 -6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.595 -7.226 -7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.698 -5.859 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.832 -5.969 -7.497 1.00 0.00 H new ATOM 663 N ASP A 46 0.040 -3.806 -10.655 1.00 0.00 N ATOM 664 CA ASP A 46 0.253 -4.343 -11.994 1.00 0.00 C ATOM 665 C ASP A 46 -0.173 -3.335 -13.057 1.00 0.00 C ATOM 666 O ASP A 46 -0.871 -3.680 -14.010 1.00 0.00 O ATOM 667 CB ASP A 46 -0.522 -5.649 -12.172 1.00 0.00 C ATOM 668 CG ASP A 46 0.120 -6.569 -13.193 1.00 0.00 C ATOM 669 OD1 ASP A 46 1.366 -6.587 -13.274 1.00 0.00 O ATOM 670 OD2 ASP A 46 -0.624 -7.270 -13.909 1.00 0.00 O ATOM 0 H ASP A 46 0.893 -3.686 -10.109 1.00 0.00 H new ATOM 0 HA ASP A 46 1.318 -4.543 -12.114 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.586 -6.164 -11.213 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.542 -5.423 -12.482 1.00 0.00 H new ATOM 675 N GLY A 47 0.252 -2.087 -12.886 1.00 0.00 N ATOM 676 CA GLY A 47 -0.097 -1.048 -13.838 1.00 0.00 C ATOM 677 C GLY A 47 -1.595 -0.853 -13.960 1.00 0.00 C ATOM 678 O GLY A 47 -2.102 -0.544 -15.039 1.00 0.00 O ATOM 0 H GLY A 47 0.831 -1.777 -12.106 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.365 -0.109 -13.532 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.314 -1.302 -14.815 1.00 0.00 H new ATOM 682 N LYS A 48 -2.306 -1.035 -12.853 1.00 0.00 N ATOM 683 CA LYS A 48 -3.756 -0.877 -12.840 1.00 0.00 C ATOM 684 C LYS A 48 -4.232 -0.342 -11.493 1.00 0.00 C ATOM 685 O LYS A 48 -3.628 -0.590 -10.450 1.00 0.00 O ATOM 686 CB LYS A 48 -4.437 -2.214 -13.139 1.00 0.00 C ATOM 687 CG LYS A 48 -4.155 -2.742 -14.535 1.00 0.00 C ATOM 688 CD LYS A 48 -5.272 -3.647 -15.026 1.00 0.00 C ATOM 689 CE LYS A 48 -5.066 -5.084 -14.572 1.00 0.00 C ATOM 690 NZ LYS A 48 -5.499 -5.288 -13.161 1.00 0.00 N ATOM 0 H LYS A 48 -1.902 -1.292 -11.952 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.026 -0.158 -13.613 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.107 -2.952 -12.407 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.514 -2.100 -13.014 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.034 -1.906 -15.224 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.214 -3.292 -14.533 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.229 -3.280 -14.654 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.319 -3.611 -16.114 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.626 -5.755 -15.224 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.013 -5.349 -14.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.764 -6.284 -13.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.718 -5.043 -12.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.318 -4.680 -12.958 1.00 0.00 H new ATOM 704 N PRO A 49 -5.343 0.410 -11.514 1.00 0.00 N ATOM 705 CA PRO A 49 -5.926 0.995 -10.303 1.00 0.00 C ATOM 706 C PRO A 49 -6.540 -0.060 -9.388 1.00 0.00 C ATOM 707 O PRO A 49 -7.496 -0.739 -9.761 1.00 0.00 O ATOM 708 CB PRO A 49 -7.011 1.928 -10.846 1.00 0.00 C ATOM 709 CG PRO A 49 -7.376 1.353 -12.171 1.00 0.00 C ATOM 710 CD PRO A 49 -6.115 0.748 -12.722 1.00 0.00 C ATOM 0 HA PRO A 49 -5.177 1.500 -9.693 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.872 1.964 -10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.642 2.949 -10.945 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.157 0.600 -12.068 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.763 2.124 -12.838 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.323 -0.135 -13.326 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.577 1.450 -13.359 1.00 0.00 H new ATOM 718 N VAL A 50 -5.984 -0.191 -8.188 1.00 0.00 N ATOM 719 CA VAL A 50 -6.477 -1.162 -7.219 1.00 0.00 C ATOM 720 C VAL A 50 -7.562 -0.555 -6.336 1.00 0.00 C ATOM 721 O VAL A 50 -7.371 0.507 -5.742 1.00 0.00 O ATOM 722 CB VAL A 50 -5.340 -1.692 -6.325 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.727 -0.560 -5.514 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.850 -2.797 -5.413 1.00 0.00 C ATOM 0 H VAL A 50 -5.192 0.363 -7.864 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.897 -1.991 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.563 -2.111 -6.965 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.926 -0.953 -4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.323 0.194 -6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.492 -0.109 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.033 -3.159 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.646 -2.407 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.237 -3.618 -6.017 1.00 0.00 H new ATOM 734 N ARG A 51 -8.700 -1.236 -6.253 1.00 0.00 N ATOM 735 CA ARG A 51 -9.816 -0.763 -5.443 1.00 0.00 C ATOM 736 C ARG A 51 -10.013 -1.651 -4.218 1.00 0.00 C ATOM 737 O ARG A 51 -9.737 -2.851 -4.240 1.00 0.00 O ATOM 738 CB ARG A 51 -11.100 -0.730 -6.274 1.00 0.00 C ATOM 739 CG ARG A 51 -11.065 0.281 -7.408 1.00 0.00 C ATOM 740 CD ARG A 51 -12.439 0.462 -8.035 1.00 0.00 C ATOM 741 NE ARG A 51 -13.282 1.365 -7.256 1.00 0.00 N ATOM 742 CZ ARG A 51 -14.365 1.962 -7.742 1.00 0.00 C ATOM 743 NH1 ARG A 51 -14.735 1.751 -8.998 1.00 0.00 N ATOM 744 NH2 ARG A 51 -15.081 2.770 -6.971 1.00 0.00 N ATOM 0 H ARG A 51 -8.873 -2.117 -6.737 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.584 0.247 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.280 -1.722 -6.688 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.941 -0.500 -5.619 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.706 1.239 -7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.357 -0.048 -8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.327 0.853 -9.046 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.929 -0.508 -8.120 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.025 1.547 -6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.188 1.129 -9.593 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.567 2.210 -9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.800 2.933 -6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.912 3.228 -7.345 1.00 0.00 H new ATOM 758 N PRO A 52 -10.501 -1.050 -3.123 1.00 0.00 N ATOM 759 CA PRO A 52 -10.746 -1.767 -1.868 1.00 0.00 C ATOM 760 C PRO A 52 -11.916 -2.740 -1.975 1.00 0.00 C ATOM 761 O PRO A 52 -12.879 -2.489 -2.700 1.00 0.00 O ATOM 762 CB PRO A 52 -11.071 -0.647 -0.877 1.00 0.00 C ATOM 763 CG PRO A 52 -11.592 0.466 -1.719 1.00 0.00 C ATOM 764 CD PRO A 52 -10.853 0.377 -3.026 1.00 0.00 C ATOM 0 HA PRO A 52 -9.893 -2.379 -1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.811 -0.969 -0.145 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.185 -0.341 -0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.667 0.370 -1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.423 1.430 -1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.476 0.695 -3.862 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.966 1.011 -3.030 1.00 0.00 H new ATOM 772 N ASP A 53 -11.825 -3.849 -1.250 1.00 0.00 N ATOM 773 CA ASP A 53 -12.877 -4.859 -1.262 1.00 0.00 C ATOM 774 C ASP A 53 -12.936 -5.598 0.071 1.00 0.00 C ATOM 775 O ASP A 53 -12.157 -5.318 0.982 1.00 0.00 O ATOM 776 CB ASP A 53 -12.646 -5.852 -2.402 1.00 0.00 C ATOM 777 CG ASP A 53 -13.904 -6.614 -2.769 1.00 0.00 C ATOM 778 OD1 ASP A 53 -14.722 -6.071 -3.540 1.00 0.00 O ATOM 779 OD2 ASP A 53 -14.071 -7.753 -2.285 1.00 0.00 O ATOM 0 H ASP A 53 -11.034 -4.072 -0.646 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.830 -4.354 -1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.280 -5.316 -3.278 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.868 -6.558 -2.113 1.00 0.00 H new ATOM 784 N SER A 54 -13.865 -6.543 0.177 1.00 0.00 N ATOM 785 CA SER A 54 -14.028 -7.320 1.400 1.00 0.00 C ATOM 786 C SER A 54 -12.678 -7.798 1.925 1.00 0.00 C ATOM 787 O SER A 54 -12.528 -8.090 3.111 1.00 0.00 O ATOM 788 CB SER A 54 -14.945 -8.519 1.149 1.00 0.00 C ATOM 789 OG SER A 54 -14.371 -9.411 0.208 1.00 0.00 O ATOM 0 H SER A 54 -14.516 -6.789 -0.569 1.00 0.00 H new ATOM 0 HA SER A 54 -14.482 -6.675 2.153 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.129 -9.043 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.911 -8.172 0.783 1.00 0.00 H new ATOM 0 HG SER A 54 -14.209 -8.938 -0.635 1.00 0.00 H new ATOM 795 N ALA A 55 -11.697 -7.877 1.031 1.00 0.00 N ATOM 796 CA ALA A 55 -10.358 -8.317 1.403 1.00 0.00 C ATOM 797 C ALA A 55 -9.398 -7.137 1.497 1.00 0.00 C ATOM 798 O ALA A 55 -8.670 -6.992 2.480 1.00 0.00 O ATOM 799 CB ALA A 55 -9.843 -9.341 0.402 1.00 0.00 C ATOM 0 H ALA A 55 -11.805 -7.642 0.044 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.415 -8.783 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.842 -9.661 0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.510 -10.203 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.808 -8.893 -0.591 1.00 0.00 H new ATOM 805 N HIS A 56 -9.400 -6.295 0.468 1.00 0.00 N ATOM 806 CA HIS A 56 -8.529 -5.126 0.435 1.00 0.00 C ATOM 807 C HIS A 56 -9.112 -3.989 1.270 1.00 0.00 C ATOM 808 O HIS A 56 -10.199 -3.489 0.983 1.00 0.00 O ATOM 809 CB HIS A 56 -8.319 -4.660 -1.006 1.00 0.00 C ATOM 810 CG HIS A 56 -7.673 -5.691 -1.880 1.00 0.00 C ATOM 811 ND1 HIS A 56 -8.333 -6.813 -2.333 1.00 0.00 N ATOM 812 CD2 HIS A 56 -6.420 -5.763 -2.386 1.00 0.00 C ATOM 813 CE1 HIS A 56 -7.514 -7.532 -3.079 1.00 0.00 C ATOM 814 NE2 HIS A 56 -6.346 -6.917 -3.128 1.00 0.00 N ATOM 0 H HIS A 56 -9.995 -6.401 -0.354 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.567 -5.409 0.861 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.283 -4.384 -1.434 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.703 -3.761 -1.002 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.626 -5.047 -2.235 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.758 -8.464 -3.566 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.523 -7.245 -3.634 1.00 0.00 H new ATOM 822 N LYS A 57 -8.382 -3.587 2.305 1.00 0.00 N ATOM 823 CA LYS A 57 -8.825 -2.510 3.182 1.00 0.00 C ATOM 824 C LYS A 57 -7.754 -1.431 3.302 1.00 0.00 C ATOM 825 O LYS A 57 -6.699 -1.654 3.896 1.00 0.00 O ATOM 826 CB LYS A 57 -9.168 -3.061 4.568 1.00 0.00 C ATOM 827 CG LYS A 57 -9.452 -1.982 5.598 1.00 0.00 C ATOM 828 CD LYS A 57 -9.119 -2.452 7.004 1.00 0.00 C ATOM 829 CE LYS A 57 -10.211 -3.349 7.565 1.00 0.00 C ATOM 830 NZ LYS A 57 -9.970 -4.783 7.244 1.00 0.00 N ATOM 0 H LYS A 57 -7.480 -3.991 2.557 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.718 -2.063 2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.039 -3.711 4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.341 -3.678 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.869 -1.091 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.503 -1.697 5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.172 -2.992 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.986 -1.588 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.265 -3.223 8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.176 -3.043 7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.827 -5.193 6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.181 -4.860 6.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.733 -5.299 8.115 1.00 0.00 H new ATOM 844 N MET A 58 -8.033 -0.261 2.737 1.00 0.00 N ATOM 845 CA MET A 58 -7.093 0.853 2.784 1.00 0.00 C ATOM 846 C MET A 58 -7.406 1.779 3.956 1.00 0.00 C ATOM 847 O MET A 58 -8.570 1.995 4.296 1.00 0.00 O ATOM 848 CB MET A 58 -7.135 1.640 1.473 1.00 0.00 C ATOM 849 CG MET A 58 -6.501 0.904 0.303 1.00 0.00 C ATOM 850 SD MET A 58 -7.238 -0.717 0.020 1.00 0.00 S ATOM 851 CE MET A 58 -7.336 -0.737 -1.768 1.00 0.00 C ATOM 0 H MET A 58 -8.902 -0.060 2.242 1.00 0.00 H new ATOM 0 HA MET A 58 -6.092 0.445 2.922 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.172 1.869 1.229 1.00 0.00 H new ATOM 0 HB3 MET A 58 -6.623 2.592 1.613 1.00 0.00 H new ATOM 0 HG2 MET A 58 -6.603 1.508 -0.599 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.433 0.786 0.489 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.706 -1.706 -2.101 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.016 0.046 -2.104 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.346 -0.563 -2.189 1.00 0.00 H new ATOM 861 N LEU A 59 -6.361 2.324 4.569 1.00 0.00 N ATOM 862 CA LEU A 59 -6.525 3.227 5.703 1.00 0.00 C ATOM 863 C LEU A 59 -6.019 4.625 5.363 1.00 0.00 C ATOM 864 O LEU A 59 -5.017 4.782 4.665 1.00 0.00 O ATOM 865 CB LEU A 59 -5.779 2.685 6.924 1.00 0.00 C ATOM 866 CG LEU A 59 -6.514 1.624 7.744 1.00 0.00 C ATOM 867 CD1 LEU A 59 -6.201 0.232 7.219 1.00 0.00 C ATOM 868 CD2 LEU A 59 -6.145 1.737 9.215 1.00 0.00 C ATOM 0 H LEU A 59 -5.391 2.157 4.300 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.588 3.292 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.831 2.264 6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.541 3.522 7.580 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.586 1.794 7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.733 -0.510 7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.517 0.156 6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.128 0.050 7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.677 0.974 9.783 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.071 1.594 9.333 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.422 2.724 9.585 1.00 0.00 H new ATOM 880 N VAL A 60 -6.718 5.639 5.863 1.00 0.00 N ATOM 881 CA VAL A 60 -6.338 7.025 5.616 1.00 0.00 C ATOM 882 C VAL A 60 -6.267 7.816 6.917 1.00 0.00 C ATOM 883 O VAL A 60 -7.276 8.333 7.397 1.00 0.00 O ATOM 884 CB VAL A 60 -7.329 7.716 4.661 1.00 0.00 C ATOM 885 CG1 VAL A 60 -6.909 9.156 4.406 1.00 0.00 C ATOM 886 CG2 VAL A 60 -7.436 6.945 3.354 1.00 0.00 C ATOM 0 H VAL A 60 -7.550 5.527 6.442 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.352 7.005 5.153 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.312 7.727 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.621 9.628 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.889 9.702 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.916 9.171 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.141 7.448 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.457 6.901 2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.787 5.933 3.556 1.00 0.00 H new ATOM 896 N ARG A 61 -5.068 7.907 7.483 1.00 0.00 N ATOM 897 CA ARG A 61 -4.865 8.636 8.729 1.00 0.00 C ATOM 898 C ARG A 61 -4.660 10.124 8.463 1.00 0.00 C ATOM 899 O ARG A 61 -3.727 10.515 7.762 1.00 0.00 O ATOM 900 CB ARG A 61 -3.660 8.071 9.484 1.00 0.00 C ATOM 901 CG ARG A 61 -3.984 6.841 10.316 1.00 0.00 C ATOM 902 CD ARG A 61 -2.758 6.332 11.058 1.00 0.00 C ATOM 903 NE ARG A 61 -3.113 5.670 12.311 1.00 0.00 N ATOM 904 CZ ARG A 61 -2.338 4.776 12.915 1.00 0.00 C ATOM 905 NH1 ARG A 61 -1.171 4.439 12.384 1.00 0.00 N ATOM 906 NH2 ARG A 61 -2.730 4.218 14.053 1.00 0.00 N ATOM 0 H ARG A 61 -4.223 7.485 7.099 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.759 8.515 9.341 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.879 7.819 8.767 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.256 8.845 10.137 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.770 7.081 11.032 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.372 6.054 9.669 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.212 5.635 10.422 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.088 7.166 11.266 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.005 5.907 12.746 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.866 4.866 11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.578 3.752 12.850 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.627 4.475 14.465 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.134 3.532 14.516 1.00 0.00 H new ATOM 920 N GLU A 62 -5.538 10.948 9.026 1.00 0.00 N ATOM 921 CA GLU A 62 -5.454 12.392 8.847 1.00 0.00 C ATOM 922 C GLU A 62 -4.014 12.875 8.998 1.00 0.00 C ATOM 923 O GLU A 62 -3.498 13.597 8.145 1.00 0.00 O ATOM 924 CB GLU A 62 -6.352 13.107 9.858 1.00 0.00 C ATOM 925 CG GLU A 62 -6.790 14.491 9.411 1.00 0.00 C ATOM 926 CD GLU A 62 -7.468 14.479 8.055 1.00 0.00 C ATOM 927 OE1 GLU A 62 -8.270 13.556 7.800 1.00 0.00 O ATOM 928 OE2 GLU A 62 -7.197 15.393 7.248 1.00 0.00 O ATOM 0 H GLU A 62 -6.316 10.640 9.610 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.795 12.628 7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.236 12.497 10.041 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.821 13.192 10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.473 14.908 10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.921 15.148 9.373 1.00 0.00 H new ATOM 935 N ASN A 63 -3.372 12.472 10.089 1.00 0.00 N ATOM 936 CA ASN A 63 -1.992 12.864 10.353 1.00 0.00 C ATOM 937 C ASN A 63 -1.158 12.811 9.077 1.00 0.00 C ATOM 938 O ASN A 63 -0.263 13.630 8.873 1.00 0.00 O ATOM 939 CB ASN A 63 -1.376 11.954 11.417 1.00 0.00 C ATOM 940 CG ASN A 63 -1.851 12.296 12.816 1.00 0.00 C ATOM 941 OD1 ASN A 63 -2.462 13.341 13.038 1.00 0.00 O ATOM 942 ND2 ASN A 63 -1.571 11.413 13.768 1.00 0.00 N ATOM 0 H ASN A 63 -3.785 11.874 10.805 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.996 13.890 10.721 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.628 10.917 11.194 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.290 12.034 11.375 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.865 11.588 14.729 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.062 10.559 13.538 1.00 0.00 H new ATOM 949 N GLY A 64 -1.458 11.840 8.220 1.00 0.00 N ATOM 950 CA GLY A 64 -0.728 11.698 6.974 1.00 0.00 C ATOM 951 C GLY A 64 -0.020 10.362 6.866 1.00 0.00 C ATOM 952 O GLY A 64 1.193 10.309 6.661 1.00 0.00 O ATOM 0 H GLY A 64 -2.194 11.149 8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.418 11.809 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.004 12.501 6.892 1.00 0.00 H new ATOM 956 N VAL A 65 -0.777 9.279 7.007 1.00 0.00 N ATOM 957 CA VAL A 65 -0.215 7.936 6.925 1.00 0.00 C ATOM 958 C VAL A 65 -1.189 6.972 6.257 1.00 0.00 C ATOM 959 O VAL A 65 -2.341 6.848 6.675 1.00 0.00 O ATOM 960 CB VAL A 65 0.151 7.395 8.320 1.00 0.00 C ATOM 961 CG1 VAL A 65 0.358 5.889 8.270 1.00 0.00 C ATOM 962 CG2 VAL A 65 1.391 8.095 8.854 1.00 0.00 C ATOM 0 H VAL A 65 -1.782 9.305 7.179 1.00 0.00 H new ATOM 0 HA VAL A 65 0.690 8.008 6.322 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.675 7.602 9.000 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.616 5.524 9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.560 5.407 7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.166 5.656 7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.635 7.700 9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.227 7.921 8.177 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.201 9.166 8.928 1.00 0.00 H new ATOM 972 N HIS A 66 -0.719 6.291 5.217 1.00 0.00 N ATOM 973 CA HIS A 66 -1.549 5.336 4.491 1.00 0.00 C ATOM 974 C HIS A 66 -1.108 3.904 4.780 1.00 0.00 C ATOM 975 O HIS A 66 0.016 3.667 5.222 1.00 0.00 O ATOM 976 CB HIS A 66 -1.482 5.609 2.988 1.00 0.00 C ATOM 977 CG HIS A 66 -2.489 6.613 2.517 1.00 0.00 C ATOM 978 ND1 HIS A 66 -3.487 6.311 1.614 1.00 0.00 N ATOM 979 CD2 HIS A 66 -2.650 7.920 2.830 1.00 0.00 C ATOM 980 CE1 HIS A 66 -4.216 7.389 1.390 1.00 0.00 C ATOM 981 NE2 HIS A 66 -3.730 8.379 2.117 1.00 0.00 N ATOM 0 H HIS A 66 0.231 6.382 4.858 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.578 5.456 4.829 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.482 5.963 2.735 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.634 4.673 2.450 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.042 8.495 3.513 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.065 7.451 0.725 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.097 9.330 2.144 1.00 0.00 H new ATOM 989 N SER A 67 -2.001 2.952 4.526 1.00 0.00 N ATOM 990 CA SER A 67 -1.706 1.544 4.763 1.00 0.00 C ATOM 991 C SER A 67 -2.606 0.650 3.915 1.00 0.00 C ATOM 992 O SER A 67 -3.820 0.849 3.856 1.00 0.00 O ATOM 993 CB SER A 67 -1.883 1.206 6.245 1.00 0.00 C ATOM 994 OG SER A 67 -0.898 1.849 7.036 1.00 0.00 O ATOM 0 H SER A 67 -2.935 3.131 4.156 1.00 0.00 H new ATOM 0 HA SER A 67 -0.670 1.363 4.478 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.876 1.512 6.575 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.819 0.127 6.385 1.00 0.00 H new ATOM 0 HG SER A 67 -0.377 2.461 6.476 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.002 -0.335 3.260 1.00 0.00 N ATOM 1001 CA LEU A 68 -2.747 -1.261 2.415 1.00 0.00 C ATOM 1002 C LEU A 68 -2.824 -2.643 3.056 1.00 0.00 C ATOM 1003 O LEU A 68 -1.806 -3.311 3.238 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.093 -1.363 1.036 1.00 0.00 C ATOM 1005 CG LEU A 68 -2.742 -2.340 0.055 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.159 -1.899 -0.279 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -1.906 -2.459 -1.211 1.00 0.00 C ATOM 0 H LEU A 68 -0.998 -0.513 3.298 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.760 -0.876 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.091 -0.372 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.051 -1.653 1.171 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.791 -3.321 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.605 -2.606 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.755 -1.866 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.134 -0.908 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.383 -3.158 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.825 -1.482 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.910 -2.822 -0.957 1.00 0.00 H new ATOM 1019 N ILE A 69 -4.038 -3.065 3.396 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.248 -4.368 4.014 1.00 0.00 C ATOM 1021 C ILE A 69 -4.975 -5.315 3.066 1.00 0.00 C ATOM 1022 O ILE A 69 -5.931 -4.925 2.395 1.00 0.00 O ATOM 1023 CB ILE A 69 -5.054 -4.248 5.321 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -4.289 -3.403 6.342 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -5.355 -5.628 5.886 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -5.183 -2.726 7.356 1.00 0.00 C ATOM 0 H ILE A 69 -4.890 -2.523 3.254 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.262 -4.772 4.241 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.000 -3.752 5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.575 -4.039 6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.712 -2.644 5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.925 -5.527 6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.936 -6.199 5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.420 -6.149 6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.573 -2.145 8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.880 -2.064 6.842 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.741 -3.481 7.910 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.517 -6.562 3.017 1.00 0.00 N ATOM 1039 CA ILE A 70 -5.126 -7.566 2.154 1.00 0.00 C ATOM 1040 C ILE A 70 -5.271 -8.899 2.878 1.00 0.00 C ATOM 1041 O ILE A 70 -4.288 -9.469 3.351 1.00 0.00 O ATOM 1042 CB ILE A 70 -4.302 -7.779 0.870 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -4.085 -6.446 0.150 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -4.997 -8.775 -0.046 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -2.808 -6.397 -0.658 1.00 0.00 C ATOM 0 H ILE A 70 -3.726 -6.901 3.565 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.114 -7.193 1.885 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.328 -8.185 1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.931 -6.257 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.070 -5.643 0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.403 -8.915 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.105 -9.729 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.982 -8.395 -0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.720 -5.424 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.954 -6.554 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.828 -7.178 -1.418 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.503 -9.391 2.960 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.776 -10.659 3.627 1.00 0.00 C ATOM 1059 C GLU A 71 -8.175 -11.164 3.285 1.00 0.00 C ATOM 1060 O GLU A 71 -9.177 -10.478 3.489 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.634 -10.505 5.143 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.355 -11.813 5.864 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.556 -12.738 5.880 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.689 -12.237 6.032 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -7.361 -13.964 5.741 1.00 0.00 O ATOM 0 H GLU A 71 -7.327 -8.931 2.573 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.048 -11.389 3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.827 -9.804 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.549 -10.068 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.518 -12.318 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.051 -11.601 6.889 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.246 -12.392 2.751 1.00 0.00 N ATOM 1073 CA PRO A 72 -7.060 -13.218 2.503 1.00 0.00 C ATOM 1074 C PRO A 72 -6.198 -12.669 1.371 1.00 0.00 C ATOM 1075 O PRO A 72 -6.563 -11.691 0.717 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.648 -14.577 2.116 1.00 0.00 C ATOM 1077 CG PRO A 72 -9.001 -14.265 1.576 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.489 -13.070 2.347 1.00 0.00 C ATOM 0 HA PRO A 72 -6.401 -13.255 3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.030 -15.078 1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.709 -15.242 2.978 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.955 -14.049 0.509 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.676 -15.112 1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.117 -12.425 1.733 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.084 -13.365 3.211 1.00 0.00 H new ATOM 1086 N VAL A 73 -5.053 -13.304 1.143 1.00 0.00 N ATOM 1087 CA VAL A 73 -4.140 -12.881 0.088 1.00 0.00 C ATOM 1088 C VAL A 73 -4.187 -13.838 -1.097 1.00 0.00 C ATOM 1089 O VAL A 73 -4.127 -15.056 -0.929 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.691 -12.790 0.603 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.711 -12.778 -0.560 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.512 -11.556 1.475 1.00 0.00 C ATOM 0 H VAL A 73 -4.735 -14.114 1.675 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.466 -11.892 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.484 -13.670 1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.693 -12.713 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.823 -13.694 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.914 -11.918 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.483 -11.508 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.737 -10.663 0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.188 -11.612 2.328 1.00 0.00 H new ATOM 1102 N THR A 74 -4.295 -13.279 -2.299 1.00 0.00 N ATOM 1103 CA THR A 74 -4.352 -14.082 -3.513 1.00 0.00 C ATOM 1104 C THR A 74 -3.030 -14.026 -4.271 1.00 0.00 C ATOM 1105 O THR A 74 -2.132 -13.262 -3.917 1.00 0.00 O ATOM 1106 CB THR A 74 -5.485 -13.612 -4.445 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.367 -12.207 -4.690 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.846 -13.914 -3.837 1.00 0.00 C ATOM 0 H THR A 74 -4.345 -12.272 -2.457 1.00 0.00 H new ATOM 0 HA THR A 74 -4.548 -15.109 -3.204 1.00 0.00 H new ATOM 0 HB THR A 74 -5.398 -14.153 -5.387 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.245 -11.841 -4.924 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.630 -13.573 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.944 -14.988 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.941 -13.397 -2.882 1.00 0.00 H new ATOM 1116 N SER A 75 -2.918 -14.840 -5.316 1.00 0.00 N ATOM 1117 CA SER A 75 -1.704 -14.886 -6.122 1.00 0.00 C ATOM 1118 C SER A 75 -1.538 -13.601 -6.927 1.00 0.00 C ATOM 1119 O SER A 75 -0.433 -13.258 -7.350 1.00 0.00 O ATOM 1120 CB SER A 75 -1.737 -16.091 -7.064 1.00 0.00 C ATOM 1121 OG SER A 75 -0.455 -16.344 -7.613 1.00 0.00 O ATOM 0 H SER A 75 -3.653 -15.476 -5.624 1.00 0.00 H new ATOM 0 HA SER A 75 -0.853 -14.985 -5.448 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.084 -16.971 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.451 -15.909 -7.867 1.00 0.00 H new ATOM 0 HG SER A 75 -0.502 -17.120 -8.210 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.643 -12.893 -7.135 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.622 -11.646 -7.890 1.00 0.00 C ATOM 1129 C ARG A 76 -2.003 -10.522 -7.066 1.00 0.00 C ATOM 1130 O ARG A 76 -1.456 -9.565 -7.614 1.00 0.00 O ATOM 1131 CB ARG A 76 -4.039 -11.260 -8.317 1.00 0.00 C ATOM 1132 CG ARG A 76 -5.027 -11.195 -7.164 1.00 0.00 C ATOM 1133 CD ARG A 76 -6.202 -10.285 -7.486 1.00 0.00 C ATOM 1134 NE ARG A 76 -7.223 -10.969 -8.275 1.00 0.00 N ATOM 1135 CZ ARG A 76 -8.439 -10.478 -8.487 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -8.783 -9.305 -7.972 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -9.314 -11.160 -9.215 1.00 0.00 N ATOM 0 H ARG A 76 -3.565 -13.162 -6.791 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.011 -11.799 -8.780 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.008 -10.290 -8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.397 -11.982 -9.051 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.393 -12.197 -6.940 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.520 -10.833 -6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.644 -9.921 -6.558 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.845 -9.412 -8.033 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.990 -11.873 -8.686 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.113 -8.778 -7.412 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.717 -8.930 -8.136 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.053 -12.062 -9.613 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.247 -10.782 -9.377 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.094 -10.644 -5.746 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.542 -9.639 -4.845 1.00 0.00 C ATOM 1153 C ASP A 77 -0.048 -9.452 -5.088 1.00 0.00 C ATOM 1154 O ASP A 77 0.476 -8.345 -4.974 1.00 0.00 O ATOM 1155 CB ASP A 77 -1.789 -10.037 -3.389 1.00 0.00 C ATOM 1156 CG ASP A 77 -0.752 -9.459 -2.447 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -0.827 -8.247 -2.154 1.00 0.00 O ATOM 1158 OD2 ASP A 77 0.135 -10.217 -2.002 1.00 0.00 O ATOM 0 H ASP A 77 -2.545 -11.429 -5.276 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.045 -8.693 -5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.780 -9.698 -3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.785 -11.124 -3.307 1.00 0.00 H new ATOM 1163 N ALA A 78 0.632 -10.544 -5.423 1.00 0.00 N ATOM 1164 CA ALA A 78 2.066 -10.500 -5.683 1.00 0.00 C ATOM 1165 C ALA A 78 2.371 -9.699 -6.944 1.00 0.00 C ATOM 1166 O ALA A 78 2.047 -10.121 -8.053 1.00 0.00 O ATOM 1167 CB ALA A 78 2.624 -11.911 -5.803 1.00 0.00 C ATOM 0 H ALA A 78 0.213 -11.469 -5.521 1.00 0.00 H new ATOM 0 HA ALA A 78 2.548 -10.001 -4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.696 -11.863 -5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.447 -12.452 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.129 -12.429 -6.624 1.00 0.00 H new ATOM 1173 N GLY A 79 2.997 -8.540 -6.766 1.00 0.00 N ATOM 1174 CA GLY A 79 3.335 -7.698 -7.899 1.00 0.00 C ATOM 1175 C GLY A 79 4.116 -6.464 -7.492 1.00 0.00 C ATOM 1176 O GLY A 79 4.709 -6.425 -6.413 1.00 0.00 O ATOM 0 H GLY A 79 3.276 -8.169 -5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.921 -8.275 -8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.420 -7.394 -8.407 1.00 0.00 H new ATOM 1180 N ILE A 80 4.118 -5.455 -8.356 1.00 0.00 N ATOM 1181 CA ILE A 80 4.833 -4.215 -8.081 1.00 0.00 C ATOM 1182 C ILE A 80 3.863 -3.059 -7.860 1.00 0.00 C ATOM 1183 O ILE A 80 3.355 -2.470 -8.815 1.00 0.00 O ATOM 1184 CB ILE A 80 5.794 -3.852 -9.228 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.804 -4.979 -9.453 1.00 0.00 C ATOM 1186 CG2 ILE A 80 6.510 -2.544 -8.926 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.555 -5.376 -8.201 1.00 0.00 C ATOM 0 H ILE A 80 3.632 -5.472 -9.253 1.00 0.00 H new ATOM 0 HA ILE A 80 5.412 -4.380 -7.172 1.00 0.00 H new ATOM 0 HB ILE A 80 5.213 -3.723 -10.141 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.281 -5.851 -9.846 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.520 -4.668 -10.213 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.186 -2.301 -9.746 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.777 -1.746 -8.812 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.081 -2.647 -8.004 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.253 -6.180 -8.435 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.106 -4.516 -7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.848 -5.718 -7.446 1.00 0.00 H new ATOM 1199 N TYR A 81 3.612 -2.738 -6.596 1.00 0.00 N ATOM 1200 CA TYR A 81 2.702 -1.653 -6.249 1.00 0.00 C ATOM 1201 C TYR A 81 3.370 -0.296 -6.454 1.00 0.00 C ATOM 1202 O TYR A 81 4.498 -0.072 -6.012 1.00 0.00 O ATOM 1203 CB TYR A 81 2.239 -1.792 -4.798 1.00 0.00 C ATOM 1204 CG TYR A 81 1.398 -3.023 -4.546 1.00 0.00 C ATOM 1205 CD1 TYR A 81 1.989 -4.266 -4.359 1.00 0.00 C ATOM 1206 CD2 TYR A 81 0.012 -2.942 -4.494 1.00 0.00 C ATOM 1207 CE1 TYR A 81 1.225 -5.393 -4.130 1.00 0.00 C ATOM 1208 CE2 TYR A 81 -0.761 -4.064 -4.264 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.150 -5.288 -4.083 1.00 0.00 C ATOM 1210 OH TYR A 81 -0.914 -6.408 -3.853 1.00 0.00 O ATOM 0 H TYR A 81 4.026 -3.214 -5.794 1.00 0.00 H new ATOM 0 HA TYR A 81 1.835 -1.715 -6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.113 -1.820 -4.148 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.665 -0.907 -4.522 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.065 -4.352 -4.393 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.469 -1.986 -4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.701 -6.352 -3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.837 -3.983 -4.226 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.335 -7.148 -3.574 1.00 0.00 H new ATOM 1220 N THR A 82 2.665 0.608 -7.127 1.00 0.00 N ATOM 1221 CA THR A 82 3.187 1.942 -7.392 1.00 0.00 C ATOM 1222 C THR A 82 2.173 3.015 -7.013 1.00 0.00 C ATOM 1223 O THR A 82 1.059 3.043 -7.538 1.00 0.00 O ATOM 1224 CB THR A 82 3.568 2.112 -8.875 1.00 0.00 C ATOM 1225 OG1 THR A 82 4.477 1.079 -9.269 1.00 0.00 O ATOM 1226 CG2 THR A 82 4.203 3.473 -9.117 1.00 0.00 C ATOM 0 H THR A 82 1.730 0.440 -7.499 1.00 0.00 H new ATOM 0 HA THR A 82 4.081 2.059 -6.779 1.00 0.00 H new ATOM 0 HB THR A 82 2.659 2.041 -9.472 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.713 1.193 -10.213 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.464 3.571 -10.171 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.497 4.258 -8.844 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.104 3.567 -8.510 1.00 0.00 H new ATOM 1234 N CYS A 83 2.564 3.896 -6.099 1.00 0.00 N ATOM 1235 CA CYS A 83 1.688 4.972 -5.650 1.00 0.00 C ATOM 1236 C CYS A 83 2.236 6.332 -6.071 1.00 0.00 C ATOM 1237 O CYS A 83 3.449 6.540 -6.103 1.00 0.00 O ATOM 1238 CB CYS A 83 1.524 4.924 -4.130 1.00 0.00 C ATOM 1239 SG CYS A 83 -0.069 5.541 -3.539 1.00 0.00 S ATOM 0 H CYS A 83 3.482 3.886 -5.654 1.00 0.00 H new ATOM 0 HA CYS A 83 0.714 4.832 -6.118 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.650 3.895 -3.794 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.321 5.509 -3.671 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.594 4.676 -2.723 1.00 0.00 H new ATOM 1245 N ILE A 84 1.335 7.252 -6.396 1.00 0.00 N ATOM 1246 CA ILE A 84 1.728 8.592 -6.816 1.00 0.00 C ATOM 1247 C ILE A 84 0.992 9.658 -6.013 1.00 0.00 C ATOM 1248 O ILE A 84 -0.179 9.942 -6.265 1.00 0.00 O ATOM 1249 CB ILE A 84 1.455 8.814 -8.315 1.00 0.00 C ATOM 1250 CG1 ILE A 84 2.368 7.923 -9.160 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.653 10.279 -8.678 1.00 0.00 C ATOM 1252 CD1 ILE A 84 1.779 6.561 -9.454 1.00 0.00 C ATOM 0 H ILE A 84 0.327 7.095 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 84 2.799 8.679 -6.633 1.00 0.00 H new ATOM 0 HB ILE A 84 0.420 8.544 -8.524 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.584 8.427 -10.102 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.318 7.795 -8.642 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.456 10.420 -9.741 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.966 10.894 -8.097 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.679 10.573 -8.457 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.480 5.984 -10.057 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.589 6.037 -8.517 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.843 6.679 -10.000 1.00 0.00 H new ATOM 1264 N ALA A 85 1.687 10.248 -5.045 1.00 0.00 N ATOM 1265 CA ALA A 85 1.100 11.286 -4.207 1.00 0.00 C ATOM 1266 C ALA A 85 1.277 12.664 -4.836 1.00 0.00 C ATOM 1267 O ALA A 85 2.372 13.228 -4.825 1.00 0.00 O ATOM 1268 CB ALA A 85 1.719 11.255 -2.818 1.00 0.00 C ATOM 0 H ALA A 85 2.657 10.024 -4.822 1.00 0.00 H new ATOM 0 HA ALA A 85 0.031 11.089 -4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.271 12.035 -2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.537 10.283 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.793 11.425 -2.894 1.00 0.00 H new ATOM 1274 N THR A 86 0.193 13.202 -5.386 1.00 0.00 N ATOM 1275 CA THR A 86 0.228 14.513 -6.022 1.00 0.00 C ATOM 1276 C THR A 86 -0.495 15.554 -5.176 1.00 0.00 C ATOM 1277 O THR A 86 -1.717 15.514 -5.036 1.00 0.00 O ATOM 1278 CB THR A 86 -0.408 14.475 -7.424 1.00 0.00 C ATOM 1279 OG1 THR A 86 0.144 13.393 -8.183 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.177 15.787 -8.159 1.00 0.00 C ATOM 0 H THR A 86 -0.721 12.749 -5.404 1.00 0.00 H new ATOM 0 HA THR A 86 1.278 14.791 -6.115 1.00 0.00 H new ATOM 0 HB THR A 86 -1.482 14.326 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.267 13.374 -9.073 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.635 15.736 -9.147 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.624 16.605 -7.593 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.894 15.961 -8.264 1.00 0.00 H new ATOM 1288 N ASN A 87 0.267 16.487 -4.614 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.303 17.540 -3.781 1.00 0.00 C ATOM 1290 C ASN A 87 -0.185 18.898 -4.465 1.00 0.00 C ATOM 1291 O ASN A 87 0.602 19.069 -5.396 1.00 0.00 O ATOM 1292 CB ASN A 87 0.397 17.578 -2.421 1.00 0.00 C ATOM 1293 CG ASN A 87 -0.083 18.728 -1.556 1.00 0.00 C ATOM 1294 OD1 ASN A 87 -1.261 19.085 -1.576 1.00 0.00 O ATOM 1295 ND2 ASN A 87 0.831 19.313 -0.790 1.00 0.00 N ATOM 0 H ASN A 87 1.280 16.535 -4.720 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.360 17.319 -3.632 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.223 16.637 -1.899 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.473 17.665 -2.571 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.568 20.092 -0.186 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.796 18.984 -0.806 1.00 0.00 H new ATOM 1302 N ARG A 88 -0.971 19.862 -3.996 1.00 0.00 N ATOM 1303 CA ARG A 88 -0.954 21.205 -4.562 1.00 0.00 C ATOM 1304 C ARG A 88 0.473 21.650 -4.865 1.00 0.00 C ATOM 1305 O ARG A 88 0.737 22.263 -5.899 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.615 22.195 -3.601 1.00 0.00 C ATOM 1307 CG ARG A 88 -1.463 23.647 -4.022 1.00 0.00 C ATOM 1308 CD ARG A 88 -2.571 24.514 -3.445 1.00 0.00 C ATOM 1309 NE ARG A 88 -3.751 24.537 -4.305 1.00 0.00 N ATOM 1310 CZ ARG A 88 -3.755 25.037 -5.536 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -2.646 25.552 -6.049 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -4.869 25.022 -6.256 1.00 0.00 N ATOM 0 H ARG A 88 -1.628 19.737 -3.225 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.516 21.185 -5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.676 21.958 -3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.185 22.067 -2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.495 24.023 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.476 23.715 -5.110 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.848 24.140 -2.459 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.202 25.531 -3.308 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.620 24.148 -3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.787 25.565 -5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.651 25.935 -6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.724 24.626 -5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.871 25.406 -7.201 1.00 0.00 H new ATOM 1326 N ALA A 89 1.391 21.338 -3.955 1.00 0.00 N ATOM 1327 CA ALA A 89 2.791 21.704 -4.126 1.00 0.00 C ATOM 1328 C ALA A 89 3.409 20.973 -5.313 1.00 0.00 C ATOM 1329 O ALA A 89 3.818 21.595 -6.293 1.00 0.00 O ATOM 1330 CB ALA A 89 3.573 21.405 -2.855 1.00 0.00 C ATOM 0 H ALA A 89 1.189 20.833 -3.092 1.00 0.00 H new ATOM 0 HA ALA A 89 2.839 22.774 -4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.617 21.683 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.154 21.977 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.508 20.340 -2.630 1.00 0.00 H new ATOM 1336 N GLY A 90 3.474 19.649 -5.219 1.00 0.00 N ATOM 1337 CA GLY A 90 4.045 18.856 -6.292 1.00 0.00 C ATOM 1338 C GLY A 90 3.489 17.446 -6.329 1.00 0.00 C ATOM 1339 O GLY A 90 2.323 17.223 -6.006 1.00 0.00 O ATOM 0 H GLY A 90 3.141 19.111 -4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.849 19.346 -7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.128 18.814 -6.172 1.00 0.00 H new ATOM 1343 N GLN A 91 4.326 16.492 -6.726 1.00 0.00 N ATOM 1344 CA GLN A 91 3.910 15.097 -6.807 1.00 0.00 C ATOM 1345 C GLN A 91 5.120 14.171 -6.873 1.00 0.00 C ATOM 1346 O GLN A 91 6.165 14.538 -7.408 1.00 0.00 O ATOM 1347 CB GLN A 91 3.018 14.879 -8.030 1.00 0.00 C ATOM 1348 CG GLN A 91 3.746 15.053 -9.353 1.00 0.00 C ATOM 1349 CD GLN A 91 3.170 14.185 -10.455 1.00 0.00 C ATOM 1350 OE1 GLN A 91 3.744 13.157 -10.814 1.00 0.00 O ATOM 1351 NE2 GLN A 91 2.030 14.595 -10.997 1.00 0.00 N ATOM 0 H GLN A 91 5.295 16.660 -6.996 1.00 0.00 H new ATOM 0 HA GLN A 91 3.343 14.860 -5.906 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.595 13.875 -7.987 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.183 15.578 -7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.696 16.099 -9.656 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.800 14.810 -9.218 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.589 15.454 -10.668 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.595 14.051 -11.742 1.00 0.00 H new ATOM 1360 N ASN A 92 4.970 12.969 -6.326 1.00 0.00 N ATOM 1361 CA ASN A 92 6.051 11.991 -6.323 1.00 0.00 C ATOM 1362 C ASN A 92 5.512 10.583 -6.558 1.00 0.00 C ATOM 1363 O ASN A 92 4.300 10.372 -6.611 1.00 0.00 O ATOM 1364 CB ASN A 92 6.810 12.043 -4.995 1.00 0.00 C ATOM 1365 CG ASN A 92 8.121 11.282 -5.048 1.00 0.00 C ATOM 1366 OD1 ASN A 92 8.726 11.139 -6.111 1.00 0.00 O ATOM 1367 ND2 ASN A 92 8.566 10.790 -3.898 1.00 0.00 N ATOM 0 H ASN A 92 4.111 12.649 -5.879 1.00 0.00 H new ATOM 0 HA ASN A 92 6.734 12.240 -7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.007 13.082 -4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.184 11.628 -4.205 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.443 10.269 -3.871 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.031 10.933 -3.041 1.00 0.00 H new ATOM 1374 N SER A 93 6.420 9.623 -6.696 1.00 0.00 N ATOM 1375 CA SER A 93 6.036 8.235 -6.929 1.00 0.00 C ATOM 1376 C SER A 93 7.008 7.280 -6.242 1.00 0.00 C ATOM 1377 O SER A 93 8.174 7.612 -6.026 1.00 0.00 O ATOM 1378 CB SER A 93 5.990 7.941 -8.429 1.00 0.00 C ATOM 1379 OG SER A 93 7.199 8.323 -9.062 1.00 0.00 O ATOM 0 H SER A 93 7.427 9.780 -6.651 1.00 0.00 H new ATOM 0 HA SER A 93 5.043 8.083 -6.506 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.813 6.877 -8.589 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.155 8.475 -8.882 1.00 0.00 H new ATOM 0 HG SER A 93 7.144 8.123 -10.020 1.00 0.00 H new ATOM 1385 N PHE A 94 6.519 6.093 -5.900 1.00 0.00 N ATOM 1386 CA PHE A 94 7.343 5.089 -5.236 1.00 0.00 C ATOM 1387 C PHE A 94 6.835 3.682 -5.539 1.00 0.00 C ATOM 1388 O PHE A 94 5.633 3.421 -5.489 1.00 0.00 O ATOM 1389 CB PHE A 94 7.353 5.326 -3.724 1.00 0.00 C ATOM 1390 CG PHE A 94 6.259 4.598 -2.996 1.00 0.00 C ATOM 1391 CD1 PHE A 94 6.422 3.275 -2.617 1.00 0.00 C ATOM 1392 CD2 PHE A 94 5.068 5.237 -2.691 1.00 0.00 C ATOM 1393 CE1 PHE A 94 5.416 2.604 -1.948 1.00 0.00 C ATOM 1394 CE2 PHE A 94 4.059 4.570 -2.022 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.234 3.252 -1.649 1.00 0.00 C ATOM 0 H PHE A 94 5.556 5.802 -6.071 1.00 0.00 H new ATOM 0 HA PHE A 94 8.360 5.179 -5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.317 5.014 -3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.258 6.395 -3.531 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.345 2.763 -2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.926 6.268 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.554 1.573 -1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.135 5.079 -1.791 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.448 2.729 -1.124 1.00 0.00 H new ATOM 1405 N SER A 95 7.760 2.781 -5.853 1.00 0.00 N ATOM 1406 CA SER A 95 7.407 1.402 -6.168 1.00 0.00 C ATOM 1407 C SER A 95 7.905 0.452 -5.084 1.00 0.00 C ATOM 1408 O SER A 95 8.692 0.837 -4.218 1.00 0.00 O ATOM 1409 CB SER A 95 7.993 1.000 -7.523 1.00 0.00 C ATOM 1410 OG SER A 95 9.368 0.675 -7.407 1.00 0.00 O ATOM 0 H SER A 95 8.759 2.981 -5.896 1.00 0.00 H new ATOM 0 HA SER A 95 6.320 1.333 -6.215 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.446 0.145 -7.920 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.868 1.817 -8.234 1.00 0.00 H new ATOM 0 HG SER A 95 9.719 0.420 -8.286 1.00 0.00 H new ATOM 1416 N LEU A 96 7.440 -0.792 -5.136 1.00 0.00 N ATOM 1417 CA LEU A 96 7.838 -1.799 -4.159 1.00 0.00 C ATOM 1418 C LEU A 96 7.628 -3.206 -4.710 1.00 0.00 C ATOM 1419 O LEU A 96 6.879 -3.402 -5.666 1.00 0.00 O ATOM 1420 CB LEU A 96 7.043 -1.623 -2.864 1.00 0.00 C ATOM 1421 CG LEU A 96 5.599 -2.124 -2.889 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.538 -3.595 -2.509 1.00 0.00 C ATOM 1423 CD2 LEU A 96 4.730 -1.294 -1.955 1.00 0.00 C ATOM 0 H LEU A 96 6.787 -1.127 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 96 8.899 -1.666 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.572 -2.140 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.034 -0.564 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 96 5.215 -2.015 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.502 -3.934 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.127 -4.178 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.941 -3.728 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.706 -1.665 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.113 -1.371 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.748 -0.251 -2.272 1.00 0.00 H new ATOM 1435 N GLU A 97 8.293 -4.181 -4.098 1.00 0.00 N ATOM 1436 CA GLU A 97 8.177 -5.570 -4.528 1.00 0.00 C ATOM 1437 C GLU A 97 7.523 -6.422 -3.444 1.00 0.00 C ATOM 1438 O GLU A 97 7.889 -6.343 -2.271 1.00 0.00 O ATOM 1439 CB GLU A 97 9.556 -6.136 -4.875 1.00 0.00 C ATOM 1440 CG GLU A 97 9.526 -7.596 -5.296 1.00 0.00 C ATOM 1441 CD GLU A 97 10.632 -7.944 -6.273 1.00 0.00 C ATOM 1442 OE1 GLU A 97 11.773 -7.481 -6.067 1.00 0.00 O ATOM 1443 OE2 GLU A 97 10.355 -8.679 -7.243 1.00 0.00 O ATOM 0 H GLU A 97 8.917 -4.035 -3.304 1.00 0.00 H new ATOM 0 HA GLU A 97 7.547 -5.598 -5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.991 -5.543 -5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.211 -6.029 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.615 -8.227 -4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.561 -7.819 -5.751 1.00 0.00 H new ATOM 1450 N LEU A 98 6.552 -7.235 -3.845 1.00 0.00 N ATOM 1451 CA LEU A 98 5.846 -8.103 -2.909 1.00 0.00 C ATOM 1452 C LEU A 98 5.714 -9.516 -3.469 1.00 0.00 C ATOM 1453 O LEU A 98 5.145 -9.719 -4.541 1.00 0.00 O ATOM 1454 CB LEU A 98 4.460 -7.533 -2.602 1.00 0.00 C ATOM 1455 CG LEU A 98 3.481 -8.483 -1.912 1.00 0.00 C ATOM 1456 CD1 LEU A 98 4.042 -8.950 -0.577 1.00 0.00 C ATOM 1457 CD2 LEU A 98 2.130 -7.809 -1.718 1.00 0.00 C ATOM 0 H LEU A 98 6.236 -7.311 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 98 6.426 -8.150 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.583 -6.651 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.012 -7.198 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 98 3.341 -9.356 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.332 -9.625 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.985 -9.472 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.212 -8.088 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.446 -8.500 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.253 -6.919 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.722 -7.525 -2.688 1.00 0.00 H new ATOM 1469 N VAL A 99 6.243 -10.489 -2.734 1.00 0.00 N ATOM 1470 CA VAL A 99 6.182 -11.884 -3.155 1.00 0.00 C ATOM 1471 C VAL A 99 5.141 -12.655 -2.353 1.00 0.00 C ATOM 1472 O VAL A 99 4.949 -12.406 -1.163 1.00 0.00 O ATOM 1473 CB VAL A 99 7.549 -12.577 -3.001 1.00 0.00 C ATOM 1474 CG1 VAL A 99 7.523 -13.958 -3.638 1.00 0.00 C ATOM 1475 CG2 VAL A 99 8.651 -11.722 -3.609 1.00 0.00 C ATOM 0 H VAL A 99 6.718 -10.337 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 99 5.899 -11.885 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 99 7.758 -12.697 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.497 -14.432 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.761 -14.568 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.292 -13.865 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.610 -12.227 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.449 -11.569 -4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.684 -10.757 -3.103 1.00 0.00 H new ATOM 1485 N VAL A 100 4.470 -13.594 -3.012 1.00 0.00 N ATOM 1486 CA VAL A 100 3.448 -14.404 -2.360 1.00 0.00 C ATOM 1487 C VAL A 100 3.654 -15.887 -2.651 1.00 0.00 C ATOM 1488 O VAL A 100 3.545 -16.326 -3.795 1.00 0.00 O ATOM 1489 CB VAL A 100 2.034 -13.995 -2.813 1.00 0.00 C ATOM 1490 CG1 VAL A 100 1.003 -14.997 -2.316 1.00 0.00 C ATOM 1491 CG2 VAL A 100 1.704 -12.592 -2.326 1.00 0.00 C ATOM 0 H VAL A 100 4.616 -13.813 -3.998 1.00 0.00 H new ATOM 0 HA VAL A 100 3.542 -14.230 -1.288 1.00 0.00 H new ATOM 0 HB VAL A 100 2.007 -13.993 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.010 -14.691 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.231 -15.984 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.028 -15.035 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.701 -12.319 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.749 -12.565 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.425 -11.885 -2.736 1.00 0.00 H new ATOM 1501 N ALA A 101 3.950 -16.653 -1.606 1.00 0.00 N ATOM 1502 CA ALA A 101 4.169 -18.087 -1.749 1.00 0.00 C ATOM 1503 C ALA A 101 2.860 -18.858 -1.612 1.00 0.00 C ATOM 1504 O ALA A 101 2.210 -18.814 -0.568 1.00 0.00 O ATOM 1505 CB ALA A 101 5.179 -18.572 -0.720 1.00 0.00 C ATOM 0 H ALA A 101 4.044 -16.305 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 101 4.567 -18.271 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.333 -19.645 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.126 -18.051 -0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.803 -18.368 0.283 1.00 0.00 H new ATOM 1511 N ALA A 102 2.480 -19.563 -2.672 1.00 0.00 N ATOM 1512 CA ALA A 102 1.250 -20.345 -2.669 1.00 0.00 C ATOM 1513 C ALA A 102 1.091 -21.113 -1.362 1.00 0.00 C ATOM 1514 O ALA A 102 2.052 -21.290 -0.612 1.00 0.00 O ATOM 1515 CB ALA A 102 1.229 -21.301 -3.852 1.00 0.00 C ATOM 0 H ALA A 102 3.007 -19.609 -3.544 1.00 0.00 H new ATOM 0 HA ALA A 102 0.410 -19.656 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.305 -21.878 -3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.287 -20.733 -4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.081 -21.978 -3.788 1.00 0.00 H new