USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 664 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 18 MET CE :methyl -171:sc= -1.08 (180deg=0) USER MOD Set 1.2: A 82 MET CE :methyl 153:sc= -6.03! (180deg=-3.57!) USER MOD Set 1.3: A 86 MET CE :methyl -155:sc= -6.86! (180deg=-9.85!) USER MOD Set 2.1: A 46 MET CE :methyl -156:sc= -1.88 (180deg=-4.81!) USER MOD Set 2.2: A 51 GLN : amide:sc= -0.426 K(o=-2.3,f=-1.7) USER MOD Set 3.1: A 38 SER OG : rot 180:sc= 0.319 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0.0605 USER MOD Single : A 6 GLN : amide:sc= -1.21! C(o=-1.2!,f=-3.2!) USER MOD Single : A 7 GLN : amide:sc= -2.17 K(o=-2.2,f=-4.1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -164:sc= 0 (180deg=-0.451) USER MOD Single : A 40 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0109) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -177:sc= -8.6! (180deg=-8.7!) USER MOD Single : A 52 ASN : amide:sc= -0.0249 X(o=-0.025,f=-0.026) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 55 LYS NZ :NH3+ -160:sc= -1.72 (180deg=-2.64!) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -123:sc= 0.486 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -140:sc= -3.1! (180deg=-6.16!) USER MOD Single : A 85 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.8!) USER MOD Single : A 87 LYS NZ :NH3+ -107:sc=-0.00879 (180deg=-0.588) USER MOD Single : B 117 SER OG : rot 67:sc= 1.09 USER MOD Single : B 121 MET CE :methyl 152:sc= -5.75! (180deg=-8.19!) USER MOD ----------------------------------------------------------------- ATOM 67 N GLN A 6 -14.126 2.607 -0.832 1.00 0.00 N ATOM 68 CA GLN A 6 -13.177 2.782 0.264 1.00 0.00 C ATOM 69 C GLN A 6 -11.798 3.184 -0.259 1.00 0.00 C ATOM 70 O GLN A 6 -11.004 3.788 0.461 1.00 0.00 O ATOM 71 CB GLN A 6 -13.070 1.494 1.083 1.00 0.00 C ATOM 72 CG GLN A 6 -12.436 0.338 0.325 1.00 0.00 C ATOM 73 CD GLN A 6 -12.142 -0.852 1.216 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.683 -0.967 2.317 1.00 0.00 O ATOM 75 NE2 GLN A 6 -11.279 -1.745 0.746 1.00 0.00 N ATOM 0 HA GLN A 6 -13.547 3.584 0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.485 1.693 1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.067 1.199 1.411 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.102 0.028 -0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.510 0.677 -0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.854 -1.610 -0.172 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.041 -2.566 1.302 1.00 0.00 H new ATOM 84 N GLN A 7 -11.522 2.846 -1.515 1.00 0.00 N ATOM 85 CA GLN A 7 -10.240 3.175 -2.130 1.00 0.00 C ATOM 86 C GLN A 7 -10.172 4.657 -2.488 1.00 0.00 C ATOM 87 O GLN A 7 -9.089 5.229 -2.601 1.00 0.00 O ATOM 88 CB GLN A 7 -10.013 2.326 -3.383 1.00 0.00 C ATOM 89 CG GLN A 7 -10.326 0.851 -3.188 1.00 0.00 C ATOM 90 CD GLN A 7 -10.923 0.213 -4.427 1.00 0.00 C ATOM 91 OE1 GLN A 7 -11.146 0.881 -5.437 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.186 -1.087 -4.357 1.00 0.00 N ATOM 0 H GLN A 7 -12.167 2.345 -2.126 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.455 2.956 -1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.631 2.716 -4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.975 2.429 -3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.412 0.322 -2.916 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.020 0.738 -2.355 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.985 -1.602 -3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.589 -1.570 -5.160 1.00 0.00 H new ATOM 101 N ALA A 8 -11.337 5.272 -2.664 1.00 0.00 N ATOM 102 CA ALA A 8 -11.408 6.686 -3.008 1.00 0.00 C ATOM 103 C ALA A 8 -11.182 7.557 -1.780 1.00 0.00 C ATOM 104 O ALA A 8 -10.338 8.453 -1.789 1.00 0.00 O ATOM 105 CB ALA A 8 -12.749 7.007 -3.650 1.00 0.00 C ATOM 0 H ALA A 8 -12.244 4.813 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.617 6.903 -3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.788 8.067 -3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.869 6.414 -4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.552 6.770 -2.952 1.00 0.00 H new ATOM 111 N GLU A 9 -11.933 7.283 -0.716 1.00 0.00 N ATOM 112 CA GLU A 9 -11.800 8.039 0.522 1.00 0.00 C ATOM 113 C GLU A 9 -10.374 7.935 1.044 1.00 0.00 C ATOM 114 O GLU A 9 -9.810 8.905 1.549 1.00 0.00 O ATOM 115 CB GLU A 9 -12.783 7.526 1.576 1.00 0.00 C ATOM 116 CG GLU A 9 -14.223 7.475 1.090 1.00 0.00 C ATOM 117 CD GLU A 9 -15.182 6.995 2.162 1.00 0.00 C ATOM 118 OE1 GLU A 9 -15.640 7.833 2.968 1.00 0.00 O ATOM 119 OE2 GLU A 9 -15.475 5.781 2.197 1.00 0.00 O ATOM 0 H GLU A 9 -12.637 6.545 -0.688 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.030 9.084 0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.478 6.528 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.727 8.167 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.525 8.467 0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.288 6.813 0.226 1.00 0.00 H new ATOM 126 N ALA A 10 -9.794 6.746 0.900 1.00 0.00 N ATOM 127 CA ALA A 10 -8.428 6.487 1.333 1.00 0.00 C ATOM 128 C ALA A 10 -7.492 7.618 0.916 1.00 0.00 C ATOM 129 O ALA A 10 -6.812 8.215 1.750 1.00 0.00 O ATOM 130 CB ALA A 10 -7.953 5.170 0.745 1.00 0.00 C ATOM 0 H ALA A 10 -10.257 5.940 0.481 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.414 6.428 2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.931 4.975 1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.602 4.364 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.985 5.225 -0.343 1.00 0.00 H new ATOM 136 N ARG A 11 -7.471 7.907 -0.382 1.00 0.00 N ATOM 137 CA ARG A 11 -6.627 8.970 -0.918 1.00 0.00 C ATOM 138 C ARG A 11 -6.881 10.287 -0.191 1.00 0.00 C ATOM 139 O ARG A 11 -6.009 11.153 -0.130 1.00 0.00 O ATOM 140 CB ARG A 11 -6.883 9.140 -2.418 1.00 0.00 C ATOM 141 CG ARG A 11 -5.613 9.199 -3.251 1.00 0.00 C ATOM 142 CD ARG A 11 -5.914 9.539 -4.701 1.00 0.00 C ATOM 143 NE ARG A 11 -6.183 10.963 -4.886 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.234 11.893 -4.973 1.00 0.00 C ATOM 145 NH1 ARG A 11 -3.953 11.554 -4.890 1.00 0.00 N ATOM 146 NH2 ARG A 11 -5.567 13.165 -5.144 1.00 0.00 N ATOM 0 H ARG A 11 -8.029 7.419 -1.083 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.585 8.689 -0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.499 8.312 -2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.455 10.054 -2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.937 9.946 -2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.098 8.239 -3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.070 9.246 -5.325 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.775 8.961 -5.038 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.156 11.263 -4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.692 10.577 -4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.230 12.271 -4.957 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.550 13.431 -5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.840 13.878 -5.211 1.00 0.00 H new ATOM 160 N ALA A 12 -8.084 10.430 0.358 1.00 0.00 N ATOM 161 CA ALA A 12 -8.456 11.640 1.080 1.00 0.00 C ATOM 162 C ALA A 12 -8.300 11.463 2.589 1.00 0.00 C ATOM 163 O ALA A 12 -8.276 12.441 3.334 1.00 0.00 O ATOM 164 CB ALA A 12 -9.886 12.032 0.741 1.00 0.00 C ATOM 0 H ALA A 12 -8.817 9.722 0.316 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.781 12.437 0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.154 12.937 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.969 12.215 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.561 11.225 1.024 1.00 0.00 H new ATOM 170 N PHE A 13 -8.201 10.213 3.038 1.00 0.00 N ATOM 171 CA PHE A 13 -8.055 9.928 4.460 1.00 0.00 C ATOM 172 C PHE A 13 -6.687 10.368 4.973 1.00 0.00 C ATOM 173 O PHE A 13 -6.538 10.722 6.142 1.00 0.00 O ATOM 174 CB PHE A 13 -8.255 8.435 4.729 1.00 0.00 C ATOM 175 CG PHE A 13 -8.154 8.072 6.183 1.00 0.00 C ATOM 176 CD1 PHE A 13 -9.156 8.432 7.071 1.00 0.00 C ATOM 177 CD2 PHE A 13 -7.057 7.375 6.662 1.00 0.00 C ATOM 178 CE1 PHE A 13 -9.064 8.103 8.409 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.960 7.044 8.000 1.00 0.00 C ATOM 180 CZ PHE A 13 -7.965 7.408 8.875 1.00 0.00 C ATOM 0 H PHE A 13 -8.219 9.387 2.440 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.820 10.493 4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -9.233 8.134 4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.511 7.869 4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.018 8.976 6.712 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.269 7.087 5.982 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -9.851 8.389 9.091 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -6.099 6.501 8.361 1.00 0.00 H new ATOM 0 HZ PHE A 13 -7.892 7.150 9.921 1.00 0.00 H new ATOM 190 N LEU A 14 -5.690 10.340 4.095 1.00 0.00 N ATOM 191 CA LEU A 14 -4.335 10.734 4.468 1.00 0.00 C ATOM 192 C LEU A 14 -3.949 12.054 3.811 1.00 0.00 C ATOM 193 O LEU A 14 -4.729 12.638 3.057 1.00 0.00 O ATOM 194 CB LEU A 14 -3.331 9.646 4.075 1.00 0.00 C ATOM 195 CG LEU A 14 -3.889 8.219 4.053 1.00 0.00 C ATOM 196 CD1 LEU A 14 -4.045 7.729 2.622 1.00 0.00 C ATOM 197 CD2 LEU A 14 -2.991 7.280 4.845 1.00 0.00 C ATOM 0 H LEU A 14 -5.793 10.050 3.123 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.312 10.865 5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.935 9.879 3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.492 9.680 4.770 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.873 8.228 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.442 6.714 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.731 8.385 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.074 7.736 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.404 6.272 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.993 7.275 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.932 7.619 5.879 1.00 0.00 H new ATOM 209 N SER A 15 -2.739 12.518 4.102 1.00 0.00 N ATOM 210 CA SER A 15 -2.241 13.768 3.540 1.00 0.00 C ATOM 211 C SER A 15 -1.466 13.510 2.254 1.00 0.00 C ATOM 212 O SER A 15 -1.029 12.387 1.999 1.00 0.00 O ATOM 213 CB SER A 15 -1.336 14.480 4.549 1.00 0.00 C ATOM 214 OG SER A 15 -1.646 14.087 5.876 1.00 0.00 O ATOM 0 H SER A 15 -2.084 12.046 4.725 1.00 0.00 H new ATOM 0 HA SER A 15 -3.098 14.403 3.314 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.293 14.250 4.332 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.452 15.559 4.449 1.00 0.00 H new ATOM 0 HG SER A 15 -1.054 14.554 6.502 1.00 0.00 H new ATOM 220 N GLU A 16 -1.284 14.555 1.451 1.00 0.00 N ATOM 221 CA GLU A 16 -0.543 14.432 0.200 1.00 0.00 C ATOM 222 C GLU A 16 0.793 13.736 0.447 1.00 0.00 C ATOM 223 O GLU A 16 1.336 13.070 -0.436 1.00 0.00 O ATOM 224 CB GLU A 16 -0.310 15.810 -0.422 1.00 0.00 C ATOM 225 CG GLU A 16 -0.403 15.816 -1.938 1.00 0.00 C ATOM 226 CD GLU A 16 -1.080 17.062 -2.475 1.00 0.00 C ATOM 227 OE1 GLU A 16 -2.142 17.439 -1.936 1.00 0.00 O ATOM 228 OE2 GLU A 16 -0.550 17.659 -3.436 1.00 0.00 O ATOM 0 H GLU A 16 -1.638 15.492 1.643 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.132 13.832 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.042 16.510 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.674 16.172 -0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.599 15.741 -2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.955 14.936 -2.268 1.00 0.00 H new ATOM 235 N GLU A 17 1.307 13.891 1.664 1.00 0.00 N ATOM 236 CA GLU A 17 2.568 13.280 2.055 1.00 0.00 C ATOM 237 C GLU A 17 2.485 11.760 1.942 1.00 0.00 C ATOM 238 O GLU A 17 3.338 11.125 1.321 1.00 0.00 O ATOM 239 CB GLU A 17 2.914 13.678 3.490 1.00 0.00 C ATOM 240 CG GLU A 17 3.838 14.881 3.583 1.00 0.00 C ATOM 241 CD GLU A 17 3.085 16.195 3.596 1.00 0.00 C ATOM 242 OE1 GLU A 17 1.959 16.240 3.056 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.619 17.181 4.147 1.00 0.00 O ATOM 0 H GLU A 17 0.863 14.440 2.400 1.00 0.00 H new ATOM 0 HA GLU A 17 3.350 13.635 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.992 13.896 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.383 12.831 3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.440 14.803 4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.528 14.870 2.739 1.00 0.00 H new ATOM 250 N MET A 18 1.451 11.187 2.549 1.00 0.00 N ATOM 251 CA MET A 18 1.248 9.743 2.523 1.00 0.00 C ATOM 252 C MET A 18 0.955 9.255 1.105 1.00 0.00 C ATOM 253 O MET A 18 1.131 8.075 0.798 1.00 0.00 O ATOM 254 CB MET A 18 0.102 9.355 3.460 1.00 0.00 C ATOM 255 CG MET A 18 0.383 8.109 4.284 1.00 0.00 C ATOM 256 SD MET A 18 1.401 8.446 5.735 1.00 0.00 S ATOM 257 CE MET A 18 1.024 7.022 6.756 1.00 0.00 C ATOM 0 H MET A 18 0.739 11.702 3.066 1.00 0.00 H new ATOM 0 HA MET A 18 2.166 9.265 2.864 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.103 10.187 4.134 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.800 9.194 2.870 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.562 7.669 4.603 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.884 7.370 3.658 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.450 7.163 7.749 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.057 6.909 6.838 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.449 6.127 6.303 1.00 0.00 H new ATOM 267 N ILE A 19 0.511 10.166 0.242 1.00 0.00 N ATOM 268 CA ILE A 19 0.200 9.821 -1.141 1.00 0.00 C ATOM 269 C ILE A 19 1.472 9.761 -1.980 1.00 0.00 C ATOM 270 O ILE A 19 1.844 8.703 -2.489 1.00 0.00 O ATOM 271 CB ILE A 19 -0.783 10.836 -1.767 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.179 10.657 -1.167 1.00 0.00 C ATOM 273 CG2 ILE A 19 -0.830 10.684 -3.282 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.194 11.647 -1.695 1.00 0.00 C ATOM 0 H ILE A 19 0.359 11.147 0.477 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.273 8.839 -1.133 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.429 11.842 -1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.528 9.645 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.116 10.757 -0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.529 11.409 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.163 10.858 -3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.158 9.676 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.161 11.462 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.867 12.661 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.286 11.533 -2.775 1.00 0.00 H new ATOM 286 N ALA A 20 2.138 10.904 -2.115 1.00 0.00 N ATOM 287 CA ALA A 20 3.372 10.984 -2.886 1.00 0.00 C ATOM 288 C ALA A 20 4.353 9.896 -2.462 1.00 0.00 C ATOM 289 O ALA A 20 5.186 9.451 -3.252 1.00 0.00 O ATOM 290 CB ALA A 20 3.995 12.361 -2.726 1.00 0.00 C ATOM 0 H ALA A 20 1.843 11.788 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 20 3.134 10.825 -3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.917 12.413 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.299 13.119 -3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.217 12.540 -1.674 1.00 0.00 H new ATOM 296 N GLU A 21 4.233 9.462 -1.213 1.00 0.00 N ATOM 297 CA GLU A 21 5.089 8.415 -0.676 1.00 0.00 C ATOM 298 C GLU A 21 4.482 7.047 -0.971 1.00 0.00 C ATOM 299 O GLU A 21 5.197 6.065 -1.167 1.00 0.00 O ATOM 300 CB GLU A 21 5.270 8.598 0.831 1.00 0.00 C ATOM 301 CG GLU A 21 5.855 9.948 1.214 1.00 0.00 C ATOM 302 CD GLU A 21 5.589 10.310 2.662 1.00 0.00 C ATOM 303 OE1 GLU A 21 4.665 9.722 3.260 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.306 11.181 3.196 1.00 0.00 O ATOM 0 H GLU A 21 3.546 9.823 -0.551 1.00 0.00 H new ATOM 0 HA GLU A 21 6.067 8.480 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.304 8.477 1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.920 7.809 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.931 9.937 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.434 10.718 0.568 1.00 0.00 H new ATOM 311 N PHE A 22 3.153 7.000 -1.016 1.00 0.00 N ATOM 312 CA PHE A 22 2.438 5.765 -1.304 1.00 0.00 C ATOM 313 C PHE A 22 2.817 5.249 -2.687 1.00 0.00 C ATOM 314 O PHE A 22 2.909 4.043 -2.911 1.00 0.00 O ATOM 315 CB PHE A 22 0.927 6.001 -1.230 1.00 0.00 C ATOM 316 CG PHE A 22 0.269 5.339 -0.054 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.594 4.040 0.300 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.678 6.016 0.696 1.00 0.00 C ATOM 319 CE1 PHE A 22 -0.013 3.428 1.379 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.289 5.410 1.777 1.00 0.00 C ATOM 321 CZ PHE A 22 -0.956 4.114 2.118 1.00 0.00 C ATOM 0 H PHE A 22 2.550 7.807 -0.856 1.00 0.00 H new ATOM 0 HA PHE A 22 2.716 5.018 -0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.738 7.073 -1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.466 5.634 -2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.331 3.499 -0.275 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.942 7.030 0.433 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.250 2.415 1.644 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.026 5.949 2.354 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.433 3.638 2.962 1.00 0.00 H new ATOM 331 N LYS A 23 3.038 6.182 -3.607 1.00 0.00 N ATOM 332 CA LYS A 23 3.414 5.839 -4.972 1.00 0.00 C ATOM 333 C LYS A 23 4.900 5.492 -5.059 1.00 0.00 C ATOM 334 O LYS A 23 5.377 5.026 -6.094 1.00 0.00 O ATOM 335 CB LYS A 23 3.091 7.000 -5.914 1.00 0.00 C ATOM 336 CG LYS A 23 2.914 6.575 -7.364 1.00 0.00 C ATOM 337 CD LYS A 23 1.632 5.783 -7.558 1.00 0.00 C ATOM 338 CE LYS A 23 0.515 6.659 -8.106 1.00 0.00 C ATOM 339 NZ LYS A 23 -0.823 6.217 -7.627 1.00 0.00 N ATOM 0 H LYS A 23 2.963 7.184 -3.431 1.00 0.00 H new ATOM 0 HA LYS A 23 2.840 4.963 -5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.179 7.490 -5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.891 7.738 -5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.899 7.457 -8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.767 5.971 -7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.815 4.954 -8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.323 5.350 -6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.684 7.693 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.537 6.635 -9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.556 6.839 -8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.996 5.239 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.853 6.264 -6.588 1.00 0.00 H new ATOM 353 N ALA A 24 5.627 5.726 -3.968 1.00 0.00 N ATOM 354 CA ALA A 24 7.060 5.443 -3.918 1.00 0.00 C ATOM 355 C ALA A 24 7.392 4.068 -4.493 1.00 0.00 C ATOM 356 O ALA A 24 7.951 3.957 -5.584 1.00 0.00 O ATOM 357 CB ALA A 24 7.559 5.536 -2.485 1.00 0.00 C ATOM 0 H ALA A 24 5.246 6.112 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 24 7.563 6.190 -4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.628 5.324 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.379 6.540 -2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.029 4.811 -1.867 1.00 0.00 H new ATOM 363 N ALA A 25 7.058 3.026 -3.739 1.00 0.00 N ATOM 364 CA ALA A 25 7.332 1.655 -4.153 1.00 0.00 C ATOM 365 C ALA A 25 6.413 1.197 -5.288 1.00 0.00 C ATOM 366 O ALA A 25 6.567 0.091 -5.804 1.00 0.00 O ATOM 367 CB ALA A 25 7.205 0.719 -2.962 1.00 0.00 C ATOM 0 H ALA A 25 6.595 3.106 -2.834 1.00 0.00 H new ATOM 0 HA ALA A 25 8.353 1.625 -4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.411 -0.303 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.919 1.011 -2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.194 0.777 -2.560 1.00 0.00 H new ATOM 373 N PHE A 26 5.459 2.044 -5.674 1.00 0.00 N ATOM 374 CA PHE A 26 4.525 1.707 -6.748 1.00 0.00 C ATOM 375 C PHE A 26 5.254 1.138 -7.963 1.00 0.00 C ATOM 376 O PHE A 26 4.696 0.336 -8.713 1.00 0.00 O ATOM 377 CB PHE A 26 3.720 2.940 -7.158 1.00 0.00 C ATOM 378 CG PHE A 26 2.308 2.628 -7.563 1.00 0.00 C ATOM 379 CD1 PHE A 26 2.028 2.136 -8.828 1.00 0.00 C ATOM 380 CD2 PHE A 26 1.260 2.826 -6.677 1.00 0.00 C ATOM 381 CE1 PHE A 26 0.729 1.847 -9.203 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.040 2.539 -7.047 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.306 2.049 -8.310 1.00 0.00 C ATOM 0 H PHE A 26 5.313 2.965 -5.261 1.00 0.00 H new ATOM 0 HA PHE A 26 3.847 0.943 -6.369 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.704 3.646 -6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.226 3.435 -7.987 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.834 1.976 -9.529 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.462 3.209 -5.687 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.524 1.464 -10.192 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.848 2.698 -6.348 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.322 1.824 -8.600 1.00 0.00 H new ATOM 393 N ASP A 27 6.502 1.554 -8.151 1.00 0.00 N ATOM 394 CA ASP A 27 7.303 1.082 -9.275 1.00 0.00 C ATOM 395 C ASP A 27 7.901 -0.289 -8.978 1.00 0.00 C ATOM 396 O ASP A 27 7.649 -1.256 -9.697 1.00 0.00 O ATOM 397 CB ASP A 27 8.418 2.082 -9.589 1.00 0.00 C ATOM 398 CG ASP A 27 8.006 3.097 -10.637 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.405 2.690 -11.653 1.00 0.00 O ATOM 400 OD2 ASP A 27 8.285 4.298 -10.441 1.00 0.00 O ATOM 0 H ASP A 27 6.980 2.216 -7.540 1.00 0.00 H new ATOM 0 HA ASP A 27 6.650 0.993 -10.143 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.703 2.603 -8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.299 1.542 -9.936 1.00 0.00 H new ATOM 405 N MET A 28 8.693 -0.366 -7.912 1.00 0.00 N ATOM 406 CA MET A 28 9.325 -1.621 -7.519 1.00 0.00 C ATOM 407 C MET A 28 8.278 -2.697 -7.252 1.00 0.00 C ATOM 408 O MET A 28 8.538 -3.888 -7.426 1.00 0.00 O ATOM 409 CB MET A 28 10.188 -1.413 -6.273 1.00 0.00 C ATOM 410 CG MET A 28 11.300 -0.394 -6.466 1.00 0.00 C ATOM 411 SD MET A 28 12.814 -1.133 -7.107 1.00 0.00 S ATOM 412 CE MET A 28 13.984 0.194 -6.823 1.00 0.00 C ATOM 0 H MET A 28 8.912 0.425 -7.306 1.00 0.00 H new ATOM 0 HA MET A 28 9.959 -1.953 -8.341 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.551 -1.091 -5.449 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.627 -2.367 -5.982 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.961 0.383 -7.151 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.512 0.092 -5.513 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.885 0.016 -7.410 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.538 1.143 -7.122 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.242 0.232 -5.765 1.00 0.00 H new ATOM 422 N PHE A 29 7.091 -2.269 -6.831 1.00 0.00 N ATOM 423 CA PHE A 29 6.001 -3.194 -6.541 1.00 0.00 C ATOM 424 C PHE A 29 5.665 -4.042 -7.764 1.00 0.00 C ATOM 425 O PHE A 29 5.986 -5.230 -7.817 1.00 0.00 O ATOM 426 CB PHE A 29 4.758 -2.422 -6.096 1.00 0.00 C ATOM 427 CG PHE A 29 4.694 -2.177 -4.617 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.831 -3.223 -3.720 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.494 -0.899 -4.123 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.772 -2.997 -2.358 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.434 -0.668 -2.764 1.00 0.00 C ATOM 432 CZ PHE A 29 4.573 -1.718 -1.880 1.00 0.00 C ATOM 0 H PHE A 29 6.860 -1.287 -6.683 1.00 0.00 H new ATOM 0 HA PHE A 29 6.325 -3.855 -5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.732 -1.464 -6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.870 -2.975 -6.402 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.986 -4.226 -4.089 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.384 -0.073 -4.810 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.882 -3.821 -1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.278 0.334 -2.393 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.526 -1.539 -0.816 1.00 0.00 H new ATOM 442 N ASP A 30 5.014 -3.421 -8.742 1.00 0.00 N ATOM 443 CA ASP A 30 4.628 -4.112 -9.965 1.00 0.00 C ATOM 444 C ASP A 30 5.846 -4.667 -10.691 1.00 0.00 C ATOM 445 O ASP A 30 6.742 -3.922 -11.088 1.00 0.00 O ATOM 446 CB ASP A 30 3.859 -3.166 -10.887 1.00 0.00 C ATOM 447 CG ASP A 30 2.422 -2.970 -10.446 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.693 -3.979 -10.336 1.00 0.00 O ATOM 449 OD2 ASP A 30 2.026 -1.810 -10.210 1.00 0.00 O ATOM 0 H ASP A 30 4.743 -2.438 -8.710 1.00 0.00 H new ATOM 0 HA ASP A 30 3.984 -4.947 -9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.363 -2.200 -10.914 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.874 -3.561 -11.903 1.00 0.00 H new ATOM 454 N ALA A 31 5.866 -5.981 -10.865 1.00 0.00 N ATOM 455 CA ALA A 31 6.967 -6.649 -11.548 1.00 0.00 C ATOM 456 C ALA A 31 6.677 -6.784 -13.037 1.00 0.00 C ATOM 457 O ALA A 31 7.511 -6.446 -13.878 1.00 0.00 O ATOM 458 CB ALA A 31 7.214 -8.017 -10.933 1.00 0.00 C ATOM 0 H ALA A 31 5.130 -6.608 -10.542 1.00 0.00 H new ATOM 0 HA ALA A 31 7.864 -6.042 -11.428 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.039 -8.506 -11.452 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.466 -7.902 -9.879 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.315 -8.626 -11.027 1.00 0.00 H new ATOM 464 N ASP A 32 5.486 -7.278 -13.356 1.00 0.00 N ATOM 465 CA ASP A 32 5.075 -7.457 -14.742 1.00 0.00 C ATOM 466 C ASP A 32 4.419 -6.191 -15.279 1.00 0.00 C ATOM 467 O ASP A 32 4.438 -5.931 -16.483 1.00 0.00 O ATOM 468 CB ASP A 32 4.106 -8.636 -14.859 1.00 0.00 C ATOM 469 CG ASP A 32 2.882 -8.466 -13.981 1.00 0.00 C ATOM 470 OD1 ASP A 32 3.019 -7.912 -12.869 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.784 -8.887 -14.405 1.00 0.00 O ATOM 0 H ASP A 32 4.786 -7.562 -12.670 1.00 0.00 H new ATOM 0 HA ASP A 32 5.964 -7.666 -15.337 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.793 -8.744 -15.897 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.622 -9.556 -14.584 1.00 0.00 H new ATOM 497 N ASP A 36 -1.802 -5.650 -10.619 1.00 0.00 N ATOM 498 CA ASP A 36 -1.861 -5.146 -9.250 1.00 0.00 C ATOM 499 C ASP A 36 -0.751 -5.748 -8.393 1.00 0.00 C ATOM 500 O ASP A 36 0.081 -6.512 -8.883 1.00 0.00 O ATOM 501 CB ASP A 36 -3.221 -5.458 -8.625 1.00 0.00 C ATOM 502 CG ASP A 36 -4.307 -4.519 -9.111 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.969 -3.408 -9.572 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.496 -4.893 -9.029 1.00 0.00 O ATOM 0 HA ASP A 36 -1.722 -4.066 -9.287 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.500 -6.485 -8.861 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.144 -5.390 -7.540 1.00 0.00 H new ATOM 509 N ILE A 37 -0.745 -5.393 -7.113 1.00 0.00 N ATOM 510 CA ILE A 37 0.261 -5.891 -6.186 1.00 0.00 C ATOM 511 C ILE A 37 -0.230 -7.137 -5.452 1.00 0.00 C ATOM 512 O ILE A 37 -1.307 -7.136 -4.856 1.00 0.00 O ATOM 513 CB ILE A 37 0.644 -4.807 -5.159 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.332 -3.639 -5.863 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.538 -5.381 -4.069 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.730 -2.522 -4.926 1.00 0.00 C ATOM 0 H ILE A 37 -1.427 -4.761 -6.694 1.00 0.00 H new ATOM 0 HA ILE A 37 1.141 -6.155 -6.773 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.267 -4.443 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.221 -4.007 -6.376 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.664 -3.241 -6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.794 -4.596 -3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.011 -6.183 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.450 -5.776 -4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.213 -1.726 -5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.842 -2.128 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.423 -2.905 -4.177 1.00 0.00 H new ATOM 528 N SER A 38 0.575 -8.192 -5.495 1.00 0.00 N ATOM 529 CA SER A 38 0.237 -9.445 -4.832 1.00 0.00 C ATOM 530 C SER A 38 1.009 -9.585 -3.521 1.00 0.00 C ATOM 531 O SER A 38 1.538 -8.605 -2.996 1.00 0.00 O ATOM 532 CB SER A 38 0.539 -10.630 -5.753 1.00 0.00 C ATOM 533 OG SER A 38 -0.117 -11.804 -5.304 1.00 0.00 O ATOM 0 H SER A 38 1.470 -8.204 -5.984 1.00 0.00 H new ATOM 0 HA SER A 38 -0.829 -9.438 -4.606 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.219 -10.396 -6.768 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.615 -10.802 -5.789 1.00 0.00 H new ATOM 0 HG SER A 38 0.090 -12.546 -5.909 1.00 0.00 H new ATOM 539 N THR A 39 1.069 -10.805 -2.996 1.00 0.00 N ATOM 540 CA THR A 39 1.775 -11.065 -1.745 1.00 0.00 C ATOM 541 C THR A 39 3.279 -10.865 -1.909 1.00 0.00 C ATOM 542 O THR A 39 3.876 -10.011 -1.255 1.00 0.00 O ATOM 543 CB THR A 39 1.489 -12.487 -1.262 1.00 0.00 C ATOM 544 OG1 THR A 39 1.383 -13.379 -2.358 1.00 0.00 O ATOM 545 CG2 THR A 39 0.215 -12.601 -0.453 1.00 0.00 C ATOM 0 H THR A 39 0.638 -11.628 -3.416 1.00 0.00 H new ATOM 0 HA THR A 39 1.414 -10.354 -1.002 1.00 0.00 H new ATOM 0 HB THR A 39 2.331 -12.747 -0.621 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.202 -14.284 -2.027 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.073 -13.636 -0.142 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.285 -11.964 0.428 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.632 -12.285 -1.062 1.00 0.00 H new ATOM 553 N LYS A 40 3.887 -11.663 -2.782 1.00 0.00 N ATOM 554 CA LYS A 40 5.323 -11.580 -3.028 1.00 0.00 C ATOM 555 C LYS A 40 5.737 -10.168 -3.432 1.00 0.00 C ATOM 556 O LYS A 40 6.827 -9.709 -3.090 1.00 0.00 O ATOM 557 CB LYS A 40 5.730 -12.572 -4.120 1.00 0.00 C ATOM 558 CG LYS A 40 4.879 -12.476 -5.375 1.00 0.00 C ATOM 559 CD LYS A 40 5.595 -11.711 -6.477 1.00 0.00 C ATOM 560 CE LYS A 40 5.045 -12.065 -7.850 1.00 0.00 C ATOM 561 NZ LYS A 40 5.471 -11.087 -8.888 1.00 0.00 N ATOM 0 H LYS A 40 3.407 -12.375 -3.332 1.00 0.00 H new ATOM 0 HA LYS A 40 5.835 -11.833 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.774 -12.401 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.664 -13.585 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.633 -13.478 -5.727 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.937 -11.981 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.488 -10.640 -6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.661 -11.934 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.383 -13.062 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.956 -12.098 -7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.147 -11.409 -9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.056 -10.156 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.508 -11.011 -8.889 1.00 0.00 H new ATOM 575 N GLU A 41 4.862 -9.484 -4.162 1.00 0.00 N ATOM 576 CA GLU A 41 5.140 -8.125 -4.614 1.00 0.00 C ATOM 577 C GLU A 41 5.409 -7.193 -3.435 1.00 0.00 C ATOM 578 O GLU A 41 6.096 -6.181 -3.578 1.00 0.00 O ATOM 579 CB GLU A 41 3.968 -7.591 -5.439 1.00 0.00 C ATOM 580 CG GLU A 41 3.924 -8.139 -6.857 1.00 0.00 C ATOM 581 CD GLU A 41 3.925 -7.046 -7.908 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.137 -6.088 -7.769 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.714 -7.150 -8.871 1.00 0.00 O ATOM 0 H GLU A 41 3.955 -9.848 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 41 6.035 -8.157 -5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.035 -7.839 -4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.029 -6.503 -5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.782 -8.791 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.031 -8.752 -6.977 1.00 0.00 H new ATOM 590 N LEU A 42 4.863 -7.535 -2.273 1.00 0.00 N ATOM 591 CA LEU A 42 5.045 -6.719 -1.078 1.00 0.00 C ATOM 592 C LEU A 42 6.383 -7.015 -0.406 1.00 0.00 C ATOM 593 O LEU A 42 7.205 -6.119 -0.217 1.00 0.00 O ATOM 594 CB LEU A 42 3.896 -6.952 -0.094 1.00 0.00 C ATOM 595 CG LEU A 42 2.982 -5.746 0.127 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.775 -4.559 0.652 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.265 -5.379 -1.162 1.00 0.00 C ATOM 0 H LEU A 42 4.293 -8.369 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 42 5.044 -5.672 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.293 -7.786 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.315 -7.253 0.866 1.00 0.00 H new ATOM 0 HG LEU A 42 2.235 -6.015 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.106 -3.712 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.243 -4.825 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.546 -4.289 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.619 -4.519 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.999 -5.131 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.662 -6.223 -1.496 1.00 0.00 H new ATOM 609 N GLY A 43 6.593 -8.278 -0.044 1.00 0.00 N ATOM 610 CA GLY A 43 7.832 -8.668 0.607 1.00 0.00 C ATOM 611 C GLY A 43 9.063 -8.138 -0.104 1.00 0.00 C ATOM 612 O GLY A 43 10.100 -7.917 0.518 1.00 0.00 O ATOM 0 H GLY A 43 5.928 -9.038 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.827 -8.304 1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.885 -9.756 0.654 1.00 0.00 H new ATOM 616 N THR A 44 8.947 -7.932 -1.410 1.00 0.00 N ATOM 617 CA THR A 44 10.057 -7.426 -2.211 1.00 0.00 C ATOM 618 C THR A 44 10.531 -6.067 -1.695 1.00 0.00 C ATOM 619 O THR A 44 11.549 -5.969 -1.009 1.00 0.00 O ATOM 620 CB THR A 44 9.634 -7.324 -3.684 1.00 0.00 C ATOM 621 OG1 THR A 44 9.800 -8.570 -4.338 1.00 0.00 O ATOM 622 CG2 THR A 44 10.406 -6.286 -4.478 1.00 0.00 C ATOM 0 H THR A 44 8.093 -8.108 -1.939 1.00 0.00 H new ATOM 0 HA THR A 44 10.890 -8.124 -2.128 1.00 0.00 H new ATOM 0 HB THR A 44 8.588 -7.020 -3.654 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.524 -8.487 -5.275 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.048 -6.276 -5.508 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.257 -5.302 -4.032 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.467 -6.534 -4.465 1.00 0.00 H new ATOM 630 N VAL A 45 9.788 -5.025 -2.045 1.00 0.00 N ATOM 631 CA VAL A 45 10.120 -3.665 -1.642 1.00 0.00 C ATOM 632 C VAL A 45 10.134 -3.510 -0.125 1.00 0.00 C ATOM 633 O VAL A 45 10.868 -2.686 0.418 1.00 0.00 O ATOM 634 CB VAL A 45 9.115 -2.664 -2.242 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.695 -3.047 -1.851 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.437 -1.241 -1.810 1.00 0.00 C ATOM 0 H VAL A 45 8.944 -5.098 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 45 11.121 -3.456 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 45 9.195 -2.703 -3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.994 -2.332 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.471 -4.046 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.602 -3.038 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.712 -0.555 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.392 -1.172 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.438 -0.976 -2.149 1.00 0.00 H new ATOM 646 N MET A 46 9.309 -4.293 0.557 1.00 0.00 N ATOM 647 CA MET A 46 9.219 -4.225 2.010 1.00 0.00 C ATOM 648 C MET A 46 10.462 -4.807 2.678 1.00 0.00 C ATOM 649 O MET A 46 10.871 -4.348 3.745 1.00 0.00 O ATOM 650 CB MET A 46 7.967 -4.958 2.491 1.00 0.00 C ATOM 651 CG MET A 46 6.698 -4.130 2.365 1.00 0.00 C ATOM 652 SD MET A 46 5.834 -3.920 3.934 1.00 0.00 S ATOM 653 CE MET A 46 6.406 -2.296 4.426 1.00 0.00 C ATOM 0 H MET A 46 8.692 -4.983 0.128 1.00 0.00 H new ATOM 0 HA MET A 46 9.153 -3.175 2.293 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.850 -5.878 1.918 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.102 -5.247 3.533 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.949 -3.149 1.961 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.029 -4.608 1.649 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.328 -2.195 5.509 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.446 -2.169 4.124 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.793 -1.533 3.946 1.00 0.00 H new ATOM 663 N ARG A 47 11.059 -5.818 2.054 1.00 0.00 N ATOM 664 CA ARG A 47 12.252 -6.456 2.606 1.00 0.00 C ATOM 665 C ARG A 47 13.523 -5.707 2.213 1.00 0.00 C ATOM 666 O ARG A 47 14.528 -5.764 2.922 1.00 0.00 O ATOM 667 CB ARG A 47 12.345 -7.910 2.140 1.00 0.00 C ATOM 668 CG ARG A 47 11.315 -8.824 2.783 1.00 0.00 C ATOM 669 CD ARG A 47 11.282 -10.187 2.110 1.00 0.00 C ATOM 670 NE ARG A 47 10.312 -11.082 2.735 1.00 0.00 N ATOM 671 CZ ARG A 47 10.325 -12.405 2.594 1.00 0.00 C ATOM 672 NH1 ARG A 47 11.258 -12.991 1.852 1.00 0.00 N ATOM 673 NH2 ARG A 47 9.405 -13.145 3.197 1.00 0.00 N ATOM 0 H ARG A 47 10.739 -6.213 1.170 1.00 0.00 H new ATOM 0 HA ARG A 47 12.163 -6.429 3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.223 -7.944 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.343 -8.290 2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.545 -8.945 3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.329 -8.363 2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.035 -10.065 1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.273 -10.638 2.155 1.00 0.00 H new ATOM 0 HE ARG A 47 9.581 -10.668 3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.969 -12.426 1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.263 -14.006 1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.687 -12.700 3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.415 -14.159 3.089 1.00 0.00 H new ATOM 687 N MET A 48 13.480 -5.014 1.080 1.00 0.00 N ATOM 688 CA MET A 48 14.639 -4.267 0.602 1.00 0.00 C ATOM 689 C MET A 48 14.595 -2.809 1.057 1.00 0.00 C ATOM 690 O MET A 48 15.388 -1.988 0.596 1.00 0.00 O ATOM 691 CB MET A 48 14.720 -4.334 -0.924 1.00 0.00 C ATOM 692 CG MET A 48 13.522 -3.714 -1.624 1.00 0.00 C ATOM 693 SD MET A 48 13.995 -2.603 -2.963 1.00 0.00 S ATOM 694 CE MET A 48 12.633 -1.442 -2.932 1.00 0.00 C ATOM 0 H MET A 48 12.659 -4.954 0.478 1.00 0.00 H new ATOM 0 HA MET A 48 15.528 -4.727 1.032 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.626 -3.826 -1.254 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.809 -5.376 -1.229 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.889 -4.507 -2.022 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.925 -3.165 -0.896 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.752 -0.720 -3.740 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.694 -1.980 -3.061 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.623 -0.918 -1.976 1.00 0.00 H new ATOM 704 N LEU A 49 13.672 -2.490 1.960 1.00 0.00 N ATOM 705 CA LEU A 49 13.544 -1.127 2.464 1.00 0.00 C ATOM 706 C LEU A 49 13.758 -1.078 3.973 1.00 0.00 C ATOM 707 O LEU A 49 14.414 -0.173 4.487 1.00 0.00 O ATOM 708 CB LEU A 49 12.168 -0.555 2.113 1.00 0.00 C ATOM 709 CG LEU A 49 12.020 -0.054 0.675 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.674 0.630 0.486 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.156 0.894 0.317 1.00 0.00 C ATOM 0 H LEU A 49 13.005 -3.153 2.356 1.00 0.00 H new ATOM 0 HA LEU A 49 14.314 -0.520 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.416 -1.323 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.950 0.269 2.792 1.00 0.00 H new ATOM 0 HG LEU A 49 12.068 -0.913 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.585 0.980 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.873 -0.078 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.598 1.478 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.032 1.239 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.142 1.750 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.109 0.373 0.412 1.00 0.00 H new ATOM 723 N GLY A 50 13.203 -2.058 4.679 1.00 0.00 N ATOM 724 CA GLY A 50 13.350 -2.103 6.123 1.00 0.00 C ATOM 725 C GLY A 50 12.400 -3.087 6.777 1.00 0.00 C ATOM 726 O GLY A 50 12.773 -3.789 7.716 1.00 0.00 O ATOM 0 H GLY A 50 12.656 -2.820 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.376 -2.375 6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.175 -1.108 6.533 1.00 0.00 H new ATOM 730 N GLN A 51 11.168 -3.139 6.281 1.00 0.00 N ATOM 731 CA GLN A 51 10.162 -4.044 6.827 1.00 0.00 C ATOM 732 C GLN A 51 10.528 -5.497 6.537 1.00 0.00 C ATOM 733 O GLN A 51 11.337 -5.779 5.655 1.00 0.00 O ATOM 734 CB GLN A 51 8.785 -3.723 6.242 1.00 0.00 C ATOM 735 CG GLN A 51 7.671 -3.723 7.277 1.00 0.00 C ATOM 736 CD GLN A 51 7.727 -2.517 8.194 1.00 0.00 C ATOM 737 OE1 GLN A 51 7.739 -2.653 9.417 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.762 -1.326 7.605 1.00 0.00 N ATOM 0 H GLN A 51 10.842 -2.566 5.503 1.00 0.00 H new ATOM 0 HA GLN A 51 10.129 -3.905 7.908 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.823 -2.746 5.760 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.550 -4.452 5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.707 -3.743 6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.735 -4.632 7.874 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.750 -1.260 6.587 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.801 -0.478 8.171 1.00 0.00 H new ATOM 747 N ASN A 52 9.927 -6.415 7.285 1.00 0.00 N ATOM 748 CA ASN A 52 10.195 -7.836 7.101 1.00 0.00 C ATOM 749 C ASN A 52 8.937 -8.673 7.327 1.00 0.00 C ATOM 750 O ASN A 52 8.966 -9.666 8.056 1.00 0.00 O ATOM 751 CB ASN A 52 11.301 -8.289 8.053 1.00 0.00 C ATOM 752 CG ASN A 52 11.960 -9.578 7.601 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.629 -9.616 6.567 1.00 0.00 O ATOM 754 ND2 ASN A 52 11.774 -10.641 8.374 1.00 0.00 N ATOM 0 H ASN A 52 9.254 -6.202 8.021 1.00 0.00 H new ATOM 0 HA ASN A 52 10.520 -7.986 6.071 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.055 -7.506 8.129 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.884 -8.428 9.051 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.193 -11.536 8.120 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.212 -10.563 9.222 1.00 0.00 H new ATOM 761 N PRO A 53 7.810 -8.289 6.703 1.00 0.00 N ATOM 762 CA PRO A 53 6.548 -9.018 6.844 1.00 0.00 C ATOM 763 C PRO A 53 6.533 -10.309 6.031 1.00 0.00 C ATOM 764 O PRO A 53 6.451 -10.279 4.804 1.00 0.00 O ATOM 765 CB PRO A 53 5.516 -8.031 6.300 1.00 0.00 C ATOM 766 CG PRO A 53 6.265 -7.229 5.293 1.00 0.00 C ATOM 767 CD PRO A 53 7.676 -7.119 5.810 1.00 0.00 C ATOM 0 HA PRO A 53 6.364 -9.329 7.872 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.671 -8.549 5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.114 -7.399 7.092 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.245 -7.713 4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.817 -6.243 5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.404 -7.148 4.999 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.835 -6.184 6.347 1.00 0.00 H new ATOM 775 N THR A 54 6.612 -11.441 6.724 1.00 0.00 N ATOM 776 CA THR A 54 6.607 -12.741 6.063 1.00 0.00 C ATOM 777 C THR A 54 5.279 -12.984 5.355 1.00 0.00 C ATOM 778 O THR A 54 4.345 -12.191 5.477 1.00 0.00 O ATOM 779 CB THR A 54 6.874 -13.854 7.080 1.00 0.00 C ATOM 780 OG1 THR A 54 6.795 -15.129 6.464 1.00 0.00 O ATOM 781 CG2 THR A 54 5.909 -13.843 8.248 1.00 0.00 C ATOM 0 H THR A 54 6.680 -11.484 7.741 1.00 0.00 H new ATOM 0 HA THR A 54 7.400 -12.747 5.316 1.00 0.00 H new ATOM 0 HB THR A 54 7.878 -13.663 7.459 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.970 -15.826 7.130 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.154 -14.657 8.930 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.986 -12.892 8.775 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.891 -13.972 7.880 1.00 0.00 H new ATOM 789 N LYS A 55 5.199 -14.084 4.612 1.00 0.00 N ATOM 790 CA LYS A 55 3.984 -14.431 3.880 1.00 0.00 C ATOM 791 C LYS A 55 2.758 -14.372 4.787 1.00 0.00 C ATOM 792 O LYS A 55 1.684 -13.940 4.369 1.00 0.00 O ATOM 793 CB LYS A 55 4.113 -15.829 3.271 1.00 0.00 C ATOM 794 CG LYS A 55 4.714 -15.830 1.875 1.00 0.00 C ATOM 795 CD LYS A 55 3.642 -15.681 0.807 1.00 0.00 C ATOM 796 CE LYS A 55 4.113 -14.795 -0.335 1.00 0.00 C ATOM 797 NZ LYS A 55 4.452 -13.422 0.131 1.00 0.00 N ATOM 0 H LYS A 55 5.962 -14.752 4.501 1.00 0.00 H new ATOM 0 HA LYS A 55 3.855 -13.701 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.731 -16.445 3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.127 -16.293 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.433 -15.015 1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.263 -16.758 1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.374 -16.664 0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.741 -15.257 1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.987 -15.244 -0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.334 -14.738 -1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.438 -12.768 -0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.755 -13.113 0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.400 -13.425 0.558 1.00 0.00 H new ATOM 811 N CYS A 56 2.926 -14.807 6.032 1.00 0.00 N ATOM 812 CA CYS A 56 1.832 -14.803 6.997 1.00 0.00 C ATOM 813 C CYS A 56 1.453 -13.376 7.384 1.00 0.00 C ATOM 814 O CYS A 56 0.292 -13.090 7.677 1.00 0.00 O ATOM 815 CB CYS A 56 2.224 -15.595 8.246 1.00 0.00 C ATOM 816 SG CYS A 56 2.453 -17.364 7.953 1.00 0.00 S ATOM 0 H CYS A 56 3.808 -15.166 6.396 1.00 0.00 H new ATOM 0 HA CYS A 56 0.967 -15.276 6.531 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.148 -15.182 8.651 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.454 -15.460 9.006 1.00 0.00 H new ATOM 0 HG CYS A 56 2.785 -17.949 9.066 1.00 0.00 H new ATOM 822 N GLU A 57 2.440 -12.487 7.385 1.00 0.00 N ATOM 823 CA GLU A 57 2.212 -11.090 7.737 1.00 0.00 C ATOM 824 C GLU A 57 1.450 -10.367 6.633 1.00 0.00 C ATOM 825 O GLU A 57 0.406 -9.761 6.877 1.00 0.00 O ATOM 826 CB GLU A 57 3.545 -10.382 7.986 1.00 0.00 C ATOM 827 CG GLU A 57 4.363 -11.004 9.105 1.00 0.00 C ATOM 828 CD GLU A 57 3.847 -10.632 10.480 1.00 0.00 C ATOM 829 OE1 GLU A 57 2.646 -10.305 10.596 1.00 0.00 O ATOM 830 OE2 GLU A 57 4.641 -10.668 11.443 1.00 0.00 O ATOM 0 H GLU A 57 3.406 -12.709 7.146 1.00 0.00 H new ATOM 0 HA GLU A 57 1.614 -11.067 8.648 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.132 -10.396 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.352 -9.336 8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.352 -12.089 8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.401 -10.685 9.012 1.00 0.00 H new ATOM 837 N LEU A 58 1.985 -10.431 5.422 1.00 0.00 N ATOM 838 CA LEU A 58 1.366 -9.779 4.275 1.00 0.00 C ATOM 839 C LEU A 58 0.029 -10.429 3.928 1.00 0.00 C ATOM 840 O LEU A 58 -0.867 -9.777 3.392 1.00 0.00 O ATOM 841 CB LEU A 58 2.310 -9.828 3.071 1.00 0.00 C ATOM 842 CG LEU A 58 3.764 -9.458 3.378 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.714 -10.227 2.472 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.977 -7.958 3.225 1.00 0.00 C ATOM 0 H LEU A 58 2.849 -10.929 5.207 1.00 0.00 H new ATOM 0 HA LEU A 58 1.176 -8.738 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.287 -10.833 2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.932 -9.152 2.304 1.00 0.00 H new ATOM 0 HG LEU A 58 3.977 -9.732 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.742 -9.951 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.581 -11.297 2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.500 -9.985 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.016 -7.713 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.745 -7.660 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.323 -7.425 3.916 1.00 0.00 H new ATOM 856 N ASP A 59 -0.105 -11.714 4.244 1.00 0.00 N ATOM 857 CA ASP A 59 -1.341 -12.442 3.970 1.00 0.00 C ATOM 858 C ASP A 59 -2.467 -11.954 4.871 1.00 0.00 C ATOM 859 O ASP A 59 -3.643 -12.071 4.527 1.00 0.00 O ATOM 860 CB ASP A 59 -1.131 -13.945 4.163 1.00 0.00 C ATOM 861 CG ASP A 59 -0.548 -14.609 2.930 1.00 0.00 C ATOM 862 OD1 ASP A 59 -0.894 -14.184 1.808 1.00 0.00 O ATOM 863 OD2 ASP A 59 0.254 -15.554 3.089 1.00 0.00 O ATOM 0 H ASP A 59 0.624 -12.272 4.689 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.620 -12.255 2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.466 -14.111 5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.084 -14.414 4.409 1.00 0.00 H new ATOM 868 N ALA A 60 -2.104 -11.400 6.022 1.00 0.00 N ATOM 869 CA ALA A 60 -3.091 -10.892 6.960 1.00 0.00 C ATOM 870 C ALA A 60 -3.600 -9.525 6.521 1.00 0.00 C ATOM 871 O ALA A 60 -4.747 -9.163 6.786 1.00 0.00 O ATOM 872 CB ALA A 60 -2.506 -10.820 8.362 1.00 0.00 C ATOM 0 H ALA A 60 -1.136 -11.293 6.325 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.936 -11.581 6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.259 -10.437 9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.197 -11.816 8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.643 -10.155 8.362 1.00 0.00 H new ATOM 878 N ILE A 61 -2.742 -8.770 5.841 1.00 0.00 N ATOM 879 CA ILE A 61 -3.102 -7.450 5.358 1.00 0.00 C ATOM 880 C ILE A 61 -3.870 -7.553 4.041 1.00 0.00 C ATOM 881 O ILE A 61 -5.007 -7.094 3.940 1.00 0.00 O ATOM 882 CB ILE A 61 -1.846 -6.568 5.173 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.302 -6.130 6.533 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.153 -5.355 4.311 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.550 -7.219 7.265 1.00 0.00 C ATOM 0 H ILE A 61 -1.790 -9.056 5.614 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.744 -6.982 6.104 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.086 -7.161 4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.640 -5.275 6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.131 -5.792 7.155 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.252 -4.752 4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.496 -5.683 3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.931 -4.758 4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.194 -6.836 8.221 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.214 -8.066 7.438 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.300 -7.541 6.664 1.00 0.00 H new ATOM 897 N ILE A 62 -3.244 -8.167 3.037 1.00 0.00 N ATOM 898 CA ILE A 62 -3.873 -8.338 1.728 1.00 0.00 C ATOM 899 C ILE A 62 -5.312 -8.827 1.874 1.00 0.00 C ATOM 900 O ILE A 62 -6.223 -8.307 1.229 1.00 0.00 O ATOM 901 CB ILE A 62 -3.086 -9.333 0.850 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.697 -8.773 0.541 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.846 -9.633 -0.440 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.887 -9.644 -0.394 1.00 0.00 C ATOM 0 H ILE A 62 -2.303 -8.554 3.105 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.870 -7.362 1.243 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.972 -10.268 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.804 -7.782 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.149 -8.649 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.273 -10.337 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.816 -10.068 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.992 -8.709 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.086 -9.184 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.749 -10.628 0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.414 -9.748 -1.342 1.00 0.00 H new ATOM 916 N CYS A 63 -5.509 -9.824 2.731 1.00 0.00 N ATOM 917 CA CYS A 63 -6.837 -10.375 2.969 1.00 0.00 C ATOM 918 C CYS A 63 -7.806 -9.270 3.374 1.00 0.00 C ATOM 919 O CYS A 63 -8.940 -9.217 2.897 1.00 0.00 O ATOM 920 CB CYS A 63 -6.777 -11.451 4.055 1.00 0.00 C ATOM 921 SG CYS A 63 -8.097 -12.682 3.946 1.00 0.00 S ATOM 0 H CYS A 63 -4.766 -10.266 3.272 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.195 -10.830 2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.815 -11.959 3.995 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.823 -10.970 5.032 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.961 -13.550 4.904 1.00 0.00 H new ATOM 927 N GLU A 64 -7.342 -8.379 4.244 1.00 0.00 N ATOM 928 CA GLU A 64 -8.156 -7.260 4.698 1.00 0.00 C ATOM 929 C GLU A 64 -8.210 -6.184 3.621 1.00 0.00 C ATOM 930 O GLU A 64 -9.215 -5.491 3.465 1.00 0.00 O ATOM 931 CB GLU A 64 -7.592 -6.679 5.996 1.00 0.00 C ATOM 932 CG GLU A 64 -7.893 -7.524 7.223 1.00 0.00 C ATOM 933 CD GLU A 64 -6.971 -7.215 8.385 1.00 0.00 C ATOM 934 OE1 GLU A 64 -7.227 -6.223 9.100 1.00 0.00 O ATOM 935 OE2 GLU A 64 -5.993 -7.965 8.582 1.00 0.00 O ATOM 0 H GLU A 64 -6.406 -8.411 4.648 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.167 -7.620 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.512 -6.570 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.001 -5.679 6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.926 -7.358 7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.803 -8.579 6.964 1.00 0.00 H new ATOM 942 N VAL A 65 -7.117 -6.062 2.871 1.00 0.00 N ATOM 943 CA VAL A 65 -7.027 -5.086 1.795 1.00 0.00 C ATOM 944 C VAL A 65 -8.026 -5.417 0.690 1.00 0.00 C ATOM 945 O VAL A 65 -8.693 -4.533 0.152 1.00 0.00 O ATOM 946 CB VAL A 65 -5.603 -5.048 1.195 1.00 0.00 C ATOM 947 CG1 VAL A 65 -5.565 -4.207 -0.074 1.00 0.00 C ATOM 948 CG2 VAL A 65 -4.604 -4.525 2.219 1.00 0.00 C ATOM 0 H VAL A 65 -6.279 -6.631 2.992 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.259 -4.108 2.218 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.322 -6.067 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.551 -4.198 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.243 -4.633 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.873 -3.187 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.607 -4.506 1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.887 -3.517 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.602 -5.178 3.092 1.00 0.00 H new ATOM 958 N ASP A 66 -8.116 -6.698 0.356 1.00 0.00 N ATOM 959 CA ASP A 66 -9.023 -7.158 -0.686 1.00 0.00 C ATOM 960 C ASP A 66 -10.412 -7.436 -0.123 1.00 0.00 C ATOM 961 O ASP A 66 -10.656 -8.491 0.463 1.00 0.00 O ATOM 962 CB ASP A 66 -8.466 -8.420 -1.347 1.00 0.00 C ATOM 963 CG ASP A 66 -7.275 -8.125 -2.237 1.00 0.00 C ATOM 964 OD1 ASP A 66 -6.246 -7.647 -1.713 1.00 0.00 O ATOM 965 OD2 ASP A 66 -7.370 -8.371 -3.457 1.00 0.00 O ATOM 0 H ASP A 66 -7.569 -7.439 0.794 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.110 -6.368 -1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.173 -9.132 -0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.250 -8.894 -1.938 1.00 0.00 H new ATOM 970 N GLU A 67 -11.322 -6.485 -0.308 1.00 0.00 N ATOM 971 CA GLU A 67 -12.689 -6.630 0.177 1.00 0.00 C ATOM 972 C GLU A 67 -13.459 -7.638 -0.670 1.00 0.00 C ATOM 973 O GLU A 67 -14.390 -8.284 -0.191 1.00 0.00 O ATOM 974 CB GLU A 67 -13.405 -5.278 0.159 1.00 0.00 C ATOM 975 CG GLU A 67 -13.244 -4.488 1.446 1.00 0.00 C ATOM 976 CD GLU A 67 -14.293 -4.840 2.482 1.00 0.00 C ATOM 977 OE1 GLU A 67 -14.591 -6.042 2.639 1.00 0.00 O ATOM 978 OE2 GLU A 67 -14.817 -3.914 3.135 1.00 0.00 O ATOM 0 H GLU A 67 -11.137 -5.606 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.649 -6.997 1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.023 -4.685 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.467 -5.441 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.253 -4.674 1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.302 -3.423 1.223 1.00 0.00 H new ATOM 985 N ASP A 68 -13.061 -7.767 -1.932 1.00 0.00 N ATOM 986 CA ASP A 68 -13.710 -8.696 -2.850 1.00 0.00 C ATOM 987 C ASP A 68 -13.135 -10.102 -2.702 1.00 0.00 C ATOM 988 O ASP A 68 -13.818 -11.092 -2.965 1.00 0.00 O ATOM 989 CB ASP A 68 -13.548 -8.214 -4.293 1.00 0.00 C ATOM 990 CG ASP A 68 -12.095 -8.164 -4.726 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.392 -7.205 -4.341 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.660 -9.083 -5.452 1.00 0.00 O ATOM 0 H ASP A 68 -12.291 -7.239 -2.342 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.771 -8.731 -2.602 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.100 -8.877 -4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.989 -7.222 -4.394 1.00 0.00 H new ATOM 997 N GLY A 69 -11.876 -10.182 -2.286 1.00 0.00 N ATOM 998 CA GLY A 69 -11.231 -11.471 -2.116 1.00 0.00 C ATOM 999 C GLY A 69 -10.489 -11.913 -3.362 1.00 0.00 C ATOM 1000 O GLY A 69 -10.713 -13.010 -3.870 1.00 0.00 O ATOM 0 H GLY A 69 -11.290 -9.377 -2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.533 -11.418 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.981 -12.219 -1.858 1.00 0.00 H new ATOM 1004 N SER A 70 -9.608 -11.050 -3.856 1.00 0.00 N ATOM 1005 CA SER A 70 -8.832 -11.349 -5.054 1.00 0.00 C ATOM 1006 C SER A 70 -7.357 -11.551 -4.722 1.00 0.00 C ATOM 1007 O SER A 70 -6.632 -12.222 -5.456 1.00 0.00 O ATOM 1008 CB SER A 70 -8.980 -10.217 -6.074 1.00 0.00 C ATOM 1009 OG SER A 70 -9.168 -8.969 -5.427 1.00 0.00 O ATOM 0 H SER A 70 -9.413 -10.137 -3.445 1.00 0.00 H new ATOM 0 HA SER A 70 -9.218 -12.275 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.092 -10.173 -6.705 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.827 -10.422 -6.729 1.00 0.00 H new ATOM 0 HG SER A 70 -10.001 -8.560 -5.741 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.913 -10.958 -3.617 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.522 -11.079 -3.220 1.00 0.00 C ATOM 1017 C GLY A 71 -4.636 -10.043 -3.886 1.00 0.00 C ATOM 1018 O GLY A 71 -3.458 -9.919 -3.553 1.00 0.00 O ATOM 0 H GLY A 71 -7.491 -10.397 -2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.446 -10.976 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.161 -12.076 -3.471 1.00 0.00 H new ATOM 1022 N THR A 72 -5.204 -9.293 -4.830 1.00 0.00 N ATOM 1023 CA THR A 72 -4.456 -8.264 -5.540 1.00 0.00 C ATOM 1024 C THR A 72 -4.847 -6.874 -5.045 1.00 0.00 C ATOM 1025 O THR A 72 -5.974 -6.655 -4.603 1.00 0.00 O ATOM 1026 CB THR A 72 -4.704 -8.371 -7.046 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.959 -7.814 -7.390 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.677 -9.795 -7.559 1.00 0.00 C ATOM 0 H THR A 72 -6.178 -9.381 -5.118 1.00 0.00 H new ATOM 0 HA THR A 72 -3.395 -8.417 -5.343 1.00 0.00 H new ATOM 0 HB THR A 72 -3.887 -7.819 -7.511 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.097 -7.891 -8.357 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.860 -9.798 -8.634 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.701 -10.237 -7.356 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.450 -10.377 -7.058 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.904 -5.941 -5.117 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.145 -4.574 -4.670 1.00 0.00 C ATOM 1038 C ILE A 73 -4.258 -3.613 -5.850 1.00 0.00 C ATOM 1039 O ILE A 73 -3.292 -3.397 -6.583 1.00 0.00 O ATOM 1040 CB ILE A 73 -3.021 -4.092 -3.736 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.796 -5.100 -2.606 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.353 -2.719 -3.168 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.514 -4.869 -1.837 1.00 0.00 C ATOM 0 H ILE A 73 -2.966 -6.106 -5.481 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.090 -4.580 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.101 -4.012 -4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.638 -5.053 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.783 -6.106 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.548 -2.393 -2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.466 -2.005 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.284 -2.774 -2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.420 -5.620 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.664 -4.945 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.533 -3.876 -1.389 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.442 -3.032 -6.025 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.680 -2.090 -7.113 1.00 0.00 C ATOM 1057 C ASP A 74 -4.869 -0.812 -6.914 1.00 0.00 C ATOM 1058 O ASP A 74 -4.054 -0.719 -5.996 1.00 0.00 O ATOM 1059 CB ASP A 74 -7.169 -1.755 -7.209 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.657 -1.699 -8.643 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -7.350 -2.636 -9.411 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -8.345 -0.719 -8.999 1.00 0.00 O ATOM 0 H ASP A 74 -6.251 -3.198 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.361 -2.559 -8.043 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.743 -2.503 -6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.355 -0.795 -6.727 1.00 0.00 H new ATOM 1067 N PHE A 75 -5.100 0.170 -7.780 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.391 1.443 -7.700 1.00 0.00 C ATOM 1069 C PHE A 75 -4.650 2.124 -6.359 1.00 0.00 C ATOM 1070 O PHE A 75 -3.809 2.086 -5.461 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.814 2.361 -8.850 1.00 0.00 C ATOM 1072 CG PHE A 75 -3.685 2.724 -9.771 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -3.119 1.771 -10.603 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -3.189 4.018 -9.805 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -2.080 2.102 -11.452 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -2.150 4.354 -10.652 1.00 0.00 C ATOM 1077 CZ PHE A 75 -1.595 3.395 -11.476 1.00 0.00 C ATOM 0 H PHE A 75 -5.772 0.109 -8.545 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.323 1.244 -7.783 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.599 1.871 -9.426 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.244 3.274 -8.437 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.494 0.758 -10.588 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.619 4.772 -9.162 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.648 1.350 -12.096 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.772 5.366 -10.669 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.783 3.656 -12.138 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.819 2.744 -6.230 1.00 0.00 N ATOM 1088 CA GLU A 76 -6.186 3.428 -4.996 1.00 0.00 C ATOM 1089 C GLU A 76 -6.228 2.452 -3.825 1.00 0.00 C ATOM 1090 O GLU A 76 -6.034 2.837 -2.673 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.546 4.111 -5.146 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.637 5.034 -6.349 1.00 0.00 C ATOM 1093 CD GLU A 76 -7.398 6.489 -5.990 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -7.047 6.763 -4.822 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -7.561 7.353 -6.876 1.00 0.00 O ATOM 0 H GLU A 76 -6.527 2.787 -6.963 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.427 4.184 -4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.319 3.347 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.756 4.684 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.906 4.724 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.622 4.934 -6.805 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.489 1.184 -4.131 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.563 0.148 -3.107 1.00 0.00 C ATOM 1104 C GLU A 77 -5.310 0.140 -2.234 1.00 0.00 C ATOM 1105 O GLU A 77 -5.351 -0.303 -1.088 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.758 -1.226 -3.756 1.00 0.00 C ATOM 1107 CG GLU A 77 -8.154 -1.793 -3.563 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.292 -3.206 -4.101 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.307 -3.970 -4.023 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -9.384 -3.548 -4.600 1.00 0.00 O ATOM 0 H GLU A 77 -6.653 0.850 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.419 0.369 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.550 -1.148 -4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.030 -1.923 -3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.400 -1.787 -2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.876 -1.147 -4.061 1.00 0.00 H new ATOM 1117 N PHE A 78 -4.199 0.629 -2.781 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.940 0.673 -2.044 1.00 0.00 C ATOM 1119 C PHE A 78 -3.004 1.675 -0.892 1.00 0.00 C ATOM 1120 O PHE A 78 -2.163 1.651 0.007 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.783 1.026 -2.980 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.434 0.746 -2.381 1.00 0.00 C ATOM 1123 CD1 PHE A 78 -0.098 -0.534 -1.973 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.493 1.762 -2.222 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.139 -0.796 -1.417 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.732 1.506 -1.666 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.055 0.226 -1.262 1.00 0.00 C ATOM 0 H PHE A 78 -4.146 0.999 -3.730 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.769 -0.318 -1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.887 0.461 -3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.845 2.082 -3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.811 -1.336 -2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.245 2.765 -2.536 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.390 -1.799 -1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.447 2.307 -1.548 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.022 0.024 -0.826 1.00 0.00 H new ATOM 1137 N LEU A 79 -4.003 2.549 -0.916 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.170 3.541 0.138 1.00 0.00 C ATOM 1139 C LEU A 79 -5.153 3.040 1.190 1.00 0.00 C ATOM 1140 O LEU A 79 -4.926 3.198 2.390 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.652 4.871 -0.445 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.726 5.491 -1.496 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.306 5.312 -2.892 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.487 6.967 -1.200 1.00 0.00 C ATOM 0 H LEU A 79 -4.708 2.591 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.202 3.702 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.634 4.720 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.779 5.583 0.370 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.767 4.975 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.634 5.759 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.420 4.249 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.279 5.800 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.827 7.388 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.438 7.499 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.025 7.071 -0.218 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.242 2.430 0.733 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.254 1.901 1.638 1.00 0.00 C ATOM 1158 C VAL A 80 -6.696 0.740 2.454 1.00 0.00 C ATOM 1159 O VAL A 80 -7.064 0.547 3.612 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.512 1.435 0.875 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -8.255 0.131 0.134 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -9.689 1.293 1.828 1.00 0.00 C ATOM 0 H VAL A 80 -6.445 2.290 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.538 2.711 2.310 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.758 2.194 0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.159 -0.172 -0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.447 0.273 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.975 -0.644 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.568 0.964 1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.448 0.559 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.895 2.255 2.297 1.00 0.00 H new ATOM 1172 N MET A 81 -5.798 -0.024 1.839 1.00 0.00 N ATOM 1173 CA MET A 81 -5.174 -1.163 2.503 1.00 0.00 C ATOM 1174 C MET A 81 -4.642 -0.760 3.869 1.00 0.00 C ATOM 1175 O MET A 81 -4.794 -1.485 4.854 1.00 0.00 O ATOM 1176 CB MET A 81 -4.026 -1.709 1.652 1.00 0.00 C ATOM 1177 CG MET A 81 -3.205 -0.638 0.965 1.00 0.00 C ATOM 1178 SD MET A 81 -1.463 -1.073 0.835 1.00 0.00 S ATOM 1179 CE MET A 81 -0.988 -1.004 2.556 1.00 0.00 C ATOM 0 H MET A 81 -5.486 0.126 0.880 1.00 0.00 H new ATOM 0 HA MET A 81 -5.930 -1.938 2.630 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.369 -2.305 2.286 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.435 -2.380 0.896 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.607 -0.463 -0.033 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.301 0.297 1.516 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.001 -0.550 2.643 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.712 -0.406 3.110 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.961 -2.013 2.967 1.00 0.00 H new ATOM 1189 N MET A 82 -4.020 0.407 3.914 1.00 0.00 N ATOM 1190 CA MET A 82 -3.457 0.934 5.143 1.00 0.00 C ATOM 1191 C MET A 82 -4.511 1.692 5.943 1.00 0.00 C ATOM 1192 O MET A 82 -4.404 1.822 7.162 1.00 0.00 O ATOM 1193 CB MET A 82 -2.271 1.831 4.820 1.00 0.00 C ATOM 1194 CG MET A 82 -0.937 1.114 4.962 1.00 0.00 C ATOM 1195 SD MET A 82 0.262 2.068 5.903 1.00 0.00 S ATOM 1196 CE MET A 82 0.289 3.554 4.916 1.00 0.00 C ATOM 0 H MET A 82 -3.892 1.012 3.103 1.00 0.00 H new ATOM 0 HA MET A 82 -3.112 0.102 5.758 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.371 2.206 3.801 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.285 2.697 5.481 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.095 0.153 5.451 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.533 0.905 3.971 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.566 4.402 5.542 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.017 3.444 4.112 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.699 3.726 4.490 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.543 2.175 5.252 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.625 2.899 5.907 1.00 0.00 C ATOM 1208 C VAL A 83 -7.431 1.950 6.789 1.00 0.00 C ATOM 1209 O VAL A 83 -7.862 2.314 7.882 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.564 3.564 4.876 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.748 4.229 5.565 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.802 4.574 4.031 1.00 0.00 C ATOM 0 H VAL A 83 -5.650 2.077 4.242 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.177 3.682 6.520 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.949 2.784 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.393 4.689 4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.313 3.480 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.386 4.994 6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.480 5.032 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.383 5.346 4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.996 4.069 3.499 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.621 0.727 6.303 1.00 0.00 N ATOM 1223 CA ARG A 84 -8.365 -0.287 7.043 1.00 0.00 C ATOM 1224 C ARG A 84 -7.627 -0.675 8.320 1.00 0.00 C ATOM 1225 O ARG A 84 -8.236 -1.129 9.288 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.583 -1.524 6.171 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.379 -1.245 4.906 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.520 -2.236 4.732 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.819 -1.631 5.016 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.917 -2.330 5.296 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -12.878 -3.656 5.328 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -14.058 -1.702 5.544 1.00 0.00 N ATOM 0 H ARG A 84 -7.269 0.414 5.398 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.333 0.132 7.316 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.614 -1.940 5.896 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.101 -2.284 6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.779 -0.232 4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.718 -1.295 4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.514 -2.620 3.712 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.364 -3.088 5.394 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.889 -0.614 4.999 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -12.003 -4.145 5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.723 -4.186 5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.095 -0.683 5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.899 -2.238 5.758 1.00 0.00 H new ATOM 1246 N GLN A 85 -6.310 -0.485 8.318 1.00 0.00 N ATOM 1247 CA GLN A 85 -5.488 -0.807 9.478 1.00 0.00 C ATOM 1248 C GLN A 85 -5.188 0.454 10.283 1.00 0.00 C ATOM 1249 O GLN A 85 -4.931 0.391 11.485 1.00 0.00 O ATOM 1250 CB GLN A 85 -4.180 -1.472 9.042 1.00 0.00 C ATOM 1251 CG GLN A 85 -4.359 -2.519 7.952 1.00 0.00 C ATOM 1252 CD GLN A 85 -5.434 -3.534 8.288 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -5.841 -3.666 9.443 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -5.901 -4.258 7.278 1.00 0.00 N ATOM 0 H GLN A 85 -5.790 -0.109 7.525 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.042 -1.504 10.107 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.493 -0.704 8.686 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.714 -1.939 9.909 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.613 -2.023 7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.413 -3.037 7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.535 -4.116 6.337 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.626 -4.957 7.443 1.00 0.00 H new ATOM 1263 N MET A 86 -5.229 1.598 9.607 1.00 0.00 N ATOM 1264 CA MET A 86 -4.968 2.878 10.249 1.00 0.00 C ATOM 1265 C MET A 86 -6.131 3.271 11.154 1.00 0.00 C ATOM 1266 O MET A 86 -5.930 3.803 12.246 1.00 0.00 O ATOM 1267 CB MET A 86 -4.736 3.956 9.187 1.00 0.00 C ATOM 1268 CG MET A 86 -3.268 4.262 8.942 1.00 0.00 C ATOM 1269 SD MET A 86 -3.025 5.682 7.855 1.00 0.00 S ATOM 1270 CE MET A 86 -2.116 4.927 6.508 1.00 0.00 C ATOM 0 H MET A 86 -5.441 1.663 8.611 1.00 0.00 H new ATOM 0 HA MET A 86 -4.072 2.785 10.863 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.193 3.636 8.251 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.243 4.871 9.493 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.776 4.452 9.896 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.787 3.388 8.504 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.521 5.686 6.000 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.457 4.153 6.902 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.816 4.482 5.801 1.00 0.00 H new ATOM 1280 N LYS A 87 -7.349 3.001 10.693 1.00 0.00 N ATOM 1281 CA LYS A 87 -8.546 3.321 11.462 1.00 0.00 C ATOM 1282 C LYS A 87 -8.862 2.211 12.463 1.00 0.00 C ATOM 1283 O LYS A 87 -9.951 1.637 12.447 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.737 3.533 10.525 1.00 0.00 C ATOM 1285 CG LYS A 87 -9.755 4.903 9.865 1.00 0.00 C ATOM 1286 CD LYS A 87 -9.935 4.795 8.359 1.00 0.00 C ATOM 1287 CE LYS A 87 -11.382 4.509 7.988 1.00 0.00 C ATOM 1288 NZ LYS A 87 -11.582 3.087 7.596 1.00 0.00 N ATOM 0 H LYS A 87 -7.532 2.562 9.791 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.359 4.242 12.014 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.721 2.766 9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.660 3.398 11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.563 5.500 10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.824 5.426 10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.614 5.723 7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.296 4.002 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.028 4.747 8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.681 5.158 7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.722 3.027 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.745 2.532 7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.420 2.708 8.082 1.00 0.00 H new ATOM 1384 N SER B 117 1.889 2.518 10.337 1.00 0.00 N ATOM 1385 CA SER B 117 2.976 3.466 10.134 1.00 0.00 C ATOM 1386 C SER B 117 3.933 2.976 9.055 1.00 0.00 C ATOM 1387 O SER B 117 5.144 2.906 9.265 1.00 0.00 O ATOM 1388 CB SER B 117 3.733 3.699 11.442 1.00 0.00 C ATOM 1389 OG SER B 117 4.654 2.652 11.694 1.00 0.00 O ATOM 0 HA SER B 117 2.542 4.410 9.804 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.264 4.650 11.394 1.00 0.00 H new ATOM 0 HB3 SER B 117 3.025 3.771 12.267 1.00 0.00 H new ATOM 0 HG SER B 117 5.366 2.673 11.021 1.00 0.00 H new ATOM 1395 N ALA B 118 3.381 2.651 7.891 1.00 0.00 N ATOM 1396 CA ALA B 118 4.186 2.183 6.773 1.00 0.00 C ATOM 1397 C ALA B 118 4.838 3.355 6.043 1.00 0.00 C ATOM 1398 O ALA B 118 5.556 3.161 5.062 1.00 0.00 O ATOM 1399 CB ALA B 118 3.335 1.367 5.812 1.00 0.00 C ATOM 0 H ALA B 118 2.381 2.704 7.699 1.00 0.00 H new ATOM 0 HA ALA B 118 4.977 1.545 7.167 1.00 0.00 H new ATOM 0 HB1 ALA B 118 3.952 1.024 4.981 1.00 0.00 H new ATOM 0 HB2 ALA B 118 2.920 0.506 6.335 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.523 1.986 5.430 1.00 0.00 H new ATOM 1405 N ASP B 119 4.587 4.574 6.529 1.00 0.00 N ATOM 1406 CA ASP B 119 5.153 5.777 5.925 1.00 0.00 C ATOM 1407 C ASP B 119 6.631 5.583 5.609 1.00 0.00 C ATOM 1408 O ASP B 119 7.156 6.174 4.665 1.00 0.00 O ATOM 1409 CB ASP B 119 4.973 6.974 6.862 1.00 0.00 C ATOM 1410 CG ASP B 119 5.351 8.285 6.201 1.00 0.00 C ATOM 1411 OD1 ASP B 119 6.548 8.478 5.902 1.00 0.00 O ATOM 1412 OD2 ASP B 119 4.448 9.120 5.981 1.00 0.00 O ATOM 0 H ASP B 119 3.994 4.751 7.340 1.00 0.00 H new ATOM 0 HA ASP B 119 4.623 5.970 4.992 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.935 7.022 7.191 1.00 0.00 H new ATOM 0 HB3 ASP B 119 5.584 6.830 7.753 1.00 0.00 H new ATOM 1417 N ALA B 120 7.296 4.745 6.398 1.00 0.00 N ATOM 1418 CA ALA B 120 8.713 4.468 6.192 1.00 0.00 C ATOM 1419 C ALA B 120 8.954 3.919 4.791 1.00 0.00 C ATOM 1420 O ALA B 120 9.581 4.573 3.958 1.00 0.00 O ATOM 1421 CB ALA B 120 9.225 3.497 7.243 1.00 0.00 C ATOM 0 H ALA B 120 6.878 4.247 7.184 1.00 0.00 H new ATOM 0 HA ALA B 120 9.264 5.403 6.292 1.00 0.00 H new ATOM 0 HB1 ALA B 120 10.284 3.302 7.073 1.00 0.00 H new ATOM 0 HB2 ALA B 120 9.090 3.929 8.234 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.669 2.562 7.176 1.00 0.00 H new ATOM 1427 N MET B 121 8.440 2.719 4.528 1.00 0.00 N ATOM 1428 CA MET B 121 8.592 2.102 3.215 1.00 0.00 C ATOM 1429 C MET B 121 8.045 3.031 2.140 1.00 0.00 C ATOM 1430 O MET B 121 8.563 3.087 1.025 1.00 0.00 O ATOM 1431 CB MET B 121 7.862 0.756 3.165 1.00 0.00 C ATOM 1432 CG MET B 121 7.850 0.114 1.783 1.00 0.00 C ATOM 1433 SD MET B 121 6.272 -0.664 1.390 1.00 0.00 S ATOM 1434 CE MET B 121 5.162 0.735 1.517 1.00 0.00 C ATOM 0 H MET B 121 7.918 2.159 5.202 1.00 0.00 H new ATOM 0 HA MET B 121 9.652 1.928 3.033 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.334 0.071 3.870 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.834 0.898 3.498 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.073 0.873 1.033 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.642 -0.633 1.727 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.305 0.580 0.861 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.818 0.834 2.547 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.686 1.643 1.220 1.00 0.00 H new ATOM 1444 N LEU B 122 6.996 3.764 2.493 1.00 0.00 N ATOM 1445 CA LEU B 122 6.374 4.702 1.573 1.00 0.00 C ATOM 1446 C LEU B 122 7.340 5.838 1.251 1.00 0.00 C ATOM 1447 O LEU B 122 7.445 6.270 0.105 1.00 0.00 O ATOM 1448 CB LEU B 122 5.081 5.257 2.177 1.00 0.00 C ATOM 1449 CG LEU B 122 3.842 4.372 2.001 1.00 0.00 C ATOM 1450 CD1 LEU B 122 3.940 3.122 2.865 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.581 5.153 2.340 1.00 0.00 C ATOM 0 H LEU B 122 6.559 3.725 3.414 1.00 0.00 H new ATOM 0 HA LEU B 122 6.129 4.179 0.649 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.240 5.424 3.242 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.879 6.230 1.729 1.00 0.00 H new ATOM 0 HG LEU B 122 3.791 4.061 0.958 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.049 2.510 2.722 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.822 2.550 2.578 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.019 3.410 3.913 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.710 4.511 2.210 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.631 5.493 3.374 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.498 6.015 1.678 1.00 0.00 H new ATOM 1463 N ARG B 123 8.052 6.311 2.272 1.00 0.00 N ATOM 1464 CA ARG B 123 9.019 7.389 2.093 1.00 0.00 C ATOM 1465 C ARG B 123 10.408 6.834 1.774 1.00 0.00 C ATOM 1466 O ARG B 123 11.404 7.555 1.850 1.00 0.00 O ATOM 1467 CB ARG B 123 9.082 8.258 3.351 1.00 0.00 C ATOM 1468 CG ARG B 123 9.833 9.564 3.149 1.00 0.00 C ATOM 1469 CD ARG B 123 9.495 10.574 4.234 1.00 0.00 C ATOM 1470 NE ARG B 123 10.490 10.584 5.302 1.00 0.00 N ATOM 1471 CZ ARG B 123 10.639 11.582 6.170 1.00 0.00 C ATOM 1472 NH1 ARG B 123 9.857 12.653 6.099 1.00 0.00 N ATOM 1473 NH2 ARG B 123 11.570 11.510 7.110 1.00 0.00 N ATOM 0 H ARG B 123 7.977 5.965 3.229 1.00 0.00 H new ATOM 0 HA ARG B 123 8.691 7.999 1.251 1.00 0.00 H new ATOM 0 HB2 ARG B 123 8.067 8.479 3.681 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.561 7.692 4.150 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.906 9.372 3.151 1.00 0.00 H new ATOM 0 HG3 ARG B 123 9.585 9.980 2.173 1.00 0.00 H new ATOM 0 HD2 ARG B 123 9.426 11.569 3.794 1.00 0.00 H new ATOM 0 HD3 ARG B 123 8.516 10.342 4.653 1.00 0.00 H new ATOM 0 HE ARG B 123 11.108 9.777 5.388 1.00 0.00 H new ATOM 0 HH11 ARG B 123 9.139 12.713 5.377 1.00 0.00 H new ATOM 0 HH12 ARG B 123 9.975 13.415 6.766 1.00 0.00 H new ATOM 0 HH21 ARG B 123 12.173 10.689 7.169 1.00 0.00 H new ATOM 0 HH22 ARG B 123 11.684 12.275 7.775 1.00 0.00 H new ATOM 1487 N ALA B 124 10.471 5.551 1.424 1.00 0.00 N ATOM 1488 CA ALA B 124 11.739 4.906 1.105 1.00 0.00 C ATOM 1489 C ALA B 124 12.206 5.259 -0.304 1.00 0.00 C ATOM 1490 O ALA B 124 13.130 6.053 -0.483 1.00 0.00 O ATOM 1491 CB ALA B 124 11.611 3.397 1.256 1.00 0.00 C ATOM 0 H ALA B 124 9.658 4.939 1.355 1.00 0.00 H new ATOM 0 HA ALA B 124 12.489 5.274 1.806 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.564 2.925 1.015 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.336 3.156 2.283 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.842 3.027 0.578 1.00 0.00 H new ATOM 1497 N LEU B 125 11.566 4.658 -1.299 1.00 0.00 N ATOM 1498 CA LEU B 125 11.916 4.898 -2.693 1.00 0.00 C ATOM 1499 C LEU B 125 11.382 6.245 -3.174 1.00 0.00 C ATOM 1500 O LEU B 125 11.871 6.800 -4.158 1.00 0.00 O ATOM 1501 CB LEU B 125 11.373 3.772 -3.571 1.00 0.00 C ATOM 1502 CG LEU B 125 11.712 2.364 -3.085 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.664 1.370 -3.558 1.00 0.00 C ATOM 1504 CD2 LEU B 125 13.095 1.954 -3.564 1.00 0.00 C ATOM 0 H LEU B 125 10.799 3.999 -1.166 1.00 0.00 H new ATOM 0 HA LEU B 125 13.003 4.920 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.289 3.869 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.763 3.897 -4.581 1.00 0.00 H new ATOM 0 HG LEU B 125 11.714 2.366 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.922 0.372 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.688 1.655 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.629 1.369 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.320 0.948 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU B 125 13.122 1.968 -4.654 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.837 2.651 -3.174 1.00 0.00 H new