USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 828 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 86 TYR OH : rot -146:sc= 0.636 USER MOD Set 1.2: A 90 GLN : amide:sc= -2.09! C(o=-1.5!,f=-4.4!) USER MOD Set 2.1: A 57 CYS SG : rot -26:sc= -4.13 USER MOD Set 2.2: A 89 HIS : no HD1:sc= -11.5! C(o=-16!,f=-20!) USER MOD Set 3.1: A 29 TYR OH : rot 30:sc= -1.03 USER MOD Set 3.2: A 97 THR OG1 : rot 180:sc= -0.026 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -1.02 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 167:sc=-0.00222 (180deg=-0.0891) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.307 K(o=-0.31,f=-1.9!) USER MOD Single : A 30 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.178) USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= -0.176 (180deg=-0.689) USER MOD Single : A 33 HIS :FLIP no HE2:sc= -4.06! C(o=-5.9!,f=-4.1!) USER MOD Single : A 38 SER OG : rot -72:sc= 0.566 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -66:sc= 0.804 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc=-0.00778 K(o=-0.0078,f=-0.68) USER MOD Single : A 67 SER OG : rot 180:sc=-0.00815 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -57:sc= 1.07 USER MOD Single : A 72 SER OG : rot 180:sc= 0.378 USER MOD Single : A 77 SER OG : rot -117:sc= 0.421 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.8) USER MOD Single : A 81 THR OG1 : rot 97:sc= 0.465 USER MOD Single : A 87 CYS SG : rot -50:sc= -5.25! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N SER A 6 -6.936 6.444 -3.320 1.00 0.00 N ATOM 95 CA SER A 6 -6.969 6.137 -4.739 1.00 0.00 C ATOM 96 C SER A 6 -6.295 4.788 -4.998 1.00 0.00 C ATOM 97 O SER A 6 -6.765 4.004 -5.822 1.00 0.00 O ATOM 98 CB SER A 6 -6.288 7.237 -5.556 1.00 0.00 C ATOM 99 OG SER A 6 -7.230 8.029 -6.274 1.00 0.00 O ATOM 0 HA SER A 6 -8.011 6.081 -5.053 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.709 7.877 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.585 6.786 -6.256 1.00 0.00 H new ATOM 0 HG SER A 6 -6.756 8.721 -6.781 1.00 0.00 H new ATOM 105 N VAL A 7 -5.205 4.559 -4.282 1.00 0.00 N ATOM 106 CA VAL A 7 -4.461 3.319 -4.423 1.00 0.00 C ATOM 107 C VAL A 7 -5.329 2.152 -3.947 1.00 0.00 C ATOM 108 O VAL A 7 -5.552 1.196 -4.688 1.00 0.00 O ATOM 109 CB VAL A 7 -3.131 3.418 -3.676 1.00 0.00 C ATOM 110 CG1 VAL A 7 -2.637 2.034 -3.250 1.00 0.00 C ATOM 111 CG2 VAL A 7 -2.079 4.139 -4.523 1.00 0.00 C ATOM 0 H VAL A 7 -4.818 5.212 -3.601 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.217 3.137 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.296 4.007 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.689 2.133 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.373 1.571 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.496 1.410 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.142 4.196 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.919 3.589 -5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.426 5.146 -4.754 1.00 0.00 H new ATOM 121 N LEU A 8 -5.795 2.269 -2.712 1.00 0.00 N ATOM 122 CA LEU A 8 -6.632 1.235 -2.127 1.00 0.00 C ATOM 123 C LEU A 8 -8.012 1.820 -1.815 1.00 0.00 C ATOM 124 O LEU A 8 -8.120 2.831 -1.124 1.00 0.00 O ATOM 125 CB LEU A 8 -5.942 0.607 -0.915 1.00 0.00 C ATOM 126 CG LEU A 8 -4.723 -0.268 -1.216 1.00 0.00 C ATOM 127 CD1 LEU A 8 -3.473 0.275 -0.521 1.00 0.00 C ATOM 128 CD2 LEU A 8 -4.994 -1.729 -0.851 1.00 0.00 C ATOM 0 H LEU A 8 -5.609 3.064 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.782 0.420 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.633 1.407 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.674 0.004 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.534 -0.234 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.621 -0.365 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.272 1.287 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.634 0.291 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.112 -2.329 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.223 -1.802 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.840 -2.098 -1.430 1.00 0.00 H new ATOM 140 N SER A 9 -9.033 1.156 -2.339 1.00 0.00 N ATOM 141 CA SER A 9 -10.401 1.597 -2.125 1.00 0.00 C ATOM 142 C SER A 9 -10.824 1.307 -0.684 1.00 0.00 C ATOM 143 O SER A 9 -10.008 0.885 0.134 1.00 0.00 O ATOM 144 CB SER A 9 -11.358 0.920 -3.107 1.00 0.00 C ATOM 145 OG SER A 9 -12.079 -0.148 -2.498 1.00 0.00 O ATOM 0 H SER A 9 -8.940 0.317 -2.911 1.00 0.00 H new ATOM 0 HA SER A 9 -10.446 2.672 -2.300 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.061 1.657 -3.495 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.794 0.538 -3.958 1.00 0.00 H new ATOM 0 HG SER A 9 -12.681 -0.554 -3.157 1.00 0.00 H new ATOM 151 N GLY A 10 -12.100 1.543 -0.417 1.00 0.00 N ATOM 152 CA GLY A 10 -12.642 1.312 0.911 1.00 0.00 C ATOM 153 C GLY A 10 -12.434 -0.142 1.343 1.00 0.00 C ATOM 154 O GLY A 10 -11.814 -0.403 2.373 1.00 0.00 O ATOM 0 H GLY A 10 -12.774 1.892 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.161 1.980 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.706 1.549 0.920 1.00 0.00 H new ATOM 158 N GLY A 11 -12.963 -1.048 0.535 1.00 0.00 N ATOM 159 CA GLY A 11 -12.843 -2.467 0.820 1.00 0.00 C ATOM 160 C GLY A 11 -11.388 -2.928 0.707 1.00 0.00 C ATOM 161 O GLY A 11 -10.909 -3.696 1.540 1.00 0.00 O ATOM 0 H GLY A 11 -13.476 -0.827 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.217 -2.673 1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.463 -3.035 0.126 1.00 0.00 H new ATOM 165 N GLU A 12 -10.724 -2.437 -0.330 1.00 0.00 N ATOM 166 CA GLU A 12 -9.333 -2.789 -0.563 1.00 0.00 C ATOM 167 C GLU A 12 -8.469 -2.344 0.618 1.00 0.00 C ATOM 168 O GLU A 12 -7.459 -2.975 0.926 1.00 0.00 O ATOM 169 CB GLU A 12 -8.827 -2.183 -1.873 1.00 0.00 C ATOM 170 CG GLU A 12 -9.902 -2.248 -2.959 1.00 0.00 C ATOM 171 CD GLU A 12 -9.343 -2.846 -4.251 1.00 0.00 C ATOM 172 OE1 GLU A 12 -8.811 -3.974 -4.170 1.00 0.00 O ATOM 173 OE2 GLU A 12 -9.458 -2.161 -5.290 1.00 0.00 O ATOM 0 H GLU A 12 -11.123 -1.799 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.262 -3.873 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.533 -1.146 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.937 -2.717 -2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.741 -2.850 -2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.287 -1.247 -3.154 1.00 0.00 H new ATOM 180 N LEU A 13 -8.896 -1.258 1.247 1.00 0.00 N ATOM 181 CA LEU A 13 -8.173 -0.721 2.387 1.00 0.00 C ATOM 182 C LEU A 13 -8.435 -1.600 3.612 1.00 0.00 C ATOM 183 O LEU A 13 -7.509 -1.939 4.346 1.00 0.00 O ATOM 184 CB LEU A 13 -8.528 0.752 2.600 1.00 0.00 C ATOM 185 CG LEU A 13 -7.652 1.516 3.596 1.00 0.00 C ATOM 186 CD1 LEU A 13 -7.564 0.772 4.930 1.00 0.00 C ATOM 187 CD2 LEU A 13 -6.270 1.799 3.005 1.00 0.00 C ATOM 0 H LEU A 13 -9.733 -0.736 0.988 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.099 -0.743 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.477 1.260 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.563 0.811 2.937 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.120 2.480 3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.936 1.335 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.563 0.665 5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.130 -0.215 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.667 2.343 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.780 0.857 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.377 2.399 2.101 1.00 0.00 H new ATOM 199 N ASP A 14 -9.701 -1.942 3.794 1.00 0.00 N ATOM 200 CA ASP A 14 -10.097 -2.776 4.918 1.00 0.00 C ATOM 201 C ASP A 14 -9.327 -4.096 4.864 1.00 0.00 C ATOM 202 O ASP A 14 -8.897 -4.611 5.895 1.00 0.00 O ATOM 203 CB ASP A 14 -11.592 -3.097 4.866 1.00 0.00 C ATOM 204 CG ASP A 14 -12.145 -3.804 6.105 1.00 0.00 C ATOM 205 OD1 ASP A 14 -11.639 -4.909 6.400 1.00 0.00 O ATOM 206 OD2 ASP A 14 -13.061 -3.225 6.728 1.00 0.00 O ATOM 0 H ASP A 14 -10.467 -1.658 3.183 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.877 -2.231 5.836 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.143 -2.168 4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.784 -3.722 3.994 1.00 0.00 H new ATOM 211 N LYS A 15 -9.176 -4.607 3.651 1.00 0.00 N ATOM 212 CA LYS A 15 -8.466 -5.859 3.449 1.00 0.00 C ATOM 213 C LYS A 15 -6.959 -5.604 3.534 1.00 0.00 C ATOM 214 O LYS A 15 -6.226 -6.392 4.130 1.00 0.00 O ATOM 215 CB LYS A 15 -8.905 -6.519 2.140 1.00 0.00 C ATOM 216 CG LYS A 15 -8.388 -7.957 2.051 1.00 0.00 C ATOM 217 CD LYS A 15 -9.481 -8.956 2.429 1.00 0.00 C ATOM 218 CE LYS A 15 -9.038 -9.838 3.598 1.00 0.00 C ATOM 219 NZ LYS A 15 -10.154 -10.697 4.052 1.00 0.00 N ATOM 0 H LYS A 15 -9.533 -4.177 2.798 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.715 -6.570 4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.993 -6.515 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.532 -5.941 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.039 -8.160 1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.532 -8.081 2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.391 -8.420 2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.721 -9.580 1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.195 -10.458 3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.694 -9.213 4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.836 -11.289 4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.948 -10.100 4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.464 -11.306 3.268 1.00 0.00 H new ATOM 233 N TRP A 16 -6.543 -4.501 2.930 1.00 0.00 N ATOM 234 CA TRP A 16 -5.137 -4.133 2.929 1.00 0.00 C ATOM 235 C TRP A 16 -4.675 -4.036 4.384 1.00 0.00 C ATOM 236 O TRP A 16 -3.520 -4.331 4.693 1.00 0.00 O ATOM 237 CB TRP A 16 -4.909 -2.841 2.142 1.00 0.00 C ATOM 238 CG TRP A 16 -3.752 -1.989 2.667 1.00 0.00 C ATOM 239 CD1 TRP A 16 -3.778 -1.080 3.651 1.00 0.00 C ATOM 240 CD2 TRP A 16 -2.389 -2.003 2.192 1.00 0.00 C ATOM 241 NE1 TRP A 16 -2.536 -0.509 3.844 1.00 0.00 N ATOM 242 CE2 TRP A 16 -1.665 -1.088 2.929 1.00 0.00 C ATOM 243 CE3 TRP A 16 -1.788 -2.763 1.173 1.00 0.00 C ATOM 244 CZ2 TRP A 16 -0.300 -0.849 2.726 1.00 0.00 C ATOM 245 CZ3 TRP A 16 -0.424 -2.512 0.983 1.00 0.00 C ATOM 246 CH2 TRP A 16 0.319 -1.594 1.717 1.00 0.00 C ATOM 0 H TRP A 16 -7.155 -3.850 2.438 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.539 -4.891 2.423 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.718 -3.092 1.099 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.823 -2.248 2.165 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.659 -0.826 4.221 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.301 0.206 4.532 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.335 -3.483 0.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 0.245 -0.128 3.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 0.087 -3.070 0.213 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.370 -1.457 1.509 1.00 0.00 H new ATOM 257 N GLU A 17 -5.598 -3.621 5.239 1.00 0.00 N ATOM 258 CA GLU A 17 -5.298 -3.481 6.655 1.00 0.00 C ATOM 259 C GLU A 17 -5.605 -4.785 7.393 1.00 0.00 C ATOM 260 O GLU A 17 -5.989 -4.765 8.562 1.00 0.00 O ATOM 261 CB GLU A 17 -6.070 -2.310 7.265 1.00 0.00 C ATOM 262 CG GLU A 17 -7.564 -2.629 7.363 1.00 0.00 C ATOM 263 CD GLU A 17 -8.293 -1.585 8.210 1.00 0.00 C ATOM 264 OE1 GLU A 17 -8.051 -0.384 7.965 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.077 -2.012 9.086 1.00 0.00 O ATOM 0 H GLU A 17 -6.554 -3.377 4.979 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.235 -3.267 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.676 -2.088 8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.924 -1.417 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.999 -2.660 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.700 -3.618 7.801 1.00 0.00 H new ATOM 272 N LYS A 18 -5.425 -5.888 6.681 1.00 0.00 N ATOM 273 CA LYS A 18 -5.678 -7.199 7.255 1.00 0.00 C ATOM 274 C LYS A 18 -4.375 -7.998 7.284 1.00 0.00 C ATOM 275 O LYS A 18 -4.325 -9.091 7.846 1.00 0.00 O ATOM 276 CB LYS A 18 -6.814 -7.901 6.507 1.00 0.00 C ATOM 277 CG LYS A 18 -7.626 -8.788 7.452 1.00 0.00 C ATOM 278 CD LYS A 18 -7.189 -10.250 7.342 1.00 0.00 C ATOM 279 CE LYS A 18 -7.938 -11.124 8.350 1.00 0.00 C ATOM 280 NZ LYS A 18 -8.318 -12.416 7.736 1.00 0.00 N ATOM 0 H LYS A 18 -5.107 -5.901 5.712 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.017 -7.104 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.467 -7.158 6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.403 -8.505 5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.500 -8.443 8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.687 -8.703 7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.375 -10.614 6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.116 -10.326 7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.311 -11.301 9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.830 -10.604 8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.825 -12.996 8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.934 -12.243 6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.462 -12.918 7.425 1.00 0.00 H new ATOM 294 N ILE A 19 -3.352 -7.424 6.669 1.00 0.00 N ATOM 295 CA ILE A 19 -2.051 -8.069 6.618 1.00 0.00 C ATOM 296 C ILE A 19 -1.250 -7.693 7.866 1.00 0.00 C ATOM 297 O ILE A 19 -1.174 -6.521 8.230 1.00 0.00 O ATOM 298 CB ILE A 19 -1.338 -7.734 5.306 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.266 -7.943 4.108 1.00 0.00 C ATOM 300 CG2 ILE A 19 -0.037 -8.528 5.169 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.808 -6.608 3.595 1.00 0.00 C ATOM 0 H ILE A 19 -3.398 -6.519 6.201 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.163 -9.153 6.626 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.069 -6.678 5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.726 -8.451 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.095 -8.590 4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.449 -8.271 4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.627 -8.285 5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.259 -9.595 5.183 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.465 -6.785 2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.368 -6.114 4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.978 -5.972 3.287 1.00 0.00 H new ATOM 313 N ARG A 20 -0.672 -8.711 8.488 1.00 0.00 N ATOM 314 CA ARG A 20 0.120 -8.503 9.688 1.00 0.00 C ATOM 315 C ARG A 20 1.555 -8.122 9.318 1.00 0.00 C ATOM 316 O ARG A 20 2.063 -8.538 8.277 1.00 0.00 O ATOM 317 CB ARG A 20 0.143 -9.761 10.558 1.00 0.00 C ATOM 318 CG ARG A 20 -1.162 -9.909 11.343 1.00 0.00 C ATOM 319 CD ARG A 20 -0.972 -10.824 12.555 1.00 0.00 C ATOM 320 NE ARG A 20 -1.054 -12.241 12.137 1.00 0.00 N ATOM 321 CZ ARG A 20 -2.202 -12.877 11.861 1.00 0.00 C ATOM 322 NH1 ARG A 20 -3.369 -12.227 11.958 1.00 0.00 N ATOM 323 NH2 ARG A 20 -2.180 -14.164 11.489 1.00 0.00 N ATOM 0 H ARG A 20 -0.737 -9.682 8.183 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.341 -7.693 10.252 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.295 -10.639 9.930 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.984 -9.714 11.250 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.505 -8.929 11.673 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.937 -10.316 10.694 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.006 -10.629 13.020 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.735 -10.612 13.304 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.184 -12.766 12.054 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.385 -11.247 12.242 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.242 -12.712 11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.291 -14.659 11.416 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.052 -14.649 11.279 1.00 0.00 H new ATOM 337 N LEU A 21 2.167 -7.334 10.188 1.00 0.00 N ATOM 338 CA LEU A 21 3.533 -6.892 9.966 1.00 0.00 C ATOM 339 C LEU A 21 4.499 -8.004 10.379 1.00 0.00 C ATOM 340 O LEU A 21 5.509 -8.233 9.716 1.00 0.00 O ATOM 341 CB LEU A 21 3.788 -5.561 10.676 1.00 0.00 C ATOM 342 CG LEU A 21 3.024 -4.353 10.131 1.00 0.00 C ATOM 343 CD1 LEU A 21 3.321 -3.098 10.953 1.00 0.00 C ATOM 344 CD2 LEU A 21 3.314 -4.145 8.643 1.00 0.00 C ATOM 0 H LEU A 21 1.742 -6.990 11.049 1.00 0.00 H new ATOM 0 HA LEU A 21 3.703 -6.699 8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.536 -5.680 11.730 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.855 -5.344 10.626 1.00 0.00 H new ATOM 0 HG LEU A 21 1.957 -4.555 10.226 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.765 -2.255 10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.022 -3.262 11.988 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.389 -2.882 10.914 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.758 -3.280 8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.381 -3.976 8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.009 -5.031 8.086 1.00 0.00 H new ATOM 356 N ARG A 22 4.155 -8.666 11.475 1.00 0.00 N ATOM 357 CA ARG A 22 4.978 -9.749 11.985 1.00 0.00 C ATOM 358 C ARG A 22 4.119 -10.983 12.266 1.00 0.00 C ATOM 359 O ARG A 22 2.929 -10.862 12.556 1.00 0.00 O ATOM 360 CB ARG A 22 5.698 -9.334 13.270 1.00 0.00 C ATOM 361 CG ARG A 22 6.953 -8.515 12.956 1.00 0.00 C ATOM 362 CD ARG A 22 6.751 -7.043 13.320 1.00 0.00 C ATOM 363 NE ARG A 22 8.007 -6.480 13.863 1.00 0.00 N ATOM 364 CZ ARG A 22 8.384 -6.580 15.145 1.00 0.00 C ATOM 365 NH1 ARG A 22 7.603 -7.223 16.024 1.00 0.00 N ATOM 366 NH2 ARG A 22 9.541 -6.038 15.548 1.00 0.00 N ATOM 0 H ARG A 22 3.317 -8.473 12.024 1.00 0.00 H new ATOM 0 HA ARG A 22 5.722 -9.986 11.224 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.024 -8.748 13.896 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.972 -10.222 13.840 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.802 -8.917 13.509 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.193 -8.602 11.896 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.442 -6.481 12.439 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.952 -6.948 14.055 1.00 0.00 H new ATOM 0 HE ARG A 22 8.625 -5.984 13.221 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.722 -7.636 15.717 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.889 -7.300 17.000 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.135 -5.549 14.879 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.827 -6.114 16.524 1.00 0.00 H new ATOM 380 N PRO A 23 4.771 -12.172 12.167 1.00 0.00 N ATOM 381 CA PRO A 23 4.078 -13.427 12.407 1.00 0.00 C ATOM 382 C PRO A 23 3.839 -13.643 13.903 1.00 0.00 C ATOM 383 O PRO A 23 2.806 -14.182 14.297 1.00 0.00 O ATOM 384 CB PRO A 23 4.969 -14.492 11.787 1.00 0.00 C ATOM 385 CG PRO A 23 6.340 -13.853 11.637 1.00 0.00 C ATOM 386 CD PRO A 23 6.179 -12.353 11.825 1.00 0.00 C ATOM 0 HA PRO A 23 3.083 -13.451 11.963 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.018 -15.377 12.421 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.580 -14.813 10.821 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.033 -14.258 12.375 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.758 -14.072 10.654 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.830 -11.981 12.616 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.439 -11.810 10.916 1.00 0.00 H new ATOM 394 N GLY A 24 4.810 -13.213 14.693 1.00 0.00 N ATOM 395 CA GLY A 24 4.718 -13.353 16.137 1.00 0.00 C ATOM 396 C GLY A 24 4.336 -12.025 16.793 1.00 0.00 C ATOM 397 O GLY A 24 4.198 -11.947 18.013 1.00 0.00 O ATOM 0 H GLY A 24 5.665 -12.767 14.361 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.977 -14.112 16.386 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.673 -13.698 16.534 1.00 0.00 H new ATOM 401 N GLY A 25 4.175 -11.012 15.955 1.00 0.00 N ATOM 402 CA GLY A 25 3.812 -9.690 16.438 1.00 0.00 C ATOM 403 C GLY A 25 2.298 -9.478 16.367 1.00 0.00 C ATOM 404 O GLY A 25 1.549 -10.413 16.091 1.00 0.00 O ATOM 0 H GLY A 25 4.289 -11.080 14.944 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.152 -9.568 17.466 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.318 -8.930 15.843 1.00 0.00 H new ATOM 408 N LYS A 26 1.894 -8.242 16.623 1.00 0.00 N ATOM 409 CA LYS A 26 0.484 -7.894 16.591 1.00 0.00 C ATOM 410 C LYS A 26 0.302 -6.583 15.824 1.00 0.00 C ATOM 411 O LYS A 26 -0.421 -5.693 16.270 1.00 0.00 O ATOM 412 CB LYS A 26 -0.092 -7.862 18.009 1.00 0.00 C ATOM 413 CG LYS A 26 0.521 -6.721 18.824 1.00 0.00 C ATOM 414 CD LYS A 26 1.101 -7.238 20.142 1.00 0.00 C ATOM 415 CE LYS A 26 1.075 -6.150 21.216 1.00 0.00 C ATOM 416 NZ LYS A 26 -0.298 -5.966 21.736 1.00 0.00 N ATOM 0 H LYS A 26 2.519 -7.469 16.853 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.084 -8.656 16.057 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.174 -7.740 17.963 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.101 -8.813 18.505 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.305 -6.235 18.243 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.239 -5.966 19.028 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.530 -8.102 20.481 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.126 -7.575 19.985 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.746 -6.420 22.032 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.441 -5.211 20.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.267 -5.394 22.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.878 -5.481 21.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.716 -6.894 21.949 1.00 0.00 H new ATOM 430 N LYS A 27 0.972 -6.505 14.683 1.00 0.00 N ATOM 431 CA LYS A 27 0.894 -5.317 13.850 1.00 0.00 C ATOM 432 C LYS A 27 0.344 -5.700 12.475 1.00 0.00 C ATOM 433 O LYS A 27 0.318 -6.876 12.118 1.00 0.00 O ATOM 434 CB LYS A 27 2.249 -4.611 13.796 1.00 0.00 C ATOM 435 CG LYS A 27 2.517 -3.836 15.087 1.00 0.00 C ATOM 436 CD LYS A 27 2.277 -2.338 14.889 1.00 0.00 C ATOM 437 CE LYS A 27 3.157 -1.512 15.828 1.00 0.00 C ATOM 438 NZ LYS A 27 3.035 -0.070 15.518 1.00 0.00 N ATOM 0 H LYS A 27 1.571 -7.245 14.316 1.00 0.00 H new ATOM 0 HA LYS A 27 0.202 -4.594 14.281 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.039 -5.345 13.638 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.273 -3.928 12.947 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.870 -4.210 15.880 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.545 -4.004 15.409 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.488 -2.066 13.855 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.228 -2.107 15.072 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.866 -1.694 16.863 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.197 -1.824 15.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.639 0.476 16.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.335 0.101 14.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.045 0.228 15.634 1.00 0.00 H new ATOM 452 N GLN A 28 -0.082 -4.684 11.740 1.00 0.00 N ATOM 453 CA GLN A 28 -0.630 -4.899 10.411 1.00 0.00 C ATOM 454 C GLN A 28 -0.438 -3.649 9.550 1.00 0.00 C ATOM 455 O GLN A 28 0.131 -2.658 10.004 1.00 0.00 O ATOM 456 CB GLN A 28 -2.107 -5.293 10.484 1.00 0.00 C ATOM 457 CG GLN A 28 -2.881 -4.347 11.405 1.00 0.00 C ATOM 458 CD GLN A 28 -3.877 -5.120 12.272 1.00 0.00 C ATOM 459 OE1 GLN A 28 -3.707 -6.292 12.562 1.00 0.00 O ATOM 460 NE2 GLN A 28 -4.922 -4.399 12.669 1.00 0.00 N ATOM 0 H GLN A 28 -0.059 -3.709 12.039 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.091 -5.724 9.945 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.543 -5.271 9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.197 -6.316 10.849 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.184 -3.803 12.042 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.412 -3.606 10.808 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.003 -3.421 12.390 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.643 -4.824 13.253 1.00 0.00 H new ATOM 469 N TYR A 29 -0.924 -3.737 8.320 1.00 0.00 N ATOM 470 CA TYR A 29 -0.813 -2.626 7.390 1.00 0.00 C ATOM 471 C TYR A 29 -1.864 -1.555 7.687 1.00 0.00 C ATOM 472 O TYR A 29 -2.889 -1.840 8.304 1.00 0.00 O ATOM 473 CB TYR A 29 -1.076 -3.211 6.001 1.00 0.00 C ATOM 474 CG TYR A 29 0.156 -3.837 5.344 1.00 0.00 C ATOM 475 CD1 TYR A 29 1.049 -4.561 6.106 1.00 0.00 C ATOM 476 CD2 TYR A 29 0.373 -3.675 3.991 1.00 0.00 C ATOM 477 CE1 TYR A 29 2.210 -5.150 5.488 1.00 0.00 C ATOM 478 CE2 TYR A 29 1.534 -4.264 3.373 1.00 0.00 C ATOM 479 CZ TYR A 29 2.394 -4.973 4.152 1.00 0.00 C ATOM 480 OH TYR A 29 3.490 -5.528 3.569 1.00 0.00 O ATOM 0 H TYR A 29 -1.395 -4.561 7.946 1.00 0.00 H new ATOM 0 HA TYR A 29 0.168 -2.157 7.467 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.857 -3.967 6.079 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.459 -2.423 5.353 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.878 -4.686 7.165 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.327 -3.107 3.396 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.918 -5.719 6.072 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.717 -4.145 2.315 1.00 0.00 H new ATOM 0 HH TYR A 29 3.741 -6.342 4.053 1.00 0.00 H new ATOM 490 N LYS A 30 -1.572 -0.344 7.235 1.00 0.00 N ATOM 491 CA LYS A 30 -2.480 0.771 7.445 1.00 0.00 C ATOM 492 C LYS A 30 -2.080 1.929 6.527 1.00 0.00 C ATOM 493 O LYS A 30 -1.114 1.821 5.773 1.00 0.00 O ATOM 494 CB LYS A 30 -2.530 1.150 8.926 1.00 0.00 C ATOM 495 CG LYS A 30 -3.951 1.026 9.476 1.00 0.00 C ATOM 496 CD LYS A 30 -4.065 1.676 10.856 1.00 0.00 C ATOM 497 CE LYS A 30 -3.493 0.761 11.942 1.00 0.00 C ATOM 498 NZ LYS A 30 -2.099 1.141 12.259 1.00 0.00 N ATOM 0 H LYS A 30 -0.720 -0.111 6.725 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.498 0.488 7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.859 0.504 9.493 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.174 2.172 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.653 1.498 8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.228 -0.026 9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.533 2.627 10.859 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.110 1.895 11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.107 0.825 12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.526 -0.276 11.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.553 0.289 12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.670 1.607 11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.093 1.794 13.068 1.00 0.00 H new ATOM 512 N LEU A 31 -2.841 3.008 6.623 1.00 0.00 N ATOM 513 CA LEU A 31 -2.577 4.184 5.811 1.00 0.00 C ATOM 514 C LEU A 31 -1.150 4.669 6.071 1.00 0.00 C ATOM 515 O LEU A 31 -0.581 5.397 5.260 1.00 0.00 O ATOM 516 CB LEU A 31 -3.644 5.254 6.055 1.00 0.00 C ATOM 517 CG LEU A 31 -4.532 5.603 4.859 1.00 0.00 C ATOM 518 CD1 LEU A 31 -5.970 5.134 5.089 1.00 0.00 C ATOM 519 CD2 LEU A 31 -4.460 7.096 4.539 1.00 0.00 C ATOM 0 H LEU A 31 -3.641 3.093 7.250 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.642 3.937 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.284 4.921 6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.147 6.164 6.391 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.155 5.069 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.580 5.394 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.982 4.053 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.374 5.620 5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.100 7.316 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.796 7.670 5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.432 7.368 4.301 1.00 0.00 H new ATOM 531 N LYS A 32 -0.612 4.244 7.205 1.00 0.00 N ATOM 532 CA LYS A 32 0.738 4.624 7.582 1.00 0.00 C ATOM 533 C LYS A 32 1.735 3.963 6.629 1.00 0.00 C ATOM 534 O LYS A 32 2.665 4.610 6.148 1.00 0.00 O ATOM 535 CB LYS A 32 0.993 4.308 9.056 1.00 0.00 C ATOM 536 CG LYS A 32 1.734 5.457 9.745 1.00 0.00 C ATOM 537 CD LYS A 32 3.239 5.192 9.785 1.00 0.00 C ATOM 538 CE LYS A 32 3.853 5.712 11.087 1.00 0.00 C ATOM 539 NZ LYS A 32 3.319 4.964 12.247 1.00 0.00 N ATOM 0 H LYS A 32 -1.088 3.640 7.875 1.00 0.00 H new ATOM 0 HA LYS A 32 0.871 5.701 7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.045 4.127 9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.578 3.392 9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.539 6.390 9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.356 5.582 10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.426 4.122 9.692 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.720 5.675 8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.938 5.611 11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.635 6.774 11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.023 4.961 13.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.446 5.420 12.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.112 3.985 11.963 1.00 0.00 H new ATOM 553 N HIS A 33 1.508 2.680 6.384 1.00 0.00 N ATOM 554 CA HIS A 33 2.375 1.922 5.498 1.00 0.00 C ATOM 555 C HIS A 33 2.157 2.379 4.054 1.00 0.00 C ATOM 556 O HIS A 33 3.099 2.427 3.265 1.00 0.00 O ATOM 557 CB HIS A 33 2.162 0.419 5.683 1.00 0.00 C ATOM 558 CG HIS A 33 2.754 -0.133 6.958 1.00 0.00 C ATOM 559 ND1 HIS A 33 4.009 -0.593 7.232 1.00 0.00 N flip ATOM 560 CD2 HIS A 33 2.029 -0.256 8.130 1.00 0.00 C flip ATOM 561 CE1 HIS A 33 4.048 -0.975 8.502 1.00 0.00 C flip ATOM 562 NE2 HIS A 33 2.821 -0.767 9.060 1.00 0.00 N flip ATOM 0 H HIS A 33 0.736 2.147 6.784 1.00 0.00 H new ATOM 0 HA HIS A 33 3.418 2.115 5.751 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.092 0.210 5.671 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.599 -0.107 4.834 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.786 -0.636 6.572 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.993 0.018 8.264 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.909 -1.383 9.010 1.00 0.00 H new ATOM 571 N ILE A 34 0.908 2.702 3.751 1.00 0.00 N ATOM 572 CA ILE A 34 0.554 3.153 2.416 1.00 0.00 C ATOM 573 C ILE A 34 1.214 4.506 2.148 1.00 0.00 C ATOM 574 O ILE A 34 1.765 4.729 1.071 1.00 0.00 O ATOM 575 CB ILE A 34 -0.966 3.164 2.240 1.00 0.00 C ATOM 576 CG1 ILE A 34 -1.535 1.745 2.297 1.00 0.00 C ATOM 577 CG2 ILE A 34 -1.363 3.890 0.954 1.00 0.00 C ATOM 578 CD1 ILE A 34 -3.064 1.764 2.232 1.00 0.00 C ATOM 0 H ILE A 34 0.129 2.660 4.408 1.00 0.00 H new ATOM 0 HA ILE A 34 0.933 2.459 1.666 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.402 3.719 3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.140 1.157 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.213 1.257 3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.448 3.884 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.008 4.920 0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.916 3.385 0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.443 0.743 2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.457 2.332 3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.383 2.231 1.300 1.00 0.00 H new ATOM 590 N VAL A 35 1.137 5.375 3.145 1.00 0.00 N ATOM 591 CA VAL A 35 1.721 6.700 3.030 1.00 0.00 C ATOM 592 C VAL A 35 3.238 6.573 2.879 1.00 0.00 C ATOM 593 O VAL A 35 3.851 7.298 2.095 1.00 0.00 O ATOM 594 CB VAL A 35 1.308 7.559 4.227 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.306 8.698 4.454 1.00 0.00 C ATOM 596 CG2 VAL A 35 -0.111 8.101 4.051 1.00 0.00 C ATOM 0 H VAL A 35 0.679 5.187 4.037 1.00 0.00 H new ATOM 0 HA VAL A 35 1.348 7.206 2.140 1.00 0.00 H new ATOM 0 HB VAL A 35 1.315 6.924 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.990 9.294 5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.295 8.282 4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.345 9.330 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.379 8.708 4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.158 8.713 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.810 7.269 3.961 1.00 0.00 H new ATOM 606 N TRP A 36 3.801 5.648 3.642 1.00 0.00 N ATOM 607 CA TRP A 36 5.235 5.418 3.603 1.00 0.00 C ATOM 608 C TRP A 36 5.597 4.923 2.201 1.00 0.00 C ATOM 609 O TRP A 36 6.527 5.433 1.579 1.00 0.00 O ATOM 610 CB TRP A 36 5.665 4.450 4.708 1.00 0.00 C ATOM 611 CG TRP A 36 7.148 4.075 4.664 1.00 0.00 C ATOM 612 CD1 TRP A 36 8.206 4.868 4.878 1.00 0.00 C ATOM 613 CD2 TRP A 36 7.697 2.771 4.378 1.00 0.00 C ATOM 614 NE1 TRP A 36 9.393 4.174 4.752 1.00 0.00 N ATOM 615 CE2 TRP A 36 9.072 2.858 4.439 1.00 0.00 C ATOM 616 CE3 TRP A 36 7.052 1.559 4.079 1.00 0.00 C ATOM 617 CZ2 TRP A 36 9.921 1.768 4.211 1.00 0.00 C ATOM 618 CZ3 TRP A 36 7.914 0.478 3.855 1.00 0.00 C ATOM 619 CH2 TRP A 36 9.301 0.550 3.912 1.00 0.00 C ATOM 0 H TRP A 36 3.290 5.049 4.291 1.00 0.00 H new ATOM 0 HA TRP A 36 5.779 6.342 3.797 1.00 0.00 H new ATOM 0 HB2 TRP A 36 5.443 4.898 5.676 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.068 3.541 4.633 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.139 5.919 5.119 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.332 4.556 4.867 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.977 1.468 4.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.996 1.862 4.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 7.470 -0.478 3.622 1.00 0.00 H new ATOM 0 HH2 TRP A 36 9.898 -0.331 3.726 1.00 0.00 H new ATOM 630 N ALA A 37 4.843 3.934 1.744 1.00 0.00 N ATOM 631 CA ALA A 37 5.071 3.364 0.428 1.00 0.00 C ATOM 632 C ALA A 37 4.934 4.462 -0.629 1.00 0.00 C ATOM 633 O ALA A 37 5.676 4.480 -1.610 1.00 0.00 O ATOM 634 CB ALA A 37 4.097 2.207 0.195 1.00 0.00 C ATOM 0 H ALA A 37 4.073 3.513 2.263 1.00 0.00 H new ATOM 0 HA ALA A 37 6.081 2.959 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.269 1.780 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.254 1.441 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.073 2.575 0.258 1.00 0.00 H new ATOM 640 N SER A 38 3.982 5.352 -0.392 1.00 0.00 N ATOM 641 CA SER A 38 3.739 6.450 -1.311 1.00 0.00 C ATOM 642 C SER A 38 4.961 7.370 -1.363 1.00 0.00 C ATOM 643 O SER A 38 5.348 7.834 -2.435 1.00 0.00 O ATOM 644 CB SER A 38 2.495 7.244 -0.905 1.00 0.00 C ATOM 645 OG SER A 38 2.830 8.507 -0.334 1.00 0.00 O ATOM 0 H SER A 38 3.370 5.335 0.424 1.00 0.00 H new ATOM 0 HA SER A 38 3.563 6.033 -2.302 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.862 7.398 -1.779 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.913 6.665 -0.188 1.00 0.00 H new ATOM 0 HG SER A 38 3.206 8.372 0.561 1.00 0.00 H new ATOM 651 N ARG A 39 5.535 7.605 -0.192 1.00 0.00 N ATOM 652 CA ARG A 39 6.705 8.460 -0.091 1.00 0.00 C ATOM 653 C ARG A 39 7.875 7.853 -0.869 1.00 0.00 C ATOM 654 O ARG A 39 8.587 8.561 -1.579 1.00 0.00 O ATOM 655 CB ARG A 39 7.119 8.656 1.368 1.00 0.00 C ATOM 656 CG ARG A 39 6.684 10.030 1.881 1.00 0.00 C ATOM 657 CD ARG A 39 6.221 9.951 3.338 1.00 0.00 C ATOM 658 NE ARG A 39 7.155 10.702 4.207 1.00 0.00 N ATOM 659 CZ ARG A 39 7.086 12.024 4.418 1.00 0.00 C ATOM 660 NH1 ARG A 39 6.127 12.748 3.825 1.00 0.00 N ATOM 661 NH2 ARG A 39 7.975 12.621 5.223 1.00 0.00 N ATOM 0 H ARG A 39 5.211 7.218 0.695 1.00 0.00 H new ATOM 0 HA ARG A 39 6.445 9.429 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.673 7.876 1.984 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.200 8.555 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.513 10.733 1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.876 10.415 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.215 10.361 3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.172 8.910 3.657 1.00 0.00 H new ATOM 0 HE ARG A 39 7.897 10.181 4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.449 12.293 3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.075 13.754 3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.704 12.070 5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.923 13.627 5.384 1.00 0.00 H new ATOM 675 N GLU A 40 8.037 6.547 -0.707 1.00 0.00 N ATOM 676 CA GLU A 40 9.109 5.837 -1.386 1.00 0.00 C ATOM 677 C GLU A 40 8.906 5.893 -2.900 1.00 0.00 C ATOM 678 O GLU A 40 9.828 6.233 -3.641 1.00 0.00 O ATOM 679 CB GLU A 40 9.201 4.390 -0.897 1.00 0.00 C ATOM 680 CG GLU A 40 10.546 3.768 -1.280 1.00 0.00 C ATOM 681 CD GLU A 40 11.370 3.434 -0.035 1.00 0.00 C ATOM 682 OE1 GLU A 40 10.785 2.824 0.886 1.00 0.00 O ATOM 683 OE2 GLU A 40 12.566 3.797 -0.032 1.00 0.00 O ATOM 0 H GLU A 40 7.445 5.963 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 40 10.053 6.327 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.077 4.359 0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.389 3.804 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.379 2.863 -1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.102 4.458 -1.914 1.00 0.00 H new ATOM 690 N LEU A 41 7.695 5.554 -3.317 1.00 0.00 N ATOM 691 CA LEU A 41 7.361 5.560 -4.730 1.00 0.00 C ATOM 692 C LEU A 41 7.598 6.960 -5.300 1.00 0.00 C ATOM 693 O LEU A 41 8.194 7.108 -6.366 1.00 0.00 O ATOM 694 CB LEU A 41 5.938 5.042 -4.947 1.00 0.00 C ATOM 695 CG LEU A 41 5.815 3.583 -5.391 1.00 0.00 C ATOM 696 CD1 LEU A 41 5.471 2.676 -4.208 1.00 0.00 C ATOM 697 CD2 LEU A 41 4.808 3.441 -6.534 1.00 0.00 C ATOM 0 H LEU A 41 6.933 5.273 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 41 8.011 4.877 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.382 5.166 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.454 5.670 -5.695 1.00 0.00 H new ATOM 0 HG LEU A 41 6.783 3.260 -5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.390 1.645 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.256 2.747 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.522 2.989 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.740 2.394 -6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.830 3.789 -6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.136 4.038 -7.385 1.00 0.00 H new ATOM 709 N GLU A 42 7.120 7.953 -4.563 1.00 0.00 N ATOM 710 CA GLU A 42 7.274 9.336 -4.981 1.00 0.00 C ATOM 711 C GLU A 42 8.757 9.693 -5.101 1.00 0.00 C ATOM 712 O GLU A 42 9.145 10.457 -5.984 1.00 0.00 O ATOM 713 CB GLU A 42 6.559 10.283 -4.015 1.00 0.00 C ATOM 714 CG GLU A 42 6.189 11.596 -4.708 1.00 0.00 C ATOM 715 CD GLU A 42 4.844 12.122 -4.205 1.00 0.00 C ATOM 716 OE1 GLU A 42 3.815 11.576 -4.659 1.00 0.00 O ATOM 717 OE2 GLU A 42 4.873 13.058 -3.377 1.00 0.00 O ATOM 0 H GLU A 42 6.626 7.827 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 42 6.812 9.452 -5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.658 9.804 -3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.201 10.488 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.965 12.339 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.143 11.442 -5.786 1.00 0.00 H new ATOM 724 N ARG A 43 9.545 9.124 -4.201 1.00 0.00 N ATOM 725 CA ARG A 43 10.976 9.374 -4.195 1.00 0.00 C ATOM 726 C ARG A 43 11.664 8.538 -5.277 1.00 0.00 C ATOM 727 O ARG A 43 12.784 8.844 -5.683 1.00 0.00 O ATOM 728 CB ARG A 43 11.588 9.037 -2.834 1.00 0.00 C ATOM 729 CG ARG A 43 11.870 10.308 -2.030 1.00 0.00 C ATOM 730 CD ARG A 43 13.346 10.393 -1.638 1.00 0.00 C ATOM 731 NE ARG A 43 14.109 11.101 -2.690 1.00 0.00 N ATOM 732 CZ ARG A 43 14.022 12.417 -2.925 1.00 0.00 C ATOM 733 NH1 ARG A 43 13.204 13.177 -2.183 1.00 0.00 N ATOM 734 NH2 ARG A 43 14.752 12.974 -3.900 1.00 0.00 N ATOM 0 H ARG A 43 9.220 8.491 -3.471 1.00 0.00 H new ATOM 0 HA ARG A 43 11.129 10.434 -4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.909 8.392 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.514 8.479 -2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.596 11.183 -2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.251 10.320 -1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.449 10.917 -0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.751 9.391 -1.495 1.00 0.00 H new ATOM 0 HE ARG A 43 14.741 10.552 -3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.648 12.753 -1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.137 14.179 -2.361 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.375 12.396 -4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.685 13.976 -4.078 1.00 0.00 H new ATOM 748 N PHE A 44 10.966 7.499 -5.711 1.00 0.00 N ATOM 749 CA PHE A 44 11.496 6.618 -6.738 1.00 0.00 C ATOM 750 C PHE A 44 11.216 7.173 -8.135 1.00 0.00 C ATOM 751 O PHE A 44 11.728 6.655 -9.127 1.00 0.00 O ATOM 752 CB PHE A 44 10.782 5.273 -6.584 1.00 0.00 C ATOM 753 CG PHE A 44 11.667 4.160 -6.019 1.00 0.00 C ATOM 754 CD1 PHE A 44 11.925 4.108 -4.684 1.00 0.00 C ATOM 755 CD2 PHE A 44 12.194 3.222 -6.849 1.00 0.00 C ATOM 756 CE1 PHE A 44 12.747 3.076 -4.159 1.00 0.00 C ATOM 757 CE2 PHE A 44 13.015 2.190 -6.325 1.00 0.00 C ATOM 758 CZ PHE A 44 13.274 2.137 -4.991 1.00 0.00 C ATOM 0 H PHE A 44 10.038 7.247 -5.370 1.00 0.00 H new ATOM 0 HA PHE A 44 12.576 6.522 -6.625 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.919 5.404 -5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.401 4.962 -7.557 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.504 4.852 -4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.988 3.262 -7.908 1.00 0.00 H new ATOM 0 HE1 PHE A 44 12.954 3.036 -3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.434 1.446 -6.986 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.897 1.350 -4.592 1.00 0.00 H new ATOM 768 N ALA A 45 10.406 8.220 -8.170 1.00 0.00 N ATOM 769 CA ALA A 45 10.051 8.852 -9.430 1.00 0.00 C ATOM 770 C ALA A 45 8.895 8.085 -10.073 1.00 0.00 C ATOM 771 O ALA A 45 8.798 8.012 -11.297 1.00 0.00 O ATOM 772 CB ALA A 45 11.284 8.913 -10.334 1.00 0.00 C ATOM 0 H ALA A 45 9.985 8.648 -7.345 1.00 0.00 H new ATOM 0 HA ALA A 45 9.715 9.876 -9.265 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.019 9.387 -11.279 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.066 9.493 -9.844 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.646 7.903 -10.524 1.00 0.00 H new ATOM 778 N VAL A 46 8.045 7.532 -9.219 1.00 0.00 N ATOM 779 CA VAL A 46 6.899 6.773 -9.688 1.00 0.00 C ATOM 780 C VAL A 46 5.620 7.378 -9.107 1.00 0.00 C ATOM 781 O VAL A 46 5.637 7.942 -8.013 1.00 0.00 O ATOM 782 CB VAL A 46 7.073 5.293 -9.340 1.00 0.00 C ATOM 783 CG1 VAL A 46 7.320 5.108 -7.841 1.00 0.00 C ATOM 784 CG2 VAL A 46 5.865 4.476 -9.801 1.00 0.00 C ATOM 0 H VAL A 46 8.128 7.595 -8.204 1.00 0.00 H new ATOM 0 HA VAL A 46 6.821 6.830 -10.774 1.00 0.00 H new ATOM 0 HB VAL A 46 7.950 4.924 -9.872 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.440 4.047 -7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.224 5.644 -7.552 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.471 5.501 -7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.014 3.428 -9.542 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.966 4.847 -9.309 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.753 4.570 -10.881 1.00 0.00 H new ATOM 794 N ASN A 47 4.540 7.239 -9.863 1.00 0.00 N ATOM 795 CA ASN A 47 3.255 7.765 -9.436 1.00 0.00 C ATOM 796 C ASN A 47 2.670 6.854 -8.355 1.00 0.00 C ATOM 797 O ASN A 47 2.711 5.631 -8.480 1.00 0.00 O ATOM 798 CB ASN A 47 2.265 7.813 -10.601 1.00 0.00 C ATOM 799 CG ASN A 47 2.168 9.226 -11.181 1.00 0.00 C ATOM 800 OD1 ASN A 47 1.185 9.928 -11.011 1.00 0.00 O ATOM 801 ND2 ASN A 47 3.240 9.602 -11.873 1.00 0.00 N ATOM 0 H ASN A 47 4.529 6.770 -10.769 1.00 0.00 H new ATOM 0 HA ASN A 47 3.413 8.774 -9.056 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.580 7.118 -11.379 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.282 7.487 -10.261 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.273 10.528 -12.300 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.029 8.964 -11.977 1.00 0.00 H new ATOM 808 N PRO A 48 2.124 7.502 -7.291 1.00 0.00 N ATOM 809 CA PRO A 48 1.530 6.763 -6.190 1.00 0.00 C ATOM 810 C PRO A 48 0.168 6.191 -6.584 1.00 0.00 C ATOM 811 O PRO A 48 -0.119 5.024 -6.319 1.00 0.00 O ATOM 812 CB PRO A 48 1.447 7.762 -5.046 1.00 0.00 C ATOM 813 CG PRO A 48 1.562 9.137 -5.685 1.00 0.00 C ATOM 814 CD PRO A 48 2.057 8.949 -7.110 1.00 0.00 C ATOM 0 HA PRO A 48 2.120 5.893 -5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.506 7.660 -4.506 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.248 7.598 -4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.596 9.642 -5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.253 9.764 -5.121 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.378 9.407 -7.829 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.033 9.412 -7.254 1.00 0.00 H new ATOM 822 N GLY A 49 -0.635 7.037 -7.212 1.00 0.00 N ATOM 823 CA GLY A 49 -1.961 6.630 -7.645 1.00 0.00 C ATOM 824 C GLY A 49 -1.883 5.434 -8.597 1.00 0.00 C ATOM 825 O GLY A 49 -2.839 4.672 -8.721 1.00 0.00 O ATOM 0 H GLY A 49 -0.393 8.003 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.567 6.370 -6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.457 7.464 -8.142 1.00 0.00 H new ATOM 829 N LEU A 50 -0.733 5.309 -9.245 1.00 0.00 N ATOM 830 CA LEU A 50 -0.518 4.219 -10.182 1.00 0.00 C ATOM 831 C LEU A 50 -0.589 2.887 -9.433 1.00 0.00 C ATOM 832 O LEU A 50 -0.685 1.828 -10.050 1.00 0.00 O ATOM 833 CB LEU A 50 0.788 4.424 -10.951 1.00 0.00 C ATOM 834 CG LEU A 50 1.940 3.490 -10.577 1.00 0.00 C ATOM 835 CD1 LEU A 50 1.713 2.086 -11.141 1.00 0.00 C ATOM 836 CD2 LEU A 50 3.285 4.073 -11.016 1.00 0.00 C ATOM 0 H LEU A 50 0.058 5.944 -9.140 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.305 4.203 -10.936 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.582 4.307 -12.015 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.117 5.452 -10.801 1.00 0.00 H new ATOM 0 HG LEU A 50 1.967 3.401 -9.491 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.547 1.442 -10.861 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.787 1.677 -10.737 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.644 2.137 -12.228 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.086 3.389 -10.738 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.286 4.212 -12.097 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.442 5.034 -10.526 1.00 0.00 H new ATOM 848 N LEU A 51 -0.537 2.984 -8.112 1.00 0.00 N ATOM 849 CA LEU A 51 -0.595 1.799 -7.272 1.00 0.00 C ATOM 850 C LEU A 51 -2.053 1.371 -7.099 1.00 0.00 C ATOM 851 O LEU A 51 -2.337 0.381 -6.427 1.00 0.00 O ATOM 852 CB LEU A 51 0.136 2.045 -5.950 1.00 0.00 C ATOM 853 CG LEU A 51 1.661 2.115 -6.029 1.00 0.00 C ATOM 854 CD1 LEU A 51 2.257 2.602 -4.706 1.00 0.00 C ATOM 855 CD2 LEU A 51 2.250 0.770 -6.461 1.00 0.00 C ATOM 0 H LEU A 51 -0.455 3.864 -7.603 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.075 0.968 -7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.229 2.980 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.136 1.251 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 51 1.930 2.845 -6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.343 2.643 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.873 3.596 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.980 1.914 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.336 0.847 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.972 0.002 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.861 0.501 -7.443 1.00 0.00 H new ATOM 867 N GLU A 52 -2.938 2.137 -7.719 1.00 0.00 N ATOM 868 CA GLU A 52 -4.361 1.850 -7.642 1.00 0.00 C ATOM 869 C GLU A 52 -4.713 0.669 -8.548 1.00 0.00 C ATOM 870 O GLU A 52 -5.853 0.208 -8.559 1.00 0.00 O ATOM 871 CB GLU A 52 -5.190 3.084 -8.002 1.00 0.00 C ATOM 872 CG GLU A 52 -6.664 2.719 -8.189 1.00 0.00 C ATOM 873 CD GLU A 52 -7.531 3.974 -8.295 1.00 0.00 C ATOM 874 OE1 GLU A 52 -6.987 5.064 -8.015 1.00 0.00 O ATOM 875 OE2 GLU A 52 -8.718 3.816 -8.653 1.00 0.00 O ATOM 0 H GLU A 52 -2.698 2.956 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.602 1.579 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.094 3.833 -7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.804 3.532 -8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.781 2.115 -9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.001 2.110 -7.350 1.00 0.00 H new ATOM 882 N THR A 53 -3.713 0.213 -9.288 1.00 0.00 N ATOM 883 CA THR A 53 -3.902 -0.905 -10.197 1.00 0.00 C ATOM 884 C THR A 53 -2.949 -2.048 -9.841 1.00 0.00 C ATOM 885 O THR A 53 -1.770 -1.818 -9.577 1.00 0.00 O ATOM 886 CB THR A 53 -3.727 -0.388 -11.626 1.00 0.00 C ATOM 887 OG1 THR A 53 -2.317 -0.229 -11.766 1.00 0.00 O ATOM 888 CG2 THR A 53 -4.282 1.025 -11.810 1.00 0.00 C ATOM 0 H THR A 53 -2.768 0.598 -9.277 1.00 0.00 H new ATOM 0 HA THR A 53 -4.905 -1.322 -10.109 1.00 0.00 H new ATOM 0 HB THR A 53 -4.224 -1.065 -12.321 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.007 0.482 -11.167 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.132 1.343 -12.842 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.347 1.030 -11.580 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.763 1.710 -11.140 1.00 0.00 H new ATOM 896 N SER A 54 -3.496 -3.255 -9.849 1.00 0.00 N ATOM 897 CA SER A 54 -2.708 -4.435 -9.531 1.00 0.00 C ATOM 898 C SER A 54 -1.502 -4.527 -10.469 1.00 0.00 C ATOM 899 O SER A 54 -0.450 -5.034 -10.084 1.00 0.00 O ATOM 900 CB SER A 54 -3.555 -5.705 -9.629 1.00 0.00 C ATOM 901 OG SER A 54 -3.798 -6.083 -10.981 1.00 0.00 O ATOM 0 H SER A 54 -4.474 -3.442 -10.070 1.00 0.00 H new ATOM 0 HA SER A 54 -2.355 -4.345 -8.504 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.048 -6.519 -9.111 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.506 -5.546 -9.121 1.00 0.00 H new ATOM 0 HG SER A 54 -4.340 -6.899 -11.000 1.00 0.00 H new ATOM 907 N GLU A 55 -1.697 -4.030 -11.682 1.00 0.00 N ATOM 908 CA GLU A 55 -0.638 -4.051 -12.677 1.00 0.00 C ATOM 909 C GLU A 55 0.456 -3.045 -12.309 1.00 0.00 C ATOM 910 O GLU A 55 1.642 -3.359 -12.385 1.00 0.00 O ATOM 911 CB GLU A 55 -1.194 -3.768 -14.074 1.00 0.00 C ATOM 912 CG GLU A 55 -0.104 -3.913 -15.138 1.00 0.00 C ATOM 913 CD GLU A 55 -0.016 -5.356 -15.640 1.00 0.00 C ATOM 914 OE1 GLU A 55 -0.154 -6.262 -14.791 1.00 0.00 O ATOM 915 OE2 GLU A 55 0.186 -5.519 -16.863 1.00 0.00 O ATOM 0 H GLU A 55 -2.572 -3.611 -11.998 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.198 -5.048 -12.691 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.012 -4.456 -14.290 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.608 -2.760 -14.107 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.315 -3.246 -15.974 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.857 -3.609 -14.723 1.00 0.00 H new ATOM 922 N GLY A 56 0.016 -1.858 -11.918 1.00 0.00 N ATOM 923 CA GLY A 56 0.944 -0.806 -11.539 1.00 0.00 C ATOM 924 C GLY A 56 1.785 -1.225 -10.331 1.00 0.00 C ATOM 925 O GLY A 56 2.999 -1.030 -10.318 1.00 0.00 O ATOM 0 H GLY A 56 -0.969 -1.602 -11.855 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.598 -0.574 -12.379 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.392 0.104 -11.304 1.00 0.00 H new ATOM 929 N CYS A 57 1.105 -1.791 -9.346 1.00 0.00 N ATOM 930 CA CYS A 57 1.774 -2.239 -8.136 1.00 0.00 C ATOM 931 C CYS A 57 2.696 -3.404 -8.501 1.00 0.00 C ATOM 932 O CYS A 57 3.791 -3.528 -7.954 1.00 0.00 O ATOM 933 CB CYS A 57 0.772 -2.624 -7.045 1.00 0.00 C ATOM 934 SG CYS A 57 -0.009 -4.230 -7.451 1.00 0.00 S ATOM 0 H CYS A 57 0.098 -1.950 -9.360 1.00 0.00 H new ATOM 0 HA CYS A 57 2.367 -1.424 -7.721 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.278 -2.689 -6.082 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.008 -1.852 -6.952 1.00 0.00 H new ATOM 0 HG CYS A 57 0.018 -4.413 -8.738 1.00 0.00 H new ATOM 940 N ARG A 58 2.221 -4.228 -9.422 1.00 0.00 N ATOM 941 CA ARG A 58 2.989 -5.378 -9.867 1.00 0.00 C ATOM 942 C ARG A 58 4.255 -4.921 -10.594 1.00 0.00 C ATOM 943 O ARG A 58 5.305 -5.553 -10.476 1.00 0.00 O ATOM 944 CB ARG A 58 2.164 -6.265 -10.801 1.00 0.00 C ATOM 945 CG ARG A 58 2.889 -7.581 -11.091 1.00 0.00 C ATOM 946 CD ARG A 58 2.428 -8.180 -12.422 1.00 0.00 C ATOM 947 NE ARG A 58 3.530 -8.125 -13.409 1.00 0.00 N ATOM 948 CZ ARG A 58 3.387 -8.411 -14.710 1.00 0.00 C ATOM 949 NH1 ARG A 58 2.189 -8.772 -15.189 1.00 0.00 N ATOM 950 NH2 ARG A 58 4.443 -8.336 -15.532 1.00 0.00 N ATOM 0 H ARG A 58 1.312 -4.122 -9.873 1.00 0.00 H new ATOM 0 HA ARG A 58 3.261 -5.956 -8.984 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.194 -6.472 -10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.974 -5.737 -11.735 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.965 -7.409 -11.119 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.700 -8.290 -10.285 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.111 -9.212 -12.275 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.564 -7.631 -12.798 1.00 0.00 H new ATOM 0 HE ARG A 58 4.456 -7.852 -13.078 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.386 -8.829 -14.563 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.080 -8.990 -16.180 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.355 -8.061 -15.167 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.335 -8.554 -16.523 1.00 0.00 H new ATOM 964 N GLN A 59 4.116 -3.829 -11.329 1.00 0.00 N ATOM 965 CA GLN A 59 5.235 -3.279 -12.075 1.00 0.00 C ATOM 966 C GLN A 59 6.304 -2.751 -11.117 1.00 0.00 C ATOM 967 O GLN A 59 7.480 -3.081 -11.251 1.00 0.00 O ATOM 968 CB GLN A 59 4.770 -2.184 -13.036 1.00 0.00 C ATOM 969 CG GLN A 59 4.776 -2.683 -14.483 1.00 0.00 C ATOM 970 CD GLN A 59 4.867 -1.514 -15.465 1.00 0.00 C ATOM 971 OE1 GLN A 59 3.889 -1.097 -16.064 1.00 0.00 O ATOM 972 NE2 GLN A 59 6.091 -1.012 -15.597 1.00 0.00 N ATOM 0 H GLN A 59 3.244 -3.309 -11.424 1.00 0.00 H new ATOM 0 HA GLN A 59 5.674 -4.078 -12.673 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.766 -1.859 -12.764 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.422 -1.315 -12.945 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.619 -3.357 -14.636 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.870 -3.256 -14.678 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.865 -1.409 -15.065 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.256 -0.230 -16.230 1.00 0.00 H new ATOM 981 N ILE A 60 5.855 -1.938 -10.172 1.00 0.00 N ATOM 982 CA ILE A 60 6.758 -1.360 -9.190 1.00 0.00 C ATOM 983 C ILE A 60 7.458 -2.484 -8.424 1.00 0.00 C ATOM 984 O ILE A 60 8.667 -2.430 -8.204 1.00 0.00 O ATOM 985 CB ILE A 60 6.011 -0.374 -8.290 1.00 0.00 C ATOM 986 CG1 ILE A 60 5.524 0.836 -9.090 1.00 0.00 C ATOM 987 CG2 ILE A 60 6.873 0.039 -7.095 1.00 0.00 C ATOM 988 CD1 ILE A 60 4.032 1.085 -8.852 1.00 0.00 C ATOM 0 H ILE A 60 4.878 -1.666 -10.065 1.00 0.00 H new ATOM 0 HA ILE A 60 7.536 -0.778 -9.684 1.00 0.00 H new ATOM 0 HB ILE A 60 5.128 -0.875 -7.892 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.094 1.720 -8.804 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.704 0.671 -10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.318 0.740 -6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.129 -0.844 -6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.786 0.515 -7.452 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.711 1.950 -9.432 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.463 0.209 -9.162 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.859 1.274 -7.792 1.00 0.00 H new ATOM 1000 N LEU A 61 6.669 -3.475 -8.039 1.00 0.00 N ATOM 1001 CA LEU A 61 7.197 -4.610 -7.301 1.00 0.00 C ATOM 1002 C LEU A 61 8.335 -5.248 -8.102 1.00 0.00 C ATOM 1003 O LEU A 61 9.414 -5.491 -7.565 1.00 0.00 O ATOM 1004 CB LEU A 61 6.075 -5.587 -6.942 1.00 0.00 C ATOM 1005 CG LEU A 61 6.120 -6.170 -5.529 1.00 0.00 C ATOM 1006 CD1 LEU A 61 5.505 -7.570 -5.494 1.00 0.00 C ATOM 1007 CD2 LEU A 61 7.547 -6.157 -4.975 1.00 0.00 C ATOM 0 H LEU A 61 5.667 -3.516 -8.224 1.00 0.00 H new ATOM 0 HA LEU A 61 7.618 -4.283 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.121 -5.077 -7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.096 -6.411 -7.655 1.00 0.00 H new ATOM 0 HG LEU A 61 5.516 -5.536 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.550 -7.962 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.465 -7.519 -5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.061 -8.228 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.551 -6.577 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.193 -6.753 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.915 -5.132 -4.941 1.00 0.00 H new ATOM 1019 N GLY A 62 8.053 -5.499 -9.371 1.00 0.00 N ATOM 1020 CA GLY A 62 9.039 -6.104 -10.251 1.00 0.00 C ATOM 1021 C GLY A 62 10.211 -5.152 -10.496 1.00 0.00 C ATOM 1022 O GLY A 62 11.313 -5.591 -10.824 1.00 0.00 O ATOM 0 H GLY A 62 7.156 -5.295 -9.812 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.405 -7.031 -9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.573 -6.365 -11.201 1.00 0.00 H new ATOM 1026 N GLN A 63 9.934 -3.867 -10.330 1.00 0.00 N ATOM 1027 CA GLN A 63 10.953 -2.851 -10.529 1.00 0.00 C ATOM 1028 C GLN A 63 11.967 -2.884 -9.386 1.00 0.00 C ATOM 1029 O GLN A 63 13.161 -2.683 -9.603 1.00 0.00 O ATOM 1030 CB GLN A 63 10.322 -1.463 -10.663 1.00 0.00 C ATOM 1031 CG GLN A 63 11.119 -0.590 -11.634 1.00 0.00 C ATOM 1032 CD GLN A 63 10.305 -0.288 -12.894 1.00 0.00 C ATOM 1033 OE1 GLN A 63 10.284 -1.048 -13.848 1.00 0.00 O ATOM 1034 NE2 GLN A 63 9.637 0.861 -12.844 1.00 0.00 N ATOM 0 H GLN A 63 9.019 -3.506 -10.060 1.00 0.00 H new ATOM 0 HA GLN A 63 11.478 -3.068 -11.459 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.295 -1.559 -11.014 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.281 -0.982 -9.686 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.398 0.343 -11.145 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.045 -1.096 -11.907 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.698 1.451 -12.014 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.063 1.152 -13.636 1.00 0.00 H new ATOM 1043 N LEU A 64 11.455 -3.139 -8.190 1.00 0.00 N ATOM 1044 CA LEU A 64 12.303 -3.201 -7.011 1.00 0.00 C ATOM 1045 C LEU A 64 12.801 -4.635 -6.821 1.00 0.00 C ATOM 1046 O LEU A 64 13.761 -4.871 -6.089 1.00 0.00 O ATOM 1047 CB LEU A 64 11.567 -2.639 -5.792 1.00 0.00 C ATOM 1048 CG LEU A 64 10.638 -1.453 -6.058 1.00 0.00 C ATOM 1049 CD1 LEU A 64 9.374 -1.544 -5.199 1.00 0.00 C ATOM 1050 CD2 LEU A 64 11.372 -0.126 -5.859 1.00 0.00 C ATOM 0 H LEU A 64 10.464 -3.305 -8.012 1.00 0.00 H new ATOM 0 HA LEU A 64 13.184 -2.572 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.980 -3.441 -5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.308 -2.336 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 64 10.323 -1.493 -7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.730 -0.689 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.841 -2.465 -5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.650 -1.542 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.689 0.701 -6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.736 -0.062 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.215 -0.070 -6.547 1.00 0.00 H new ATOM 1062 N GLN A 65 12.125 -5.555 -7.493 1.00 0.00 N ATOM 1063 CA GLN A 65 12.487 -6.961 -7.407 1.00 0.00 C ATOM 1064 C GLN A 65 14.009 -7.117 -7.404 1.00 0.00 C ATOM 1065 O GLN A 65 14.567 -7.776 -6.528 1.00 0.00 O ATOM 1066 CB GLN A 65 11.856 -7.759 -8.549 1.00 0.00 C ATOM 1067 CG GLN A 65 10.907 -8.832 -8.009 1.00 0.00 C ATOM 1068 CD GLN A 65 11.686 -10.045 -7.497 1.00 0.00 C ATOM 1069 OE1 GLN A 65 12.319 -10.015 -6.455 1.00 0.00 O ATOM 1070 NE2 GLN A 65 11.602 -11.112 -8.286 1.00 0.00 N ATOM 0 H GLN A 65 11.329 -5.355 -8.099 1.00 0.00 H new ATOM 0 HA GLN A 65 12.099 -7.361 -6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.311 -7.086 -9.210 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.639 -8.227 -9.146 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.303 -8.416 -7.202 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.219 -9.143 -8.795 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.054 -11.069 -9.145 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.085 -11.974 -8.032 1.00 0.00 H new ATOM 1079 N PRO A 66 14.654 -6.484 -8.420 1.00 0.00 N ATOM 1080 CA PRO A 66 16.101 -6.547 -8.543 1.00 0.00 C ATOM 1081 C PRO A 66 16.778 -5.648 -7.506 1.00 0.00 C ATOM 1082 O PRO A 66 17.843 -5.982 -6.991 1.00 0.00 O ATOM 1083 CB PRO A 66 16.393 -6.129 -9.975 1.00 0.00 C ATOM 1084 CG PRO A 66 15.148 -5.404 -10.459 1.00 0.00 C ATOM 1085 CD PRO A 66 14.026 -5.695 -9.476 1.00 0.00 C ATOM 0 HA PRO A 66 16.498 -7.543 -8.345 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.267 -5.479 -10.022 1.00 0.00 H new ATOM 0 HB3 PRO A 66 16.607 -6.996 -10.599 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.331 -4.331 -10.522 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.875 -5.740 -11.459 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.597 -4.774 -9.081 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.215 -6.245 -9.953 1.00 0.00 H new ATOM 1093 N SER A 67 16.132 -4.524 -7.233 1.00 0.00 N ATOM 1094 CA SER A 67 16.659 -3.573 -6.269 1.00 0.00 C ATOM 1095 C SER A 67 16.865 -4.260 -4.917 1.00 0.00 C ATOM 1096 O SER A 67 17.600 -3.760 -4.068 1.00 0.00 O ATOM 1097 CB SER A 67 15.728 -2.370 -6.116 1.00 0.00 C ATOM 1098 OG SER A 67 15.553 -1.670 -7.346 1.00 0.00 O ATOM 0 H SER A 67 15.248 -4.250 -7.663 1.00 0.00 H new ATOM 0 HA SER A 67 17.619 -3.210 -6.636 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.758 -2.706 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.134 -1.690 -5.367 1.00 0.00 H new ATOM 0 HG SER A 67 14.951 -0.910 -7.207 1.00 0.00 H new ATOM 1104 N LEU A 68 16.202 -5.396 -4.759 1.00 0.00 N ATOM 1105 CA LEU A 68 16.302 -6.157 -3.525 1.00 0.00 C ATOM 1106 C LEU A 68 17.672 -6.833 -3.459 1.00 0.00 C ATOM 1107 O LEU A 68 18.287 -6.896 -2.395 1.00 0.00 O ATOM 1108 CB LEU A 68 15.128 -7.130 -3.399 1.00 0.00 C ATOM 1109 CG LEU A 68 13.755 -6.499 -3.162 1.00 0.00 C ATOM 1110 CD1 LEU A 68 12.644 -7.364 -3.759 1.00 0.00 C ATOM 1111 CD2 LEU A 68 13.529 -6.221 -1.674 1.00 0.00 C ATOM 0 H LEU A 68 15.593 -5.808 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 68 16.231 -5.496 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.079 -7.728 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.337 -7.816 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 68 13.727 -5.539 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.678 -6.893 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.800 -7.467 -4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 68 12.660 -8.350 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.546 -5.772 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.585 -7.156 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 68 14.296 -5.536 -1.311 1.00 0.00 H new ATOM 1123 N GLN A 69 18.112 -7.324 -4.609 1.00 0.00 N ATOM 1124 CA GLN A 69 19.398 -7.993 -4.694 1.00 0.00 C ATOM 1125 C GLN A 69 20.410 -7.321 -3.763 1.00 0.00 C ATOM 1126 O GLN A 69 21.195 -7.999 -3.103 1.00 0.00 O ATOM 1127 CB GLN A 69 19.910 -8.014 -6.136 1.00 0.00 C ATOM 1128 CG GLN A 69 21.090 -8.979 -6.285 1.00 0.00 C ATOM 1129 CD GLN A 69 20.647 -10.289 -6.937 1.00 0.00 C ATOM 1130 OE1 GLN A 69 20.121 -11.185 -6.296 1.00 0.00 O ATOM 1131 NE2 GLN A 69 20.889 -10.352 -8.243 1.00 0.00 N ATOM 0 H GLN A 69 17.600 -7.271 -5.489 1.00 0.00 H new ATOM 0 HA GLN A 69 19.269 -9.027 -4.373 1.00 0.00 H new ATOM 0 HB2 GLN A 69 19.105 -8.312 -6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 69 20.216 -7.011 -6.432 1.00 0.00 H new ATOM 0 HG2 GLN A 69 21.871 -8.514 -6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 69 21.523 -9.184 -5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 69 21.332 -9.566 -8.718 1.00 0.00 H new ATOM 0 HE22 GLN A 69 20.631 -11.187 -8.770 1.00 0.00 H new ATOM 1140 N THR A 70 20.357 -5.997 -3.741 1.00 0.00 N ATOM 1141 CA THR A 70 21.258 -5.227 -2.902 1.00 0.00 C ATOM 1142 C THR A 70 20.569 -3.953 -2.407 1.00 0.00 C ATOM 1143 O THR A 70 21.180 -2.887 -2.370 1.00 0.00 O ATOM 1144 CB THR A 70 22.533 -4.955 -3.702 1.00 0.00 C ATOM 1145 OG1 THR A 70 23.362 -4.228 -2.799 1.00 0.00 O ATOM 1146 CG2 THR A 70 22.302 -3.984 -4.861 1.00 0.00 C ATOM 0 H THR A 70 19.704 -5.439 -4.291 1.00 0.00 H new ATOM 0 HA THR A 70 21.532 -5.781 -2.004 1.00 0.00 H new ATOM 0 HB THR A 70 22.925 -5.895 -4.090 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.892 -3.421 -2.501 1.00 0.00 H new ATOM 0 HG21 THR A 70 23.239 -3.826 -5.395 1.00 0.00 H new ATOM 0 HG22 THR A 70 21.561 -4.401 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.941 -3.032 -4.472 1.00 0.00 H new ATOM 1154 N GLY A 71 19.306 -4.108 -2.039 1.00 0.00 N ATOM 1155 CA GLY A 71 18.527 -2.985 -1.548 1.00 0.00 C ATOM 1156 C GLY A 71 18.738 -2.784 -0.046 1.00 0.00 C ATOM 1157 O GLY A 71 19.381 -3.604 0.608 1.00 0.00 O ATOM 0 H GLY A 71 18.803 -4.995 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.812 -2.079 -2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.470 -3.156 -1.750 1.00 0.00 H new ATOM 1161 N SER A 72 18.184 -1.691 0.456 1.00 0.00 N ATOM 1162 CA SER A 72 18.304 -1.373 1.870 1.00 0.00 C ATOM 1163 C SER A 72 17.154 -2.013 2.649 1.00 0.00 C ATOM 1164 O SER A 72 16.195 -2.505 2.056 1.00 0.00 O ATOM 1165 CB SER A 72 18.322 0.140 2.095 1.00 0.00 C ATOM 1166 OG SER A 72 17.016 0.705 2.026 1.00 0.00 O ATOM 0 H SER A 72 17.651 -1.014 -0.090 1.00 0.00 H new ATOM 0 HA SER A 72 19.249 -1.777 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.760 0.356 3.069 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.961 0.610 1.347 1.00 0.00 H new ATOM 0 HG SER A 72 17.070 1.672 2.176 1.00 0.00 H new ATOM 1172 N GLU A 73 17.286 -1.984 3.967 1.00 0.00 N ATOM 1173 CA GLU A 73 16.269 -2.555 4.834 1.00 0.00 C ATOM 1174 C GLU A 73 14.919 -1.877 4.586 1.00 0.00 C ATOM 1175 O GLU A 73 13.890 -2.547 4.511 1.00 0.00 O ATOM 1176 CB GLU A 73 16.677 -2.442 6.304 1.00 0.00 C ATOM 1177 CG GLU A 73 16.792 -3.825 6.949 1.00 0.00 C ATOM 1178 CD GLU A 73 16.467 -3.764 8.442 1.00 0.00 C ATOM 1179 OE1 GLU A 73 17.372 -3.363 9.205 1.00 0.00 O ATOM 1180 OE2 GLU A 73 15.319 -4.119 8.789 1.00 0.00 O ATOM 0 H GLU A 73 18.082 -1.574 4.456 1.00 0.00 H new ATOM 0 HA GLU A 73 16.170 -3.615 4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 73 17.631 -1.920 6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.942 -1.845 6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 73 16.112 -4.519 6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.801 -4.213 6.809 1.00 0.00 H new ATOM 1187 N GLU A 74 14.969 -0.559 4.466 1.00 0.00 N ATOM 1188 CA GLU A 74 13.762 0.216 4.228 1.00 0.00 C ATOM 1189 C GLU A 74 13.194 -0.099 2.842 1.00 0.00 C ATOM 1190 O GLU A 74 11.986 -0.277 2.689 1.00 0.00 O ATOM 1191 CB GLU A 74 14.033 1.713 4.382 1.00 0.00 C ATOM 1192 CG GLU A 74 13.498 2.233 5.718 1.00 0.00 C ATOM 1193 CD GLU A 74 14.615 2.316 6.761 1.00 0.00 C ATOM 1194 OE1 GLU A 74 15.764 2.573 6.342 1.00 0.00 O ATOM 1195 OE2 GLU A 74 14.294 2.122 7.953 1.00 0.00 O ATOM 0 H GLU A 74 15.825 -0.008 4.529 1.00 0.00 H new ATOM 0 HA GLU A 74 13.020 -0.064 4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.105 1.901 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.564 2.257 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.053 3.218 5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.707 1.575 6.078 1.00 0.00 H new ATOM 1202 N LEU A 75 14.091 -0.157 1.870 1.00 0.00 N ATOM 1203 CA LEU A 75 13.695 -0.447 0.503 1.00 0.00 C ATOM 1204 C LEU A 75 13.032 -1.825 0.449 1.00 0.00 C ATOM 1205 O LEU A 75 12.035 -2.012 -0.247 1.00 0.00 O ATOM 1206 CB LEU A 75 14.888 -0.301 -0.445 1.00 0.00 C ATOM 1207 CG LEU A 75 14.674 -0.799 -1.875 1.00 0.00 C ATOM 1208 CD1 LEU A 75 15.522 0.001 -2.867 1.00 0.00 C ATOM 1209 CD2 LEU A 75 14.937 -2.302 -1.979 1.00 0.00 C ATOM 0 H LEU A 75 15.091 -0.008 2.002 1.00 0.00 H new ATOM 0 HA LEU A 75 12.955 0.277 0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.167 0.752 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.734 -0.838 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 75 13.629 -0.637 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.351 -0.373 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.243 1.054 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.577 -0.107 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.777 -2.629 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 75 15.966 -2.512 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.255 -2.837 -1.318 1.00 0.00 H new ATOM 1221 N ARG A 76 13.613 -2.754 1.193 1.00 0.00 N ATOM 1222 CA ARG A 76 13.091 -4.110 1.240 1.00 0.00 C ATOM 1223 C ARG A 76 11.668 -4.112 1.801 1.00 0.00 C ATOM 1224 O ARG A 76 10.774 -4.735 1.232 1.00 0.00 O ATOM 1225 CB ARG A 76 13.976 -5.011 2.106 1.00 0.00 C ATOM 1226 CG ARG A 76 14.305 -6.316 1.378 1.00 0.00 C ATOM 1227 CD ARG A 76 14.707 -7.409 2.371 1.00 0.00 C ATOM 1228 NE ARG A 76 15.623 -8.373 1.720 1.00 0.00 N ATOM 1229 CZ ARG A 76 16.457 -9.183 2.384 1.00 0.00 C ATOM 1230 NH1 ARG A 76 16.497 -9.152 3.723 1.00 0.00 N ATOM 1231 NH2 ARG A 76 17.252 -10.025 1.710 1.00 0.00 N ATOM 0 H ARG A 76 14.440 -2.595 1.768 1.00 0.00 H new ATOM 0 HA ARG A 76 13.083 -4.498 0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.899 -4.488 2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.468 -5.232 3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.440 -6.643 0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.116 -6.147 0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.193 -6.963 3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.819 -7.927 2.734 1.00 0.00 H new ATOM 0 HE ARG A 76 15.618 -8.423 0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.892 -8.511 4.237 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.132 -9.769 4.229 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.222 -10.049 0.691 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.887 -10.642 2.216 1.00 0.00 H new ATOM 1245 N SER A 77 11.503 -3.409 2.912 1.00 0.00 N ATOM 1246 CA SER A 77 10.204 -3.321 3.557 1.00 0.00 C ATOM 1247 C SER A 77 9.169 -2.767 2.575 1.00 0.00 C ATOM 1248 O SER A 77 8.031 -3.233 2.539 1.00 0.00 O ATOM 1249 CB SER A 77 10.268 -2.446 4.810 1.00 0.00 C ATOM 1250 OG SER A 77 9.019 -1.820 5.089 1.00 0.00 O ATOM 0 H SER A 77 12.248 -2.895 3.382 1.00 0.00 H new ATOM 0 HA SER A 77 9.906 -4.324 3.863 1.00 0.00 H new ATOM 0 HB2 SER A 77 10.566 -3.056 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.035 -1.683 4.680 1.00 0.00 H new ATOM 0 HG SER A 77 9.120 -0.847 5.030 1.00 0.00 H new ATOM 1256 N LEU A 78 9.601 -1.781 1.803 1.00 0.00 N ATOM 1257 CA LEU A 78 8.725 -1.158 0.825 1.00 0.00 C ATOM 1258 C LEU A 78 8.287 -2.206 -0.200 1.00 0.00 C ATOM 1259 O LEU A 78 7.104 -2.307 -0.521 1.00 0.00 O ATOM 1260 CB LEU A 78 9.403 0.066 0.203 1.00 0.00 C ATOM 1261 CG LEU A 78 8.507 1.286 -0.020 1.00 0.00 C ATOM 1262 CD1 LEU A 78 7.254 0.911 -0.814 1.00 0.00 C ATOM 1263 CD2 LEU A 78 8.162 1.962 1.309 1.00 0.00 C ATOM 0 H LEU A 78 10.546 -1.398 1.835 1.00 0.00 H new ATOM 0 HA LEU A 78 7.821 -0.784 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.234 0.362 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.829 -0.227 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 78 9.060 2.011 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.636 1.797 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.545 0.510 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.688 0.158 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.524 2.826 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.637 1.255 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.079 2.287 1.801 1.00 0.00 H new ATOM 1275 N TYR A 79 9.264 -2.958 -0.684 1.00 0.00 N ATOM 1276 CA TYR A 79 8.993 -3.994 -1.667 1.00 0.00 C ATOM 1277 C TYR A 79 7.947 -4.982 -1.147 1.00 0.00 C ATOM 1278 O TYR A 79 7.043 -5.378 -1.882 1.00 0.00 O ATOM 1279 CB TYR A 79 10.317 -4.734 -1.874 1.00 0.00 C ATOM 1280 CG TYR A 79 10.154 -6.177 -2.356 1.00 0.00 C ATOM 1281 CD1 TYR A 79 9.952 -6.438 -3.696 1.00 0.00 C ATOM 1282 CD2 TYR A 79 10.209 -7.217 -1.451 1.00 0.00 C ATOM 1283 CE1 TYR A 79 9.798 -7.797 -4.149 1.00 0.00 C ATOM 1284 CE2 TYR A 79 10.055 -8.576 -1.905 1.00 0.00 C ATOM 1285 CZ TYR A 79 9.858 -8.799 -3.231 1.00 0.00 C ATOM 1286 OH TYR A 79 9.713 -10.081 -3.659 1.00 0.00 O ATOM 0 H TYR A 79 10.244 -2.871 -0.414 1.00 0.00 H new ATOM 0 HA TYR A 79 8.608 -3.558 -2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 79 10.919 -4.185 -2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.871 -4.736 -0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.909 -5.624 -4.405 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.367 -7.013 -0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.638 -8.015 -5.195 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.095 -9.399 -1.207 1.00 0.00 H new ATOM 0 HH TYR A 79 9.779 -10.691 -2.894 1.00 0.00 H new ATOM 1296 N ASN A 80 8.103 -5.352 0.115 1.00 0.00 N ATOM 1297 CA ASN A 80 7.183 -6.286 0.742 1.00 0.00 C ATOM 1298 C ASN A 80 5.780 -5.676 0.759 1.00 0.00 C ATOM 1299 O ASN A 80 4.798 -6.364 0.485 1.00 0.00 O ATOM 1300 CB ASN A 80 7.591 -6.576 2.187 1.00 0.00 C ATOM 1301 CG ASN A 80 9.006 -7.157 2.252 1.00 0.00 C ATOM 1302 OD1 ASN A 80 9.440 -7.898 1.387 1.00 0.00 O ATOM 1303 ND2 ASN A 80 9.698 -6.777 3.322 1.00 0.00 N ATOM 0 H ASN A 80 8.854 -5.022 0.721 1.00 0.00 H new ATOM 0 HA ASN A 80 7.202 -7.214 0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.544 -5.658 2.773 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.886 -7.276 2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.653 -7.109 3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.274 -6.154 4.009 1.00 0.00 H new ATOM 1310 N THR A 81 5.730 -4.394 1.086 1.00 0.00 N ATOM 1311 CA THR A 81 4.464 -3.685 1.144 1.00 0.00 C ATOM 1312 C THR A 81 3.779 -3.704 -0.224 1.00 0.00 C ATOM 1313 O THR A 81 2.570 -3.917 -0.314 1.00 0.00 O ATOM 1314 CB THR A 81 4.735 -2.273 1.668 1.00 0.00 C ATOM 1315 OG1 THR A 81 5.771 -2.453 2.628 1.00 0.00 O ATOM 1316 CG2 THR A 81 3.565 -1.716 2.482 1.00 0.00 C ATOM 0 H THR A 81 6.547 -3.827 1.314 1.00 0.00 H new ATOM 0 HA THR A 81 3.769 -4.173 1.828 1.00 0.00 H new ATOM 0 HB THR A 81 4.943 -1.608 0.830 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.639 -2.269 2.211 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.809 -0.712 2.830 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.673 -1.676 1.857 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.378 -2.362 3.340 1.00 0.00 H new ATOM 1324 N ILE A 82 4.580 -3.478 -1.254 1.00 0.00 N ATOM 1325 CA ILE A 82 4.067 -3.467 -2.614 1.00 0.00 C ATOM 1326 C ILE A 82 3.474 -4.839 -2.941 1.00 0.00 C ATOM 1327 O ILE A 82 2.393 -4.930 -3.521 1.00 0.00 O ATOM 1328 CB ILE A 82 5.152 -3.017 -3.593 1.00 0.00 C ATOM 1329 CG1 ILE A 82 5.599 -1.584 -3.295 1.00 0.00 C ATOM 1330 CG2 ILE A 82 4.688 -3.183 -5.041 1.00 0.00 C ATOM 1331 CD1 ILE A 82 4.394 -0.654 -3.147 1.00 0.00 C ATOM 0 H ILE A 82 5.581 -3.301 -1.175 1.00 0.00 H new ATOM 0 HA ILE A 82 3.262 -2.739 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 82 6.021 -3.661 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.191 -1.567 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.243 -1.226 -4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.479 -2.856 -5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.459 -4.231 -5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.795 -2.580 -5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.739 0.358 -2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.818 -0.655 -4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.765 -1.001 -2.327 1.00 0.00 H new ATOM 1343 N ALA A 83 4.208 -5.873 -2.556 1.00 0.00 N ATOM 1344 CA ALA A 83 3.768 -7.235 -2.802 1.00 0.00 C ATOM 1345 C ALA A 83 2.389 -7.444 -2.173 1.00 0.00 C ATOM 1346 O ALA A 83 1.500 -8.024 -2.794 1.00 0.00 O ATOM 1347 CB ALA A 83 4.809 -8.215 -2.258 1.00 0.00 C ATOM 0 H ALA A 83 5.104 -5.794 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 83 3.674 -7.419 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.478 -9.237 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.763 -8.047 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.928 -8.061 -1.186 1.00 0.00 H new ATOM 1353 N VAL A 84 2.253 -6.957 -0.948 1.00 0.00 N ATOM 1354 CA VAL A 84 0.998 -7.083 -0.227 1.00 0.00 C ATOM 1355 C VAL A 84 -0.082 -6.275 -0.949 1.00 0.00 C ATOM 1356 O VAL A 84 -1.252 -6.656 -0.949 1.00 0.00 O ATOM 1357 CB VAL A 84 1.187 -6.659 1.231 1.00 0.00 C ATOM 1358 CG1 VAL A 84 -0.134 -6.176 1.837 1.00 0.00 C ATOM 1359 CG2 VAL A 84 1.786 -7.797 2.060 1.00 0.00 C ATOM 0 H VAL A 84 2.992 -6.474 -0.437 1.00 0.00 H new ATOM 0 HA VAL A 84 0.670 -8.122 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 84 1.889 -5.826 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.028 -5.881 2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.504 -5.322 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.868 -6.981 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.910 -7.469 3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.119 -8.659 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.756 -8.075 1.649 1.00 0.00 H new ATOM 1369 N LEU A 85 0.349 -5.173 -1.548 1.00 0.00 N ATOM 1370 CA LEU A 85 -0.568 -4.309 -2.271 1.00 0.00 C ATOM 1371 C LEU A 85 -1.097 -5.049 -3.501 1.00 0.00 C ATOM 1372 O LEU A 85 -2.244 -4.856 -3.901 1.00 0.00 O ATOM 1373 CB LEU A 85 0.103 -2.973 -2.599 1.00 0.00 C ATOM 1374 CG LEU A 85 -0.760 -1.955 -3.347 1.00 0.00 C ATOM 1375 CD1 LEU A 85 -2.092 -1.732 -2.627 1.00 0.00 C ATOM 1376 CD2 LEU A 85 0.000 -0.645 -3.564 1.00 0.00 C ATOM 0 H LEU A 85 1.320 -4.860 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.430 -4.064 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.439 -2.519 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.993 -3.173 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.990 -2.361 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.687 -1.004 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.636 -2.675 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.903 -1.358 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.636 0.061 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.280 -0.223 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.898 -0.838 -4.150 1.00 0.00 H new ATOM 1388 N TYR A 86 -0.235 -5.882 -4.067 1.00 0.00 N ATOM 1389 CA TYR A 86 -0.602 -6.652 -5.244 1.00 0.00 C ATOM 1390 C TYR A 86 -1.500 -7.832 -4.869 1.00 0.00 C ATOM 1391 O TYR A 86 -2.469 -8.125 -5.567 1.00 0.00 O ATOM 1392 CB TYR A 86 0.710 -7.189 -5.822 1.00 0.00 C ATOM 1393 CG TYR A 86 0.524 -8.147 -7.000 1.00 0.00 C ATOM 1394 CD1 TYR A 86 0.411 -7.650 -8.282 1.00 0.00 C ATOM 1395 CD2 TYR A 86 0.470 -9.509 -6.781 1.00 0.00 C ATOM 1396 CE1 TYR A 86 0.236 -8.552 -9.391 1.00 0.00 C ATOM 1397 CE2 TYR A 86 0.296 -10.411 -7.889 1.00 0.00 C ATOM 1398 CZ TYR A 86 0.187 -9.888 -9.140 1.00 0.00 C ATOM 1399 OH TYR A 86 0.023 -10.739 -10.187 1.00 0.00 O ATOM 0 H TYR A 86 0.716 -6.040 -3.733 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.149 -6.031 -5.954 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.324 -6.348 -6.144 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.260 -7.702 -5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.454 -6.585 -8.454 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.558 -9.898 -5.777 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.146 -8.176 -10.399 1.00 0.00 H new ATOM 0 HE2 TYR A 86 0.253 -11.478 -7.731 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.510 -11.510 -9.901 1.00 0.00 H new ATOM 1409 N CYS A 87 -1.147 -8.477 -3.765 1.00 0.00 N ATOM 1410 CA CYS A 87 -1.910 -9.618 -3.289 1.00 0.00 C ATOM 1411 C CYS A 87 -3.343 -9.157 -3.016 1.00 0.00 C ATOM 1412 O CYS A 87 -4.297 -9.866 -3.332 1.00 0.00 O ATOM 1413 CB CYS A 87 -1.268 -10.250 -2.052 1.00 0.00 C ATOM 1414 SG CYS A 87 -1.779 -9.341 -0.548 1.00 0.00 S ATOM 0 H CYS A 87 -0.343 -8.230 -3.188 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.919 -10.397 -4.051 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.564 -11.296 -1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -0.182 -10.232 -2.146 1.00 0.00 H new ATOM 0 HG CYS A 87 -1.581 -8.068 -0.722 1.00 0.00 H new ATOM 1420 N VAL A 88 -3.449 -7.973 -2.432 1.00 0.00 N ATOM 1421 CA VAL A 88 -4.750 -7.410 -2.112 1.00 0.00 C ATOM 1422 C VAL A 88 -5.428 -6.942 -3.401 1.00 0.00 C ATOM 1423 O VAL A 88 -6.601 -7.236 -3.631 1.00 0.00 O ATOM 1424 CB VAL A 88 -4.598 -6.293 -1.078 1.00 0.00 C ATOM 1425 CG1 VAL A 88 -4.681 -4.916 -1.741 1.00 0.00 C ATOM 1426 CG2 VAL A 88 -5.638 -6.430 0.034 1.00 0.00 C ATOM 0 H VAL A 88 -2.655 -7.388 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.393 -8.166 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.611 -6.388 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.570 -4.140 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.885 -4.819 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.647 -4.807 -2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.508 -5.623 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.639 -6.375 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.510 -7.389 0.535 1.00 0.00 H new ATOM 1436 N HIS A 89 -4.663 -6.222 -4.208 1.00 0.00 N ATOM 1437 CA HIS A 89 -5.175 -5.711 -5.468 1.00 0.00 C ATOM 1438 C HIS A 89 -5.697 -6.871 -6.319 1.00 0.00 C ATOM 1439 O HIS A 89 -6.555 -6.679 -7.177 1.00 0.00 O ATOM 1440 CB HIS A 89 -4.114 -4.878 -6.188 1.00 0.00 C ATOM 1441 CG HIS A 89 -3.958 -3.478 -5.644 1.00 0.00 C ATOM 1442 ND1 HIS A 89 -4.975 -2.814 -4.980 1.00 0.00 N ATOM 1443 CD2 HIS A 89 -2.894 -2.625 -5.671 1.00 0.00 C ATOM 1444 CE1 HIS A 89 -4.533 -1.616 -4.629 1.00 0.00 C ATOM 1445 NE2 HIS A 89 -3.243 -1.500 -5.057 1.00 0.00 N ATOM 0 H HIS A 89 -3.691 -5.980 -4.013 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.013 -5.040 -5.278 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.155 -5.392 -6.120 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.369 -4.819 -7.246 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.931 -2.830 -6.116 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.095 -0.863 -4.097 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.645 -0.684 -4.927 1.00 0.00 H new ATOM 1454 N GLN A 90 -5.155 -8.050 -6.049 1.00 0.00 N ATOM 1455 CA GLN A 90 -5.555 -9.241 -6.779 1.00 0.00 C ATOM 1456 C GLN A 90 -6.584 -10.037 -5.973 1.00 0.00 C ATOM 1457 O GLN A 90 -7.267 -10.904 -6.517 1.00 0.00 O ATOM 1458 CB GLN A 90 -4.340 -10.106 -7.123 1.00 0.00 C ATOM 1459 CG GLN A 90 -4.393 -10.570 -8.580 1.00 0.00 C ATOM 1460 CD GLN A 90 -2.987 -10.852 -9.116 1.00 0.00 C ATOM 1461 OE1 GLN A 90 -2.153 -11.454 -8.459 1.00 0.00 O ATOM 1462 NE2 GLN A 90 -2.773 -10.385 -10.343 1.00 0.00 N ATOM 0 H GLN A 90 -4.443 -8.206 -5.335 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.017 -8.931 -7.716 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.425 -9.539 -6.951 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.307 -10.972 -6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.003 -11.470 -8.657 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.873 -9.806 -9.192 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.515 -9.890 -10.837 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.867 -10.522 -10.790 1.00 0.00 H new ATOM 1471 N ARG A 91 -6.664 -9.714 -4.691 1.00 0.00 N ATOM 1472 CA ARG A 91 -7.598 -10.387 -3.805 1.00 0.00 C ATOM 1473 C ARG A 91 -7.074 -11.776 -3.439 1.00 0.00 C ATOM 1474 O ARG A 91 -7.785 -12.769 -3.583 1.00 0.00 O ATOM 1475 CB ARG A 91 -8.974 -10.525 -4.460 1.00 0.00 C ATOM 1476 CG ARG A 91 -10.089 -10.456 -3.414 1.00 0.00 C ATOM 1477 CD ARG A 91 -11.402 -11.006 -3.975 1.00 0.00 C ATOM 1478 NE ARG A 91 -12.326 -9.891 -4.283 1.00 0.00 N ATOM 1479 CZ ARG A 91 -13.488 -10.039 -4.934 1.00 0.00 C ATOM 1480 NH1 ARG A 91 -13.876 -11.252 -5.348 1.00 0.00 N ATOM 1481 NH2 ARG A 91 -14.263 -8.971 -5.171 1.00 0.00 N ATOM 0 H ARG A 91 -6.096 -8.994 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.696 -9.783 -2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.111 -9.733 -5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.032 -11.472 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.800 -11.026 -2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.230 -9.423 -3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.207 -11.587 -4.876 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.861 -11.681 -3.253 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.062 -8.953 -3.981 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.287 -12.065 -5.168 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.761 -11.363 -5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.968 -8.047 -4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.148 -9.083 -5.666 1.00 0.00 H new ATOM 1495 N ILE A 92 -5.834 -11.801 -2.970 1.00 0.00 N ATOM 1496 CA ILE A 92 -5.207 -13.053 -2.580 1.00 0.00 C ATOM 1497 C ILE A 92 -5.125 -13.124 -1.054 1.00 0.00 C ATOM 1498 O ILE A 92 -4.503 -12.270 -0.422 1.00 0.00 O ATOM 1499 CB ILE A 92 -3.854 -13.213 -3.277 1.00 0.00 C ATOM 1500 CG1 ILE A 92 -4.033 -13.396 -4.785 1.00 0.00 C ATOM 1501 CG2 ILE A 92 -3.048 -14.353 -2.652 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -2.913 -12.699 -5.559 1.00 0.00 C ATOM 0 H ILE A 92 -5.248 -10.975 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.811 -13.900 -2.906 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.282 -12.297 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.041 -14.459 -5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.998 -12.992 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.091 -14.446 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.875 -14.140 -1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.603 -15.286 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.064 -12.845 -6.629 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.924 -11.633 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.952 -13.122 -5.268 1.00 0.00 H new ATOM 1514 N ASP A 93 -5.761 -14.148 -0.506 1.00 0.00 N ATOM 1515 CA ASP A 93 -5.768 -14.342 0.934 1.00 0.00 C ATOM 1516 C ASP A 93 -4.371 -14.056 1.489 1.00 0.00 C ATOM 1517 O ASP A 93 -3.372 -14.492 0.920 1.00 0.00 O ATOM 1518 CB ASP A 93 -6.134 -15.783 1.294 1.00 0.00 C ATOM 1519 CG ASP A 93 -7.635 -16.075 1.346 1.00 0.00 C ATOM 1520 OD1 ASP A 93 -8.403 -15.175 0.943 1.00 0.00 O ATOM 1521 OD2 ASP A 93 -7.981 -17.192 1.789 1.00 0.00 O ATOM 0 H ASP A 93 -6.276 -14.853 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.507 -13.665 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.674 -16.451 0.566 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.699 -16.021 2.265 1.00 0.00 H new ATOM 1526 N VAL A 94 -4.346 -13.325 2.593 1.00 0.00 N ATOM 1527 CA VAL A 94 -3.089 -12.976 3.232 1.00 0.00 C ATOM 1528 C VAL A 94 -3.247 -13.079 4.751 1.00 0.00 C ATOM 1529 O VAL A 94 -4.355 -13.258 5.252 1.00 0.00 O ATOM 1530 CB VAL A 94 -2.635 -11.589 2.770 1.00 0.00 C ATOM 1531 CG1 VAL A 94 -1.743 -11.689 1.531 1.00 0.00 C ATOM 1532 CG2 VAL A 94 -3.835 -10.677 2.510 1.00 0.00 C ATOM 0 H VAL A 94 -5.177 -12.964 3.062 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.305 -13.674 2.939 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.046 -11.145 3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.434 -10.690 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.861 -12.285 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.297 -12.163 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.484 -9.698 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.463 -11.115 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.414 -10.567 3.427 1.00 0.00 H new ATOM 1542 N LYS A 95 -2.121 -12.960 5.439 1.00 0.00 N ATOM 1543 CA LYS A 95 -2.120 -13.037 6.891 1.00 0.00 C ATOM 1544 C LYS A 95 -1.006 -12.147 7.443 1.00 0.00 C ATOM 1545 O LYS A 95 -1.225 -11.381 8.380 1.00 0.00 O ATOM 1546 CB LYS A 95 -2.030 -14.493 7.350 1.00 0.00 C ATOM 1547 CG LYS A 95 -3.423 -15.098 7.534 1.00 0.00 C ATOM 1548 CD LYS A 95 -3.334 -16.584 7.886 1.00 0.00 C ATOM 1549 CE LYS A 95 -4.245 -17.417 6.982 1.00 0.00 C ATOM 1550 NZ LYS A 95 -4.937 -18.464 7.767 1.00 0.00 N ATOM 0 H LYS A 95 -1.204 -12.811 5.019 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.059 -12.658 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.471 -15.075 6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.479 -14.549 8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.953 -14.565 8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.002 -14.971 6.619 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.304 -16.925 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.616 -16.732 8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.979 -16.771 6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.657 -17.878 6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.551 -19.020 7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.233 -19.091 8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.514 -18.018 8.508 1.00 0.00 H new ATOM 1564 N ASP A 96 0.167 -12.279 6.841 1.00 0.00 N ATOM 1565 CA ASP A 96 1.317 -11.497 7.262 1.00 0.00 C ATOM 1566 C ASP A 96 2.157 -11.133 6.036 1.00 0.00 C ATOM 1567 O ASP A 96 1.980 -11.710 4.964 1.00 0.00 O ATOM 1568 CB ASP A 96 2.203 -12.293 8.223 1.00 0.00 C ATOM 1569 CG ASP A 96 2.245 -13.801 7.966 1.00 0.00 C ATOM 1570 OD1 ASP A 96 1.187 -14.439 8.160 1.00 0.00 O ATOM 1571 OD2 ASP A 96 3.332 -14.281 7.581 1.00 0.00 O ATOM 0 H ASP A 96 0.346 -12.916 6.065 1.00 0.00 H new ATOM 0 HA ASP A 96 0.950 -10.603 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.219 -11.902 8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.853 -12.123 9.241 1.00 0.00 H new ATOM 1576 N THR A 97 3.053 -10.177 6.235 1.00 0.00 N ATOM 1577 CA THR A 97 3.920 -9.730 5.159 1.00 0.00 C ATOM 1578 C THR A 97 4.771 -10.891 4.641 1.00 0.00 C ATOM 1579 O THR A 97 5.039 -10.984 3.444 1.00 0.00 O ATOM 1580 CB THR A 97 4.750 -8.554 5.679 1.00 0.00 C ATOM 1581 OG1 THR A 97 5.598 -8.216 4.584 1.00 0.00 O ATOM 1582 CG2 THR A 97 5.720 -8.966 6.788 1.00 0.00 C ATOM 0 H THR A 97 3.197 -9.700 7.125 1.00 0.00 H new ATOM 0 HA THR A 97 3.341 -9.386 4.302 1.00 0.00 H new ATOM 0 HB THR A 97 4.083 -7.776 6.051 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.170 -7.461 4.834 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.284 -8.094 7.121 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.159 -9.378 7.627 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.409 -9.720 6.407 1.00 0.00 H new ATOM 1590 N LYS A 98 5.172 -11.749 5.569 1.00 0.00 N ATOM 1591 CA LYS A 98 5.987 -12.901 5.220 1.00 0.00 C ATOM 1592 C LYS A 98 5.138 -13.900 4.431 1.00 0.00 C ATOM 1593 O LYS A 98 5.600 -14.466 3.441 1.00 0.00 O ATOM 1594 CB LYS A 98 6.633 -13.497 6.472 1.00 0.00 C ATOM 1595 CG LYS A 98 7.875 -12.702 6.880 1.00 0.00 C ATOM 1596 CD LYS A 98 7.701 -12.086 8.268 1.00 0.00 C ATOM 1597 CE LYS A 98 8.687 -10.936 8.486 1.00 0.00 C ATOM 1598 NZ LYS A 98 8.751 -10.572 9.920 1.00 0.00 N ATOM 0 H LYS A 98 4.948 -11.669 6.561 1.00 0.00 H new ATOM 0 HA LYS A 98 6.813 -12.603 4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.913 -13.500 7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.907 -14.535 6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.747 -13.356 6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.063 -11.915 6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.680 -11.721 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.854 -12.850 9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.677 -11.226 8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.381 -10.070 7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.425 -9.790 10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.809 -10.275 10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.065 -11.395 10.473 1.00 0.00 H new ATOM 1612 N GLU A 99 3.913 -14.087 4.898 1.00 0.00 N ATOM 1613 CA GLU A 99 2.996 -15.007 4.248 1.00 0.00 C ATOM 1614 C GLU A 99 2.606 -14.480 2.866 1.00 0.00 C ATOM 1615 O GLU A 99 2.362 -15.261 1.946 1.00 0.00 O ATOM 1616 CB GLU A 99 1.757 -15.249 5.113 1.00 0.00 C ATOM 1617 CG GLU A 99 1.002 -16.498 4.652 1.00 0.00 C ATOM 1618 CD GLU A 99 1.715 -17.771 5.111 1.00 0.00 C ATOM 1619 OE1 GLU A 99 2.613 -18.219 4.366 1.00 0.00 O ATOM 1620 OE2 GLU A 99 1.347 -18.267 6.198 1.00 0.00 O ATOM 0 H GLU A 99 3.534 -13.617 5.720 1.00 0.00 H new ATOM 0 HA GLU A 99 3.502 -15.964 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 99 2.054 -15.363 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 99 1.098 -14.382 5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.012 -16.482 5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.918 -16.496 3.565 1.00 0.00 H new ATOM 1627 N ALA A 100 2.559 -13.161 2.762 1.00 0.00 N ATOM 1628 CA ALA A 100 2.204 -12.521 1.507 1.00 0.00 C ATOM 1629 C ALA A 100 3.322 -12.747 0.489 1.00 0.00 C ATOM 1630 O ALA A 100 3.063 -13.139 -0.648 1.00 0.00 O ATOM 1631 CB ALA A 100 1.928 -11.035 1.751 1.00 0.00 C ATOM 0 H ALA A 100 2.761 -12.517 3.527 1.00 0.00 H new ATOM 0 HA ALA A 100 1.293 -12.959 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.662 -10.555 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.105 -10.929 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.821 -10.561 2.160 1.00 0.00 H new ATOM 1637 N LEU A 101 4.544 -12.490 0.933 1.00 0.00 N ATOM 1638 CA LEU A 101 5.704 -12.661 0.075 1.00 0.00 C ATOM 1639 C LEU A 101 5.917 -14.151 -0.197 1.00 0.00 C ATOM 1640 O LEU A 101 6.395 -14.529 -1.266 1.00 0.00 O ATOM 1641 CB LEU A 101 6.925 -11.965 0.679 1.00 0.00 C ATOM 1642 CG LEU A 101 7.927 -11.381 -0.319 1.00 0.00 C ATOM 1643 CD1 LEU A 101 7.315 -10.207 -1.087 1.00 0.00 C ATOM 1644 CD2 LEU A 101 9.233 -10.993 0.378 1.00 0.00 C ATOM 0 H LEU A 101 4.756 -12.165 1.876 1.00 0.00 H new ATOM 0 HA LEU A 101 5.538 -12.181 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.576 -11.160 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.449 -12.680 1.313 1.00 0.00 H new ATOM 0 HG LEU A 101 8.170 -12.152 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.048 -9.810 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.436 -10.548 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.025 -9.425 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.928 -10.581 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.028 -10.246 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.675 -11.876 0.840 1.00 0.00 H new ATOM 1656 N ASP A 102 5.552 -14.958 0.788 1.00 0.00 N ATOM 1657 CA ASP A 102 5.698 -16.399 0.669 1.00 0.00 C ATOM 1658 C ASP A 102 4.672 -16.929 -0.335 1.00 0.00 C ATOM 1659 O ASP A 102 4.988 -17.795 -1.151 1.00 0.00 O ATOM 1660 CB ASP A 102 5.447 -17.091 2.010 1.00 0.00 C ATOM 1661 CG ASP A 102 5.888 -18.554 2.076 1.00 0.00 C ATOM 1662 OD1 ASP A 102 5.143 -19.396 1.529 1.00 0.00 O ATOM 1663 OD2 ASP A 102 6.960 -18.798 2.671 1.00 0.00 O ATOM 0 H ASP A 102 5.155 -14.641 1.673 1.00 0.00 H new ATOM 0 HA ASP A 102 6.716 -16.609 0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.966 -16.535 2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.382 -17.038 2.235 1.00 0.00 H new ATOM 1668 N LYS A 103 3.467 -16.387 -0.243 1.00 0.00 N ATOM 1669 CA LYS A 103 2.394 -16.795 -1.134 1.00 0.00 C ATOM 1670 C LYS A 103 2.758 -16.416 -2.571 1.00 0.00 C ATOM 1671 O LYS A 103 2.627 -17.230 -3.484 1.00 0.00 O ATOM 1672 CB LYS A 103 1.058 -16.215 -0.664 1.00 0.00 C ATOM 1673 CG LYS A 103 0.301 -17.219 0.209 1.00 0.00 C ATOM 1674 CD LYS A 103 -0.262 -18.364 -0.635 1.00 0.00 C ATOM 1675 CE LYS A 103 -1.775 -18.223 -0.808 1.00 0.00 C ATOM 1676 NZ LYS A 103 -2.453 -19.503 -0.501 1.00 0.00 N ATOM 0 H LYS A 103 3.210 -15.669 0.434 1.00 0.00 H new ATOM 0 HA LYS A 103 2.271 -17.878 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.233 -15.298 -0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.450 -15.947 -1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.969 -17.619 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.512 -16.713 0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.220 -18.372 -1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.034 -19.318 -0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -2.151 -17.439 -0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.004 -17.919 -1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -3.480 -19.390 -0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -2.107 -20.242 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.249 -19.777 0.481 1.00 0.00 H new ATOM 1690 N ILE A 104 3.206 -15.179 -2.728 1.00 0.00 N ATOM 1691 CA ILE A 104 3.590 -14.682 -4.038 1.00 0.00 C ATOM 1692 C ILE A 104 4.834 -15.432 -4.518 1.00 0.00 C ATOM 1693 O ILE A 104 4.983 -15.692 -5.710 1.00 0.00 O ATOM 1694 CB ILE A 104 3.761 -13.162 -4.005 1.00 0.00 C ATOM 1695 CG1 ILE A 104 3.239 -12.524 -5.294 1.00 0.00 C ATOM 1696 CG2 ILE A 104 5.216 -12.781 -3.723 1.00 0.00 C ATOM 1697 CD1 ILE A 104 2.026 -11.636 -5.014 1.00 0.00 C ATOM 0 H ILE A 104 3.312 -14.506 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 104 2.801 -14.874 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 104 3.161 -12.767 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.029 -11.932 -5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.967 -13.304 -6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.311 -11.695 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.518 -13.188 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.857 -13.188 -4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.675 -11.195 -5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.230 -12.236 -4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.308 -10.843 -4.321 1.00 0.00 H new ATOM 1709 N GLU A 105 5.695 -15.756 -3.566 1.00 0.00 N ATOM 1710 CA GLU A 105 6.922 -16.471 -3.877 1.00 0.00 C ATOM 1711 C GLU A 105 6.601 -17.864 -4.420 1.00 0.00 C ATOM 1712 O GLU A 105 7.249 -18.334 -5.354 1.00 0.00 O ATOM 1713 CB GLU A 105 7.833 -16.555 -2.651 1.00 0.00 C ATOM 1714 CG GLU A 105 9.115 -17.325 -2.973 1.00 0.00 C ATOM 1715 CD GLU A 105 9.423 -18.357 -1.886 1.00 0.00 C ATOM 1716 OE1 GLU A 105 8.540 -19.208 -1.645 1.00 0.00 O ATOM 1717 OE2 GLU A 105 10.535 -18.271 -1.321 1.00 0.00 O ATOM 0 H GLU A 105 5.568 -15.537 -2.578 1.00 0.00 H new ATOM 0 HA GLU A 105 7.457 -15.917 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.084 -15.550 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.305 -17.046 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.011 -17.826 -3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.948 -16.628 -3.065 1.00 0.00 H new