USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 956 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 122 MET CE :methyl 166:sc= -0.686 (180deg=-1.01) USER MOD Set 1.2: A 124 CYS SG : rot 180:sc= -0.931 USER MOD Single : A 11 LYS NZ :NH3+ -137:sc= -0.345 (180deg=-1.57!) USER MOD Single : A 14 ASN : amide:sc= -2.03! C(o=-2!,f=-7.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 3:sc= -3.48! USER MOD Single : A 25 CYS SG : rot 75:sc= 0.465 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= -0.602 (180deg=-1.18) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -7:sc= -0.736 USER MOD Single : A 37 HIS : no HD1:sc=-0.00114 X(o=-0.0011,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0614 K(o=-0.061,f=-1.4) USER MOD Single : A 42 THR OG1 : rot 90:sc= 0.21 USER MOD Single : A 45 GLN : amide:sc= -7.36! C(o=-7.4!,f=-4.9!) USER MOD Single : A 46 ASN : amide:sc= -7.73! C(o=-7.7!,f=-22!) USER MOD Single : A 48 CYS SG : rot -43:sc= -3.49 USER MOD Single : A 53 SER OG : rot 37:sc= 1.08 USER MOD Single : A 60 THR OG1 : rot -130:sc= 0 USER MOD Single : A 62 THR OG1 : rot -140:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -4.12! C(o=-4.1!,f=-2.6!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.1!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.021 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -134:sc= 0.253 (180deg=-3.05!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -160:sc= -0.0406 (180deg=-0.38) USER MOD Single : A 101 MET CE :methyl -121:sc= -0.0203 (180deg=-0.371) USER MOD Single : A 104 ASN : amide:sc= -0.0299 K(o=-0.03,f=-0.6) USER MOD Single : A 107 CYS SG : rot -147:sc= -6.36! USER MOD Single : A 111 LYS NZ :NH3+ 149:sc= -0.213 (180deg=-1.11) USER MOD Single : A 117 HIS : no HE2:sc= -3.59! C(o=-3.6!,f=-5.9!) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 GLN : amide:sc= -3.85! C(o=-3.9!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 11 -3.807 -23.488 -3.050 1.00 0.00 N ATOM 112 CA LYS A 11 -2.809 -22.547 -3.631 1.00 0.00 C ATOM 113 C LYS A 11 -2.023 -21.868 -2.509 1.00 0.00 C ATOM 114 O LYS A 11 -0.814 -21.782 -2.554 1.00 0.00 O ATOM 115 CB LYS A 11 -3.516 -21.502 -4.504 1.00 0.00 C ATOM 116 CG LYS A 11 -4.263 -20.502 -3.621 1.00 0.00 C ATOM 117 CD LYS A 11 -5.227 -19.638 -4.459 1.00 0.00 C ATOM 118 CE LYS A 11 -4.489 -18.437 -5.058 1.00 0.00 C ATOM 119 NZ LYS A 11 -3.845 -17.651 -3.964 1.00 0.00 N ATOM 0 HA LYS A 11 -2.113 -23.104 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.787 -20.979 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.214 -21.994 -5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.822 -21.036 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.548 -19.860 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.663 -20.239 -5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.050 -19.292 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.735 -18.777 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.186 -17.807 -5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.992 -16.635 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.268 -17.915 -3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.825 -17.855 -3.944 1.00 0.00 H new ATOM 133 N PHE A 12 -2.688 -21.384 -1.495 1.00 0.00 N ATOM 134 CA PHE A 12 -1.942 -20.714 -0.389 1.00 0.00 C ATOM 135 C PHE A 12 -0.946 -21.688 0.261 1.00 0.00 C ATOM 136 O PHE A 12 0.165 -21.320 0.590 1.00 0.00 O ATOM 137 CB PHE A 12 -2.927 -20.191 0.672 1.00 0.00 C ATOM 138 CG PHE A 12 -2.164 -19.710 1.890 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.475 -18.488 1.862 1.00 0.00 C ATOM 140 CD2 PHE A 12 -2.138 -20.496 3.048 1.00 0.00 C ATOM 141 CE1 PHE A 12 -0.764 -18.059 2.990 1.00 0.00 C ATOM 142 CE2 PHE A 12 -1.431 -20.066 4.175 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.745 -18.851 4.146 1.00 0.00 C ATOM 0 H PHE A 12 -3.701 -21.422 -1.384 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.387 -19.875 -0.808 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.521 -19.376 0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.623 -20.981 0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.493 -17.878 0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.666 -21.438 3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.231 -17.120 2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.416 -20.674 5.068 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.198 -18.520 5.017 1.00 0.00 H new ATOM 153 N GLU A 13 -1.338 -22.915 0.485 1.00 0.00 N ATOM 154 CA GLU A 13 -0.412 -23.875 1.158 1.00 0.00 C ATOM 155 C GLU A 13 0.747 -24.332 0.246 1.00 0.00 C ATOM 156 O GLU A 13 1.773 -24.750 0.744 1.00 0.00 O ATOM 157 CB GLU A 13 -1.212 -25.094 1.682 1.00 0.00 C ATOM 158 CG GLU A 13 -1.360 -26.191 0.606 1.00 0.00 C ATOM 159 CD GLU A 13 -0.256 -27.247 0.780 1.00 0.00 C ATOM 160 OE1 GLU A 13 0.876 -26.968 0.413 1.00 0.00 O ATOM 161 OE2 GLU A 13 -0.562 -28.313 1.290 1.00 0.00 O ATOM 0 H GLU A 13 -2.252 -23.292 0.234 1.00 0.00 H new ATOM 0 HA GLU A 13 0.047 -23.350 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.711 -25.509 2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.200 -24.768 2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.340 -26.661 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.298 -25.748 -0.388 1.00 0.00 H new ATOM 168 N ASN A 14 0.597 -24.305 -1.075 1.00 0.00 N ATOM 169 CA ASN A 14 1.711 -24.801 -1.967 1.00 0.00 C ATOM 170 C ASN A 14 2.141 -23.769 -3.011 1.00 0.00 C ATOM 171 O ASN A 14 3.069 -24.017 -3.763 1.00 0.00 O ATOM 172 CB ASN A 14 1.240 -26.059 -2.706 1.00 0.00 C ATOM 173 CG ASN A 14 0.106 -25.717 -3.690 1.00 0.00 C ATOM 174 OD1 ASN A 14 0.151 -24.715 -4.379 1.00 0.00 O ATOM 175 ND2 ASN A 14 -0.915 -26.527 -3.788 1.00 0.00 N ATOM 0 H ASN A 14 -0.233 -23.967 -1.562 1.00 0.00 H new ATOM 0 HA ASN A 14 2.567 -25.005 -1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.076 -26.504 -3.246 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.893 -26.801 -1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.671 -26.318 -4.440 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.956 -27.368 -3.212 1.00 0.00 H new ATOM 182 N GLU A 15 1.513 -22.627 -3.099 1.00 0.00 N ATOM 183 CA GLU A 15 1.975 -21.654 -4.129 1.00 0.00 C ATOM 184 C GLU A 15 3.177 -20.883 -3.570 1.00 0.00 C ATOM 185 O GLU A 15 3.076 -20.186 -2.584 1.00 0.00 O ATOM 186 CB GLU A 15 0.859 -20.677 -4.501 1.00 0.00 C ATOM 187 CG GLU A 15 1.308 -19.929 -5.759 1.00 0.00 C ATOM 188 CD GLU A 15 0.300 -18.850 -6.149 1.00 0.00 C ATOM 189 OE1 GLU A 15 -0.696 -18.719 -5.463 1.00 0.00 O ATOM 190 OE2 GLU A 15 0.549 -18.172 -7.133 1.00 0.00 O ATOM 0 H GLU A 15 0.725 -22.332 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 15 2.259 -22.197 -5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.074 -21.211 -4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.672 -19.979 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.283 -19.474 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.427 -20.634 -6.582 1.00 0.00 H new ATOM 197 N GLU A 16 4.313 -21.029 -4.187 1.00 0.00 N ATOM 198 CA GLU A 16 5.550 -20.335 -3.701 1.00 0.00 C ATOM 199 C GLU A 16 5.537 -18.823 -4.023 1.00 0.00 C ATOM 200 O GLU A 16 6.360 -18.080 -3.532 1.00 0.00 O ATOM 201 CB GLU A 16 6.773 -21.001 -4.348 1.00 0.00 C ATOM 202 CG GLU A 16 6.914 -22.436 -3.827 1.00 0.00 C ATOM 203 CD GLU A 16 8.138 -23.103 -4.462 1.00 0.00 C ATOM 204 OE1 GLU A 16 8.219 -23.114 -5.680 1.00 0.00 O ATOM 205 OE2 GLU A 16 8.971 -23.599 -3.721 1.00 0.00 O ATOM 0 H GLU A 16 4.446 -21.605 -5.018 1.00 0.00 H new ATOM 0 HA GLU A 16 5.592 -20.428 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.665 -21.006 -5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.673 -20.431 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.014 -22.430 -2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.015 -23.007 -4.061 1.00 0.00 H new ATOM 212 N PHE A 17 4.637 -18.360 -4.843 1.00 0.00 N ATOM 213 CA PHE A 17 4.632 -16.900 -5.197 1.00 0.00 C ATOM 214 C PHE A 17 4.668 -16.026 -3.926 1.00 0.00 C ATOM 215 O PHE A 17 4.894 -14.830 -3.997 1.00 0.00 O ATOM 216 CB PHE A 17 3.394 -16.597 -6.083 1.00 0.00 C ATOM 217 CG PHE A 17 2.868 -15.191 -5.877 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.662 -14.074 -6.174 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.568 -15.011 -5.390 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.155 -12.782 -5.974 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.063 -13.725 -5.190 1.00 0.00 C ATOM 222 CZ PHE A 17 1.853 -12.609 -5.479 1.00 0.00 C ATOM 0 H PHE A 17 3.907 -18.918 -5.285 1.00 0.00 H new ATOM 0 HA PHE A 17 5.529 -16.655 -5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.659 -16.733 -7.132 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.605 -17.314 -5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.663 -14.209 -6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.953 -15.871 -5.168 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.766 -11.921 -6.201 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.060 -13.592 -4.811 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.462 -11.615 -5.322 1.00 0.00 H new ATOM 232 N PHE A 18 4.459 -16.583 -2.766 1.00 0.00 N ATOM 233 CA PHE A 18 4.495 -15.726 -1.549 1.00 0.00 C ATOM 234 C PHE A 18 5.945 -15.414 -1.154 1.00 0.00 C ATOM 235 O PHE A 18 6.353 -14.274 -1.122 1.00 0.00 O ATOM 236 CB PHE A 18 3.764 -16.440 -0.408 1.00 0.00 C ATOM 237 CG PHE A 18 2.460 -16.983 -0.942 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.525 -16.107 -1.507 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.196 -18.357 -0.899 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.324 -16.600 -2.031 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.998 -18.853 -1.427 1.00 0.00 C ATOM 242 CZ PHE A 18 0.062 -17.974 -1.995 1.00 0.00 C ATOM 0 H PHE A 18 4.269 -17.573 -2.609 1.00 0.00 H new ATOM 0 HA PHE A 18 3.995 -14.780 -1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.378 -17.249 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.579 -15.749 0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.731 -15.047 -1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.915 -19.033 -0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.398 -15.922 -2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.794 -19.913 -1.397 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.861 -18.359 -2.404 1.00 0.00 H new ATOM 252 N ARG A 19 6.730 -16.404 -0.864 1.00 0.00 N ATOM 253 CA ARG A 19 8.151 -16.129 -0.490 1.00 0.00 C ATOM 254 C ARG A 19 8.900 -15.486 -1.668 1.00 0.00 C ATOM 255 O ARG A 19 9.805 -14.695 -1.480 1.00 0.00 O ATOM 256 CB ARG A 19 8.852 -17.422 -0.002 1.00 0.00 C ATOM 257 CG ARG A 19 8.212 -18.680 -0.638 1.00 0.00 C ATOM 258 CD ARG A 19 7.085 -19.214 0.259 1.00 0.00 C ATOM 259 NE ARG A 19 6.673 -20.563 -0.197 1.00 0.00 N ATOM 260 CZ ARG A 19 5.964 -21.310 0.598 1.00 0.00 C ATOM 261 NH1 ARG A 19 5.669 -20.875 1.791 1.00 0.00 N ATOM 262 NH2 ARG A 19 5.551 -22.480 0.207 1.00 0.00 N ATOM 0 H ARG A 19 6.460 -17.387 -0.867 1.00 0.00 H new ATOM 0 HA ARG A 19 8.164 -15.421 0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.911 -17.382 -0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.786 -17.487 1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.817 -18.437 -1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.970 -19.450 -0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.423 -19.258 1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.233 -18.535 0.230 1.00 0.00 H new ATOM 0 HE ARG A 19 6.942 -20.901 -1.121 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.993 -19.957 2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.114 -21.453 2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.783 -22.817 -0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.996 -23.061 0.835 1.00 0.00 H new ATOM 276 N LYS A 20 8.534 -15.825 -2.875 1.00 0.00 N ATOM 277 CA LYS A 20 9.230 -15.256 -4.078 1.00 0.00 C ATOM 278 C LYS A 20 9.111 -13.732 -4.117 1.00 0.00 C ATOM 279 O LYS A 20 10.033 -13.052 -4.527 1.00 0.00 O ATOM 280 CB LYS A 20 8.596 -15.833 -5.351 1.00 0.00 C ATOM 281 CG LYS A 20 8.743 -17.366 -5.369 1.00 0.00 C ATOM 282 CD LYS A 20 10.123 -17.771 -5.940 1.00 0.00 C ATOM 283 CE LYS A 20 10.046 -17.842 -7.473 1.00 0.00 C ATOM 284 NZ LYS A 20 11.379 -18.210 -8.047 1.00 0.00 N ATOM 0 H LYS A 20 7.778 -16.476 -3.086 1.00 0.00 H new ATOM 0 HA LYS A 20 10.285 -15.523 -4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.542 -15.561 -5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.075 -15.404 -6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.631 -17.760 -4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.949 -17.806 -5.973 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.880 -17.047 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.426 -18.737 -5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.299 -18.577 -7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.724 -16.880 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.310 -18.254 -9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.083 -17.494 -7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.671 -19.138 -7.680 1.00 0.00 H new ATOM 298 N LEU A 21 7.996 -13.185 -3.713 1.00 0.00 N ATOM 299 CA LEU A 21 7.831 -11.694 -3.737 1.00 0.00 C ATOM 300 C LEU A 21 7.130 -11.223 -2.469 1.00 0.00 C ATOM 301 O LEU A 21 7.385 -10.136 -1.980 1.00 0.00 O ATOM 302 CB LEU A 21 6.971 -11.295 -4.938 1.00 0.00 C ATOM 303 CG LEU A 21 7.733 -11.521 -6.247 1.00 0.00 C ATOM 304 CD1 LEU A 21 6.788 -11.251 -7.420 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.958 -10.587 -6.337 1.00 0.00 C ATOM 0 H LEU A 21 7.189 -13.703 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 21 8.818 -11.236 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.050 -11.878 -4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.684 -10.247 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 21 8.089 -12.551 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.319 -11.409 -8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.937 -11.930 -7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.434 -10.221 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.484 -10.766 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.628 -9.549 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.629 -10.786 -5.502 1.00 0.00 H new ATOM 317 N SER A 22 6.241 -12.007 -1.930 1.00 0.00 N ATOM 318 CA SER A 22 5.529 -11.560 -0.702 1.00 0.00 C ATOM 319 C SER A 22 6.455 -11.753 0.505 1.00 0.00 C ATOM 320 O SER A 22 6.232 -12.582 1.366 1.00 0.00 O ATOM 321 CB SER A 22 4.229 -12.354 -0.535 1.00 0.00 C ATOM 322 OG SER A 22 4.508 -13.576 0.119 1.00 0.00 O ATOM 0 H SER A 22 5.978 -12.928 -2.281 1.00 0.00 H new ATOM 0 HA SER A 22 5.268 -10.505 -0.781 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.508 -11.776 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.778 -12.544 -1.509 1.00 0.00 H new ATOM 0 HG SER A 22 5.459 -13.612 0.354 1.00 0.00 H new ATOM 328 N ARG A 23 7.498 -10.972 0.554 1.00 0.00 N ATOM 329 CA ARG A 23 8.478 -11.058 1.678 1.00 0.00 C ATOM 330 C ARG A 23 9.044 -9.638 1.892 1.00 0.00 C ATOM 331 O ARG A 23 8.645 -8.711 1.208 1.00 0.00 O ATOM 332 CB ARG A 23 9.593 -12.056 1.296 1.00 0.00 C ATOM 333 CG ARG A 23 10.286 -12.605 2.550 1.00 0.00 C ATOM 334 CD ARG A 23 11.402 -13.573 2.134 1.00 0.00 C ATOM 335 NE ARG A 23 12.077 -14.120 3.349 1.00 0.00 N ATOM 336 CZ ARG A 23 12.840 -15.178 3.259 1.00 0.00 C ATOM 337 NH1 ARG A 23 12.946 -15.820 2.126 1.00 0.00 N ATOM 338 NH2 ARG A 23 13.473 -15.610 4.316 1.00 0.00 N ATOM 0 H ARG A 23 7.718 -10.266 -0.148 1.00 0.00 H new ATOM 0 HA ARG A 23 8.015 -11.412 2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.169 -12.878 0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.325 -11.563 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.700 -11.786 3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.562 -13.118 3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.987 -14.387 1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.128 -13.057 1.505 1.00 0.00 H new ATOM 0 HE ARG A 23 11.942 -13.666 4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.432 -15.496 1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.543 -16.645 2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.371 -15.123 5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.070 -16.435 4.252 1.00 0.00 H new ATOM 352 N GLU A 24 9.942 -9.431 2.827 1.00 0.00 N ATOM 353 CA GLU A 24 10.485 -8.051 3.015 1.00 0.00 C ATOM 354 C GLU A 24 11.179 -7.625 1.716 1.00 0.00 C ATOM 355 O GLU A 24 12.163 -8.213 1.306 1.00 0.00 O ATOM 356 CB GLU A 24 11.463 -8.028 4.207 1.00 0.00 C ATOM 357 CG GLU A 24 12.814 -8.634 3.817 1.00 0.00 C ATOM 358 CD GLU A 24 13.605 -8.985 5.082 1.00 0.00 C ATOM 359 OE1 GLU A 24 14.316 -8.119 5.562 1.00 0.00 O ATOM 360 OE2 GLU A 24 13.488 -10.108 5.544 1.00 0.00 O ATOM 0 H GLU A 24 10.315 -10.143 3.455 1.00 0.00 H new ATOM 0 HA GLU A 24 9.680 -7.350 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.605 -7.002 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.038 -8.584 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.662 -9.528 3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.378 -7.928 3.207 1.00 0.00 H new ATOM 367 N CYS A 25 10.656 -6.624 1.042 1.00 0.00 N ATOM 368 CA CYS A 25 11.268 -6.169 -0.253 1.00 0.00 C ATOM 369 C CYS A 25 11.422 -4.641 -0.271 1.00 0.00 C ATOM 370 O CYS A 25 10.610 -3.925 0.286 1.00 0.00 O ATOM 371 CB CYS A 25 10.352 -6.608 -1.393 1.00 0.00 C ATOM 372 SG CYS A 25 10.343 -8.413 -1.484 1.00 0.00 S ATOM 0 H CYS A 25 9.830 -6.101 1.333 1.00 0.00 H new ATOM 0 HA CYS A 25 12.258 -6.611 -0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.341 -6.235 -1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.697 -6.186 -2.337 1.00 0.00 H new ATOM 0 HG CYS A 25 9.620 -8.893 -0.516 1.00 0.00 H new ATOM 378 N GLU A 26 12.444 -4.134 -0.924 1.00 0.00 N ATOM 379 CA GLU A 26 12.619 -2.651 -0.988 1.00 0.00 C ATOM 380 C GLU A 26 11.434 -2.060 -1.748 1.00 0.00 C ATOM 381 O GLU A 26 10.889 -2.690 -2.633 1.00 0.00 O ATOM 382 CB GLU A 26 13.921 -2.297 -1.719 1.00 0.00 C ATOM 383 CG GLU A 26 15.110 -2.978 -1.039 1.00 0.00 C ATOM 384 CD GLU A 26 16.425 -2.437 -1.633 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.421 -2.060 -2.798 1.00 0.00 O ATOM 386 OE2 GLU A 26 17.408 -2.410 -0.914 1.00 0.00 O ATOM 0 H GLU A 26 13.156 -4.679 -1.410 1.00 0.00 H new ATOM 0 HA GLU A 26 12.668 -2.245 0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.859 -2.612 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.064 -1.216 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.082 -2.794 0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.053 -4.057 -1.179 1.00 0.00 H new ATOM 393 N ILE A 27 11.022 -0.858 -1.420 1.00 0.00 N ATOM 394 CA ILE A 27 9.854 -0.255 -2.147 1.00 0.00 C ATOM 395 C ILE A 27 10.113 1.222 -2.441 1.00 0.00 C ATOM 396 O ILE A 27 10.835 1.907 -1.724 1.00 0.00 O ATOM 397 CB ILE A 27 8.593 -0.406 -1.297 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.643 0.523 -0.066 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.483 -1.853 -0.816 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.331 0.427 0.718 1.00 0.00 C ATOM 0 H ILE A 27 11.435 -0.274 -0.692 1.00 0.00 H new ATOM 0 HA ILE A 27 9.718 -0.776 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 27 7.731 -0.137 -1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.480 0.246 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.812 1.552 -0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.585 -1.967 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.426 -2.519 -1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.359 -2.106 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.376 1.086 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.502 0.726 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.180 -0.600 1.051 1.00 0.00 H new ATOM 412 N LYS A 28 9.511 1.728 -3.489 1.00 0.00 N ATOM 413 CA LYS A 28 9.716 3.154 -3.848 1.00 0.00 C ATOM 414 C LYS A 28 8.440 3.725 -4.487 1.00 0.00 C ATOM 415 O LYS A 28 7.899 3.182 -5.433 1.00 0.00 O ATOM 416 CB LYS A 28 10.898 3.213 -4.819 1.00 0.00 C ATOM 417 CG LYS A 28 11.306 4.664 -5.074 1.00 0.00 C ATOM 418 CD LYS A 28 12.669 4.703 -5.774 1.00 0.00 C ATOM 419 CE LYS A 28 12.610 3.898 -7.075 1.00 0.00 C ATOM 420 NZ LYS A 28 11.355 4.227 -7.817 1.00 0.00 N ATOM 0 H LYS A 28 8.887 1.210 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 28 9.930 3.756 -2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.742 2.658 -4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.628 2.734 -5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.556 5.160 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.355 5.209 -4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.949 5.735 -5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.437 4.294 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.479 4.124 -7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.644 2.831 -6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.482 4.010 -8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.569 3.662 -7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.140 5.238 -7.704 1.00 0.00 H new ATOM 434 N TYR A 29 7.955 4.821 -3.960 1.00 0.00 N ATOM 435 CA TYR A 29 6.703 5.436 -4.502 1.00 0.00 C ATOM 436 C TYR A 29 6.929 5.937 -5.919 1.00 0.00 C ATOM 437 O TYR A 29 7.931 6.556 -6.216 1.00 0.00 O ATOM 438 CB TYR A 29 6.318 6.608 -3.602 1.00 0.00 C ATOM 439 CG TYR A 29 5.036 7.277 -4.069 1.00 0.00 C ATOM 440 CD1 TYR A 29 5.054 8.144 -5.174 1.00 0.00 C ATOM 441 CD2 TYR A 29 3.834 7.067 -3.372 1.00 0.00 C ATOM 442 CE1 TYR A 29 3.876 8.792 -5.578 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.660 7.721 -3.783 1.00 0.00 C ATOM 444 CZ TYR A 29 2.688 8.580 -4.883 1.00 0.00 C ATOM 445 OH TYR A 29 1.534 9.213 -5.288 1.00 0.00 O ATOM 0 H TYR A 29 8.374 5.319 -3.174 1.00 0.00 H new ATOM 0 HA TYR A 29 5.907 4.691 -4.523 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.192 6.255 -2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.127 7.339 -3.590 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.975 8.312 -5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.812 6.403 -2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.891 9.456 -6.429 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.736 7.559 -3.248 1.00 0.00 H new ATOM 0 HH TYR A 29 0.795 8.956 -4.697 1.00 0.00 H new ATOM 455 N THR A 30 5.993 5.690 -6.800 1.00 0.00 N ATOM 456 CA THR A 30 6.146 6.169 -8.206 1.00 0.00 C ATOM 457 C THR A 30 5.560 7.571 -8.333 1.00 0.00 C ATOM 458 O THR A 30 4.456 7.829 -7.911 1.00 0.00 O ATOM 459 CB THR A 30 5.440 5.217 -9.181 1.00 0.00 C ATOM 460 OG1 THR A 30 4.117 4.952 -8.739 1.00 0.00 O ATOM 461 CG2 THR A 30 6.216 3.909 -9.249 1.00 0.00 C ATOM 0 H THR A 30 5.132 5.179 -6.607 1.00 0.00 H new ATOM 0 HA THR A 30 7.207 6.193 -8.456 1.00 0.00 H new ATOM 0 HB THR A 30 5.399 5.682 -10.166 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.982 5.349 -7.853 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.720 3.227 -9.940 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.230 4.105 -9.598 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.254 3.457 -8.258 1.00 0.00 H new ATOM 469 N GLY A 31 6.299 8.476 -8.916 1.00 0.00 N ATOM 470 CA GLY A 31 5.798 9.874 -9.066 1.00 0.00 C ATOM 471 C GLY A 31 6.811 10.693 -9.864 1.00 0.00 C ATOM 472 O GLY A 31 7.696 10.162 -10.505 1.00 0.00 O ATOM 0 H GLY A 31 7.230 8.308 -9.296 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.833 9.874 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.642 10.323 -8.085 1.00 0.00 H new ATOM 476 N PHE A 32 6.678 11.989 -9.825 1.00 0.00 N ATOM 477 CA PHE A 32 7.614 12.868 -10.572 1.00 0.00 C ATOM 478 C PHE A 32 8.956 12.925 -9.834 1.00 0.00 C ATOM 479 O PHE A 32 9.381 13.958 -9.358 1.00 0.00 O ATOM 480 CB PHE A 32 6.998 14.273 -10.673 1.00 0.00 C ATOM 481 CG PHE A 32 5.698 14.195 -11.448 1.00 0.00 C ATOM 482 CD1 PHE A 32 5.709 13.823 -12.796 1.00 0.00 C ATOM 483 CD2 PHE A 32 4.483 14.493 -10.818 1.00 0.00 C ATOM 484 CE1 PHE A 32 4.511 13.749 -13.511 1.00 0.00 C ATOM 485 CE2 PHE A 32 3.281 14.418 -11.539 1.00 0.00 C ATOM 486 CZ PHE A 32 3.299 14.047 -12.884 1.00 0.00 C ATOM 0 H PHE A 32 5.953 12.480 -9.302 1.00 0.00 H new ATOM 0 HA PHE A 32 7.783 12.476 -11.575 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.817 14.676 -9.676 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.691 14.952 -11.170 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.644 13.593 -13.285 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.471 14.781 -9.777 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.522 13.460 -14.552 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.344 14.647 -11.054 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.375 13.990 -13.441 1.00 0.00 H new ATOM 496 N ARG A 33 9.620 11.813 -9.745 1.00 0.00 N ATOM 497 CA ARG A 33 10.942 11.757 -9.057 1.00 0.00 C ATOM 498 C ARG A 33 11.945 12.698 -9.737 1.00 0.00 C ATOM 499 O ARG A 33 12.941 13.073 -9.150 1.00 0.00 O ATOM 500 CB ARG A 33 11.470 10.321 -9.118 1.00 0.00 C ATOM 501 CG ARG A 33 10.520 9.362 -8.379 1.00 0.00 C ATOM 502 CD ARG A 33 10.624 9.557 -6.863 1.00 0.00 C ATOM 503 NE ARG A 33 12.053 9.451 -6.460 1.00 0.00 N ATOM 504 CZ ARG A 33 12.447 9.913 -5.309 1.00 0.00 C ATOM 505 NH1 ARG A 33 11.625 10.590 -4.561 1.00 0.00 N ATOM 506 NH2 ARG A 33 13.675 9.723 -4.922 1.00 0.00 N ATOM 0 H ARG A 33 9.300 10.922 -10.125 1.00 0.00 H new ATOM 0 HA ARG A 33 10.819 12.072 -8.021 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.573 10.010 -10.158 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.463 10.274 -8.671 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.494 9.537 -8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.764 8.331 -8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.224 10.531 -6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.029 8.805 -6.345 1.00 0.00 H new ATOM 0 HE ARG A 33 12.727 9.014 -7.089 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.670 10.759 -4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.936 10.951 -3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.325 9.213 -5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.987 10.084 -4.020 1.00 0.00 H new ATOM 520 N ASP A 34 11.707 13.059 -10.970 1.00 0.00 N ATOM 521 CA ASP A 34 12.675 13.948 -11.688 1.00 0.00 C ATOM 522 C ASP A 34 12.523 15.381 -11.190 1.00 0.00 C ATOM 523 O ASP A 34 13.288 16.257 -11.545 1.00 0.00 O ATOM 524 CB ASP A 34 12.384 13.909 -13.185 1.00 0.00 C ATOM 525 CG ASP A 34 10.955 14.382 -13.440 1.00 0.00 C ATOM 526 OD1 ASP A 34 10.237 14.584 -12.477 1.00 0.00 O ATOM 527 OD2 ASP A 34 10.606 14.537 -14.599 1.00 0.00 O ATOM 0 H ASP A 34 10.889 12.780 -11.511 1.00 0.00 H new ATOM 0 HA ASP A 34 13.690 13.600 -11.498 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.089 14.545 -13.720 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.516 12.896 -13.565 1.00 0.00 H new ATOM 532 N ARG A 35 11.566 15.628 -10.345 1.00 0.00 N ATOM 533 CA ARG A 35 11.403 16.998 -9.809 1.00 0.00 C ATOM 534 C ARG A 35 12.387 17.152 -8.637 1.00 0.00 C ATOM 535 O ARG A 35 12.683 16.185 -7.960 1.00 0.00 O ATOM 536 CB ARG A 35 9.952 17.203 -9.331 1.00 0.00 C ATOM 537 CG ARG A 35 9.006 17.361 -10.542 1.00 0.00 C ATOM 538 CD ARG A 35 9.015 18.811 -11.029 1.00 0.00 C ATOM 539 NE ARG A 35 8.011 18.961 -12.111 1.00 0.00 N ATOM 540 CZ ARG A 35 7.623 20.155 -12.462 1.00 0.00 C ATOM 541 NH1 ARG A 35 8.120 21.198 -11.856 1.00 0.00 N ATOM 542 NH2 ARG A 35 6.740 20.316 -13.414 1.00 0.00 N ATOM 0 H ARG A 35 10.893 14.941 -10.005 1.00 0.00 H new ATOM 0 HA ARG A 35 11.610 17.745 -10.575 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.638 16.354 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.892 18.087 -8.696 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.319 16.697 -11.347 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.994 17.069 -10.263 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.785 19.487 -10.205 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.006 19.080 -11.395 1.00 0.00 H new ATOM 0 HE ARG A 35 7.628 18.138 -12.576 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.808 21.076 -11.113 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.821 22.135 -12.126 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.348 19.503 -13.889 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.443 21.255 -13.681 1.00 0.00 H new ATOM 556 N PRO A 36 12.905 18.333 -8.399 1.00 0.00 N ATOM 557 CA PRO A 36 13.869 18.570 -7.281 1.00 0.00 C ATOM 558 C PRO A 36 13.426 17.881 -5.975 1.00 0.00 C ATOM 559 O PRO A 36 12.399 17.234 -5.922 1.00 0.00 O ATOM 560 CB PRO A 36 13.853 20.091 -7.114 1.00 0.00 C ATOM 561 CG PRO A 36 13.489 20.639 -8.457 1.00 0.00 C ATOM 562 CD PRO A 36 12.642 19.574 -9.159 1.00 0.00 C ATOM 0 HA PRO A 36 14.856 18.163 -7.499 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.129 20.395 -6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.826 20.460 -6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.932 21.570 -8.356 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.384 20.865 -9.037 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.583 19.833 -9.142 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.927 19.467 -10.206 1.00 0.00 H new ATOM 570 N HIS A 37 14.182 18.036 -4.923 1.00 0.00 N ATOM 571 CA HIS A 37 13.791 17.407 -3.631 1.00 0.00 C ATOM 572 C HIS A 37 12.447 17.977 -3.208 1.00 0.00 C ATOM 573 O HIS A 37 11.805 17.490 -2.303 1.00 0.00 O ATOM 574 CB HIS A 37 14.827 17.715 -2.547 1.00 0.00 C ATOM 575 CG HIS A 37 16.163 17.136 -2.936 1.00 0.00 C ATOM 576 ND1 HIS A 37 17.353 17.686 -2.492 1.00 0.00 N ATOM 577 CD2 HIS A 37 16.512 16.041 -3.690 1.00 0.00 C ATOM 578 CE1 HIS A 37 18.354 16.927 -2.973 1.00 0.00 C ATOM 579 NE2 HIS A 37 17.898 15.912 -3.710 1.00 0.00 N ATOM 0 H HIS A 37 15.051 18.570 -4.902 1.00 0.00 H new ATOM 0 HA HIS A 37 13.731 16.326 -3.760 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.914 18.793 -2.410 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.504 17.298 -1.593 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.818 15.382 -4.190 1.00 0.00 H new ATOM 0 HE1 HIS A 37 19.401 17.116 -2.785 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.447 15.196 -4.186 1.00 0.00 H new ATOM 587 N GLU A 38 12.020 19.012 -3.871 1.00 0.00 N ATOM 588 CA GLU A 38 10.719 19.633 -3.525 1.00 0.00 C ATOM 589 C GLU A 38 9.603 18.598 -3.697 1.00 0.00 C ATOM 590 O GLU A 38 8.500 18.778 -3.225 1.00 0.00 O ATOM 591 CB GLU A 38 10.482 20.840 -4.435 1.00 0.00 C ATOM 592 CG GLU A 38 10.124 20.371 -5.849 1.00 0.00 C ATOM 593 CD GLU A 38 10.134 21.566 -6.800 1.00 0.00 C ATOM 594 OE1 GLU A 38 10.305 22.675 -6.319 1.00 0.00 O ATOM 595 OE2 GLU A 38 9.964 21.356 -7.990 1.00 0.00 O ATOM 0 H GLU A 38 12.520 19.455 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 38 10.726 19.970 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.677 21.456 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.376 21.463 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.837 19.619 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.141 19.901 -5.850 1.00 0.00 H new ATOM 602 N GLU A 39 9.875 17.516 -4.380 1.00 0.00 N ATOM 603 CA GLU A 39 8.823 16.497 -4.582 1.00 0.00 C ATOM 604 C GLU A 39 8.521 15.801 -3.258 1.00 0.00 C ATOM 605 O GLU A 39 7.423 15.330 -3.038 1.00 0.00 O ATOM 606 CB GLU A 39 9.333 15.476 -5.600 1.00 0.00 C ATOM 607 CG GLU A 39 10.470 14.644 -4.989 1.00 0.00 C ATOM 608 CD GLU A 39 11.232 13.925 -6.101 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.023 14.262 -7.254 1.00 0.00 O ATOM 610 OE2 GLU A 39 12.012 13.041 -5.782 1.00 0.00 O ATOM 0 H GLU A 39 10.779 17.302 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 39 7.909 16.966 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.518 14.821 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.687 15.988 -6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.147 15.290 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.065 13.918 -4.284 1.00 0.00 H new ATOM 617 N ARG A 40 9.473 15.717 -2.371 1.00 0.00 N ATOM 618 CA ARG A 40 9.192 15.026 -1.082 1.00 0.00 C ATOM 619 C ARG A 40 8.047 15.727 -0.338 1.00 0.00 C ATOM 620 O ARG A 40 7.131 15.087 0.133 1.00 0.00 O ATOM 621 CB ARG A 40 10.452 14.990 -0.196 1.00 0.00 C ATOM 622 CG ARG A 40 10.925 16.425 0.178 1.00 0.00 C ATOM 623 CD ARG A 40 10.597 16.740 1.652 1.00 0.00 C ATOM 624 NE ARG A 40 11.216 18.044 2.039 1.00 0.00 N ATOM 625 CZ ARG A 40 10.836 18.657 3.128 1.00 0.00 C ATOM 626 NH1 ARG A 40 9.893 18.150 3.876 1.00 0.00 N ATOM 627 NH2 ARG A 40 11.409 19.781 3.464 1.00 0.00 N ATOM 0 H ARG A 40 10.417 16.089 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 40 8.894 14.001 -1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.243 14.426 0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.252 14.467 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.999 16.514 0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.440 17.154 -0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.517 16.783 1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.971 15.944 2.296 1.00 0.00 H new ATOM 0 HE ARG A 40 11.939 18.457 1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.449 17.271 3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.600 18.633 4.725 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.146 20.173 2.878 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.119 20.267 4.312 1.00 0.00 H new ATOM 641 N GLN A 41 8.068 17.029 -0.229 1.00 0.00 N ATOM 642 CA GLN A 41 6.952 17.715 0.488 1.00 0.00 C ATOM 643 C GLN A 41 5.725 17.835 -0.410 1.00 0.00 C ATOM 644 O GLN A 41 4.629 17.515 -0.013 1.00 0.00 O ATOM 645 CB GLN A 41 7.416 19.103 0.937 1.00 0.00 C ATOM 646 CG GLN A 41 7.844 19.931 -0.276 1.00 0.00 C ATOM 647 CD GLN A 41 8.649 21.149 0.193 1.00 0.00 C ATOM 648 OE1 GLN A 41 9.467 21.040 1.085 1.00 0.00 O ATOM 649 NE2 GLN A 41 8.454 22.314 -0.368 1.00 0.00 N ATOM 0 H GLN A 41 8.797 17.640 -0.599 1.00 0.00 H new ATOM 0 HA GLN A 41 6.675 17.123 1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.610 19.610 1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.248 19.009 1.635 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.446 19.322 -0.951 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.967 20.255 -0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.769 22.411 -1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.987 23.126 -0.056 1.00 0.00 H new ATOM 658 N THR A 42 5.899 18.302 -1.607 1.00 0.00 N ATOM 659 CA THR A 42 4.733 18.471 -2.521 1.00 0.00 C ATOM 660 C THR A 42 4.047 17.126 -2.763 1.00 0.00 C ATOM 661 O THR A 42 2.835 17.035 -2.778 1.00 0.00 O ATOM 662 CB THR A 42 5.250 19.049 -3.849 1.00 0.00 C ATOM 663 OG1 THR A 42 5.889 20.289 -3.597 1.00 0.00 O ATOM 664 CG2 THR A 42 4.104 19.277 -4.835 1.00 0.00 C ATOM 0 H THR A 42 6.800 18.577 -1.999 1.00 0.00 H new ATOM 0 HA THR A 42 4.002 19.145 -2.074 1.00 0.00 H new ATOM 0 HB THR A 42 5.949 18.336 -4.285 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.841 20.137 -3.420 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.500 19.686 -5.765 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.605 18.329 -5.039 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.389 19.978 -4.406 1.00 0.00 H new ATOM 672 N ARG A 43 4.797 16.077 -2.940 1.00 0.00 N ATOM 673 CA ARG A 43 4.147 14.754 -3.166 1.00 0.00 C ATOM 674 C ARG A 43 3.276 14.387 -1.964 1.00 0.00 C ATOM 675 O ARG A 43 2.207 13.841 -2.097 1.00 0.00 O ATOM 676 CB ARG A 43 5.223 13.682 -3.369 1.00 0.00 C ATOM 677 CG ARG A 43 4.572 12.321 -3.673 1.00 0.00 C ATOM 678 CD ARG A 43 5.660 11.226 -3.780 1.00 0.00 C ATOM 679 NE ARG A 43 5.244 10.018 -2.998 1.00 0.00 N ATOM 680 CZ ARG A 43 4.955 10.076 -1.733 1.00 0.00 C ATOM 681 NH1 ARG A 43 5.125 11.190 -1.075 1.00 0.00 N ATOM 682 NH2 ARG A 43 4.495 9.007 -1.136 1.00 0.00 N ATOM 0 H ARG A 43 5.817 16.074 -2.939 1.00 0.00 H new ATOM 0 HA ARG A 43 3.519 14.812 -4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.881 13.969 -4.189 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.842 13.605 -2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.862 12.064 -2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.009 12.378 -4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.817 10.958 -4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.609 11.606 -3.402 1.00 0.00 H new ATOM 0 HE ARG A 43 5.186 9.119 -3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.485 12.015 -1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.898 11.235 -0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.368 8.143 -1.663 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.264 9.037 -0.143 1.00 0.00 H new ATOM 696 N PHE A 44 3.759 14.645 -0.798 1.00 0.00 N ATOM 697 CA PHE A 44 3.021 14.287 0.437 1.00 0.00 C ATOM 698 C PHE A 44 1.643 14.970 0.518 1.00 0.00 C ATOM 699 O PHE A 44 0.652 14.327 0.781 1.00 0.00 O ATOM 700 CB PHE A 44 3.938 14.671 1.602 1.00 0.00 C ATOM 701 CG PHE A 44 4.912 13.529 1.876 1.00 0.00 C ATOM 702 CD1 PHE A 44 5.693 12.999 0.833 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.053 13.026 3.163 1.00 0.00 C ATOM 704 CE1 PHE A 44 6.590 11.960 1.089 1.00 0.00 C ATOM 705 CE2 PHE A 44 5.956 11.989 3.414 1.00 0.00 C ATOM 706 CZ PHE A 44 6.719 11.452 2.376 1.00 0.00 C ATOM 0 H PHE A 44 4.657 15.101 -0.639 1.00 0.00 H new ATOM 0 HA PHE A 44 2.791 13.222 0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 44 4.486 15.582 1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.345 14.880 2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.599 13.396 -0.167 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.465 13.436 3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 44 7.184 11.551 0.286 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.064 11.601 4.416 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.408 10.644 2.573 1.00 0.00 H new ATOM 716 N GLN A 45 1.553 16.253 0.288 1.00 0.00 N ATOM 717 CA GLN A 45 0.202 16.901 0.361 1.00 0.00 C ATOM 718 C GLN A 45 -0.629 16.514 -0.871 1.00 0.00 C ATOM 719 O GLN A 45 -1.744 16.069 -0.756 1.00 0.00 O ATOM 720 CB GLN A 45 0.305 18.436 0.458 1.00 0.00 C ATOM 721 CG GLN A 45 1.469 18.964 -0.393 1.00 0.00 C ATOM 722 CD GLN A 45 2.711 19.139 0.486 1.00 0.00 C ATOM 723 OE1 GLN A 45 3.551 19.975 0.222 1.00 0.00 O ATOM 724 NE2 GLN A 45 2.859 18.367 1.530 1.00 0.00 N ATOM 0 H GLN A 45 2.332 16.871 0.058 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.288 16.543 1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.629 18.889 0.124 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.448 18.730 1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.682 18.270 -1.206 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.197 19.916 -0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.152 17.665 1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.681 18.466 2.125 1.00 0.00 H new ATOM 733 N ASN A 46 -0.107 16.713 -2.051 1.00 0.00 N ATOM 734 CA ASN A 46 -0.900 16.378 -3.268 1.00 0.00 C ATOM 735 C ASN A 46 -1.221 14.881 -3.331 1.00 0.00 C ATOM 736 O ASN A 46 -2.219 14.478 -3.900 1.00 0.00 O ATOM 737 CB ASN A 46 -0.153 16.828 -4.528 1.00 0.00 C ATOM 738 CG ASN A 46 1.125 16.010 -4.706 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.265 14.948 -4.145 1.00 0.00 O ATOM 740 ND2 ASN A 46 2.079 16.468 -5.470 1.00 0.00 N ATOM 0 H ASN A 46 0.825 17.089 -2.224 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.847 16.914 -3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.794 16.709 -5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.092 17.888 -4.455 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.937 15.931 -5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.966 17.363 -5.946 1.00 0.00 H new ATOM 747 N ALA A 47 -0.397 14.048 -2.758 1.00 0.00 N ATOM 748 CA ALA A 47 -0.684 12.586 -2.815 1.00 0.00 C ATOM 749 C ALA A 47 -1.638 12.222 -1.689 1.00 0.00 C ATOM 750 O ALA A 47 -2.409 11.288 -1.804 1.00 0.00 O ATOM 751 CB ALA A 47 0.610 11.781 -2.662 1.00 0.00 C ATOM 0 H ALA A 47 0.453 14.311 -2.259 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.134 12.350 -3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.383 10.716 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.297 12.039 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.072 12.014 -1.703 1.00 0.00 H new ATOM 757 N CYS A 48 -1.611 12.938 -0.601 1.00 0.00 N ATOM 758 CA CYS A 48 -2.544 12.600 0.498 1.00 0.00 C ATOM 759 C CYS A 48 -3.999 12.912 0.092 1.00 0.00 C ATOM 760 O CYS A 48 -4.895 12.147 0.388 1.00 0.00 O ATOM 761 CB CYS A 48 -2.181 13.388 1.748 1.00 0.00 C ATOM 762 SG CYS A 48 -2.670 15.115 1.547 1.00 0.00 S ATOM 0 H CYS A 48 -0.992 13.730 -0.430 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.460 11.533 0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.679 12.958 2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.108 13.323 1.931 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.359 15.518 0.351 1.00 0.00 H new ATOM 768 N ARG A 49 -4.264 14.008 -0.590 1.00 0.00 N ATOM 769 CA ARG A 49 -5.682 14.271 -0.983 1.00 0.00 C ATOM 770 C ARG A 49 -6.100 13.173 -1.962 1.00 0.00 C ATOM 771 O ARG A 49 -7.117 12.527 -1.792 1.00 0.00 O ATOM 772 CB ARG A 49 -5.816 15.665 -1.619 1.00 0.00 C ATOM 773 CG ARG A 49 -4.579 15.982 -2.453 1.00 0.00 C ATOM 774 CD ARG A 49 -4.820 17.249 -3.276 1.00 0.00 C ATOM 775 NE ARG A 49 -6.055 17.093 -4.092 1.00 0.00 N ATOM 776 CZ ARG A 49 -6.650 18.142 -4.593 1.00 0.00 C ATOM 777 NH1 ARG A 49 -6.159 19.340 -4.400 1.00 0.00 N ATOM 778 NH2 ARG A 49 -7.740 17.989 -5.297 1.00 0.00 N ATOM 0 H ARG A 49 -3.581 14.708 -0.881 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.332 14.257 -0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.707 15.703 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.942 16.418 -0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.715 16.119 -1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.351 15.146 -3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.916 18.110 -2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.966 17.440 -3.925 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.438 16.163 -4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.305 19.460 -3.855 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.630 20.154 -4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.120 17.055 -5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.211 18.803 -5.692 1.00 0.00 H new ATOM 792 N ASP A 50 -5.268 12.903 -2.930 1.00 0.00 N ATOM 793 CA ASP A 50 -5.536 11.779 -3.879 1.00 0.00 C ATOM 794 C ASP A 50 -4.690 10.624 -3.359 1.00 0.00 C ATOM 795 O ASP A 50 -3.585 10.385 -3.804 1.00 0.00 O ATOM 796 CB ASP A 50 -5.131 12.153 -5.316 1.00 0.00 C ATOM 797 CG ASP A 50 -3.955 13.123 -5.296 1.00 0.00 C ATOM 798 OD1 ASP A 50 -4.198 14.317 -5.240 1.00 0.00 O ATOM 799 OD2 ASP A 50 -2.830 12.659 -5.345 1.00 0.00 O ATOM 0 H ASP A 50 -4.405 13.417 -3.108 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.596 11.528 -3.924 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.861 11.255 -5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.977 12.606 -5.834 1.00 0.00 H new ATOM 804 N GLY A 51 -5.205 9.953 -2.366 1.00 0.00 N ATOM 805 CA GLY A 51 -4.471 8.842 -1.709 1.00 0.00 C ATOM 806 C GLY A 51 -4.317 7.661 -2.649 1.00 0.00 C ATOM 807 O GLY A 51 -4.121 6.545 -2.225 1.00 0.00 O ATOM 0 H GLY A 51 -6.129 10.136 -1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.488 9.189 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.004 8.530 -0.811 1.00 0.00 H new ATOM 811 N ARG A 52 -4.361 7.892 -3.928 1.00 0.00 N ATOM 812 CA ARG A 52 -4.165 6.758 -4.874 1.00 0.00 C ATOM 813 C ARG A 52 -2.661 6.630 -5.124 1.00 0.00 C ATOM 814 O ARG A 52 -2.119 7.142 -6.084 1.00 0.00 O ATOM 815 CB ARG A 52 -4.887 7.054 -6.185 1.00 0.00 C ATOM 816 CG ARG A 52 -6.387 7.232 -5.925 1.00 0.00 C ATOM 817 CD ARG A 52 -7.115 7.329 -7.265 1.00 0.00 C ATOM 818 NE ARG A 52 -6.451 8.367 -8.107 1.00 0.00 N ATOM 819 CZ ARG A 52 -6.608 8.368 -9.400 1.00 0.00 C ATOM 820 NH1 ARG A 52 -7.321 7.441 -9.978 1.00 0.00 N ATOM 821 NH2 ARG A 52 -6.040 9.300 -10.119 1.00 0.00 N ATOM 0 H ARG A 52 -4.522 8.803 -4.358 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.567 5.832 -4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.478 7.956 -6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.725 6.240 -6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.772 6.391 -5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.563 8.131 -5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.098 6.365 -7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.162 7.587 -7.106 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.870 9.081 -7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.759 6.710 -9.417 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.441 7.447 -10.991 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.478 10.021 -9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.159 9.306 -11.132 1.00 0.00 H new ATOM 835 N SER A 53 -1.987 5.962 -4.230 1.00 0.00 N ATOM 836 CA SER A 53 -0.509 5.795 -4.357 1.00 0.00 C ATOM 837 C SER A 53 -0.163 4.683 -5.339 1.00 0.00 C ATOM 838 O SER A 53 -0.675 3.584 -5.256 1.00 0.00 O ATOM 839 CB SER A 53 0.061 5.430 -2.994 1.00 0.00 C ATOM 840 OG SER A 53 1.472 5.269 -3.090 1.00 0.00 O ATOM 0 H SER A 53 -2.399 5.520 -3.408 1.00 0.00 H new ATOM 0 HA SER A 53 -0.086 6.730 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.177 6.209 -2.269 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.396 4.508 -2.633 1.00 0.00 H new ATOM 0 HG SER A 53 1.835 5.931 -3.715 1.00 0.00 H new ATOM 846 N GLU A 54 0.765 4.933 -6.220 1.00 0.00 N ATOM 847 CA GLU A 54 1.227 3.867 -7.151 1.00 0.00 C ATOM 848 C GLU A 54 2.637 3.563 -6.681 1.00 0.00 C ATOM 849 O GLU A 54 3.423 4.456 -6.439 1.00 0.00 O ATOM 850 CB GLU A 54 1.191 4.375 -8.602 1.00 0.00 C ATOM 851 CG GLU A 54 -0.254 4.727 -8.979 1.00 0.00 C ATOM 852 CD GLU A 54 -0.297 5.292 -10.403 1.00 0.00 C ATOM 853 OE1 GLU A 54 0.677 5.123 -11.118 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.301 5.897 -10.751 1.00 0.00 O ATOM 0 H GLU A 54 1.226 5.836 -6.335 1.00 0.00 H new ATOM 0 HA GLU A 54 0.599 2.976 -7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.831 5.251 -8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.580 3.612 -9.277 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.884 3.840 -8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.655 5.457 -8.276 1.00 0.00 H new ATOM 861 N ILE A 55 2.953 2.325 -6.478 1.00 0.00 N ATOM 862 CA ILE A 55 4.302 1.998 -5.955 1.00 0.00 C ATOM 863 C ILE A 55 4.695 0.634 -6.445 1.00 0.00 C ATOM 864 O ILE A 55 3.863 -0.164 -6.832 1.00 0.00 O ATOM 865 CB ILE A 55 4.256 2.039 -4.427 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.585 1.553 -3.808 1.00 0.00 C ATOM 867 CG2 ILE A 55 3.099 1.169 -3.907 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.801 2.252 -2.452 1.00 0.00 C ATOM 0 H ILE A 55 2.342 1.527 -6.649 1.00 0.00 H new ATOM 0 HA ILE A 55 5.041 2.719 -6.304 1.00 0.00 H new ATOM 0 HB ILE A 55 4.098 3.076 -4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.563 0.472 -3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.414 1.773 -4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.077 1.206 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.155 1.545 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.244 0.139 -4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.738 1.911 -2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.841 3.331 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.976 2.009 -1.782 1.00 0.00 H new ATOM 880 N ALA A 56 5.961 0.361 -6.454 1.00 0.00 N ATOM 881 CA ALA A 56 6.426 -0.964 -6.952 1.00 0.00 C ATOM 882 C ALA A 56 7.654 -1.422 -6.187 1.00 0.00 C ATOM 883 O ALA A 56 8.293 -0.653 -5.499 1.00 0.00 O ATOM 884 CB ALA A 56 6.800 -0.831 -8.425 1.00 0.00 C ATOM 0 H ALA A 56 6.698 0.993 -6.140 1.00 0.00 H new ATOM 0 HA ALA A 56 5.626 -1.691 -6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.142 -1.795 -8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.928 -0.508 -8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.597 -0.095 -8.533 1.00 0.00 H new ATOM 890 N PHE A 57 8.006 -2.670 -6.338 1.00 0.00 N ATOM 891 CA PHE A 57 9.216 -3.193 -5.660 1.00 0.00 C ATOM 892 C PHE A 57 10.402 -2.902 -6.583 1.00 0.00 C ATOM 893 O PHE A 57 10.358 -3.192 -7.762 1.00 0.00 O ATOM 894 CB PHE A 57 9.091 -4.713 -5.471 1.00 0.00 C ATOM 895 CG PHE A 57 7.964 -5.047 -4.510 1.00 0.00 C ATOM 896 CD1 PHE A 57 8.160 -4.896 -3.127 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.735 -5.528 -4.995 1.00 0.00 C ATOM 898 CE1 PHE A 57 7.130 -5.220 -2.231 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.707 -5.854 -4.096 1.00 0.00 C ATOM 900 CZ PHE A 57 5.902 -5.698 -2.716 1.00 0.00 C ATOM 0 H PHE A 57 7.501 -3.350 -6.906 1.00 0.00 H new ATOM 0 HA PHE A 57 9.344 -2.728 -4.683 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.907 -5.190 -6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.030 -5.115 -5.091 1.00 0.00 H new ATOM 0 HD1 PHE A 57 9.105 -4.530 -2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.582 -5.647 -6.058 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.282 -5.102 -1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.764 -6.226 -4.468 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.108 -5.945 -2.027 1.00 0.00 H new ATOM 910 N VAL A 58 11.460 -2.337 -6.073 1.00 0.00 N ATOM 911 CA VAL A 58 12.616 -2.048 -6.972 1.00 0.00 C ATOM 912 C VAL A 58 13.054 -3.368 -7.605 1.00 0.00 C ATOM 913 O VAL A 58 13.283 -3.450 -8.799 1.00 0.00 O ATOM 914 CB VAL A 58 13.742 -1.433 -6.152 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.970 -1.206 -7.044 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.264 -0.092 -5.580 1.00 0.00 C ATOM 0 H VAL A 58 11.576 -2.067 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 58 12.344 -1.342 -7.757 1.00 0.00 H new ATOM 0 HB VAL A 58 14.015 -2.106 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.773 -0.766 -6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.303 -2.159 -7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.708 -0.531 -7.859 1.00 0.00 H new ATOM 0 HG21 VAL A 58 14.063 0.358 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.995 0.577 -6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.393 -0.257 -4.945 1.00 0.00 H new ATOM 926 N ALA A 59 13.096 -4.421 -6.830 1.00 0.00 N ATOM 927 CA ALA A 59 13.431 -5.753 -7.406 1.00 0.00 C ATOM 928 C ALA A 59 12.237 -6.204 -8.258 1.00 0.00 C ATOM 929 O ALA A 59 11.098 -5.924 -7.931 1.00 0.00 O ATOM 930 CB ALA A 59 13.689 -6.769 -6.281 1.00 0.00 C ATOM 0 H ALA A 59 12.913 -4.414 -5.827 1.00 0.00 H new ATOM 0 HA ALA A 59 14.333 -5.688 -8.014 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.933 -7.739 -6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.521 -6.427 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.796 -6.862 -5.663 1.00 0.00 H new ATOM 936 N THR A 60 12.476 -6.902 -9.334 1.00 0.00 N ATOM 937 CA THR A 60 11.347 -7.376 -10.198 1.00 0.00 C ATOM 938 C THR A 60 10.503 -6.191 -10.708 1.00 0.00 C ATOM 939 O THR A 60 10.365 -5.177 -10.054 1.00 0.00 O ATOM 940 CB THR A 60 10.460 -8.345 -9.398 1.00 0.00 C ATOM 941 OG1 THR A 60 11.285 -9.313 -8.759 1.00 0.00 O ATOM 942 CG2 THR A 60 9.485 -9.049 -10.350 1.00 0.00 C ATOM 0 H THR A 60 13.406 -7.168 -9.657 1.00 0.00 H new ATOM 0 HA THR A 60 11.766 -7.890 -11.063 1.00 0.00 H new ATOM 0 HB THR A 60 9.895 -7.793 -8.647 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.939 -10.211 -8.944 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.856 -9.736 -9.784 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.858 -8.306 -10.844 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.047 -9.606 -11.100 1.00 0.00 H new ATOM 950 N GLY A 61 9.950 -6.326 -11.893 1.00 0.00 N ATOM 951 CA GLY A 61 9.118 -5.229 -12.490 1.00 0.00 C ATOM 952 C GLY A 61 7.705 -5.247 -11.911 1.00 0.00 C ATOM 953 O GLY A 61 6.801 -4.639 -12.449 1.00 0.00 O ATOM 0 H GLY A 61 10.041 -7.157 -12.477 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.585 -4.264 -12.293 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.074 -5.347 -13.573 1.00 0.00 H new ATOM 957 N THR A 62 7.493 -5.942 -10.832 1.00 0.00 N ATOM 958 CA THR A 62 6.117 -5.996 -10.251 1.00 0.00 C ATOM 959 C THR A 62 5.700 -4.617 -9.744 1.00 0.00 C ATOM 960 O THR A 62 6.468 -3.907 -9.129 1.00 0.00 O ATOM 961 CB THR A 62 6.096 -6.990 -9.087 1.00 0.00 C ATOM 962 OG1 THR A 62 6.463 -8.276 -9.567 1.00 0.00 O ATOM 963 CG2 THR A 62 4.697 -7.052 -8.460 1.00 0.00 C ATOM 0 H THR A 62 8.203 -6.472 -10.327 1.00 0.00 H new ATOM 0 HA THR A 62 5.419 -6.315 -11.025 1.00 0.00 H new ATOM 0 HB THR A 62 6.803 -6.663 -8.325 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.905 -8.957 -9.137 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.700 -7.763 -7.634 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.421 -6.065 -8.088 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.975 -7.372 -9.212 1.00 0.00 H new ATOM 971 N ASN A 63 4.474 -4.237 -10.002 1.00 0.00 N ATOM 972 CA ASN A 63 3.976 -2.901 -9.544 1.00 0.00 C ATOM 973 C ASN A 63 2.535 -3.031 -9.029 1.00 0.00 C ATOM 974 O ASN A 63 1.642 -3.394 -9.764 1.00 0.00 O ATOM 975 CB ASN A 63 3.999 -1.922 -10.726 1.00 0.00 C ATOM 976 CG ASN A 63 3.556 -0.541 -10.252 1.00 0.00 C ATOM 977 OD1 ASN A 63 4.303 0.411 -10.333 1.00 0.00 O ATOM 978 ND2 ASN A 63 2.361 -0.398 -9.747 1.00 0.00 N ATOM 0 H ASN A 63 3.792 -4.797 -10.513 1.00 0.00 H new ATOM 0 HA ASN A 63 4.616 -2.534 -8.742 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.002 -1.869 -11.148 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.338 -2.276 -11.518 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.052 0.517 -9.419 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.736 -1.201 -9.681 1.00 0.00 H new ATOM 985 N LEU A 64 2.305 -2.724 -7.768 1.00 0.00 N ATOM 986 CA LEU A 64 0.913 -2.814 -7.193 1.00 0.00 C ATOM 987 C LEU A 64 0.385 -1.395 -6.925 1.00 0.00 C ATOM 988 O LEU A 64 1.064 -0.577 -6.337 1.00 0.00 O ATOM 989 CB LEU A 64 0.947 -3.579 -5.848 1.00 0.00 C ATOM 990 CG LEU A 64 0.905 -5.106 -6.066 1.00 0.00 C ATOM 991 CD1 LEU A 64 2.221 -5.585 -6.662 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.680 -5.810 -4.718 1.00 0.00 C ATOM 0 H LEU A 64 3.021 -2.415 -7.110 1.00 0.00 H new ATOM 0 HA LEU A 64 0.270 -3.336 -7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.851 -3.313 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.100 -3.275 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 64 0.091 -5.343 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.181 -6.664 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.388 -5.091 -7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.038 -5.343 -5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.650 -6.889 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.495 -5.563 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.265 -5.479 -4.288 1.00 0.00 H new ATOM 1004 N SER A 65 -0.833 -1.117 -7.318 1.00 0.00 N ATOM 1005 CA SER A 65 -1.436 0.226 -7.056 1.00 0.00 C ATOM 1006 C SER A 65 -2.516 0.051 -5.986 1.00 0.00 C ATOM 1007 O SER A 65 -3.228 -0.935 -5.981 1.00 0.00 O ATOM 1008 CB SER A 65 -2.070 0.764 -8.336 1.00 0.00 C ATOM 1009 OG SER A 65 -3.218 -0.019 -8.648 1.00 0.00 O ATOM 0 H SER A 65 -1.441 -1.769 -7.814 1.00 0.00 H new ATOM 0 HA SER A 65 -0.672 0.928 -6.721 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.351 1.809 -8.207 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.353 0.725 -9.156 1.00 0.00 H new ATOM 0 HG SER A 65 -3.633 0.321 -9.468 1.00 0.00 H new ATOM 1015 N LEU A 66 -2.648 0.983 -5.075 1.00 0.00 N ATOM 1016 CA LEU A 66 -3.689 0.839 -4.009 1.00 0.00 C ATOM 1017 C LEU A 66 -4.254 2.208 -3.610 1.00 0.00 C ATOM 1018 O LEU A 66 -3.732 3.250 -3.979 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.101 0.131 -2.786 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.858 0.863 -2.276 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.447 0.249 -0.934 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.697 0.758 -3.289 1.00 0.00 C ATOM 0 H LEU A 66 -2.085 1.832 -5.022 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.505 0.235 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.849 0.082 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.843 -0.896 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.090 1.921 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.561 0.760 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.262 0.359 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.225 -0.809 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.173 1.287 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.444 -0.291 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.000 1.204 -4.237 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.344 2.211 -2.871 1.00 0.00 N ATOM 1035 CA GLN A 67 -5.983 3.502 -2.467 1.00 0.00 C ATOM 1036 C GLN A 67 -6.443 3.394 -1.008 1.00 0.00 C ATOM 1037 O GLN A 67 -7.274 2.576 -0.668 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.212 3.738 -3.363 1.00 0.00 C ATOM 1039 CG GLN A 67 -6.826 3.545 -4.834 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.032 3.825 -5.727 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -9.157 3.843 -5.264 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -7.852 4.026 -7.008 1.00 0.00 N ATOM 0 H GLN A 67 -5.816 1.372 -2.532 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.275 4.324 -2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.009 3.045 -3.093 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.599 4.745 -3.208 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.006 4.214 -5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.471 2.527 -4.996 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.910 4.012 -7.399 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.654 4.197 -7.615 1.00 0.00 H new ATOM 1051 N PHE A 68 -5.907 4.215 -0.146 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.305 4.174 1.296 1.00 0.00 C ATOM 1053 C PHE A 68 -7.499 5.107 1.537 1.00 0.00 C ATOM 1054 O PHE A 68 -8.609 4.669 1.755 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.110 4.589 2.184 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.198 5.498 1.408 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.391 4.968 0.399 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.147 6.862 1.709 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.534 5.801 -0.314 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.285 7.698 1.001 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.476 7.167 -0.016 1.00 0.00 C ATOM 0 H PHE A 68 -5.205 4.918 -0.378 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.599 3.157 1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.468 5.095 3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.564 3.705 2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.432 3.913 0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.774 7.268 2.489 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.913 5.393 -1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.240 8.752 1.234 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.809 7.813 -0.568 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.271 6.400 1.525 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.387 7.368 1.776 1.00 0.00 C ATOM 1073 C PHE A 69 -8.197 8.636 0.935 1.00 0.00 C ATOM 1074 O PHE A 69 -7.733 9.647 1.428 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.377 7.748 3.260 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.498 8.724 3.556 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.832 8.336 3.371 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.207 10.018 4.022 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.872 9.228 3.649 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.253 10.913 4.299 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.587 10.517 4.112 1.00 0.00 C ATOM 0 H PHE A 69 -6.361 6.826 1.352 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.334 6.904 1.502 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.492 6.854 3.873 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.418 8.194 3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.058 7.343 3.012 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.181 10.323 4.167 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.898 8.921 3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.031 11.908 4.656 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.391 11.206 4.325 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.565 8.595 -0.321 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.447 9.757 -1.244 1.00 0.00 C ATOM 1093 C PRO A 70 -9.703 10.635 -1.193 1.00 0.00 C ATOM 1094 O PRO A 70 -10.798 10.141 -1.010 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.304 9.079 -2.599 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.177 7.863 -2.492 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.139 7.427 -1.012 1.00 0.00 C ATOM 0 HA PRO A 70 -7.622 10.427 -1.001 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.628 9.733 -3.408 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.268 8.809 -2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.197 8.089 -2.804 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.814 7.066 -3.141 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.135 7.190 -0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.526 6.537 -0.872 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.574 11.927 -1.340 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.802 12.774 -1.266 1.00 0.00 C ATOM 1107 C ALA A 71 -11.808 12.325 -2.338 1.00 0.00 C ATOM 1108 O ALA A 71 -12.956 12.052 -2.045 1.00 0.00 O ATOM 1109 CB ALA A 71 -10.425 14.242 -1.481 1.00 0.00 C ATOM 0 H ALA A 71 -8.698 12.423 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.260 12.663 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.322 14.860 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.722 14.554 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.962 14.359 -2.461 1.00 0.00 H new ATOM 1115 N SER A 72 -11.372 12.217 -3.570 1.00 0.00 N ATOM 1116 CA SER A 72 -12.281 11.759 -4.666 1.00 0.00 C ATOM 1117 C SER A 72 -11.481 11.671 -5.961 1.00 0.00 C ATOM 1118 O SER A 72 -10.563 12.436 -6.176 1.00 0.00 O ATOM 1119 CB SER A 72 -13.427 12.748 -4.867 1.00 0.00 C ATOM 1120 OG SER A 72 -14.399 12.149 -5.708 1.00 0.00 O ATOM 0 H SER A 72 -10.419 12.428 -3.864 1.00 0.00 H new ATOM 0 HA SER A 72 -12.695 10.787 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.870 13.014 -3.907 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.057 13.670 -5.314 1.00 0.00 H new ATOM 0 HG SER A 72 -15.142 12.773 -5.845 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.537 18.115 2.808 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.785 16.844 2.624 1.00 0.00 C ATOM 1263 C PRO A 81 -6.391 15.704 3.428 1.00 0.00 C ATOM 1264 O PRO A 81 -7.415 15.847 4.064 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.378 17.174 3.135 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.581 18.276 4.122 1.00 0.00 C ATOM 1267 CD PRO A 81 -5.757 19.100 3.594 1.00 0.00 C ATOM 0 HA PRO A 81 -5.800 16.508 1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.912 16.306 3.601 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.724 17.487 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.797 17.878 5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.684 18.889 4.213 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.347 19.525 4.406 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.420 19.932 2.976 1.00 0.00 H new ATOM 1275 N SER A 82 -5.751 14.577 3.417 1.00 0.00 N ATOM 1276 CA SER A 82 -6.262 13.418 4.195 1.00 0.00 C ATOM 1277 C SER A 82 -5.705 13.511 5.606 1.00 0.00 C ATOM 1278 O SER A 82 -4.527 13.322 5.830 1.00 0.00 O ATOM 1279 CB SER A 82 -5.804 12.107 3.551 1.00 0.00 C ATOM 1280 OG SER A 82 -5.922 11.041 4.488 1.00 0.00 O ATOM 0 H SER A 82 -4.889 14.404 2.900 1.00 0.00 H new ATOM 0 HA SER A 82 -7.352 13.435 4.212 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.407 11.895 2.668 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.770 12.197 3.217 1.00 0.00 H new ATOM 0 HG SER A 82 -5.629 10.204 4.070 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.552 13.794 6.558 1.00 0.00 N ATOM 1287 CA ARG A 83 -6.095 13.905 7.968 1.00 0.00 C ATOM 1288 C ARG A 83 -5.395 12.617 8.355 1.00 0.00 C ATOM 1289 O ARG A 83 -4.454 12.615 9.125 1.00 0.00 O ATOM 1290 CB ARG A 83 -7.314 14.113 8.862 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.871 14.322 10.317 1.00 0.00 C ATOM 1292 CD ARG A 83 -8.109 14.445 11.203 1.00 0.00 C ATOM 1293 NE ARG A 83 -7.723 14.915 12.575 1.00 0.00 N ATOM 1294 CZ ARG A 83 -6.842 14.295 13.312 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -6.365 13.132 12.971 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -6.480 14.832 14.439 1.00 0.00 N ATOM 0 H ARG A 83 -7.549 13.954 6.415 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.409 14.744 8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.883 14.977 8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.975 13.249 8.795 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.254 13.486 10.646 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.259 15.220 10.399 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.816 15.145 10.757 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.614 13.481 11.270 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.168 15.754 12.947 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.679 12.684 12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.677 12.669 13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.883 15.722 14.733 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.793 14.364 15.030 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.856 11.525 7.827 1.00 0.00 N ATOM 1311 CA GLU A 84 -5.236 10.221 8.158 1.00 0.00 C ATOM 1312 C GLU A 84 -3.747 10.244 7.775 1.00 0.00 C ATOM 1313 O GLU A 84 -2.918 9.627 8.409 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.951 9.115 7.375 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.427 9.078 7.759 1.00 0.00 C ATOM 1316 CD GLU A 84 -8.114 7.942 7.000 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.405 7.098 6.473 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -9.332 7.926 6.965 1.00 0.00 O ATOM 0 H GLU A 84 -6.640 11.480 7.176 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.326 10.032 9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.849 9.291 6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.487 8.151 7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.532 8.930 8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.901 10.030 7.521 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.404 10.939 6.729 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.978 10.983 6.295 1.00 0.00 C ATOM 1327 C TYR A 85 -1.113 11.677 7.363 1.00 0.00 C ATOM 1328 O TYR A 85 -0.032 11.216 7.675 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.928 11.679 4.905 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.971 12.858 4.826 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.413 12.668 4.967 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.478 14.143 4.555 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.285 13.768 4.839 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.613 15.231 4.435 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.765 15.046 4.573 1.00 0.00 C ATOM 1336 OH TYR A 85 1.612 16.133 4.445 1.00 0.00 O ATOM 0 H TYR A 85 -4.049 11.480 6.153 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.560 9.982 6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.641 10.943 4.154 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.930 12.022 4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.807 11.684 5.173 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.542 14.287 4.439 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.351 13.629 4.945 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.008 16.216 4.235 1.00 0.00 H new ATOM 0 HH TYR A 85 1.085 16.938 4.261 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.574 12.745 7.958 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.753 13.409 9.008 1.00 0.00 C ATOM 1348 C VAL A 86 -1.094 12.817 10.363 1.00 0.00 C ATOM 1349 O VAL A 86 -0.803 13.391 11.385 1.00 0.00 O ATOM 1350 CB VAL A 86 -1.002 14.919 9.002 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.145 15.646 9.726 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -1.068 15.405 7.551 1.00 0.00 C ATOM 0 H VAL A 86 -2.475 13.182 7.764 1.00 0.00 H new ATOM 0 HA VAL A 86 0.304 13.239 8.801 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.940 15.133 9.515 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.041 16.720 9.716 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.204 15.297 10.757 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.086 15.437 9.218 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.245 16.480 7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.125 15.185 7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.881 14.896 7.033 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.687 11.650 10.386 1.00 0.00 N ATOM 1363 CA ASP A 87 -2.003 11.008 11.699 1.00 0.00 C ATOM 1364 C ASP A 87 -0.881 9.993 11.975 1.00 0.00 C ATOM 1365 O ASP A 87 -0.732 9.490 13.071 1.00 0.00 O ATOM 1366 CB ASP A 87 -3.398 10.330 11.635 1.00 0.00 C ATOM 1367 CG ASP A 87 -3.320 8.862 11.199 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.743 8.075 11.928 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -3.869 8.537 10.160 1.00 0.00 O ATOM 0 H ASP A 87 -1.964 11.118 9.561 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.049 11.737 12.508 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.872 10.390 12.615 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.033 10.879 10.939 1.00 0.00 H new ATOM 1374 N LEU A 88 -0.073 9.728 10.969 1.00 0.00 N ATOM 1375 CA LEU A 88 1.075 8.779 11.115 1.00 0.00 C ATOM 1376 C LEU A 88 2.352 9.504 10.708 1.00 0.00 C ATOM 1377 O LEU A 88 3.445 8.981 10.823 1.00 0.00 O ATOM 1378 CB LEU A 88 0.853 7.519 10.246 1.00 0.00 C ATOM 1379 CG LEU A 88 0.019 7.847 8.985 1.00 0.00 C ATOM 1380 CD1 LEU A 88 0.903 8.493 7.925 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.558 6.548 8.406 1.00 0.00 C ATOM 0 H LEU A 88 -0.166 10.138 10.040 1.00 0.00 H new ATOM 0 HA LEU A 88 1.156 8.449 12.151 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.817 7.104 9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.344 6.755 10.833 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.783 8.531 9.263 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.306 8.720 7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.331 9.414 8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.706 7.808 7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.146 6.776 7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.257 5.875 8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.195 6.069 9.150 1.00 0.00 H new ATOM 1393 N GLU A 89 2.227 10.721 10.261 1.00 0.00 N ATOM 1394 CA GLU A 89 3.439 11.486 9.890 1.00 0.00 C ATOM 1395 C GLU A 89 3.994 12.091 11.178 1.00 0.00 C ATOM 1396 O GLU A 89 5.181 12.312 11.325 1.00 0.00 O ATOM 1397 CB GLU A 89 3.055 12.610 8.932 1.00 0.00 C ATOM 1398 CG GLU A 89 4.315 13.253 8.360 1.00 0.00 C ATOM 1399 CD GLU A 89 3.913 14.381 7.409 1.00 0.00 C ATOM 1400 OE1 GLU A 89 2.726 14.628 7.285 1.00 0.00 O ATOM 1401 OE2 GLU A 89 4.798 14.980 6.824 1.00 0.00 O ATOM 0 H GLU A 89 1.342 11.213 10.138 1.00 0.00 H new ATOM 0 HA GLU A 89 4.175 10.845 9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.437 12.217 8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.459 13.358 9.454 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.937 13.644 9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.910 12.509 7.831 1.00 0.00 H new ATOM 1408 N ARG A 90 3.124 12.342 12.118 1.00 0.00 N ATOM 1409 CA ARG A 90 3.559 12.922 13.414 1.00 0.00 C ATOM 1410 C ARG A 90 4.428 11.931 14.164 1.00 0.00 C ATOM 1411 O ARG A 90 5.167 12.291 15.058 1.00 0.00 O ATOM 1412 CB ARG A 90 2.342 13.258 14.270 1.00 0.00 C ATOM 1413 CG ARG A 90 1.492 14.313 13.560 1.00 0.00 C ATOM 1414 CD ARG A 90 0.376 14.760 14.496 1.00 0.00 C ATOM 1415 NE ARG A 90 -0.605 15.607 13.746 1.00 0.00 N ATOM 1416 CZ ARG A 90 -1.775 15.881 14.269 1.00 0.00 C ATOM 1417 NH1 ARG A 90 -2.094 15.429 15.450 1.00 0.00 N ATOM 1418 NH2 ARG A 90 -2.636 16.608 13.610 1.00 0.00 N ATOM 0 H ARG A 90 2.122 12.167 12.040 1.00 0.00 H new ATOM 0 HA ARG A 90 4.129 13.829 13.213 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.751 12.360 14.448 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.661 13.628 15.244 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.109 15.165 13.276 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.072 13.903 12.642 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.128 13.890 14.918 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.793 15.323 15.331 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.362 15.972 12.825 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.431 14.858 15.974 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.007 15.647 15.850 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.399 16.965 12.684 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.546 16.819 14.021 1.00 0.00 H new ATOM 1432 N GLU A 91 4.314 10.683 13.842 1.00 0.00 N ATOM 1433 CA GLU A 91 5.094 9.663 14.580 1.00 0.00 C ATOM 1434 C GLU A 91 6.585 9.780 14.252 1.00 0.00 C ATOM 1435 O GLU A 91 7.189 10.818 14.431 1.00 0.00 O ATOM 1436 CB GLU A 91 4.574 8.271 14.192 1.00 0.00 C ATOM 1437 CG GLU A 91 5.033 7.243 15.234 1.00 0.00 C ATOM 1438 CD GLU A 91 4.187 7.388 16.503 1.00 0.00 C ATOM 1439 OE1 GLU A 91 2.975 7.299 16.398 1.00 0.00 O ATOM 1440 OE2 GLU A 91 4.768 7.584 17.558 1.00 0.00 O ATOM 0 H GLU A 91 3.715 10.323 13.100 1.00 0.00 H new ATOM 0 HA GLU A 91 4.973 9.820 15.652 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.486 8.282 14.131 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.945 7.995 13.205 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.935 6.234 14.833 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.087 7.392 15.468 1.00 0.00 H new ATOM 1447 N ALA A 92 7.188 8.720 13.808 1.00 0.00 N ATOM 1448 CA ALA A 92 8.651 8.746 13.507 1.00 0.00 C ATOM 1449 C ALA A 92 8.993 9.815 12.466 1.00 0.00 C ATOM 1450 O ALA A 92 10.149 10.025 12.157 1.00 0.00 O ATOM 1451 CB ALA A 92 9.071 7.382 12.954 1.00 0.00 C ATOM 0 H ALA A 92 6.730 7.825 13.637 1.00 0.00 H new ATOM 0 HA ALA A 92 9.181 8.977 14.431 1.00 0.00 H new ATOM 0 HB1 ALA A 92 10.138 7.392 12.732 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.862 6.609 13.694 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.512 7.171 12.042 1.00 0.00 H new ATOM 1457 N GLY A 93 8.016 10.463 11.893 1.00 0.00 N ATOM 1458 CA GLY A 93 8.319 11.474 10.835 1.00 0.00 C ATOM 1459 C GLY A 93 8.341 10.741 9.501 1.00 0.00 C ATOM 1460 O GLY A 93 9.056 11.101 8.589 1.00 0.00 O ATOM 0 H GLY A 93 7.027 10.339 12.108 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.565 12.261 10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.279 11.954 11.026 1.00 0.00 H new ATOM 1464 N LYS A 94 7.556 9.694 9.399 1.00 0.00 N ATOM 1465 CA LYS A 94 7.503 8.899 8.139 1.00 0.00 C ATOM 1466 C LYS A 94 6.038 8.756 7.739 1.00 0.00 C ATOM 1467 O LYS A 94 5.151 8.824 8.569 1.00 0.00 O ATOM 1468 CB LYS A 94 8.052 7.492 8.395 1.00 0.00 C ATOM 1469 CG LYS A 94 9.398 7.582 9.105 1.00 0.00 C ATOM 1470 CD LYS A 94 9.951 6.173 9.346 1.00 0.00 C ATOM 1471 CE LYS A 94 10.328 5.494 8.012 1.00 0.00 C ATOM 1472 NZ LYS A 94 9.155 4.770 7.436 1.00 0.00 N ATOM 0 H LYS A 94 6.946 9.357 10.144 1.00 0.00 H new ATOM 0 HA LYS A 94 8.088 9.394 7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.348 6.922 9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.164 6.958 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.099 8.160 8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.285 8.106 10.054 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.828 6.227 9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.208 5.571 9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.682 6.244 7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.149 4.795 8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.451 3.824 7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.414 4.679 8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.782 5.303 6.624 1.00 0.00 H new ATOM 1486 N VAL A 95 5.778 8.525 6.480 1.00 0.00 N ATOM 1487 CA VAL A 95 4.369 8.336 6.014 1.00 0.00 C ATOM 1488 C VAL A 95 4.238 6.936 5.434 1.00 0.00 C ATOM 1489 O VAL A 95 5.012 6.534 4.590 1.00 0.00 O ATOM 1490 CB VAL A 95 4.037 9.369 4.927 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.737 8.981 4.197 1.00 0.00 C ATOM 1492 CG2 VAL A 95 3.847 10.732 5.587 1.00 0.00 C ATOM 0 H VAL A 95 6.485 8.458 5.748 1.00 0.00 H new ATOM 0 HA VAL A 95 3.682 8.467 6.850 1.00 0.00 H new ATOM 0 HB VAL A 95 4.852 9.403 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.515 9.723 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.859 8.003 3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.916 8.942 4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.611 11.475 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.030 10.677 6.307 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.765 11.018 6.101 1.00 0.00 H new ATOM 1502 N TYR A 96 3.244 6.198 5.852 1.00 0.00 N ATOM 1503 CA TYR A 96 3.049 4.834 5.286 1.00 0.00 C ATOM 1504 C TYR A 96 1.570 4.548 5.134 1.00 0.00 C ATOM 1505 O TYR A 96 0.730 5.217 5.700 1.00 0.00 O ATOM 1506 CB TYR A 96 3.732 3.793 6.155 1.00 0.00 C ATOM 1507 CG TYR A 96 3.118 3.697 7.520 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.449 4.652 8.476 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.275 2.626 7.847 1.00 0.00 C ATOM 1510 CE1 TYR A 96 2.932 4.555 9.764 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.761 2.518 9.140 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.087 3.485 10.103 1.00 0.00 C ATOM 1513 OH TYR A 96 1.584 3.383 11.385 1.00 0.00 O ATOM 0 H TYR A 96 2.563 6.480 6.557 1.00 0.00 H new ATOM 0 HA TYR A 96 3.508 4.786 4.299 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.676 2.821 5.665 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.789 4.041 6.251 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.107 5.469 8.218 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.024 1.887 7.101 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.180 5.302 10.503 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.114 1.693 9.399 1.00 0.00 H new ATOM 0 HH TYR A 96 1.017 2.587 11.451 1.00 0.00 H new ATOM 1523 N LEU A 97 1.253 3.572 4.332 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.170 3.224 4.078 1.00 0.00 C ATOM 1525 C LEU A 97 -0.370 1.709 4.233 1.00 0.00 C ATOM 1526 O LEU A 97 0.388 0.898 3.709 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.551 3.679 2.642 1.00 0.00 C ATOM 1528 CG LEU A 97 0.707 3.683 1.727 1.00 0.00 C ATOM 1529 CD1 LEU A 97 0.315 3.402 0.274 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.414 5.058 1.790 1.00 0.00 C ATOM 0 H LEU A 97 1.930 2.993 3.835 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.812 3.731 4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.307 3.011 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.990 4.676 2.673 1.00 0.00 H new ATOM 0 HG LEU A 97 1.381 2.904 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.208 3.409 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.166 2.426 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.376 4.171 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.292 5.045 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.728 5.836 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.720 5.263 2.816 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.403 1.346 4.950 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.746 -0.078 5.191 1.00 0.00 C ATOM 1544 C LYS A 98 -3.070 -0.362 4.481 1.00 0.00 C ATOM 1545 O LYS A 98 -4.019 0.391 4.608 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.899 -0.273 6.704 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.266 -1.727 7.007 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.432 -1.939 8.517 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.917 -3.371 8.774 1.00 0.00 C ATOM 1550 NZ LYS A 98 -4.321 -3.518 8.306 1.00 0.00 N ATOM 0 H LYS A 98 -2.042 2.007 5.392 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.978 -0.754 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.969 -0.011 7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.670 0.394 7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.191 -1.989 6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.491 -2.391 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.484 -1.766 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.147 -1.222 8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.274 -4.081 8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.852 -3.602 9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.756 -4.342 8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.859 -2.661 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.331 -3.654 7.275 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.162 -1.421 3.713 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.457 -1.680 3.006 1.00 0.00 C ATOM 1566 C ALA A 99 -4.620 -3.172 2.655 1.00 0.00 C ATOM 1567 O ALA A 99 -3.713 -3.772 2.113 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.479 -0.862 1.710 1.00 0.00 C ATOM 0 H ALA A 99 -2.420 -2.101 3.547 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.275 -1.393 3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.417 -1.040 1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.392 0.198 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.644 -1.162 1.076 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.779 -3.764 2.908 1.00 0.00 N ATOM 1575 CA PRO A 100 -6.062 -5.188 2.547 1.00 0.00 C ATOM 1576 C PRO A 100 -6.571 -5.316 1.106 1.00 0.00 C ATOM 1577 O PRO A 100 -7.723 -5.050 0.822 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.173 -5.564 3.522 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.969 -4.303 3.648 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.949 -3.159 3.578 1.00 0.00 C ATOM 0 HA PRO A 100 -5.176 -5.820 2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.780 -6.385 3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.772 -5.883 4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.704 -4.222 2.847 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.519 -4.280 4.589 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.338 -2.311 3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.694 -2.790 4.572 1.00 0.00 H new ATOM 1588 N MET A 101 -5.722 -5.706 0.196 1.00 0.00 N ATOM 1589 CA MET A 101 -6.146 -5.834 -1.236 1.00 0.00 C ATOM 1590 C MET A 101 -6.452 -7.308 -1.589 1.00 0.00 C ATOM 1591 O MET A 101 -5.690 -8.194 -1.271 1.00 0.00 O ATOM 1592 CB MET A 101 -4.993 -5.340 -2.119 1.00 0.00 C ATOM 1593 CG MET A 101 -5.453 -5.274 -3.581 1.00 0.00 C ATOM 1594 SD MET A 101 -6.650 -3.925 -3.785 1.00 0.00 S ATOM 1595 CE MET A 101 -5.493 -2.526 -3.760 1.00 0.00 C ATOM 0 H MET A 101 -4.747 -5.944 0.379 1.00 0.00 H new ATOM 0 HA MET A 101 -7.049 -5.245 -1.399 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.664 -4.356 -1.787 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.138 -6.010 -2.026 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.596 -5.115 -4.235 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.905 -6.222 -3.873 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.752 -1.854 -2.942 1.00 0.00 H new ATOM 0 HE2 MET A 101 -4.478 -2.896 -3.618 1.00 0.00 H new ATOM 0 HE3 MET A 101 -5.554 -1.986 -4.705 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.550 -7.575 -2.278 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.861 -8.992 -2.687 1.00 0.00 C ATOM 1607 C ILE A 102 -7.367 -9.254 -4.114 1.00 0.00 C ATOM 1608 O ILE A 102 -7.612 -8.496 -5.034 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.376 -9.316 -2.550 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -10.239 -8.073 -2.838 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.682 -9.837 -1.129 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.723 -8.407 -2.616 1.00 0.00 C ATOM 0 H ILE A 102 -8.236 -6.879 -2.571 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.331 -9.659 -2.007 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.621 -10.085 -3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.940 -7.252 -2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -10.081 -7.739 -3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.745 -10.061 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.105 -10.742 -0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.412 -9.076 -0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.329 -7.525 -2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -12.019 -9.214 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.875 -8.720 -1.583 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.679 -10.357 -4.288 1.00 0.00 N ATOM 1625 CA LEU A 103 -6.157 -10.753 -5.626 1.00 0.00 C ATOM 1626 C LEU A 103 -6.962 -11.974 -6.064 1.00 0.00 C ATOM 1627 O LEU A 103 -7.847 -12.401 -5.352 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.666 -11.112 -5.526 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.899 -9.979 -4.823 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -2.397 -10.269 -4.827 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -4.159 -8.641 -5.533 1.00 0.00 C ATOM 0 H LEU A 103 -6.455 -11.011 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.255 -9.938 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.544 -12.043 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.255 -11.277 -6.522 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.250 -9.917 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.869 -9.458 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.206 -11.205 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.045 -10.351 -5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.611 -7.847 -5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.826 -8.708 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.226 -8.418 -5.509 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.698 -12.526 -7.219 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.487 -13.710 -7.667 1.00 0.00 C ATOM 1645 C ASN A 104 -7.231 -14.863 -6.696 1.00 0.00 C ATOM 1646 O ASN A 104 -6.694 -15.898 -7.045 1.00 0.00 O ATOM 1647 CB ASN A 104 -7.048 -14.108 -9.081 1.00 0.00 C ATOM 1648 CG ASN A 104 -8.044 -15.116 -9.661 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -9.239 -14.910 -9.580 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -7.612 -16.205 -10.246 1.00 0.00 N ATOM 0 H ASN A 104 -5.976 -12.211 -7.867 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.551 -13.472 -7.681 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.995 -13.225 -9.719 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.049 -14.543 -9.054 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.277 -16.875 -10.631 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.610 -16.383 -10.317 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.625 -14.675 -5.467 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.433 -15.718 -4.431 1.00 0.00 C ATOM 1659 C GLY A 105 -8.091 -15.250 -3.125 1.00 0.00 C ATOM 1660 O GLY A 105 -9.247 -15.515 -2.864 1.00 0.00 O ATOM 0 H GLY A 105 -8.080 -13.825 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.873 -16.660 -4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.370 -15.901 -4.273 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.355 -14.545 -2.306 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.920 -14.039 -1.011 1.00 0.00 C ATOM 1666 C VAL A 106 -7.230 -12.707 -0.643 1.00 0.00 C ATOM 1667 O VAL A 106 -6.439 -12.188 -1.405 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.719 -15.085 0.114 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.923 -15.064 1.062 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.588 -16.499 -0.476 1.00 0.00 C ATOM 0 H VAL A 106 -6.381 -14.295 -2.476 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.991 -13.870 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.807 -14.832 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.777 -15.801 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.020 -14.073 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.829 -15.303 0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.448 -17.218 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.493 -16.747 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.730 -16.535 -1.148 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.541 -12.132 0.495 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.909 -10.830 0.855 1.00 0.00 C ATOM 1682 C CYS A 107 -5.447 -11.021 1.243 1.00 0.00 C ATOM 1683 O CYS A 107 -5.075 -11.965 1.914 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.670 -10.161 2.007 1.00 0.00 C ATOM 1685 SG CYS A 107 -8.129 -11.396 3.233 1.00 0.00 S ATOM 0 H CYS A 107 -8.198 -12.505 1.181 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.954 -10.184 -0.022 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.049 -9.392 2.467 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.562 -9.665 1.626 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.262 -11.066 3.778 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.635 -10.084 0.832 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.185 -10.090 1.147 1.00 0.00 C ATOM 1693 C VAL A 108 -2.911 -8.721 1.783 1.00 0.00 C ATOM 1694 O VAL A 108 -3.538 -7.742 1.434 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.376 -10.303 -0.152 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.467 -9.064 -1.056 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.910 -10.594 0.208 1.00 0.00 C ATOM 0 H VAL A 108 -4.934 -9.287 0.270 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.894 -10.894 1.823 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.792 -11.150 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.891 -9.234 -1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.509 -8.879 -1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.066 -8.199 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.334 -10.745 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.497 -9.751 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.858 -11.493 0.823 1.00 0.00 H new ATOM 1707 N ILE A 109 -2.054 -8.650 2.768 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.838 -7.344 3.480 1.00 0.00 C ATOM 1709 C ILE A 109 -0.652 -6.576 2.913 1.00 0.00 C ATOM 1710 O ILE A 109 0.474 -7.023 2.949 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.596 -7.647 4.967 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.723 -6.366 5.809 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.202 -8.257 5.172 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.825 -6.731 7.302 1.00 0.00 C ATOM 0 H ILE A 109 -1.495 -9.431 3.112 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.721 -6.719 3.345 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.351 -8.363 5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.860 -5.722 5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.605 -5.804 5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.048 -8.465 6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.124 -9.184 4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.557 -7.555 4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -1.915 -5.820 7.894 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.702 -7.357 7.464 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.930 -7.274 7.606 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.909 -5.395 2.415 1.00 0.00 N ATOM 1727 CA TRP A 110 0.171 -4.544 1.861 1.00 0.00 C ATOM 1728 C TRP A 110 0.355 -3.352 2.800 1.00 0.00 C ATOM 1729 O TRP A 110 -0.563 -2.590 3.044 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.244 -4.067 0.470 1.00 0.00 C ATOM 1731 CG TRP A 110 0.958 -3.566 -0.269 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.701 -4.300 -1.135 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.579 -2.250 -0.212 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.724 -3.507 -1.624 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.691 -2.240 -1.085 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.285 -1.075 0.496 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.482 -1.103 -1.250 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 2.084 0.070 0.335 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.177 0.056 -0.537 1.00 0.00 C ATOM 0 H TRP A 110 -1.841 -4.982 2.371 1.00 0.00 H new ATOM 0 HA TRP A 110 1.108 -5.095 1.778 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.708 -4.884 -0.082 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.988 -3.275 0.553 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.523 -5.332 -1.399 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.418 -3.822 -2.301 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.440 -1.050 1.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.325 -1.120 -1.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.852 0.968 0.889 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.784 0.941 -0.658 1.00 0.00 H new ATOM 1750 N LYS A 111 1.534 -3.187 3.330 1.00 0.00 N ATOM 1751 CA LYS A 111 1.802 -2.057 4.268 1.00 0.00 C ATOM 1752 C LYS A 111 3.193 -1.504 4.011 1.00 0.00 C ATOM 1753 O LYS A 111 4.095 -1.618 4.817 1.00 0.00 O ATOM 1754 CB LYS A 111 1.686 -2.545 5.708 1.00 0.00 C ATOM 1755 CG LYS A 111 2.486 -3.836 5.889 1.00 0.00 C ATOM 1756 CD LYS A 111 2.305 -4.328 7.324 1.00 0.00 C ATOM 1757 CE LYS A 111 3.364 -5.377 7.640 1.00 0.00 C ATOM 1758 NZ LYS A 111 4.706 -4.734 7.583 1.00 0.00 N ATOM 0 H LYS A 111 2.335 -3.794 3.152 1.00 0.00 H new ATOM 0 HA LYS A 111 1.070 -1.266 4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.055 -1.780 6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.639 -2.718 5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.145 -4.594 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.541 -3.659 5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.387 -3.492 8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.309 -4.752 7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.191 -5.803 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.308 -6.198 6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 5.345 -5.204 8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 5.092 -4.820 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 4.620 -3.728 7.833 1.00 0.00 H new ATOM 1772 N GLY A 112 3.365 -0.892 2.888 1.00 0.00 N ATOM 1773 CA GLY A 112 4.687 -0.309 2.560 1.00 0.00 C ATOM 1774 C GLY A 112 4.868 0.972 3.347 1.00 0.00 C ATOM 1775 O GLY A 112 3.906 1.610 3.726 1.00 0.00 O ATOM 0 H GLY A 112 2.646 -0.767 2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.481 -1.015 2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.755 -0.107 1.491 1.00 0.00 H new ATOM 1779 N TRP A 113 6.090 1.374 3.573 1.00 0.00 N ATOM 1780 CA TRP A 113 6.337 2.641 4.316 1.00 0.00 C ATOM 1781 C TRP A 113 7.520 3.383 3.706 1.00 0.00 C ATOM 1782 O TRP A 113 8.281 2.837 2.942 1.00 0.00 O ATOM 1783 CB TRP A 113 6.603 2.334 5.795 1.00 0.00 C ATOM 1784 CG TRP A 113 7.687 1.306 5.976 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.461 0.009 6.301 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.139 1.453 5.881 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.678 -0.639 6.429 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.736 0.202 6.174 1.00 0.00 C ATOM 1789 CE3 TRP A 113 9.990 2.530 5.575 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.116 0.031 6.170 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.387 2.354 5.563 1.00 0.00 C ATOM 1792 CH2 TRP A 113 11.944 1.107 5.864 1.00 0.00 C ATOM 0 H TRP A 113 6.929 0.877 3.274 1.00 0.00 H new ATOM 0 HA TRP A 113 5.454 3.276 4.243 1.00 0.00 H new ATOM 0 HB2 TRP A 113 6.886 3.252 6.310 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.685 1.977 6.261 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.490 -0.444 6.438 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.778 -1.622 6.682 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.569 3.498 5.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.544 -0.933 6.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.031 3.186 5.320 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.016 0.979 5.859 1.00 0.00 H new ATOM 1803 N ILE A 114 7.666 4.636 4.039 1.00 0.00 N ATOM 1804 CA ILE A 114 8.793 5.447 3.488 1.00 0.00 C ATOM 1805 C ILE A 114 9.038 6.636 4.413 1.00 0.00 C ATOM 1806 O ILE A 114 8.162 7.034 5.156 1.00 0.00 O ATOM 1807 CB ILE A 114 8.445 5.968 2.085 1.00 0.00 C ATOM 1808 CG1 ILE A 114 7.059 6.614 2.114 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.488 4.849 1.042 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.613 6.966 0.694 1.00 0.00 C ATOM 0 H ILE A 114 7.048 5.139 4.675 1.00 0.00 H new ATOM 0 HA ILE A 114 9.684 4.822 3.421 1.00 0.00 H new ATOM 0 HB ILE A 114 9.191 6.709 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.341 5.933 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.081 7.513 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.236 5.255 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.489 4.419 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.769 4.075 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.625 7.425 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.324 7.664 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.572 6.059 0.090 1.00 0.00 H new ATOM 1822 N ASP A 115 10.218 7.211 4.376 1.00 0.00 N ATOM 1823 CA ASP A 115 10.513 8.376 5.257 1.00 0.00 C ATOM 1824 C ASP A 115 9.919 9.632 4.620 1.00 0.00 C ATOM 1825 O ASP A 115 9.452 9.599 3.500 1.00 0.00 O ATOM 1826 CB ASP A 115 12.032 8.536 5.418 1.00 0.00 C ATOM 1827 CG ASP A 115 12.363 9.460 6.603 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.439 9.973 7.211 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.541 9.631 6.887 1.00 0.00 O ATOM 0 H ASP A 115 10.987 6.920 3.772 1.00 0.00 H new ATOM 0 HA ASP A 115 10.074 8.219 6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.490 7.559 5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.458 8.945 4.502 1.00 0.00 H new ATOM 1834 N LEU A 116 9.920 10.732 5.314 1.00 0.00 N ATOM 1835 CA LEU A 116 9.342 11.974 4.734 1.00 0.00 C ATOM 1836 C LEU A 116 10.235 12.464 3.580 1.00 0.00 C ATOM 1837 O LEU A 116 9.769 13.106 2.663 1.00 0.00 O ATOM 1838 CB LEU A 116 9.248 13.048 5.843 1.00 0.00 C ATOM 1839 CG LEU A 116 8.223 14.163 5.484 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.578 14.712 6.768 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.920 15.321 4.751 1.00 0.00 C ATOM 0 H LEU A 116 10.296 10.826 6.258 1.00 0.00 H new ATOM 0 HA LEU A 116 8.344 11.779 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.958 12.576 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.230 13.494 6.001 1.00 0.00 H new ATOM 0 HG LEU A 116 7.461 13.730 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.862 15.492 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.064 13.905 7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.351 15.128 7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.188 16.091 4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.693 15.745 5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.374 14.949 3.832 1.00 0.00 H new ATOM 1853 N HIS A 117 11.526 12.179 3.616 1.00 0.00 N ATOM 1854 CA HIS A 117 12.436 12.672 2.521 1.00 0.00 C ATOM 1855 C HIS A 117 12.790 11.569 1.513 1.00 0.00 C ATOM 1856 O HIS A 117 12.577 11.742 0.327 1.00 0.00 O ATOM 1857 CB HIS A 117 13.714 13.257 3.147 1.00 0.00 C ATOM 1858 CG HIS A 117 14.697 12.162 3.490 1.00 0.00 C ATOM 1859 ND1 HIS A 117 15.936 12.059 2.880 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.641 11.142 4.403 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.576 11.012 3.436 1.00 0.00 C ATOM 1862 NE2 HIS A 117 15.827 10.416 4.367 1.00 0.00 N ATOM 0 H HIS A 117 11.982 11.633 4.347 1.00 0.00 H new ATOM 0 HA HIS A 117 11.905 13.445 1.966 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.175 13.960 2.453 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.459 13.817 4.047 1.00 0.00 H new ATOM 0 HD1 HIS A 117 16.298 12.665 2.144 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.803 10.933 5.052 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.571 10.694 3.163 1.00 0.00 H new ATOM 1870 N ARG A 118 13.332 10.445 1.943 1.00 0.00 N ATOM 1871 CA ARG A 118 13.686 9.383 0.949 1.00 0.00 C ATOM 1872 C ARG A 118 12.499 8.446 0.747 1.00 0.00 C ATOM 1873 O ARG A 118 11.983 7.834 1.665 1.00 0.00 O ATOM 1874 CB ARG A 118 14.942 8.593 1.382 1.00 0.00 C ATOM 1875 CG ARG A 118 14.713 7.851 2.699 1.00 0.00 C ATOM 1876 CD ARG A 118 16.037 7.242 3.192 1.00 0.00 C ATOM 1877 NE ARG A 118 15.785 6.304 4.348 1.00 0.00 N ATOM 1878 CZ ARG A 118 15.161 6.688 5.439 1.00 0.00 C ATOM 1879 NH1 ARG A 118 14.846 7.943 5.621 1.00 0.00 N ATOM 1880 NH2 ARG A 118 14.884 5.807 6.371 1.00 0.00 N ATOM 0 H ARG A 118 13.539 10.225 2.917 1.00 0.00 H new ATOM 0 HA ARG A 118 13.922 9.868 0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.210 7.879 0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.784 9.277 1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.316 8.536 3.448 1.00 0.00 H new ATOM 0 HG3 ARG A 118 13.970 7.065 2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.523 6.704 2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.717 8.036 3.501 1.00 0.00 H new ATOM 0 HE ARG A 118 16.110 5.340 4.280 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.084 8.637 4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 118 14.362 8.229 6.472 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.153 4.831 6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.400 6.098 7.220 1.00 0.00 H new ATOM 1894 N LEU A 119 12.053 8.358 -0.471 1.00 0.00 N ATOM 1895 CA LEU A 119 10.891 7.494 -0.798 1.00 0.00 C ATOM 1896 C LEU A 119 11.341 6.038 -0.962 1.00 0.00 C ATOM 1897 O LEU A 119 10.582 5.209 -1.398 1.00 0.00 O ATOM 1898 CB LEU A 119 10.248 7.937 -2.118 1.00 0.00 C ATOM 1899 CG LEU A 119 10.034 9.451 -2.150 1.00 0.00 C ATOM 1900 CD1 LEU A 119 9.084 9.793 -3.301 1.00 0.00 C ATOM 1901 CD2 LEU A 119 9.412 9.925 -0.837 1.00 0.00 C ATOM 0 H LEU A 119 12.451 8.857 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 119 10.174 7.580 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 119 10.883 7.639 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.292 7.429 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 119 10.995 9.945 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.924 10.871 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.521 9.463 -4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.130 9.289 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.265 11.004 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.451 9.432 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.076 9.677 -0.009 1.00 0.00 H new ATOM 1913 N ASP A 120 12.563 5.722 -0.654 1.00 0.00 N ATOM 1914 CA ASP A 120 13.043 4.310 -0.853 1.00 0.00 C ATOM 1915 C ASP A 120 12.888 3.497 0.426 1.00 0.00 C ATOM 1916 O ASP A 120 13.834 2.915 0.919 1.00 0.00 O ATOM 1917 CB ASP A 120 14.515 4.332 -1.259 1.00 0.00 C ATOM 1918 CG ASP A 120 15.357 4.967 -0.152 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.839 5.154 0.937 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.513 5.249 -0.412 1.00 0.00 O ATOM 0 H ASP A 120 13.255 6.368 -0.275 1.00 0.00 H new ATOM 0 HA ASP A 120 12.442 3.846 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.862 3.317 -1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.636 4.893 -2.186 1.00 0.00 H new ATOM 1925 N GLY A 121 11.706 3.438 0.951 1.00 0.00 N ATOM 1926 CA GLY A 121 11.477 2.642 2.183 1.00 0.00 C ATOM 1927 C GLY A 121 11.553 1.156 1.856 1.00 0.00 C ATOM 1928 O GLY A 121 12.208 0.732 0.922 1.00 0.00 O ATOM 0 H GLY A 121 10.881 3.909 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.223 2.897 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.502 2.882 2.606 1.00 0.00 H new ATOM 1932 N MET A 122 10.848 0.382 2.623 1.00 0.00 N ATOM 1933 CA MET A 122 10.793 -1.091 2.421 1.00 0.00 C ATOM 1934 C MET A 122 9.353 -1.514 2.703 1.00 0.00 C ATOM 1935 O MET A 122 8.622 -0.778 3.333 1.00 0.00 O ATOM 1936 CB MET A 122 11.748 -1.762 3.412 1.00 0.00 C ATOM 1937 CG MET A 122 12.040 -3.188 2.964 1.00 0.00 C ATOM 1938 SD MET A 122 12.861 -4.093 4.303 1.00 0.00 S ATOM 1939 CE MET A 122 11.386 -4.509 5.267 1.00 0.00 C ATOM 0 H MET A 122 10.289 0.718 3.407 1.00 0.00 H new ATOM 0 HA MET A 122 11.087 -1.378 1.411 1.00 0.00 H new ATOM 0 HB2 MET A 122 12.676 -1.195 3.477 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.307 -1.768 4.409 1.00 0.00 H new ATOM 0 HG2 MET A 122 11.113 -3.690 2.688 1.00 0.00 H new ATOM 0 HG3 MET A 122 12.673 -3.178 2.077 1.00 0.00 H new ATOM 0 HE1 MET A 122 11.635 -5.275 6.002 1.00 0.00 H new ATOM 0 HE2 MET A 122 11.023 -3.618 5.780 1.00 0.00 H new ATOM 0 HE3 MET A 122 10.610 -4.885 4.600 1.00 0.00 H new ATOM 1949 N GLY A 123 8.907 -2.654 2.251 1.00 0.00 N ATOM 1950 CA GLY A 123 7.492 -3.022 2.521 1.00 0.00 C ATOM 1951 C GLY A 123 7.305 -4.522 2.447 1.00 0.00 C ATOM 1952 O GLY A 123 7.471 -5.135 1.411 1.00 0.00 O ATOM 0 H GLY A 123 9.449 -3.333 1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.200 -2.662 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.840 -2.533 1.797 1.00 0.00 H new ATOM 1956 N CYS A 124 6.957 -5.107 3.558 1.00 0.00 N ATOM 1957 CA CYS A 124 6.733 -6.568 3.601 1.00 0.00 C ATOM 1958 C CYS A 124 5.328 -6.895 3.111 1.00 0.00 C ATOM 1959 O CYS A 124 4.365 -6.260 3.496 1.00 0.00 O ATOM 1960 CB CYS A 124 6.882 -7.068 5.037 1.00 0.00 C ATOM 1961 SG CYS A 124 8.577 -6.773 5.596 1.00 0.00 S ATOM 0 H CYS A 124 6.818 -4.625 4.446 1.00 0.00 H new ATOM 0 HA CYS A 124 7.467 -7.054 2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 124 6.176 -6.553 5.689 1.00 0.00 H new ATOM 0 HB3 CYS A 124 6.648 -8.131 5.091 1.00 0.00 H new ATOM 0 HG CYS A 124 8.710 -7.194 6.819 1.00 0.00 H new ATOM 1967 N LEU A 125 5.207 -7.903 2.287 1.00 0.00 N ATOM 1968 CA LEU A 125 3.857 -8.319 1.775 1.00 0.00 C ATOM 1969 C LEU A 125 3.668 -9.816 2.050 1.00 0.00 C ATOM 1970 O LEU A 125 4.540 -10.618 1.797 1.00 0.00 O ATOM 1971 CB LEU A 125 3.770 -8.001 0.282 1.00 0.00 C ATOM 1972 CG LEU A 125 2.511 -8.608 -0.344 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.255 -7.980 0.275 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.535 -8.351 -1.852 1.00 0.00 C ATOM 0 H LEU A 125 5.987 -8.462 1.942 1.00 0.00 H new ATOM 0 HA LEU A 125 3.060 -7.774 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.766 -6.921 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.654 -8.387 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 125 2.490 -9.681 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.367 -8.420 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.245 -8.168 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.259 -6.905 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.643 -8.779 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.558 -7.277 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.422 -8.813 -2.286 1.00 0.00 H new ATOM 1986 N GLU A 126 2.533 -10.192 2.605 1.00 0.00 N ATOM 1987 CA GLU A 126 2.293 -11.642 2.936 1.00 0.00 C ATOM 1988 C GLU A 126 0.791 -11.990 2.939 1.00 0.00 C ATOM 1989 O GLU A 126 -0.032 -11.237 3.420 1.00 0.00 O ATOM 1990 CB GLU A 126 2.808 -11.937 4.344 1.00 0.00 C ATOM 1991 CG GLU A 126 4.298 -11.612 4.445 1.00 0.00 C ATOM 1992 CD GLU A 126 4.818 -12.088 5.807 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.090 -12.794 6.479 1.00 0.00 O ATOM 1994 OE2 GLU A 126 5.932 -11.724 6.159 1.00 0.00 O ATOM 0 H GLU A 126 1.767 -9.562 2.842 1.00 0.00 H new ATOM 0 HA GLU A 126 2.809 -12.229 2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.251 -11.348 5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.641 -12.986 4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.846 -12.101 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.458 -10.540 4.334 1.00 0.00 H new ATOM 2001 N PHE A 127 0.453 -13.163 2.473 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.969 -13.631 2.509 1.00 0.00 C ATOM 2003 C PHE A 127 -1.267 -14.157 3.930 1.00 0.00 C ATOM 2004 O PHE A 127 -1.020 -15.308 4.219 1.00 0.00 O ATOM 2005 CB PHE A 127 -1.114 -14.786 1.496 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.832 -14.337 0.243 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -1.119 -13.811 -0.846 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -3.219 -14.488 0.165 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -1.809 -13.435 -2.009 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.907 -14.110 -0.990 1.00 0.00 C ATOM 2011 CZ PHE A 127 -3.203 -13.586 -2.078 1.00 0.00 C ATOM 0 H PHE A 127 1.109 -13.828 2.063 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.658 -12.824 2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -0.127 -15.168 1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.662 -15.608 1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -0.047 -13.696 -0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.762 -14.899 1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.267 -13.029 -2.851 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.980 -14.222 -1.042 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.733 -13.297 -2.974 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.779 -13.353 4.825 1.00 0.00 N ATOM 2022 CA ASP A 128 -2.051 -13.883 6.200 1.00 0.00 C ATOM 2023 C ASP A 128 -3.185 -13.091 6.856 1.00 0.00 C ATOM 2024 O ASP A 128 -3.333 -13.070 8.064 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.767 -13.764 7.030 1.00 0.00 C ATOM 2026 CG ASP A 128 -0.958 -14.407 8.401 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -1.989 -15.021 8.610 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.059 -14.282 9.221 1.00 0.00 O ATOM 0 H ASP A 128 -2.017 -12.373 4.672 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.357 -14.928 6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.058 -14.247 6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.499 -12.714 7.148 1.00 0.00 H new ATOM 2033 N GLU A 129 -3.984 -12.439 6.069 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.108 -11.645 6.635 1.00 0.00 C ATOM 2035 C GLU A 129 -6.115 -12.550 7.356 1.00 0.00 C ATOM 2036 O GLU A 129 -6.652 -13.504 6.802 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.802 -10.886 5.501 1.00 0.00 C ATOM 2038 CG GLU A 129 -5.007 -9.645 5.112 1.00 0.00 C ATOM 2039 CD GLU A 129 -5.089 -8.605 6.234 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -5.756 -8.874 7.221 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -4.497 -7.553 6.081 1.00 0.00 O ATOM 0 H GLU A 129 -3.909 -12.420 5.052 1.00 0.00 H new ATOM 0 HA GLU A 129 -4.710 -10.941 7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.912 -11.539 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.806 -10.597 5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.967 -9.912 4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.399 -9.226 4.185 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.408 -12.229 8.583 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.402 -13.034 9.326 1.00 0.00 C ATOM 2050 C GLU A 130 -8.730 -12.942 8.591 1.00 0.00 C ATOM 2051 O GLU A 130 -9.517 -13.867 8.587 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.537 -12.502 10.760 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.227 -11.132 10.740 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.094 -10.462 12.111 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -8.213 -11.158 13.103 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -7.877 -9.260 12.144 1.00 0.00 O ATOM 0 H GLU A 130 -6.003 -11.447 9.098 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.085 -14.075 9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.114 -13.202 11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.553 -12.418 11.221 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.780 -10.501 9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.280 -11.249 10.483 1.00 0.00 H new ATOM 2063 N ARG A 131 -8.987 -11.853 7.923 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.258 -11.778 7.167 1.00 0.00 C ATOM 2065 C ARG A 131 -10.129 -12.695 5.957 1.00 0.00 C ATOM 2066 O ARG A 131 -11.091 -12.966 5.265 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.588 -10.330 6.751 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.327 -9.597 6.306 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.685 -8.157 5.931 1.00 0.00 C ATOM 2070 NE ARG A 131 -8.439 -7.328 5.936 1.00 0.00 N ATOM 2071 CZ ARG A 131 -7.758 -7.140 7.040 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -8.223 -7.555 8.193 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -6.615 -6.521 7.002 1.00 0.00 N ATOM 0 H ARG A 131 -8.385 -11.031 7.870 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.087 -12.104 7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.316 -10.336 5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -11.046 -9.801 7.587 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.587 -9.603 7.106 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -8.878 -10.106 5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -10.152 -8.129 4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -10.409 -7.753 6.638 1.00 0.00 H new ATOM 0 HE ARG A 131 -8.115 -6.903 5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.124 -8.030 8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -7.683 -7.403 9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -6.248 -6.182 6.113 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -6.085 -6.375 7.861 1.00 0.00 H new ATOM 2087 N ALA A 132 -8.943 -13.209 5.715 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.762 -14.145 4.570 1.00 0.00 C ATOM 2089 C ALA A 132 -9.516 -15.412 4.867 1.00 0.00 C ATOM 2090 O ALA A 132 -10.244 -15.921 4.038 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.289 -14.509 4.376 1.00 0.00 C ATOM 0 H ALA A 132 -8.102 -13.019 6.260 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.128 -13.658 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.191 -15.193 3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.714 -13.605 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.911 -14.989 5.279 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.347 -15.950 6.032 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.080 -17.216 6.319 1.00 0.00 C ATOM 2099 C GLN A 133 -11.596 -16.946 6.332 1.00 0.00 C ATOM 2100 O GLN A 133 -12.374 -17.719 5.798 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.632 -17.825 7.656 1.00 0.00 C ATOM 2102 CG GLN A 133 -9.566 -16.740 8.727 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.249 -17.376 10.086 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.191 -17.944 10.278 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.137 -17.315 11.040 1.00 0.00 N ATOM 0 H GLN A 133 -8.755 -15.589 6.780 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.850 -17.935 5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -10.328 -18.606 7.961 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.655 -18.295 7.542 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -8.801 -16.007 8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -10.515 -16.206 8.777 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.025 -16.839 10.881 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -9.943 -17.743 11.945 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.028 -15.858 6.932 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.500 -15.571 6.963 1.00 0.00 C ATOM 2116 C GLN A 134 -13.992 -15.066 5.591 1.00 0.00 C ATOM 2117 O GLN A 134 -15.033 -15.471 5.117 1.00 0.00 O ATOM 2118 CB GLN A 134 -13.817 -14.555 8.093 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.741 -13.095 7.600 1.00 0.00 C ATOM 2120 CD GLN A 134 -15.043 -12.689 6.902 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -16.125 -13.012 7.358 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.977 -11.983 5.810 1.00 0.00 N ATOM 0 H GLN A 134 -11.436 -15.168 7.394 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.036 -16.496 7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -14.814 -14.752 8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.115 -14.697 8.915 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -13.553 -12.431 8.443 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -12.903 -12.982 6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -14.069 -11.714 5.431 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -15.833 -11.699 5.334 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.268 -14.187 4.950 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.742 -13.683 3.629 1.00 0.00 C ATOM 2133 C GLU A 135 -13.646 -14.791 2.584 1.00 0.00 C ATOM 2134 O GLU A 135 -14.425 -14.844 1.656 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.907 -12.464 3.193 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.517 -12.897 2.669 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.495 -12.935 1.134 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -12.270 -13.682 0.566 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -10.686 -12.227 0.556 1.00 0.00 O ATOM 0 H GLU A 135 -12.382 -13.801 5.278 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.784 -13.375 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.438 -11.916 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.785 -11.783 4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.756 -12.205 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.266 -13.881 3.064 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.703 -15.678 2.719 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.590 -16.767 1.718 1.00 0.00 C ATOM 2148 C ASP A 136 -13.883 -17.555 1.723 1.00 0.00 C ATOM 2149 O ASP A 136 -14.443 -17.866 0.695 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.419 -17.690 2.059 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.337 -18.796 1.002 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.151 -18.771 0.094 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -10.456 -19.636 1.107 1.00 0.00 O ATOM 0 H ASP A 136 -12.014 -15.696 3.471 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.410 -16.340 0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.488 -17.124 2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.557 -18.124 3.049 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.380 -17.850 2.876 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.658 -18.592 2.943 1.00 0.00 C ATOM 2160 C ALA A 137 -16.756 -17.745 2.293 1.00 0.00 C ATOM 2161 O ALA A 137 -17.500 -18.217 1.459 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.011 -18.853 4.400 1.00 0.00 C ATOM 0 H ALA A 137 -13.961 -17.612 3.775 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.566 -19.543 2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -16.952 -19.400 4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.222 -19.443 4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.112 -17.903 4.926 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.855 -16.491 2.677 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.908 -15.599 2.112 1.00 0.00 C ATOM 2170 C LEU A 138 -17.524 -15.115 0.704 1.00 0.00 C ATOM 2171 O LEU A 138 -18.319 -14.505 0.016 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.073 -14.381 3.033 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.261 -14.853 4.480 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.505 -13.637 5.372 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.448 -15.825 4.567 1.00 0.00 C ATOM 0 H LEU A 138 -16.244 -16.049 3.364 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.841 -16.159 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.197 -13.736 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.932 -13.788 2.719 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.365 -15.375 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.640 -13.963 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.649 -12.965 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.401 -13.114 5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -19.574 -16.155 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.356 -15.322 4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.258 -16.689 3.930 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.313 -15.362 0.266 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.903 -14.888 -1.090 1.00 0.00 C ATOM 2189 C ALA A 139 -16.811 -15.509 -2.137 1.00 0.00 C ATOM 2190 O ALA A 139 -17.328 -14.836 -3.009 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.473 -15.346 -1.366 1.00 0.00 C ATOM 0 H ALA A 139 -15.596 -15.868 0.786 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.971 -13.801 -1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.166 -15.004 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.805 -14.927 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.426 -16.434 -1.328 1.00 0.00 H new