USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 832 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 49 TYR OH : rot 4:sc= 1.31 USER MOD Set 1.2: A 81 HIS : no HD1:sc= 0.385 K(o=1.7,f=-5.6!) USER MOD Set 1.3: A 83 HIS : no HD1:sc= 0 K(o=1.7,f=1.2) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -174:sc= 0.996 (180deg=0) USER MOD Set 2.2: A 70 GLN : amide:sc= 0.688 K(o=1.7,f=-4.3!) USER MOD Set 3.1: A 35 THR OG1 : rot -30:sc= 0.0413 USER MOD Set 3.2: A 36 GLN : amide:sc= -0.0529 X(o=-0.012,f=0.012) USER MOD Set 4.1: A 23 MET CE :methyl -179:sc= -1.35 (180deg=-0.942) USER MOD Set 4.2: A 109 CYS SG : rot 11:sc= -0.47 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 17 ASN : amide:sc= -0.0445 K(o=-0.045,f=-1.6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0159 K(o=-0.016,f=-0.98) USER MOD Single : A 41 MET CE :methyl 177:sc= -0.645 (180deg=-0.666) USER MOD Single : A 47 THR OG1 : rot -79:sc= 1.57 USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0.578 (180deg=0.555) USER MOD Single : A 55 GLN : amide:sc= 0.881 K(o=0.88,f=0) USER MOD Single : A 61 SER OG : rot -170:sc= 0.622 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -66:sc= 0.297 USER MOD Single : A 72 MET CE :methyl -177:sc=-0.00767 (180deg=-0.0175) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 77 ASN : amide:sc= 1.33 K(o=1.3,f=-1.9!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.0504 K(o=0.05,f=-9.6!) USER MOD Single : A 89 HIS : no HE2:sc= -0.162 K(o=-0.16,f=-0.95) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -48:sc= 1.4 USER MOD Single : A 100 SER OG : rot 180:sc= 0.0537 USER MOD Single : A 104 SER OG : rot 164:sc= 1.83 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 107 SER OG : rot -160:sc= 0.309 USER MOD Single : A 111 SER OG : rot 65:sc= 1.23 USER MOD Single : A 114 SER OG : rot 75:sc= 0.198 USER MOD Single : A 115 MET CE :methyl 177:sc= -0.574 (180deg=-0.618) USER MOD Single : A 117 SER OG : rot -58:sc= 1.16 USER MOD Single : A 118 SER OG : rot 180:sc= -0.283 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 0.446 -7.075 -19.571 1.00 0.00 N ATOM 42 CA MET A 4 0.291 -6.974 -18.132 1.00 0.00 C ATOM 43 C MET A 4 0.552 -5.545 -17.698 1.00 0.00 C ATOM 44 O MET A 4 -0.175 -5.005 -16.863 1.00 0.00 O ATOM 45 CB MET A 4 1.252 -7.913 -17.419 1.00 0.00 C ATOM 46 CG MET A 4 0.954 -9.396 -17.569 1.00 0.00 C ATOM 47 SD MET A 4 2.162 -10.399 -16.681 1.00 0.00 S ATOM 48 CE MET A 4 1.505 -12.052 -16.852 1.00 0.00 C ATOM 0 HA MET A 4 -0.727 -7.260 -17.867 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.259 -7.724 -17.790 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.252 -7.666 -16.357 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.046 -9.608 -17.192 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.960 -9.666 -18.625 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.162 -12.759 -16.346 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.512 -12.097 -16.406 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.440 -12.310 -17.909 1.00 0.00 H new ATOM 58 N GLN A 5 1.600 -4.960 -18.277 1.00 0.00 N ATOM 59 CA GLN A 5 2.000 -3.587 -18.024 1.00 0.00 C ATOM 60 C GLN A 5 0.966 -2.641 -18.605 1.00 0.00 C ATOM 61 O GLN A 5 0.698 -1.596 -18.019 1.00 0.00 O ATOM 62 CB GLN A 5 3.385 -3.314 -18.610 1.00 0.00 C ATOM 63 CG GLN A 5 4.503 -4.044 -17.889 1.00 0.00 C ATOM 64 CD GLN A 5 5.857 -3.837 -18.541 1.00 0.00 C ATOM 65 OE1 GLN A 5 5.950 -3.470 -19.718 1.00 0.00 O ATOM 66 NE2 GLN A 5 6.917 -4.070 -17.775 1.00 0.00 N ATOM 0 H GLN A 5 2.202 -5.440 -18.946 1.00 0.00 H new ATOM 0 HA GLN A 5 2.058 -3.423 -16.948 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.390 -3.605 -19.660 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.580 -2.242 -18.575 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.547 -3.702 -16.855 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.277 -5.110 -17.863 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.792 -4.372 -16.809 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.856 -3.947 -18.153 1.00 0.00 H new ATOM 75 N LYS A 6 0.399 -2.986 -19.761 1.00 0.00 N ATOM 76 CA LYS A 6 -0.654 -2.165 -20.339 1.00 0.00 C ATOM 77 C LYS A 6 -1.856 -2.127 -19.402 1.00 0.00 C ATOM 78 O LYS A 6 -2.451 -1.063 -19.221 1.00 0.00 O ATOM 79 CB LYS A 6 -1.066 -2.704 -21.709 1.00 0.00 C ATOM 80 CG LYS A 6 -0.023 -2.513 -22.802 1.00 0.00 C ATOM 81 CD LYS A 6 -0.492 -3.095 -24.127 1.00 0.00 C ATOM 82 CE LYS A 6 0.560 -2.920 -25.213 1.00 0.00 C ATOM 83 NZ LYS A 6 0.114 -3.495 -26.514 1.00 0.00 N ATOM 0 H LYS A 6 0.648 -3.813 -20.304 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.274 -1.152 -20.470 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.286 -3.768 -21.616 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.990 -2.213 -22.016 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.187 -1.450 -22.924 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.910 -2.991 -22.503 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.716 -4.154 -24.002 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.418 -2.608 -24.433 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.778 -1.860 -25.340 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.487 -3.401 -24.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.857 -3.356 -27.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.070 -4.512 -26.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.757 -3.018 -26.824 1.00 0.00 H new ATOM 97 N ARG A 7 -2.205 -3.276 -18.815 1.00 0.00 N ATOM 98 CA ARG A 7 -3.298 -3.324 -17.856 1.00 0.00 C ATOM 99 C ARG A 7 -2.960 -2.529 -16.608 1.00 0.00 C ATOM 100 O ARG A 7 -3.836 -1.842 -16.085 1.00 0.00 O ATOM 101 CB ARG A 7 -3.642 -4.746 -17.460 1.00 0.00 C ATOM 102 CG ARG A 7 -4.773 -4.801 -16.448 1.00 0.00 C ATOM 103 CD ARG A 7 -6.022 -4.242 -17.030 1.00 0.00 C ATOM 104 NE ARG A 7 -7.111 -4.214 -16.070 1.00 0.00 N ATOM 105 CZ ARG A 7 -7.992 -5.201 -15.834 1.00 0.00 C ATOM 106 NH1 ARG A 7 -7.948 -6.339 -16.492 1.00 0.00 N ATOM 107 NH2 ARG A 7 -8.906 -4.969 -14.911 1.00 0.00 N ATOM 0 H ARG A 7 -1.749 -4.172 -18.988 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.164 -2.882 -18.348 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.924 -5.311 -18.349 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.759 -5.229 -17.042 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.940 -5.832 -16.137 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.498 -4.239 -15.556 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.832 -3.231 -17.390 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.317 -4.838 -17.894 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.218 -3.361 -15.521 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.232 -6.490 -17.203 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.630 -7.071 -16.292 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.918 -4.076 -14.418 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.600 -5.683 -14.690 1.00 0.00 H new ATOM 121 N LEU A 8 -1.718 -2.640 -16.129 1.00 0.00 N ATOM 122 CA LEU A 8 -1.246 -1.854 -14.999 1.00 0.00 C ATOM 123 C LEU A 8 -1.436 -0.379 -15.239 1.00 0.00 C ATOM 124 O LEU A 8 -1.966 0.300 -14.363 1.00 0.00 O ATOM 125 CB LEU A 8 0.228 -2.136 -14.712 1.00 0.00 C ATOM 126 CG LEU A 8 0.875 -1.226 -13.662 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.164 -1.334 -12.326 1.00 0.00 C ATOM 128 CD2 LEU A 8 2.327 -1.648 -13.536 1.00 0.00 C ATOM 0 H LEU A 8 -1.019 -3.275 -16.515 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.841 -2.148 -14.134 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.326 -3.170 -14.383 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.787 -2.044 -15.643 1.00 0.00 H new ATOM 0 HG LEU A 8 0.802 -0.183 -13.970 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.647 -0.677 -11.603 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.879 -1.040 -12.444 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.213 -2.363 -11.970 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.825 -1.022 -12.795 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.377 -2.691 -13.222 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.824 -1.535 -14.500 1.00 0.00 H new ATOM 140 N GLN A 9 -0.984 0.094 -16.397 1.00 0.00 N ATOM 141 CA GLN A 9 -1.138 1.482 -16.782 1.00 0.00 C ATOM 142 C GLN A 9 -2.598 1.880 -16.706 1.00 0.00 C ATOM 143 O GLN A 9 -2.902 2.902 -16.100 1.00 0.00 O ATOM 144 CB GLN A 9 -0.610 1.730 -18.192 1.00 0.00 C ATOM 145 CG GLN A 9 -0.712 3.180 -18.627 1.00 0.00 C ATOM 146 CD GLN A 9 -0.188 3.403 -20.032 1.00 0.00 C ATOM 147 OE1 GLN A 9 -0.131 2.479 -20.849 1.00 0.00 O ATOM 148 NE2 GLN A 9 0.202 4.638 -20.327 1.00 0.00 N ATOM 0 H GLN A 9 -0.502 -0.478 -17.090 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.555 2.089 -16.089 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.433 1.416 -18.242 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.165 1.108 -18.894 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.753 3.499 -18.576 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.153 3.805 -17.931 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.139 5.374 -19.624 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.564 4.850 -21.257 1.00 0.00 H new ATOM 157 N LYS A 10 -3.483 1.082 -17.308 1.00 0.00 N ATOM 158 CA LYS A 10 -4.913 1.361 -17.293 1.00 0.00 C ATOM 159 C LYS A 10 -5.502 1.428 -15.888 1.00 0.00 C ATOM 160 O LYS A 10 -6.353 2.280 -15.627 1.00 0.00 O ATOM 161 CB LYS A 10 -5.647 0.290 -18.096 1.00 0.00 C ATOM 162 CG LYS A 10 -5.422 0.363 -19.599 1.00 0.00 C ATOM 163 CD LYS A 10 -6.151 -0.764 -20.315 1.00 0.00 C ATOM 164 CE LYS A 10 -5.919 -0.704 -21.817 1.00 0.00 C ATOM 165 NZ LYS A 10 -6.617 -1.809 -22.531 1.00 0.00 N ATOM 0 H LYS A 10 -3.228 0.234 -17.814 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.046 2.346 -17.740 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.332 -0.691 -17.742 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.715 0.373 -17.897 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.771 1.324 -19.976 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.355 0.305 -19.814 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.808 -1.724 -19.930 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.219 -0.700 -20.107 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.269 0.254 -22.200 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.850 -0.758 -22.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.434 -1.733 -23.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.265 -2.724 -22.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.640 -1.743 -22.357 1.00 0.00 H new ATOM 179 N GLU A 11 -5.058 0.546 -14.990 1.00 0.00 N ATOM 180 CA GLU A 11 -5.548 0.574 -13.620 1.00 0.00 C ATOM 181 C GLU A 11 -5.033 1.801 -12.889 1.00 0.00 C ATOM 182 O GLU A 11 -5.761 2.375 -12.078 1.00 0.00 O ATOM 183 CB GLU A 11 -5.132 -0.694 -12.870 1.00 0.00 C ATOM 184 CG GLU A 11 -5.823 -1.970 -13.336 1.00 0.00 C ATOM 185 CD GLU A 11 -7.317 -1.952 -13.142 1.00 0.00 C ATOM 186 OE1 GLU A 11 -7.768 -1.570 -12.085 1.00 0.00 O ATOM 187 OE2 GLU A 11 -8.012 -2.356 -14.048 1.00 0.00 O ATOM 0 H GLU A 11 -4.372 -0.183 -15.186 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.637 0.619 -13.654 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.055 -0.823 -12.973 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.336 -0.554 -11.808 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.604 -2.127 -14.392 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.405 -2.818 -12.794 1.00 0.00 H new ATOM 194 N LEU A 12 -3.795 2.200 -13.179 1.00 0.00 N ATOM 195 CA LEU A 12 -3.230 3.396 -12.582 1.00 0.00 C ATOM 196 C LEU A 12 -3.932 4.630 -13.141 1.00 0.00 C ATOM 197 O LEU A 12 -4.076 5.610 -12.417 1.00 0.00 O ATOM 198 CB LEU A 12 -1.715 3.453 -12.827 1.00 0.00 C ATOM 199 CG LEU A 12 -0.877 2.391 -12.088 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.571 2.468 -12.556 1.00 0.00 C ATOM 201 CD2 LEU A 12 -0.964 2.630 -10.591 1.00 0.00 C ATOM 0 H LEU A 12 -3.172 1.711 -13.821 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.388 3.371 -11.504 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.535 3.351 -13.897 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.355 4.440 -12.536 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.264 1.396 -12.309 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.163 1.717 -12.033 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.617 2.283 -13.629 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.971 3.459 -12.341 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.372 1.879 -10.068 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.579 3.623 -10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.004 2.559 -10.271 1.00 0.00 H new ATOM 213 N LEU A 13 -4.351 4.603 -14.406 1.00 0.00 N ATOM 214 CA LEU A 13 -5.101 5.711 -14.983 1.00 0.00 C ATOM 215 C LEU A 13 -6.475 5.839 -14.336 1.00 0.00 C ATOM 216 O LEU A 13 -6.931 6.958 -14.102 1.00 0.00 O ATOM 217 CB LEU A 13 -5.247 5.517 -16.497 1.00 0.00 C ATOM 218 CG LEU A 13 -3.964 5.667 -17.325 1.00 0.00 C ATOM 219 CD1 LEU A 13 -4.234 5.234 -18.760 1.00 0.00 C ATOM 220 CD2 LEU A 13 -3.512 7.116 -17.275 1.00 0.00 C ATOM 0 H LEU A 13 -4.183 3.827 -15.047 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.549 6.631 -14.792 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.657 4.523 -16.677 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.979 6.236 -16.866 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.174 5.036 -16.917 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.323 5.340 -19.350 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.554 4.192 -18.772 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.018 5.859 -19.187 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.600 7.233 -17.861 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.293 7.755 -17.687 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.318 7.401 -16.241 1.00 0.00 H new ATOM 232 N ALA A 14 -7.130 4.706 -14.060 1.00 0.00 N ATOM 233 CA ALA A 14 -8.419 4.700 -13.376 1.00 0.00 C ATOM 234 C ALA A 14 -8.261 5.282 -11.978 1.00 0.00 C ATOM 235 O ALA A 14 -9.108 6.046 -11.515 1.00 0.00 O ATOM 236 CB ALA A 14 -8.980 3.290 -13.312 1.00 0.00 C ATOM 0 H ALA A 14 -6.782 3.778 -14.303 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.122 5.317 -13.936 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.941 3.304 -12.799 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.114 2.905 -14.323 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.288 2.647 -12.768 1.00 0.00 H new ATOM 242 N LEU A 15 -7.174 4.888 -11.321 1.00 0.00 N ATOM 243 CA LEU A 15 -6.776 5.384 -10.018 1.00 0.00 C ATOM 244 C LEU A 15 -6.552 6.885 -10.056 1.00 0.00 C ATOM 245 O LEU A 15 -6.961 7.586 -9.136 1.00 0.00 O ATOM 246 CB LEU A 15 -5.536 4.632 -9.566 1.00 0.00 C ATOM 247 CG LEU A 15 -4.924 5.043 -8.244 1.00 0.00 C ATOM 248 CD1 LEU A 15 -5.918 4.878 -7.113 1.00 0.00 C ATOM 249 CD2 LEU A 15 -3.733 4.145 -8.039 1.00 0.00 C ATOM 0 H LEU A 15 -6.529 4.193 -11.697 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.572 5.209 -9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.785 3.572 -9.509 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.775 4.739 -10.339 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.634 6.094 -8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.454 5.180 -6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.792 5.501 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.224 3.834 -7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.247 4.395 -7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.061 3.106 -8.014 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.028 4.283 -8.858 1.00 0.00 H new ATOM 261 N GLN A 16 -5.867 7.381 -11.083 1.00 0.00 N ATOM 262 CA GLN A 16 -5.683 8.815 -11.246 1.00 0.00 C ATOM 263 C GLN A 16 -7.015 9.526 -11.441 1.00 0.00 C ATOM 264 O GLN A 16 -7.193 10.641 -10.948 1.00 0.00 O ATOM 265 CB GLN A 16 -4.745 9.111 -12.420 1.00 0.00 C ATOM 266 CG GLN A 16 -3.293 8.737 -12.165 1.00 0.00 C ATOM 267 CD GLN A 16 -2.405 8.920 -13.377 1.00 0.00 C ATOM 268 OE1 GLN A 16 -2.875 9.215 -14.479 1.00 0.00 O ATOM 269 NE2 GLN A 16 -1.103 8.743 -13.177 1.00 0.00 N ATOM 0 H GLN A 16 -5.433 6.812 -11.810 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.228 9.195 -10.331 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.099 8.572 -13.299 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.799 10.174 -12.655 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.907 9.344 -11.346 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.244 7.697 -11.842 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.758 8.500 -12.248 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.449 8.851 -13.952 1.00 0.00 H new ATOM 278 N ASN A 17 -7.945 8.906 -12.164 1.00 0.00 N ATOM 279 CA ASN A 17 -9.264 9.495 -12.326 1.00 0.00 C ATOM 280 C ASN A 17 -10.038 9.542 -11.005 1.00 0.00 C ATOM 281 O ASN A 17 -10.818 10.472 -10.792 1.00 0.00 O ATOM 282 CB ASN A 17 -10.045 8.738 -13.382 1.00 0.00 C ATOM 283 CG ASN A 17 -9.535 9.015 -14.768 1.00 0.00 C ATOM 284 OD1 ASN A 17 -8.885 10.037 -15.016 1.00 0.00 O ATOM 285 ND2 ASN A 17 -9.818 8.122 -15.681 1.00 0.00 N ATOM 0 H ASN A 17 -7.810 8.013 -12.637 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.131 10.526 -12.653 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.984 7.669 -13.181 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.098 9.014 -13.321 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.499 8.255 -16.641 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.357 7.292 -15.433 1.00 0.00 H new ATOM 292 N ASP A 18 -9.845 8.559 -10.123 1.00 0.00 N ATOM 293 CA ASP A 18 -10.519 8.603 -8.830 1.00 0.00 C ATOM 294 C ASP A 18 -9.777 7.874 -7.703 1.00 0.00 C ATOM 295 O ASP A 18 -10.115 6.730 -7.395 1.00 0.00 O ATOM 296 CB ASP A 18 -11.915 7.991 -8.972 1.00 0.00 C ATOM 297 CG ASP A 18 -12.773 8.124 -7.721 1.00 0.00 C ATOM 298 OD1 ASP A 18 -12.300 8.662 -6.749 1.00 0.00 O ATOM 299 OD2 ASP A 18 -13.896 7.680 -7.749 1.00 0.00 O ATOM 0 H ASP A 18 -9.246 7.747 -10.275 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.558 9.655 -8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.428 8.469 -9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.815 6.935 -9.222 1.00 0.00 H new ATOM 304 N PRO A 19 -8.775 8.504 -7.077 1.00 0.00 N ATOM 305 CA PRO A 19 -8.028 7.952 -5.969 1.00 0.00 C ATOM 306 C PRO A 19 -8.823 8.062 -4.667 1.00 0.00 C ATOM 307 O PRO A 19 -9.650 8.965 -4.537 1.00 0.00 O ATOM 308 CB PRO A 19 -6.774 8.833 -5.996 1.00 0.00 C ATOM 309 CG PRO A 19 -7.263 10.151 -6.541 1.00 0.00 C ATOM 310 CD PRO A 19 -8.353 9.828 -7.548 1.00 0.00 C ATOM 0 HA PRO A 19 -7.802 6.888 -6.039 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.346 8.948 -5.000 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.998 8.403 -6.629 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.650 10.781 -5.740 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.449 10.700 -7.014 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.166 10.554 -7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.977 9.803 -8.571 1.00 0.00 H new ATOM 318 N PRO A 20 -8.595 7.176 -3.695 1.00 0.00 N ATOM 319 CA PRO A 20 -9.268 7.172 -2.417 1.00 0.00 C ATOM 320 C PRO A 20 -8.809 8.308 -1.491 1.00 0.00 C ATOM 321 O PRO A 20 -7.703 8.827 -1.668 1.00 0.00 O ATOM 322 CB PRO A 20 -8.876 5.784 -1.894 1.00 0.00 C ATOM 323 CG PRO A 20 -7.556 5.484 -2.547 1.00 0.00 C ATOM 324 CD PRO A 20 -7.613 6.118 -3.926 1.00 0.00 C ATOM 0 HA PRO A 20 -10.343 7.343 -2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.789 5.781 -0.807 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.625 5.037 -2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.731 5.893 -1.964 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.393 4.409 -2.619 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.647 6.512 -4.241 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.936 5.414 -4.693 1.00 0.00 H new ATOM 332 N PRO A 21 -9.643 8.709 -0.524 1.00 0.00 N ATOM 333 CA PRO A 21 -9.365 9.757 0.436 1.00 0.00 C ATOM 334 C PRO A 21 -8.065 9.567 1.196 1.00 0.00 C ATOM 335 O PRO A 21 -7.819 8.513 1.783 1.00 0.00 O ATOM 336 CB PRO A 21 -10.574 9.622 1.371 1.00 0.00 C ATOM 337 CG PRO A 21 -11.659 9.060 0.499 1.00 0.00 C ATOM 338 CD PRO A 21 -10.967 8.077 -0.418 1.00 0.00 C ATOM 0 HA PRO A 21 -9.236 10.734 -0.030 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.356 8.961 2.210 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.861 10.586 1.791 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.427 8.568 1.095 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.153 9.847 -0.070 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.917 7.075 0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.464 7.988 -1.384 1.00 0.00 H new ATOM 346 N GLY A 22 -7.249 10.615 1.199 1.00 0.00 N ATOM 347 CA GLY A 22 -5.968 10.600 1.889 1.00 0.00 C ATOM 348 C GLY A 22 -4.827 10.040 1.043 1.00 0.00 C ATOM 349 O GLY A 22 -3.709 9.915 1.533 1.00 0.00 O ATOM 0 H GLY A 22 -7.457 11.494 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.718 11.616 2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.061 10.006 2.798 1.00 0.00 H new ATOM 353 N MET A 23 -5.087 9.677 -0.215 1.00 0.00 N ATOM 354 CA MET A 23 -4.028 9.133 -1.062 1.00 0.00 C ATOM 355 C MET A 23 -3.461 10.053 -2.152 1.00 0.00 C ATOM 356 O MET A 23 -4.209 10.635 -2.940 1.00 0.00 O ATOM 357 CB MET A 23 -4.562 7.873 -1.708 1.00 0.00 C ATOM 358 CG MET A 23 -3.590 7.213 -2.646 1.00 0.00 C ATOM 359 SD MET A 23 -4.244 5.675 -3.274 1.00 0.00 S ATOM 360 CE MET A 23 -2.972 5.354 -4.462 1.00 0.00 C ATOM 0 H MET A 23 -6.002 9.748 -0.661 1.00 0.00 H new ATOM 0 HA MET A 23 -3.181 8.967 -0.396 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.837 7.164 -0.927 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.473 8.114 -2.255 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.369 7.884 -3.476 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.649 7.027 -2.128 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.195 4.429 -4.993 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.922 6.178 -5.174 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.014 5.257 -3.952 1.00 0.00 H new ATOM 370 N THR A 24 -2.128 10.166 -2.185 1.00 0.00 N ATOM 371 CA THR A 24 -1.376 10.960 -3.157 1.00 0.00 C ATOM 372 C THR A 24 -0.548 10.094 -4.113 1.00 0.00 C ATOM 373 O THR A 24 0.251 9.236 -3.726 1.00 0.00 O ATOM 374 CB THR A 24 -0.461 11.970 -2.450 1.00 0.00 C ATOM 375 OG1 THR A 24 -1.253 12.885 -1.681 1.00 0.00 O ATOM 376 CG2 THR A 24 0.393 12.734 -3.452 1.00 0.00 C ATOM 0 H THR A 24 -1.526 9.691 -1.513 1.00 0.00 H new ATOM 0 HA THR A 24 -2.116 11.495 -3.753 1.00 0.00 H new ATOM 0 HB THR A 24 0.208 11.421 -1.787 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.666 13.527 -1.230 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.030 13.442 -2.922 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.014 12.033 -4.010 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.253 13.275 -4.143 1.00 0.00 H new ATOM 384 N LEU A 25 -0.728 10.401 -5.391 1.00 0.00 N ATOM 385 CA LEU A 25 -0.175 9.708 -6.551 1.00 0.00 C ATOM 386 C LEU A 25 1.206 10.166 -7.043 1.00 0.00 C ATOM 387 O LEU A 25 1.286 11.107 -7.833 1.00 0.00 O ATOM 388 CB LEU A 25 -1.200 9.926 -7.667 1.00 0.00 C ATOM 389 CG LEU A 25 -2.613 9.446 -7.311 1.00 0.00 C ATOM 390 CD1 LEU A 25 -3.585 9.848 -8.394 1.00 0.00 C ATOM 391 CD2 LEU A 25 -2.612 7.943 -7.177 1.00 0.00 C ATOM 0 H LEU A 25 -1.305 11.196 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.006 8.671 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.238 10.988 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.864 9.405 -8.563 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.917 9.902 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.585 9.503 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.590 10.933 -8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.282 9.399 -9.340 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.615 7.600 -6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.302 7.494 -8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.918 7.648 -6.390 1.00 0.00 H new ATOM 403 N ASN A 26 2.284 9.510 -6.602 1.00 0.00 N ATOM 404 CA ASN A 26 3.646 9.855 -7.019 1.00 0.00 C ATOM 405 C ASN A 26 4.322 8.690 -7.743 1.00 0.00 C ATOM 406 O ASN A 26 3.768 7.598 -7.842 1.00 0.00 O ATOM 407 CB ASN A 26 4.484 10.305 -5.836 1.00 0.00 C ATOM 408 CG ASN A 26 4.033 11.626 -5.277 1.00 0.00 C ATOM 409 OD1 ASN A 26 3.640 12.522 -6.033 1.00 0.00 O ATOM 410 ND2 ASN A 26 4.094 11.778 -3.980 1.00 0.00 N ATOM 0 H ASN A 26 2.237 8.728 -5.949 1.00 0.00 H new ATOM 0 HA ASN A 26 3.569 10.687 -7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.437 9.548 -5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.527 10.382 -6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.811 12.662 -3.556 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.424 11.013 -3.392 1.00 0.00 H new ATOM 542 N THR A 35 5.946 0.668 -13.273 1.00 0.00 N ATOM 543 CA THR A 35 6.243 -0.412 -12.360 1.00 0.00 C ATOM 544 C THR A 35 6.952 0.103 -11.119 1.00 0.00 C ATOM 545 O THR A 35 7.084 -0.625 -10.135 1.00 0.00 O ATOM 546 CB THR A 35 7.142 -1.466 -13.020 1.00 0.00 C ATOM 547 OG1 THR A 35 8.409 -0.874 -13.361 1.00 0.00 O ATOM 548 CG2 THR A 35 6.463 -2.003 -14.273 1.00 0.00 C ATOM 0 HA THR A 35 5.289 -0.862 -12.084 1.00 0.00 H new ATOM 0 HB THR A 35 7.309 -2.289 -12.325 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.282 0.077 -13.561 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.102 -2.752 -14.741 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.510 -2.457 -14.004 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.290 -1.185 -14.972 1.00 0.00 H new ATOM 556 N GLN A 36 7.406 1.357 -11.176 1.00 0.00 N ATOM 557 CA GLN A 36 8.133 2.025 -10.110 1.00 0.00 C ATOM 558 C GLN A 36 7.248 3.142 -9.583 1.00 0.00 C ATOM 559 O GLN A 36 7.423 4.298 -9.973 1.00 0.00 O ATOM 560 CB GLN A 36 9.434 2.596 -10.651 1.00 0.00 C ATOM 561 CG GLN A 36 10.344 1.570 -11.298 1.00 0.00 C ATOM 562 CD GLN A 36 10.864 0.498 -10.364 1.00 0.00 C ATOM 563 OE1 GLN A 36 11.539 0.711 -9.347 1.00 0.00 O ATOM 564 NE2 GLN A 36 10.510 -0.726 -10.748 1.00 0.00 N ATOM 0 H GLN A 36 7.270 1.949 -11.995 1.00 0.00 H new ATOM 0 HA GLN A 36 8.377 1.325 -9.311 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.201 3.370 -11.382 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.972 3.079 -9.835 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.803 1.089 -12.113 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.194 2.088 -11.741 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.953 -0.854 -11.593 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.795 -1.536 -10.197 1.00 0.00 H new ATOM 573 N TRP A 37 6.332 2.817 -8.678 1.00 0.00 N ATOM 574 CA TRP A 37 5.332 3.809 -8.311 1.00 0.00 C ATOM 575 C TRP A 37 5.188 4.036 -6.803 1.00 0.00 C ATOM 576 O TRP A 37 5.271 3.113 -5.994 1.00 0.00 O ATOM 577 CB TRP A 37 4.069 3.355 -9.036 1.00 0.00 C ATOM 578 CG TRP A 37 2.854 4.182 -8.853 1.00 0.00 C ATOM 579 CD1 TRP A 37 2.512 5.351 -9.459 1.00 0.00 C ATOM 580 CD2 TRP A 37 1.759 3.830 -7.998 1.00 0.00 C ATOM 581 NE1 TRP A 37 1.286 5.770 -9.008 1.00 0.00 N ATOM 582 CE2 TRP A 37 0.811 4.843 -8.116 1.00 0.00 C ATOM 583 CE3 TRP A 37 1.520 2.745 -7.165 1.00 0.00 C ATOM 584 CZ2 TRP A 37 -0.372 4.801 -7.411 1.00 0.00 C ATOM 585 CZ3 TRP A 37 0.337 2.690 -6.465 1.00 0.00 C ATOM 586 CH2 TRP A 37 -0.577 3.694 -6.589 1.00 0.00 C ATOM 0 H TRP A 37 6.261 1.917 -8.204 1.00 0.00 H new ATOM 0 HA TRP A 37 5.616 4.814 -8.622 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.289 3.308 -10.103 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.839 2.340 -8.713 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.116 5.872 -10.187 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.808 6.626 -9.289 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.252 1.956 -7.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.106 5.589 -7.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.132 1.851 -5.817 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.497 3.629 -6.028 1.00 0.00 H new ATOM 597 N ILE A 38 4.982 5.302 -6.435 1.00 0.00 N ATOM 598 CA ILE A 38 5.010 5.752 -5.043 1.00 0.00 C ATOM 599 C ILE A 38 3.710 6.322 -4.466 1.00 0.00 C ATOM 600 O ILE A 38 3.024 7.142 -5.075 1.00 0.00 O ATOM 601 CB ILE A 38 6.115 6.819 -4.901 1.00 0.00 C ATOM 602 CG1 ILE A 38 7.470 6.205 -5.273 1.00 0.00 C ATOM 603 CG2 ILE A 38 6.149 7.373 -3.481 1.00 0.00 C ATOM 604 CD1 ILE A 38 8.572 7.226 -5.414 1.00 0.00 C ATOM 0 H ILE A 38 4.789 6.050 -7.101 1.00 0.00 H new ATOM 0 HA ILE A 38 5.191 4.846 -4.465 1.00 0.00 H new ATOM 0 HB ILE A 38 5.900 7.646 -5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.753 5.479 -4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.368 5.659 -6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.935 8.124 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.187 7.828 -3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.349 6.563 -2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.502 6.723 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.310 7.938 -6.196 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.701 7.755 -4.470 1.00 0.00 H new ATOM 616 N VAL A 39 3.353 5.886 -3.264 1.00 0.00 N ATOM 617 CA VAL A 39 2.130 6.404 -2.667 1.00 0.00 C ATOM 618 C VAL A 39 2.333 7.142 -1.365 1.00 0.00 C ATOM 619 O VAL A 39 2.900 6.617 -0.409 1.00 0.00 O ATOM 620 CB VAL A 39 1.125 5.287 -2.408 1.00 0.00 C ATOM 621 CG1 VAL A 39 -0.112 5.854 -1.748 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.769 4.670 -3.724 1.00 0.00 C ATOM 0 H VAL A 39 3.867 5.205 -2.704 1.00 0.00 H new ATOM 0 HA VAL A 39 1.756 7.115 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 39 1.554 4.535 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.827 5.052 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.162 6.319 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.563 6.600 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.050 3.866 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.330 5.427 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.667 4.267 -4.192 1.00 0.00 H new ATOM 632 N ASP A 40 1.860 8.378 -1.323 1.00 0.00 N ATOM 633 CA ASP A 40 1.970 9.112 -0.081 1.00 0.00 C ATOM 634 C ASP A 40 0.591 9.104 0.561 1.00 0.00 C ATOM 635 O ASP A 40 -0.426 9.201 -0.126 1.00 0.00 O ATOM 636 CB ASP A 40 2.514 10.529 -0.272 1.00 0.00 C ATOM 637 CG ASP A 40 3.979 10.583 -0.689 1.00 0.00 C ATOM 638 OD1 ASP A 40 4.639 9.578 -0.617 1.00 0.00 O ATOM 639 OD2 ASP A 40 4.438 11.649 -1.041 1.00 0.00 O ATOM 0 H ASP A 40 1.417 8.872 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 40 2.699 8.631 0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.914 11.038 -1.026 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.392 11.082 0.659 1.00 0.00 H new ATOM 644 N MET A 41 0.529 8.966 1.877 1.00 0.00 N ATOM 645 CA MET A 41 -0.791 8.958 2.491 1.00 0.00 C ATOM 646 C MET A 41 -0.903 9.829 3.721 1.00 0.00 C ATOM 647 O MET A 41 0.073 10.090 4.419 1.00 0.00 O ATOM 648 CB MET A 41 -1.222 7.542 2.893 1.00 0.00 C ATOM 649 CG MET A 41 -1.394 6.530 1.777 1.00 0.00 C ATOM 650 SD MET A 41 -1.859 4.912 2.419 1.00 0.00 S ATOM 651 CE MET A 41 -2.025 3.987 0.899 1.00 0.00 C ATOM 0 H MET A 41 1.323 8.864 2.509 1.00 0.00 H new ATOM 0 HA MET A 41 -1.444 9.362 1.717 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.485 7.150 3.594 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.167 7.616 3.431 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.157 6.880 1.082 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.464 6.446 1.214 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.258 2.947 1.129 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.828 4.415 0.299 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.090 4.034 0.341 1.00 0.00 H new ATOM 661 N GLU A 42 -2.118 10.299 3.962 1.00 0.00 N ATOM 662 CA GLU A 42 -2.440 11.042 5.168 1.00 0.00 C ATOM 663 C GLU A 42 -3.236 10.103 6.058 1.00 0.00 C ATOM 664 O GLU A 42 -4.232 9.539 5.602 1.00 0.00 O ATOM 665 CB GLU A 42 -3.234 12.310 4.871 1.00 0.00 C ATOM 666 CG GLU A 42 -3.554 13.117 6.119 1.00 0.00 C ATOM 667 CD GLU A 42 -4.317 14.379 5.833 1.00 0.00 C ATOM 668 OE1 GLU A 42 -4.595 14.635 4.686 1.00 0.00 O ATOM 669 OE2 GLU A 42 -4.620 15.092 6.761 1.00 0.00 O ATOM 0 H GLU A 42 -2.907 10.175 3.327 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.524 11.374 5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.668 12.932 4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.164 12.041 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.133 12.498 6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.624 13.371 6.627 1.00 0.00 H new ATOM 676 N GLY A 43 -2.798 9.899 7.296 1.00 0.00 N ATOM 677 CA GLY A 43 -3.557 9.007 8.164 1.00 0.00 C ATOM 678 C GLY A 43 -4.962 9.533 8.427 1.00 0.00 C ATOM 679 O GLY A 43 -5.184 10.733 8.606 1.00 0.00 O ATOM 0 H GLY A 43 -1.963 10.316 7.706 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.618 8.020 7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.031 8.887 9.111 1.00 0.00 H new ATOM 683 N ALA A 44 -5.894 8.585 8.496 1.00 0.00 N ATOM 684 CA ALA A 44 -7.324 8.832 8.650 1.00 0.00 C ATOM 685 C ALA A 44 -7.714 9.620 9.911 1.00 0.00 C ATOM 686 O ALA A 44 -7.280 9.261 11.010 1.00 0.00 O ATOM 687 CB ALA A 44 -8.058 7.500 8.680 1.00 0.00 C ATOM 0 H ALA A 44 -5.666 7.592 8.445 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.607 9.450 7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.127 7.676 8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.877 6.964 7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.696 6.904 9.518 1.00 0.00 H new ATOM 693 N PRO A 45 -8.528 10.678 9.764 1.00 0.00 N ATOM 694 CA PRO A 45 -9.049 11.470 10.851 1.00 0.00 C ATOM 695 C PRO A 45 -9.813 10.651 11.864 1.00 0.00 C ATOM 696 O PRO A 45 -10.627 9.795 11.511 1.00 0.00 O ATOM 697 CB PRO A 45 -9.935 12.469 10.103 1.00 0.00 C ATOM 698 CG PRO A 45 -9.298 12.584 8.748 1.00 0.00 C ATOM 699 CD PRO A 45 -8.771 11.212 8.418 1.00 0.00 C ATOM 0 HA PRO A 45 -8.277 11.938 11.461 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.963 12.114 10.031 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.966 13.433 10.612 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.023 12.913 8.003 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.493 13.319 8.756 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.493 10.615 7.861 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.861 11.252 7.819 1.00 0.00 H new ATOM 707 N GLY A 46 -9.559 10.944 13.131 1.00 0.00 N ATOM 708 CA GLY A 46 -10.193 10.223 14.220 1.00 0.00 C ATOM 709 C GLY A 46 -9.357 9.037 14.689 1.00 0.00 C ATOM 710 O GLY A 46 -9.672 8.445 15.722 1.00 0.00 O ATOM 0 H GLY A 46 -8.916 11.678 13.429 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.358 10.903 15.056 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.173 9.870 13.898 1.00 0.00 H new ATOM 714 N THR A 47 -8.305 8.673 13.949 1.00 0.00 N ATOM 715 CA THR A 47 -7.469 7.561 14.367 1.00 0.00 C ATOM 716 C THR A 47 -6.187 8.118 14.934 1.00 0.00 C ATOM 717 O THR A 47 -5.915 9.317 14.857 1.00 0.00 O ATOM 718 CB THR A 47 -7.055 6.617 13.224 1.00 0.00 C ATOM 719 OG1 THR A 47 -6.126 7.299 12.371 1.00 0.00 O ATOM 720 CG2 THR A 47 -8.270 6.209 12.410 1.00 0.00 C ATOM 0 H THR A 47 -8.022 9.124 13.079 1.00 0.00 H new ATOM 0 HA THR A 47 -8.063 6.991 15.082 1.00 0.00 H new ATOM 0 HB THR A 47 -6.596 5.723 13.647 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.614 7.902 11.772 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.961 5.542 11.605 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.984 5.695 13.054 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.738 7.097 11.985 1.00 0.00 H new ATOM 728 N LEU A 48 -5.363 7.215 15.444 1.00 0.00 N ATOM 729 CA LEU A 48 -4.067 7.550 16.010 1.00 0.00 C ATOM 730 C LEU A 48 -3.067 8.035 14.967 1.00 0.00 C ATOM 731 O LEU A 48 -1.997 8.529 15.326 1.00 0.00 O ATOM 732 CB LEU A 48 -3.485 6.321 16.708 1.00 0.00 C ATOM 733 CG LEU A 48 -4.260 5.851 17.940 1.00 0.00 C ATOM 734 CD1 LEU A 48 -3.652 4.557 18.442 1.00 0.00 C ATOM 735 CD2 LEU A 48 -4.202 6.928 19.010 1.00 0.00 C ATOM 0 H LEU A 48 -5.579 6.219 15.476 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.232 8.366 16.713 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.440 5.501 15.991 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.460 6.542 17.004 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.305 5.672 17.686 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.199 4.215 19.321 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.711 3.800 17.660 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.608 4.724 18.707 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.753 6.597 19.890 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.163 7.115 19.282 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.648 7.846 18.627 1.00 0.00 H new ATOM 747 N TYR A 49 -3.400 7.896 13.683 1.00 0.00 N ATOM 748 CA TYR A 49 -2.523 8.309 12.618 1.00 0.00 C ATOM 749 C TYR A 49 -3.003 9.585 11.939 1.00 0.00 C ATOM 750 O TYR A 49 -2.396 9.993 10.951 1.00 0.00 O ATOM 751 CB TYR A 49 -2.433 7.150 11.637 1.00 0.00 C ATOM 752 CG TYR A 49 -1.843 5.949 12.341 1.00 0.00 C ATOM 753 CD1 TYR A 49 -0.484 5.888 12.588 1.00 0.00 C ATOM 754 CD2 TYR A 49 -2.663 4.916 12.765 1.00 0.00 C ATOM 755 CE1 TYR A 49 0.062 4.810 13.248 1.00 0.00 C ATOM 756 CE2 TYR A 49 -2.121 3.832 13.433 1.00 0.00 C ATOM 757 CZ TYR A 49 -0.750 3.784 13.674 1.00 0.00 C ATOM 758 OH TYR A 49 -0.198 2.713 14.340 1.00 0.00 O ATOM 0 H TYR A 49 -4.283 7.495 13.367 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.538 8.549 13.018 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.422 6.909 11.248 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.814 7.427 10.784 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.156 6.694 12.260 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.725 4.957 12.574 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.126 4.770 13.431 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.759 3.026 13.766 1.00 0.00 H new ATOM 0 HH TYR A 49 0.758 2.874 14.484 1.00 0.00 H new ATOM 768 N GLU A 50 -4.053 10.222 12.471 1.00 0.00 N ATOM 769 CA GLU A 50 -4.611 11.435 11.878 1.00 0.00 C ATOM 770 C GLU A 50 -3.623 12.527 11.512 1.00 0.00 C ATOM 771 O GLU A 50 -3.060 13.197 12.380 1.00 0.00 O ATOM 772 CB GLU A 50 -5.650 12.048 12.813 1.00 0.00 C ATOM 773 CG GLU A 50 -6.221 13.360 12.286 1.00 0.00 C ATOM 774 CD GLU A 50 -7.350 13.910 13.113 1.00 0.00 C ATOM 775 OE1 GLU A 50 -7.898 13.183 13.908 1.00 0.00 O ATOM 776 OE2 GLU A 50 -7.671 15.062 12.945 1.00 0.00 O ATOM 0 H GLU A 50 -4.533 9.912 13.316 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.037 11.083 10.938 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.463 11.337 12.961 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.196 12.221 13.789 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.422 14.100 12.241 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.572 13.208 11.265 1.00 0.00 H new ATOM 783 N GLY A 51 -3.428 12.700 10.205 1.00 0.00 N ATOM 784 CA GLY A 51 -2.541 13.735 9.684 1.00 0.00 C ATOM 785 C GLY A 51 -1.094 13.301 9.453 1.00 0.00 C ATOM 786 O GLY A 51 -0.296 14.083 8.932 1.00 0.00 O ATOM 0 H GLY A 51 -3.876 12.132 9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.949 14.098 8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.544 14.576 10.378 1.00 0.00 H new ATOM 790 N GLU A 52 -0.741 12.078 9.838 1.00 0.00 N ATOM 791 CA GLU A 52 0.621 11.589 9.657 1.00 0.00 C ATOM 792 C GLU A 52 0.915 11.270 8.207 1.00 0.00 C ATOM 793 O GLU A 52 0.069 10.720 7.506 1.00 0.00 O ATOM 794 CB GLU A 52 0.890 10.347 10.511 1.00 0.00 C ATOM 795 CG GLU A 52 2.317 9.825 10.361 1.00 0.00 C ATOM 796 CD GLU A 52 2.661 8.691 11.280 1.00 0.00 C ATOM 797 OE1 GLU A 52 1.869 8.387 12.137 1.00 0.00 O ATOM 798 OE2 GLU A 52 3.719 8.126 11.128 1.00 0.00 O ATOM 0 H GLU A 52 -1.376 11.410 10.275 1.00 0.00 H new ATOM 0 HA GLU A 52 1.282 12.393 9.981 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.703 10.584 11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.189 9.561 10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.466 9.500 9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.012 10.645 10.540 1.00 0.00 H new ATOM 805 N LYS A 53 2.097 11.672 7.743 1.00 0.00 N ATOM 806 CA LYS A 53 2.485 11.376 6.371 1.00 0.00 C ATOM 807 C LYS A 53 3.179 10.025 6.244 1.00 0.00 C ATOM 808 O LYS A 53 4.174 9.754 6.920 1.00 0.00 O ATOM 809 CB LYS A 53 3.413 12.429 5.775 1.00 0.00 C ATOM 810 CG LYS A 53 3.664 12.088 4.313 1.00 0.00 C ATOM 811 CD LYS A 53 4.531 13.063 3.537 1.00 0.00 C ATOM 812 CE LYS A 53 4.574 12.537 2.113 1.00 0.00 C ATOM 813 NZ LYS A 53 5.384 13.335 1.157 1.00 0.00 N ATOM 0 H LYS A 53 2.787 12.192 8.285 1.00 0.00 H new ATOM 0 HA LYS A 53 1.545 11.367 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.965 13.419 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.355 12.457 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.129 11.103 4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.701 12.010 3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.113 14.069 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.533 13.120 3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.966 11.520 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.553 12.478 1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.253 12.962 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.078 14.329 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.389 13.274 1.418 1.00 0.00 H new ATOM 827 N PHE A 54 2.645 9.198 5.355 1.00 0.00 N ATOM 828 CA PHE A 54 3.157 7.869 5.064 1.00 0.00 C ATOM 829 C PHE A 54 3.701 7.789 3.650 1.00 0.00 C ATOM 830 O PHE A 54 3.269 8.546 2.786 1.00 0.00 O ATOM 831 CB PHE A 54 2.006 6.892 5.146 1.00 0.00 C ATOM 832 CG PHE A 54 1.420 6.791 6.515 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.924 5.894 7.440 1.00 0.00 C ATOM 834 CD2 PHE A 54 0.364 7.610 6.877 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.377 5.820 8.700 1.00 0.00 C ATOM 836 CE2 PHE A 54 -0.175 7.536 8.140 1.00 0.00 C ATOM 837 CZ PHE A 54 0.334 6.641 9.043 1.00 0.00 C ATOM 0 H PHE A 54 1.822 9.441 4.803 1.00 0.00 H new ATOM 0 HA PHE A 54 3.950 7.643 5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.228 7.197 4.446 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.350 5.907 4.831 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.749 5.250 7.172 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.039 8.312 6.162 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.769 5.116 9.419 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.996 8.181 8.418 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.090 6.581 10.034 1.00 0.00 H new ATOM 847 N GLN A 55 4.627 6.868 3.403 1.00 0.00 N ATOM 848 CA GLN A 55 5.167 6.695 2.057 1.00 0.00 C ATOM 849 C GLN A 55 5.430 5.230 1.722 1.00 0.00 C ATOM 850 O GLN A 55 6.166 4.548 2.433 1.00 0.00 O ATOM 851 CB GLN A 55 6.445 7.515 1.885 1.00 0.00 C ATOM 852 CG GLN A 55 7.058 7.424 0.497 1.00 0.00 C ATOM 853 CD GLN A 55 8.238 8.364 0.327 1.00 0.00 C ATOM 854 OE1 GLN A 55 8.179 9.330 -0.440 1.00 0.00 O ATOM 855 NE2 GLN A 55 9.318 8.102 1.052 1.00 0.00 N ATOM 0 H GLN A 55 5.015 6.238 4.105 1.00 0.00 H new ATOM 0 HA GLN A 55 4.411 7.056 1.360 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.226 8.560 2.106 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.180 7.181 2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.382 6.400 0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.299 7.658 -0.249 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.330 7.295 1.675 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.136 8.708 0.986 1.00 0.00 H new ATOM 864 N LEU A 56 4.795 4.773 0.644 1.00 0.00 N ATOM 865 CA LEU A 56 4.885 3.416 0.123 1.00 0.00 C ATOM 866 C LEU A 56 5.549 3.278 -1.230 1.00 0.00 C ATOM 867 O LEU A 56 5.417 4.133 -2.106 1.00 0.00 O ATOM 868 CB LEU A 56 3.489 2.834 -0.066 1.00 0.00 C ATOM 869 CG LEU A 56 2.583 2.692 1.145 1.00 0.00 C ATOM 870 CD1 LEU A 56 1.210 2.276 0.666 1.00 0.00 C ATOM 871 CD2 LEU A 56 3.157 1.617 2.041 1.00 0.00 C ATOM 0 H LEU A 56 4.178 5.366 0.088 1.00 0.00 H new ATOM 0 HA LEU A 56 5.492 2.899 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.969 3.455 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.602 1.845 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 56 2.511 3.631 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.543 2.168 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.815 3.035 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.281 1.324 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.522 1.497 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.203 0.675 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.161 1.903 2.356 1.00 0.00 H new ATOM 883 N LEU A 57 6.229 2.159 -1.418 1.00 0.00 N ATOM 884 CA LEU A 57 6.812 1.862 -2.710 1.00 0.00 C ATOM 885 C LEU A 57 6.220 0.575 -3.247 1.00 0.00 C ATOM 886 O LEU A 57 6.240 -0.467 -2.589 1.00 0.00 O ATOM 887 CB LEU A 57 8.330 1.735 -2.656 1.00 0.00 C ATOM 888 CG LEU A 57 8.945 1.350 -4.005 1.00 0.00 C ATOM 889 CD1 LEU A 57 8.678 2.471 -5.005 1.00 0.00 C ATOM 890 CD2 LEU A 57 10.436 1.116 -3.832 1.00 0.00 C ATOM 0 H LEU A 57 6.388 1.451 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 57 6.579 2.699 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.757 2.682 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.601 0.986 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 57 8.497 0.430 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.111 2.209 -5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.603 2.611 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.129 3.395 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.875 0.842 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.907 2.028 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.597 0.310 -3.116 1.00 0.00 H new ATOM 902 N PHE A 58 5.658 0.690 -4.444 1.00 0.00 N ATOM 903 CA PHE A 58 5.062 -0.404 -5.182 1.00 0.00 C ATOM 904 C PHE A 58 5.969 -0.848 -6.306 1.00 0.00 C ATOM 905 O PHE A 58 6.393 -0.055 -7.153 1.00 0.00 O ATOM 906 CB PHE A 58 3.748 0.059 -5.779 1.00 0.00 C ATOM 907 CG PHE A 58 2.660 0.265 -4.775 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.703 1.303 -3.861 1.00 0.00 C ATOM 909 CD2 PHE A 58 1.562 -0.581 -4.782 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.678 1.460 -2.952 1.00 0.00 C ATOM 911 CE2 PHE A 58 0.534 -0.417 -3.877 1.00 0.00 C ATOM 912 CZ PHE A 58 0.600 0.604 -2.954 1.00 0.00 C ATOM 0 H PHE A 58 5.606 1.580 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 58 4.904 -1.239 -4.499 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.914 0.993 -6.315 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.416 -0.675 -6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.537 1.989 -3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.511 -1.380 -5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.721 2.263 -2.231 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.316 -1.083 -3.892 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.193 0.733 -2.233 1.00 0.00 H new ATOM 922 N LYS A 59 6.249 -2.144 -6.300 1.00 0.00 N ATOM 923 CA LYS A 59 7.078 -2.766 -7.310 1.00 0.00 C ATOM 924 C LYS A 59 6.216 -3.720 -8.103 1.00 0.00 C ATOM 925 O LYS A 59 5.882 -4.813 -7.636 1.00 0.00 O ATOM 926 CB LYS A 59 8.228 -3.522 -6.669 1.00 0.00 C ATOM 927 CG LYS A 59 9.200 -2.668 -5.874 1.00 0.00 C ATOM 928 CD LYS A 59 10.261 -3.573 -5.285 1.00 0.00 C ATOM 929 CE LYS A 59 11.239 -2.839 -4.386 1.00 0.00 C ATOM 930 NZ LYS A 59 12.179 -3.806 -3.760 1.00 0.00 N ATOM 0 H LYS A 59 5.904 -2.791 -5.591 1.00 0.00 H new ATOM 0 HA LYS A 59 7.500 -2.001 -7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.817 -4.286 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.781 -4.041 -7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.657 -1.916 -6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.675 -2.134 -5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.777 -4.366 -4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.811 -4.053 -6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.795 -2.102 -4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.697 -2.294 -3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.778 -3.310 -3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.639 -4.552 -3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.778 -4.233 -4.495 1.00 0.00 H new ATOM 944 N PHE A 60 5.847 -3.315 -9.308 1.00 0.00 N ATOM 945 CA PHE A 60 4.981 -4.183 -10.085 1.00 0.00 C ATOM 946 C PHE A 60 5.886 -5.079 -10.918 1.00 0.00 C ATOM 947 O PHE A 60 6.636 -4.599 -11.768 1.00 0.00 O ATOM 948 CB PHE A 60 4.046 -3.346 -10.939 1.00 0.00 C ATOM 949 CG PHE A 60 3.098 -2.502 -10.123 1.00 0.00 C ATOM 950 CD1 PHE A 60 1.944 -3.039 -9.592 1.00 0.00 C ATOM 951 CD2 PHE A 60 3.355 -1.161 -9.868 1.00 0.00 C ATOM 952 CE1 PHE A 60 1.069 -2.281 -8.842 1.00 0.00 C ATOM 953 CE2 PHE A 60 2.481 -0.393 -9.124 1.00 0.00 C ATOM 954 CZ PHE A 60 1.333 -0.949 -8.607 1.00 0.00 C ATOM 0 H PHE A 60 6.117 -2.437 -9.751 1.00 0.00 H new ATOM 0 HA PHE A 60 4.346 -4.802 -9.451 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.637 -2.697 -11.585 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.470 -4.004 -11.589 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.719 -4.081 -9.768 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.255 -0.710 -10.259 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.175 -2.732 -8.438 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.700 0.650 -8.947 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.648 -0.350 -8.025 1.00 0.00 H new ATOM 964 N SER A 61 5.822 -6.380 -10.651 1.00 0.00 N ATOM 965 CA SER A 61 6.678 -7.357 -11.316 1.00 0.00 C ATOM 966 C SER A 61 6.186 -7.781 -12.685 1.00 0.00 C ATOM 967 O SER A 61 5.130 -7.364 -13.159 1.00 0.00 O ATOM 968 CB SER A 61 6.809 -8.619 -10.484 1.00 0.00 C ATOM 969 OG SER A 61 5.642 -9.397 -10.516 1.00 0.00 O ATOM 0 H SER A 61 5.179 -6.785 -9.971 1.00 0.00 H new ATOM 0 HA SER A 61 7.633 -6.845 -11.432 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.648 -9.210 -10.852 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.037 -8.350 -9.452 1.00 0.00 H new ATOM 0 HG SER A 61 5.707 -10.112 -9.849 1.00 0.00 H new ATOM 975 N SER A 62 6.990 -8.629 -13.321 1.00 0.00 N ATOM 976 CA SER A 62 6.657 -9.224 -14.607 1.00 0.00 C ATOM 977 C SER A 62 5.618 -10.339 -14.452 1.00 0.00 C ATOM 978 O SER A 62 5.107 -10.846 -15.451 1.00 0.00 O ATOM 979 CB SER A 62 7.905 -9.777 -15.270 1.00 0.00 C ATOM 980 OG SER A 62 8.407 -10.878 -14.564 1.00 0.00 O ATOM 0 H SER A 62 7.895 -8.923 -12.954 1.00 0.00 H new ATOM 0 HA SER A 62 6.230 -8.441 -15.234 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.676 -10.072 -16.294 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.666 -8.999 -15.325 1.00 0.00 H new ATOM 0 HG SER A 62 9.210 -11.216 -15.013 1.00 0.00 H new ATOM 986 N ARG A 63 5.329 -10.742 -13.211 1.00 0.00 N ATOM 987 CA ARG A 63 4.328 -11.754 -12.932 1.00 0.00 C ATOM 988 C ARG A 63 3.005 -11.042 -12.695 1.00 0.00 C ATOM 989 O ARG A 63 1.962 -11.565 -13.086 1.00 0.00 O ATOM 990 CB ARG A 63 4.719 -12.592 -11.728 1.00 0.00 C ATOM 991 CG ARG A 63 5.929 -13.483 -11.965 1.00 0.00 C ATOM 992 CD ARG A 63 6.325 -14.215 -10.738 1.00 0.00 C ATOM 993 NE ARG A 63 5.292 -15.135 -10.305 1.00 0.00 N ATOM 994 CZ ARG A 63 5.122 -16.396 -10.742 1.00 0.00 C ATOM 995 NH1 ARG A 63 5.926 -16.921 -11.640 1.00 0.00 N ATOM 996 NH2 ARG A 63 4.117 -17.085 -10.233 1.00 0.00 N ATOM 0 H ARG A 63 5.787 -10.371 -12.378 1.00 0.00 H new ATOM 0 HA ARG A 63 4.241 -12.439 -13.776 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.927 -11.929 -10.888 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.872 -13.215 -11.440 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.704 -14.197 -12.757 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.765 -12.875 -12.311 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.247 -14.765 -10.924 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.535 -13.502 -9.941 1.00 0.00 H new ATOM 0 HE ARG A 63 4.633 -14.795 -9.604 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.696 -16.370 -12.019 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.779 -17.879 -11.958 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.506 -16.657 -9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.951 -18.045 -10.536 1.00 0.00 H new ATOM 1010 N TYR A 64 3.078 -9.866 -12.060 1.00 0.00 N ATOM 1011 CA TYR A 64 1.931 -8.996 -11.816 1.00 0.00 C ATOM 1012 C TYR A 64 1.171 -8.768 -13.122 1.00 0.00 C ATOM 1013 O TYR A 64 1.797 -8.454 -14.132 1.00 0.00 O ATOM 1014 CB TYR A 64 2.390 -7.644 -11.250 1.00 0.00 C ATOM 1015 CG TYR A 64 1.240 -6.703 -11.017 1.00 0.00 C ATOM 1016 CD1 TYR A 64 0.533 -6.745 -9.831 1.00 0.00 C ATOM 1017 CD2 TYR A 64 0.867 -5.827 -12.024 1.00 0.00 C ATOM 1018 CE1 TYR A 64 -0.550 -5.909 -9.645 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -0.217 -4.999 -11.839 1.00 0.00 C ATOM 1020 CZ TYR A 64 -0.923 -5.035 -10.656 1.00 0.00 C ATOM 1021 OH TYR A 64 -2.006 -4.208 -10.477 1.00 0.00 O ATOM 0 H TYR A 64 3.954 -9.490 -11.697 1.00 0.00 H new ATOM 0 HA TYR A 64 1.278 -9.479 -11.089 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.920 -7.807 -10.311 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.098 -7.185 -11.940 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.827 -7.431 -9.050 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.424 -5.794 -12.949 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.104 -5.935 -8.718 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.515 -4.319 -12.623 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.133 -3.658 -11.278 1.00 0.00 H new ATOM 1031 N PRO A 65 -0.164 -8.857 -13.126 1.00 0.00 N ATOM 1032 CA PRO A 65 -1.095 -9.091 -12.039 1.00 0.00 C ATOM 1033 C PRO A 65 -1.479 -10.514 -11.704 1.00 0.00 C ATOM 1034 O PRO A 65 -2.576 -10.734 -11.199 1.00 0.00 O ATOM 1035 CB PRO A 65 -2.296 -8.301 -12.565 1.00 0.00 C ATOM 1036 CG PRO A 65 -2.244 -8.492 -14.052 1.00 0.00 C ATOM 1037 CD PRO A 65 -0.772 -8.486 -14.403 1.00 0.00 C ATOM 0 HA PRO A 65 -0.660 -8.801 -11.083 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.231 -8.675 -12.149 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.227 -7.247 -12.297 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.715 -9.431 -14.345 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.775 -7.694 -14.570 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.536 -9.200 -15.192 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.437 -7.508 -14.748 1.00 0.00 H new ATOM 1045 N PHE A 66 -0.639 -11.487 -12.024 1.00 0.00 N ATOM 1046 CA PHE A 66 -0.912 -12.851 -11.601 1.00 0.00 C ATOM 1047 C PHE A 66 -0.664 -12.895 -10.094 1.00 0.00 C ATOM 1048 O PHE A 66 -1.490 -13.389 -9.325 1.00 0.00 O ATOM 1049 CB PHE A 66 -0.051 -13.867 -12.351 1.00 0.00 C ATOM 1050 CG PHE A 66 -0.328 -15.284 -11.950 1.00 0.00 C ATOM 1051 CD1 PHE A 66 -1.480 -15.925 -12.380 1.00 0.00 C ATOM 1052 CD2 PHE A 66 0.560 -15.981 -11.147 1.00 0.00 C ATOM 1053 CE1 PHE A 66 -1.740 -17.232 -12.012 1.00 0.00 C ATOM 1054 CE2 PHE A 66 0.305 -17.287 -10.778 1.00 0.00 C ATOM 1055 CZ PHE A 66 -0.847 -17.913 -11.211 1.00 0.00 C ATOM 0 H PHE A 66 0.218 -11.363 -12.563 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.941 -13.127 -11.832 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.222 -13.759 -13.422 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.001 -13.644 -12.173 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.182 -15.398 -13.009 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.463 -15.497 -10.805 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.642 -17.720 -12.351 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.006 -17.818 -10.151 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.049 -18.934 -10.923 1.00 0.00 H new ATOM 1065 N ASP A 67 0.502 -12.385 -9.694 1.00 0.00 N ATOM 1066 CA ASP A 67 0.904 -12.278 -8.294 1.00 0.00 C ATOM 1067 C ASP A 67 0.963 -10.827 -7.819 1.00 0.00 C ATOM 1068 O ASP A 67 1.027 -9.901 -8.627 1.00 0.00 O ATOM 1069 CB ASP A 67 2.255 -12.954 -8.063 1.00 0.00 C ATOM 1070 CG ASP A 67 2.183 -14.467 -8.203 1.00 0.00 C ATOM 1071 OD1 ASP A 67 1.190 -15.034 -7.816 1.00 0.00 O ATOM 1072 OD2 ASP A 67 3.122 -15.050 -8.689 1.00 0.00 O ATOM 0 H ASP A 67 1.203 -12.030 -10.345 1.00 0.00 H new ATOM 0 HA ASP A 67 0.140 -12.790 -7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.980 -12.561 -8.775 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.618 -12.702 -7.067 1.00 0.00 H new ATOM 1077 N SER A 68 0.922 -10.658 -6.496 1.00 0.00 N ATOM 1078 CA SER A 68 0.965 -9.361 -5.821 1.00 0.00 C ATOM 1079 C SER A 68 2.232 -8.577 -6.092 1.00 0.00 C ATOM 1080 O SER A 68 3.306 -9.176 -6.178 1.00 0.00 O ATOM 1081 CB SER A 68 0.898 -9.524 -4.309 1.00 0.00 C ATOM 1082 OG SER A 68 1.050 -8.294 -3.639 1.00 0.00 O ATOM 0 H SER A 68 0.856 -11.442 -5.847 1.00 0.00 H new ATOM 0 HA SER A 68 0.104 -8.824 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.057 -9.971 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.677 -10.213 -3.984 1.00 0.00 H new ATOM 0 HG SER A 68 1.957 -7.952 -3.785 1.00 0.00 H new ATOM 1088 N PRO A 69 2.142 -7.254 -6.243 1.00 0.00 N ATOM 1089 CA PRO A 69 3.290 -6.406 -6.380 1.00 0.00 C ATOM 1090 C PRO A 69 3.920 -6.322 -4.997 1.00 0.00 C ATOM 1091 O PRO A 69 3.278 -6.706 -4.010 1.00 0.00 O ATOM 1092 CB PRO A 69 2.661 -5.099 -6.853 1.00 0.00 C ATOM 1093 CG PRO A 69 1.282 -5.117 -6.243 1.00 0.00 C ATOM 1094 CD PRO A 69 0.839 -6.571 -6.222 1.00 0.00 C ATOM 0 HA PRO A 69 4.078 -6.722 -7.064 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.235 -4.235 -6.517 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.616 -5.048 -7.941 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.298 -4.702 -5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.591 -4.509 -6.827 1.00 0.00 H new ATOM 0 HD2 PRO A 69 0.259 -6.814 -5.332 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.223 -6.828 -7.084 1.00 0.00 H new ATOM 1102 N GLN A 70 5.179 -5.895 -4.917 1.00 0.00 N ATOM 1103 CA GLN A 70 5.770 -5.775 -3.589 1.00 0.00 C ATOM 1104 C GLN A 70 5.373 -4.410 -3.069 1.00 0.00 C ATOM 1105 O GLN A 70 5.555 -3.406 -3.755 1.00 0.00 O ATOM 1106 CB GLN A 70 7.293 -5.945 -3.570 1.00 0.00 C ATOM 1107 CG GLN A 70 7.854 -5.909 -2.152 1.00 0.00 C ATOM 1108 CD GLN A 70 9.346 -6.192 -2.035 1.00 0.00 C ATOM 1109 OE1 GLN A 70 10.212 -5.526 -2.611 1.00 0.00 O ATOM 1110 NE2 GLN A 70 9.658 -7.225 -1.259 1.00 0.00 N ATOM 0 H GLN A 70 5.777 -5.641 -5.703 1.00 0.00 H new ATOM 0 HA GLN A 70 5.398 -6.582 -2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.558 -6.892 -4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.754 -5.154 -4.162 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.653 -4.927 -1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.314 -6.637 -1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.920 -7.756 -0.796 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.635 -7.486 -1.126 1.00 0.00 H new ATOM 1119 N VAL A 71 4.792 -4.360 -1.873 1.00 0.00 N ATOM 1120 CA VAL A 71 4.386 -3.072 -1.324 1.00 0.00 C ATOM 1121 C VAL A 71 4.979 -2.877 0.057 1.00 0.00 C ATOM 1122 O VAL A 71 4.617 -3.595 0.990 1.00 0.00 O ATOM 1123 CB VAL A 71 2.865 -2.961 -1.228 1.00 0.00 C ATOM 1124 CG1 VAL A 71 2.508 -1.591 -0.672 1.00 0.00 C ATOM 1125 CG2 VAL A 71 2.265 -3.237 -2.594 1.00 0.00 C ATOM 0 H VAL A 71 4.597 -5.169 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 71 4.754 -2.300 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 71 2.447 -3.700 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.424 -1.499 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.950 -1.473 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.893 -0.817 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.179 -3.160 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.643 -2.508 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.541 -4.241 -2.917 1.00 0.00 H new ATOM 1135 N MET A 72 5.886 -1.915 0.186 1.00 0.00 N ATOM 1136 CA MET A 72 6.524 -1.682 1.479 1.00 0.00 C ATOM 1137 C MET A 72 6.651 -0.207 1.837 1.00 0.00 C ATOM 1138 O MET A 72 6.666 0.664 0.970 1.00 0.00 O ATOM 1139 CB MET A 72 7.912 -2.333 1.504 1.00 0.00 C ATOM 1140 CG MET A 72 7.918 -3.848 1.319 1.00 0.00 C ATOM 1141 SD MET A 72 9.561 -4.593 1.400 1.00 0.00 S ATOM 1142 CE MET A 72 9.911 -4.569 3.154 1.00 0.00 C ATOM 0 H MET A 72 6.191 -1.298 -0.566 1.00 0.00 H new ATOM 0 HA MET A 72 5.873 -2.135 2.227 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.521 -1.884 0.720 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.391 -2.096 2.454 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.288 -4.299 2.085 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.469 -4.088 0.355 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.916 -4.952 3.330 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.842 -3.546 3.525 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.188 -5.194 3.678 1.00 0.00 H new ATOM 1152 N PHE A 73 6.741 0.084 3.130 1.00 0.00 N ATOM 1153 CA PHE A 73 6.941 1.467 3.534 1.00 0.00 C ATOM 1154 C PHE A 73 8.388 1.810 3.245 1.00 0.00 C ATOM 1155 O PHE A 73 9.277 0.970 3.391 1.00 0.00 O ATOM 1156 CB PHE A 73 6.607 1.753 5.004 1.00 0.00 C ATOM 1157 CG PHE A 73 5.144 1.814 5.323 1.00 0.00 C ATOM 1158 CD1 PHE A 73 4.434 2.979 5.073 1.00 0.00 C ATOM 1159 CD2 PHE A 73 4.469 0.737 5.868 1.00 0.00 C ATOM 1160 CE1 PHE A 73 3.084 3.058 5.353 1.00 0.00 C ATOM 1161 CE2 PHE A 73 3.115 0.826 6.143 1.00 0.00 C ATOM 1162 CZ PHE A 73 2.419 1.982 5.892 1.00 0.00 C ATOM 0 H PHE A 73 6.681 -0.593 3.891 1.00 0.00 H new ATOM 0 HA PHE A 73 6.247 2.089 2.968 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.066 0.981 5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.065 2.701 5.287 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.943 3.835 4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.001 -0.179 6.080 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.547 3.972 5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.599 -0.026 6.561 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.364 2.046 6.115 1.00 0.00 H new ATOM 1172 N THR A 74 8.619 3.044 2.827 1.00 0.00 N ATOM 1173 CA THR A 74 9.968 3.477 2.498 1.00 0.00 C ATOM 1174 C THR A 74 10.219 4.950 2.760 1.00 0.00 C ATOM 1175 O THR A 74 9.298 5.764 2.756 1.00 0.00 O ATOM 1176 CB THR A 74 10.281 3.217 1.020 1.00 0.00 C ATOM 1177 OG1 THR A 74 11.663 3.519 0.775 1.00 0.00 O ATOM 1178 CG2 THR A 74 9.401 4.101 0.148 1.00 0.00 C ATOM 0 H THR A 74 7.899 3.757 2.708 1.00 0.00 H new ATOM 0 HA THR A 74 10.615 2.893 3.153 1.00 0.00 H new ATOM 0 HB THR A 74 10.085 2.172 0.780 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.872 3.354 -0.168 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.625 3.915 -0.902 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.353 3.874 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.594 5.148 0.380 1.00 0.00 H new ATOM 1186 N GLY A 75 11.486 5.278 2.973 1.00 0.00 N ATOM 1187 CA GLY A 75 11.895 6.651 3.238 1.00 0.00 C ATOM 1188 C GLY A 75 12.127 6.935 4.715 1.00 0.00 C ATOM 1189 O GLY A 75 12.373 6.028 5.511 1.00 0.00 O ATOM 0 H GLY A 75 12.254 4.606 2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.811 6.863 2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.131 7.330 2.860 1.00 0.00 H new ATOM 1193 N GLU A 76 12.044 8.219 5.060 1.00 0.00 N ATOM 1194 CA GLU A 76 12.262 8.739 6.407 1.00 0.00 C ATOM 1195 C GLU A 76 11.216 8.389 7.470 1.00 0.00 C ATOM 1196 O GLU A 76 11.439 8.678 8.645 1.00 0.00 O ATOM 1197 CB GLU A 76 12.370 10.266 6.344 1.00 0.00 C ATOM 1198 CG GLU A 76 11.083 10.989 5.964 1.00 0.00 C ATOM 1199 CD GLU A 76 10.872 11.108 4.476 1.00 0.00 C ATOM 1200 OE1 GLU A 76 11.493 10.378 3.742 1.00 0.00 O ATOM 1201 OE2 GLU A 76 10.087 11.937 4.077 1.00 0.00 O ATOM 0 H GLU A 76 11.815 8.950 4.386 1.00 0.00 H new ATOM 0 HA GLU A 76 13.177 8.244 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 76 12.701 10.632 7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.144 10.531 5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.236 10.459 6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.095 11.987 6.401 1.00 0.00 H new ATOM 1208 N ASN A 77 10.089 7.786 7.094 1.00 0.00 N ATOM 1209 CA ASN A 77 9.085 7.468 8.099 1.00 0.00 C ATOM 1210 C ASN A 77 8.485 6.082 7.976 1.00 0.00 C ATOM 1211 O ASN A 77 7.517 5.882 7.243 1.00 0.00 O ATOM 1212 CB ASN A 77 7.934 8.458 8.070 1.00 0.00 C ATOM 1213 CG ASN A 77 6.963 8.185 9.193 1.00 0.00 C ATOM 1214 OD1 ASN A 77 7.348 7.541 10.174 1.00 0.00 O ATOM 1215 ND2 ASN A 77 5.737 8.633 9.077 1.00 0.00 N ATOM 0 H ASN A 77 9.856 7.518 6.138 1.00 0.00 H new ATOM 0 HA ASN A 77 9.636 7.521 9.038 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.320 9.474 8.156 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.417 8.393 7.113 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.057 8.454 9.815 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.463 9.161 8.248 1.00 0.00 H new ATOM 1222 N ILE A 78 9.073 5.128 8.687 1.00 0.00 N ATOM 1223 CA ILE A 78 8.493 3.798 8.743 1.00 0.00 C ATOM 1224 C ILE A 78 7.644 3.914 10.008 1.00 0.00 C ATOM 1225 O ILE A 78 8.212 4.097 11.085 1.00 0.00 O ATOM 1226 CB ILE A 78 9.534 2.673 8.843 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.544 2.786 7.699 1.00 0.00 C ATOM 1228 CG2 ILE A 78 8.825 1.332 8.770 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.919 2.721 6.331 1.00 0.00 C ATOM 0 H ILE A 78 9.933 5.248 9.222 1.00 0.00 H new ATOM 0 HA ILE A 78 7.943 3.525 7.842 1.00 0.00 H new ATOM 0 HB ILE A 78 10.067 2.757 9.790 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.086 3.726 7.797 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.277 1.984 7.792 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.558 0.528 8.840 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.116 1.250 9.594 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.291 1.254 7.823 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.696 2.808 5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.400 1.770 6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.207 3.539 6.217 1.00 0.00 H new ATOM 1241 N PRO A 79 6.317 3.820 9.931 1.00 0.00 N ATOM 1242 CA PRO A 79 5.446 4.054 11.060 1.00 0.00 C ATOM 1243 C PRO A 79 5.408 3.038 12.184 1.00 0.00 C ATOM 1244 O PRO A 79 5.664 1.848 11.995 1.00 0.00 O ATOM 1245 CB PRO A 79 4.093 4.086 10.348 1.00 0.00 C ATOM 1246 CG PRO A 79 4.261 3.225 9.126 1.00 0.00 C ATOM 1247 CD PRO A 79 5.684 3.438 8.664 1.00 0.00 C ATOM 0 HA PRO A 79 5.779 4.935 11.609 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.302 3.703 10.992 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.817 5.105 10.075 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.078 2.176 9.359 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.551 3.507 8.348 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.121 2.536 8.237 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.763 4.219 7.908 1.00 0.00 H new ATOM 1255 N VAL A 80 5.065 3.549 13.366 1.00 0.00 N ATOM 1256 CA VAL A 80 4.881 2.720 14.545 1.00 0.00 C ATOM 1257 C VAL A 80 3.479 2.173 14.395 1.00 0.00 C ATOM 1258 O VAL A 80 2.500 2.924 14.421 1.00 0.00 O ATOM 1259 CB VAL A 80 5.042 3.507 15.857 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.771 2.586 17.037 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.450 4.079 15.935 1.00 0.00 C ATOM 0 H VAL A 80 4.909 4.544 13.528 1.00 0.00 H new ATOM 0 HA VAL A 80 5.637 1.937 14.608 1.00 0.00 H new ATOM 0 HB VAL A 80 4.328 4.330 15.886 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.885 3.143 17.967 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.755 2.197 16.969 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.479 1.757 17.022 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.565 4.637 16.864 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.175 3.266 15.908 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.620 4.745 15.089 1.00 0.00 H new ATOM 1271 N HIS A 81 3.394 0.864 14.256 1.00 0.00 N ATOM 1272 CA HIS A 81 2.126 0.240 13.959 1.00 0.00 C ATOM 1273 C HIS A 81 2.162 -1.252 14.266 1.00 0.00 C ATOM 1274 O HIS A 81 3.180 -1.887 13.996 1.00 0.00 O ATOM 1275 CB HIS A 81 1.848 0.473 12.473 1.00 0.00 C ATOM 1276 CG HIS A 81 0.519 0.076 11.942 1.00 0.00 C ATOM 1277 ND1 HIS A 81 0.171 -1.237 11.729 1.00 0.00 N ATOM 1278 CD2 HIS A 81 -0.539 0.816 11.549 1.00 0.00 C ATOM 1279 CE1 HIS A 81 -1.049 -1.284 11.234 1.00 0.00 C ATOM 1280 NE2 HIS A 81 -1.502 -0.053 11.113 1.00 0.00 N ATOM 0 H HIS A 81 4.181 0.221 14.343 1.00 0.00 H new ATOM 0 HA HIS A 81 1.338 0.672 14.576 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.985 1.535 12.270 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.608 -0.061 11.903 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.612 1.893 11.574 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.588 -2.182 10.971 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -2.420 0.209 10.753 1.00 0.00 H new ATOM 1288 N PRO A 82 1.091 -1.856 14.797 1.00 0.00 N ATOM 1289 CA PRO A 82 1.016 -3.278 15.078 1.00 0.00 C ATOM 1290 C PRO A 82 1.401 -4.201 13.920 1.00 0.00 C ATOM 1291 O PRO A 82 1.878 -5.311 14.160 1.00 0.00 O ATOM 1292 CB PRO A 82 -0.464 -3.404 15.463 1.00 0.00 C ATOM 1293 CG PRO A 82 -0.803 -2.066 16.056 1.00 0.00 C ATOM 1294 CD PRO A 82 -0.040 -1.043 15.259 1.00 0.00 C ATOM 0 HA PRO A 82 1.732 -3.597 15.835 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.085 -3.624 14.594 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.622 -4.210 16.180 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.875 -1.878 16.004 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.523 -2.026 17.109 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.626 -0.639 14.433 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.279 -0.196 15.867 1.00 0.00 H new ATOM 1302 N HIS A 83 1.192 -3.763 12.679 1.00 0.00 N ATOM 1303 CA HIS A 83 1.518 -4.560 11.509 1.00 0.00 C ATOM 1304 C HIS A 83 2.663 -3.988 10.668 1.00 0.00 C ATOM 1305 O HIS A 83 2.856 -4.401 9.525 1.00 0.00 O ATOM 1306 CB HIS A 83 0.274 -4.671 10.636 1.00 0.00 C ATOM 1307 CG HIS A 83 -0.864 -5.336 11.346 1.00 0.00 C ATOM 1308 ND1 HIS A 83 -1.745 -4.639 12.148 1.00 0.00 N ATOM 1309 CD2 HIS A 83 -1.265 -6.628 11.383 1.00 0.00 C ATOM 1310 CE1 HIS A 83 -2.639 -5.475 12.647 1.00 0.00 C ATOM 1311 NE2 HIS A 83 -2.371 -6.686 12.196 1.00 0.00 N ATOM 0 H HIS A 83 0.794 -2.849 12.462 1.00 0.00 H new ATOM 0 HA HIS A 83 1.853 -5.532 11.871 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.033 -3.675 10.317 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.515 -5.234 9.735 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.802 -7.458 10.870 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.450 -5.212 13.310 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.900 -7.530 12.416 1.00 0.00 H new ATOM 1319 N VAL A 84 3.436 -3.033 11.186 1.00 0.00 N ATOM 1320 CA VAL A 84 4.522 -2.500 10.361 1.00 0.00 C ATOM 1321 C VAL A 84 5.864 -2.698 11.034 1.00 0.00 C ATOM 1322 O VAL A 84 6.055 -2.386 12.210 1.00 0.00 O ATOM 1323 CB VAL A 84 4.340 -1.009 10.023 1.00 0.00 C ATOM 1324 CG1 VAL A 84 5.523 -0.513 9.201 1.00 0.00 C ATOM 1325 CG2 VAL A 84 3.049 -0.835 9.239 1.00 0.00 C ATOM 0 H VAL A 84 3.342 -2.631 12.119 1.00 0.00 H new ATOM 0 HA VAL A 84 4.491 -3.061 9.427 1.00 0.00 H new ATOM 0 HB VAL A 84 4.290 -0.427 10.943 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.386 0.543 8.966 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.442 -0.641 9.772 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.588 -1.085 8.275 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.911 0.218 8.995 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.101 -1.417 8.319 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.209 -1.181 9.841 1.00 0.00 H new ATOM 1335 N TYR A 85 6.797 -3.229 10.259 1.00 0.00 N ATOM 1336 CA TYR A 85 8.125 -3.520 10.752 1.00 0.00 C ATOM 1337 C TYR A 85 9.069 -2.434 10.283 1.00 0.00 C ATOM 1338 O TYR A 85 8.808 -1.803 9.261 1.00 0.00 O ATOM 1339 CB TYR A 85 8.528 -4.896 10.262 1.00 0.00 C ATOM 1340 CG TYR A 85 7.539 -5.901 10.802 1.00 0.00 C ATOM 1341 CD1 TYR A 85 7.676 -6.416 12.077 1.00 0.00 C ATOM 1342 CD2 TYR A 85 6.460 -6.282 10.017 1.00 0.00 C ATOM 1343 CE1 TYR A 85 6.737 -7.310 12.549 1.00 0.00 C ATOM 1344 CE2 TYR A 85 5.525 -7.179 10.487 1.00 0.00 C ATOM 1345 CZ TYR A 85 5.667 -7.697 11.768 1.00 0.00 C ATOM 1346 OH TYR A 85 4.740 -8.594 12.254 1.00 0.00 O ATOM 0 H TYR A 85 6.652 -3.467 9.278 1.00 0.00 H new ATOM 0 HA TYR A 85 8.157 -3.532 11.841 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.539 -4.923 9.172 1.00 0.00 H new ATOM 0 HB3 TYR A 85 9.536 -5.138 10.597 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.509 -6.122 12.698 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.351 -5.870 9.025 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.841 -7.713 13.545 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.692 -7.476 9.867 1.00 0.00 H new ATOM 0 HH TYR A 85 4.053 -8.755 11.574 1.00 0.00 H new ATOM 1356 N SER A 86 10.172 -2.240 11.007 1.00 0.00 N ATOM 1357 CA SER A 86 11.138 -1.170 10.746 1.00 0.00 C ATOM 1358 C SER A 86 11.839 -1.243 9.395 1.00 0.00 C ATOM 1359 O SER A 86 12.408 -0.250 8.938 1.00 0.00 O ATOM 1360 CB SER A 86 12.199 -1.181 11.827 1.00 0.00 C ATOM 1361 OG SER A 86 12.982 -2.340 11.741 1.00 0.00 O ATOM 0 H SER A 86 10.424 -2.828 11.801 1.00 0.00 H new ATOM 0 HA SER A 86 10.552 -0.251 10.740 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.833 -0.300 11.730 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.726 -1.127 12.808 1.00 0.00 H new ATOM 0 HG SER A 86 13.663 -2.328 12.446 1.00 0.00 H new ATOM 1367 N ASN A 87 11.811 -2.407 8.756 1.00 0.00 N ATOM 1368 CA ASN A 87 12.368 -2.569 7.426 1.00 0.00 C ATOM 1369 C ASN A 87 11.371 -2.227 6.311 1.00 0.00 C ATOM 1370 O ASN A 87 11.696 -2.375 5.129 1.00 0.00 O ATOM 1371 CB ASN A 87 12.874 -3.990 7.289 1.00 0.00 C ATOM 1372 CG ASN A 87 11.777 -5.011 7.383 1.00 0.00 C ATOM 1373 OD1 ASN A 87 10.586 -4.684 7.434 1.00 0.00 O ATOM 1374 ND2 ASN A 87 12.161 -6.262 7.412 1.00 0.00 N ATOM 0 H ASN A 87 11.404 -3.257 9.145 1.00 0.00 H new ATOM 0 HA ASN A 87 13.189 -1.861 7.309 1.00 0.00 H new ATOM 0 HB2 ASN A 87 13.384 -4.098 6.332 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.612 -4.184 8.067 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.467 -7.007 7.479 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.154 -6.492 7.368 1.00 0.00 H new ATOM 1381 N GLY A 88 10.174 -1.752 6.683 1.00 0.00 N ATOM 1382 CA GLY A 88 9.121 -1.366 5.754 1.00 0.00 C ATOM 1383 C GLY A 88 8.066 -2.452 5.541 1.00 0.00 C ATOM 1384 O GLY A 88 7.066 -2.219 4.859 1.00 0.00 O ATOM 0 H GLY A 88 9.913 -1.626 7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.633 -0.465 6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.570 -1.113 4.793 1.00 0.00 H new ATOM 1388 N HIS A 89 8.268 -3.640 6.111 1.00 0.00 N ATOM 1389 CA HIS A 89 7.323 -4.733 5.899 1.00 0.00 C ATOM 1390 C HIS A 89 5.941 -4.467 6.477 1.00 0.00 C ATOM 1391 O HIS A 89 5.772 -3.962 7.587 1.00 0.00 O ATOM 1392 CB HIS A 89 7.889 -6.038 6.463 1.00 0.00 C ATOM 1393 CG HIS A 89 7.064 -7.246 6.156 1.00 0.00 C ATOM 1394 ND1 HIS A 89 5.909 -7.552 6.843 1.00 0.00 N ATOM 1395 CD2 HIS A 89 7.223 -8.223 5.233 1.00 0.00 C ATOM 1396 CE1 HIS A 89 5.394 -8.668 6.359 1.00 0.00 C ATOM 1397 NE2 HIS A 89 6.173 -9.095 5.381 1.00 0.00 N ATOM 0 H HIS A 89 9.061 -3.867 6.711 1.00 0.00 H new ATOM 0 HA HIS A 89 7.192 -4.818 4.820 1.00 0.00 H new ATOM 0 HB2 HIS A 89 8.893 -6.187 6.066 1.00 0.00 H new ATOM 0 HB3 HIS A 89 7.985 -5.942 7.545 1.00 0.00 H new ATOM 0 HD1 HIS A 89 5.514 -7.003 7.606 1.00 0.00 H new ATOM 0 HD2 HIS A 89 8.026 -8.302 4.515 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.491 -9.149 6.704 1.00 0.00 H new ATOM 1405 N ILE A 90 4.936 -4.822 5.683 1.00 0.00 N ATOM 1406 CA ILE A 90 3.538 -4.628 6.037 1.00 0.00 C ATOM 1407 C ILE A 90 2.812 -5.955 6.213 1.00 0.00 C ATOM 1408 O ILE A 90 2.739 -6.748 5.272 1.00 0.00 O ATOM 1409 CB ILE A 90 2.805 -3.838 4.940 1.00 0.00 C ATOM 1410 CG1 ILE A 90 3.466 -2.481 4.733 1.00 0.00 C ATOM 1411 CG2 ILE A 90 1.348 -3.653 5.337 1.00 0.00 C ATOM 1412 CD1 ILE A 90 2.943 -1.729 3.532 1.00 0.00 C ATOM 0 H ILE A 90 5.072 -5.255 4.770 1.00 0.00 H new ATOM 0 HA ILE A 90 3.530 -4.078 6.978 1.00 0.00 H new ATOM 0 HB ILE A 90 2.858 -4.394 4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.315 -1.873 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.541 -2.623 4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.827 -3.093 4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.877 -4.629 5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.294 -3.105 6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.460 -0.773 3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.118 -2.316 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.873 -1.555 3.649 1.00 0.00 H new ATOM 1424 N CYS A 91 2.261 -6.203 7.396 1.00 0.00 N ATOM 1425 CA CYS A 91 1.515 -7.434 7.596 1.00 0.00 C ATOM 1426 C CYS A 91 0.046 -7.133 7.348 1.00 0.00 C ATOM 1427 O CYS A 91 -0.695 -6.716 8.236 1.00 0.00 O ATOM 1428 CB CYS A 91 1.721 -7.992 9.003 1.00 0.00 C ATOM 1429 SG CYS A 91 0.855 -9.551 9.301 1.00 0.00 S ATOM 0 H CYS A 91 2.315 -5.587 8.207 1.00 0.00 H new ATOM 0 HA CYS A 91 1.871 -8.195 6.902 1.00 0.00 H new ATOM 0 HB2 CYS A 91 2.787 -8.141 9.173 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.383 -7.254 9.730 1.00 0.00 H new ATOM 0 HG CYS A 91 1.087 -9.951 10.516 1.00 0.00 H new ATOM 1435 N LEU A 92 -0.362 -7.371 6.113 1.00 0.00 N ATOM 1436 CA LEU A 92 -1.716 -7.115 5.662 1.00 0.00 C ATOM 1437 C LEU A 92 -2.043 -8.199 4.656 1.00 0.00 C ATOM 1438 O LEU A 92 -1.257 -8.416 3.735 1.00 0.00 O ATOM 1439 CB LEU A 92 -1.799 -5.704 5.069 1.00 0.00 C ATOM 1440 CG LEU A 92 -3.141 -5.233 4.515 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -4.159 -5.126 5.638 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -2.933 -3.875 3.869 1.00 0.00 C ATOM 0 H LEU A 92 0.246 -7.752 5.388 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.444 -7.146 6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.492 -4.999 5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.065 -5.636 4.266 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.517 -5.945 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.113 -4.789 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.288 -6.102 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.807 -4.410 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.879 -3.516 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.566 -3.170 4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.204 -3.963 3.063 1.00 0.00 H new ATOM 1454 N SER A 93 -3.192 -8.859 4.811 1.00 0.00 N ATOM 1455 CA SER A 93 -3.540 -10.007 3.973 1.00 0.00 C ATOM 1456 C SER A 93 -3.619 -9.737 2.477 1.00 0.00 C ATOM 1457 O SER A 93 -3.327 -10.628 1.679 1.00 0.00 O ATOM 1458 CB SER A 93 -4.877 -10.566 4.413 1.00 0.00 C ATOM 1459 OG SER A 93 -5.908 -9.651 4.153 1.00 0.00 O ATOM 0 H SER A 93 -3.896 -8.618 5.508 1.00 0.00 H new ATOM 0 HA SER A 93 -2.717 -10.707 4.114 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.075 -11.502 3.891 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.848 -10.795 5.478 1.00 0.00 H new ATOM 0 HG SER A 93 -6.764 -10.031 4.443 1.00 0.00 H new ATOM 1465 N ILE A 94 -3.936 -8.504 2.082 1.00 0.00 N ATOM 1466 CA ILE A 94 -3.995 -8.147 0.668 1.00 0.00 C ATOM 1467 C ILE A 94 -2.605 -8.142 0.025 1.00 0.00 C ATOM 1468 O ILE A 94 -2.491 -8.068 -1.195 1.00 0.00 O ATOM 1469 CB ILE A 94 -4.688 -6.789 0.456 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -5.186 -6.710 -0.985 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -3.696 -5.656 0.681 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -6.199 -5.624 -1.238 1.00 0.00 C ATOM 0 H ILE A 94 -4.155 -7.739 2.720 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.591 -8.915 0.175 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.516 -6.697 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.331 -6.553 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.625 -7.670 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.196 -4.699 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.311 -5.706 1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.870 -5.750 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -6.497 -5.641 -2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.074 -5.789 -0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.760 -4.655 -1.001 1.00 0.00 H new ATOM 1484 N LEU A 95 -1.545 -8.168 0.830 1.00 0.00 N ATOM 1485 CA LEU A 95 -0.183 -8.205 0.336 1.00 0.00 C ATOM 1486 C LEU A 95 0.428 -9.604 0.445 1.00 0.00 C ATOM 1487 O LEU A 95 1.638 -9.764 0.272 1.00 0.00 O ATOM 1488 CB LEU A 95 0.655 -7.196 1.122 1.00 0.00 C ATOM 1489 CG LEU A 95 0.169 -5.754 0.973 1.00 0.00 C ATOM 1490 CD1 LEU A 95 1.026 -4.826 1.814 1.00 0.00 C ATOM 1491 CD2 LEU A 95 0.218 -5.405 -0.498 1.00 0.00 C ATOM 0 H LEU A 95 -1.614 -8.164 1.848 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.192 -7.944 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.642 -7.468 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 95 1.691 -7.258 0.789 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.854 -5.641 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.672 -3.801 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.960 -5.119 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.063 -4.890 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.123 -4.380 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.241 -5.500 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.429 -6.083 -1.055 1.00 0.00 H new ATOM 1503 N THR A 96 -0.397 -10.614 0.737 1.00 0.00 N ATOM 1504 CA THR A 96 0.065 -11.989 0.885 1.00 0.00 C ATOM 1505 C THR A 96 -0.499 -12.818 -0.257 1.00 0.00 C ATOM 1506 O THR A 96 -0.968 -12.278 -1.259 1.00 0.00 O ATOM 1507 CB THR A 96 -0.410 -12.628 2.203 1.00 0.00 C ATOM 1508 OG1 THR A 96 -1.827 -12.845 2.130 1.00 0.00 O ATOM 1509 CG2 THR A 96 -0.108 -11.696 3.364 1.00 0.00 C ATOM 0 H THR A 96 -1.401 -10.497 0.876 1.00 0.00 H new ATOM 0 HA THR A 96 1.155 -11.970 0.882 1.00 0.00 H new ATOM 0 HB THR A 96 0.108 -13.575 2.357 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.267 -12.029 1.811 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.446 -12.152 4.294 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.966 -11.517 3.417 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.627 -10.749 3.215 1.00 0.00 H new ATOM 1517 N GLU A 97 -0.472 -14.138 -0.074 1.00 0.00 N ATOM 1518 CA GLU A 97 -0.970 -15.127 -1.026 1.00 0.00 C ATOM 1519 C GLU A 97 -2.476 -15.005 -1.247 1.00 0.00 C ATOM 1520 O GLU A 97 -2.997 -15.512 -2.242 1.00 0.00 O ATOM 1521 CB GLU A 97 -0.635 -16.537 -0.538 1.00 0.00 C ATOM 1522 CG GLU A 97 0.851 -16.866 -0.553 1.00 0.00 C ATOM 1523 CD GLU A 97 1.150 -18.249 -0.045 1.00 0.00 C ATOM 1524 OE1 GLU A 97 0.247 -18.899 0.424 1.00 0.00 O ATOM 1525 OE2 GLU A 97 2.285 -18.656 -0.126 1.00 0.00 O ATOM 0 H GLU A 97 -0.089 -14.561 0.771 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.478 -14.937 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.012 -16.657 0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.162 -17.260 -1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.229 -16.769 -1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.385 -16.137 0.057 1.00 0.00 H new ATOM 1532 N ASP A 98 -3.179 -14.348 -0.321 1.00 0.00 N ATOM 1533 CA ASP A 98 -4.605 -14.093 -0.456 1.00 0.00 C ATOM 1534 C ASP A 98 -4.927 -13.067 -1.554 1.00 0.00 C ATOM 1535 O ASP A 98 -6.094 -12.929 -1.928 1.00 0.00 O ATOM 1536 CB ASP A 98 -5.185 -13.611 0.875 1.00 0.00 C ATOM 1537 CG ASP A 98 -5.256 -14.712 1.924 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -5.157 -15.861 1.563 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -5.421 -14.394 3.078 1.00 0.00 O ATOM 0 H ASP A 98 -2.772 -13.981 0.539 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.063 -15.038 -0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.575 -12.792 1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.185 -13.212 0.706 1.00 0.00 H new ATOM 1544 N TRP A 99 -3.926 -12.333 -2.058 1.00 0.00 N ATOM 1545 CA TRP A 99 -4.163 -11.369 -3.123 1.00 0.00 C ATOM 1546 C TRP A 99 -4.570 -12.100 -4.391 1.00 0.00 C ATOM 1547 O TRP A 99 -4.023 -13.150 -4.734 1.00 0.00 O ATOM 1548 CB TRP A 99 -2.923 -10.525 -3.415 1.00 0.00 C ATOM 1549 CG TRP A 99 -3.144 -9.426 -4.424 1.00 0.00 C ATOM 1550 CD1 TRP A 99 -3.607 -8.178 -4.146 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -2.922 -9.447 -5.856 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -3.684 -7.425 -5.287 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -3.272 -8.183 -6.344 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -2.467 -10.419 -6.749 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -3.176 -7.856 -7.684 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -2.377 -10.086 -8.090 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -2.718 -8.842 -8.547 1.00 0.00 C ATOM 0 H TRP A 99 -2.957 -12.392 -1.745 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.959 -10.703 -2.791 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -2.572 -10.082 -2.483 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -2.129 -11.179 -3.776 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.877 -7.829 -3.160 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -3.998 -6.456 -5.338 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -2.192 -11.405 -6.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -3.446 -6.874 -8.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -2.029 -10.827 -8.794 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -2.629 -8.623 -9.601 1.00 0.00 H new ATOM 1568 N SER A 100 -5.523 -11.510 -5.088 1.00 0.00 N ATOM 1569 CA SER A 100 -6.085 -12.038 -6.314 1.00 0.00 C ATOM 1570 C SER A 100 -5.956 -11.048 -7.453 1.00 0.00 C ATOM 1571 O SER A 100 -6.055 -9.852 -7.201 1.00 0.00 O ATOM 1572 CB SER A 100 -7.560 -12.343 -6.131 1.00 0.00 C ATOM 1573 OG SER A 100 -8.156 -12.713 -7.348 1.00 0.00 O ATOM 0 H SER A 100 -5.939 -10.622 -4.806 1.00 0.00 H new ATOM 0 HA SER A 100 -5.531 -12.946 -6.553 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.681 -13.147 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.068 -11.468 -5.725 1.00 0.00 H new ATOM 0 HG SER A 100 -9.106 -12.906 -7.202 1.00 0.00 H new ATOM 1579 N PRO A 101 -5.743 -11.500 -8.696 1.00 0.00 N ATOM 1580 CA PRO A 101 -5.720 -10.687 -9.902 1.00 0.00 C ATOM 1581 C PRO A 101 -6.962 -9.807 -10.068 1.00 0.00 C ATOM 1582 O PRO A 101 -6.920 -8.797 -10.770 1.00 0.00 O ATOM 1583 CB PRO A 101 -5.615 -11.772 -10.979 1.00 0.00 C ATOM 1584 CG PRO A 101 -4.890 -12.905 -10.304 1.00 0.00 C ATOM 1585 CD PRO A 101 -5.347 -12.904 -8.867 1.00 0.00 C ATOM 0 HA PRO A 101 -4.915 -9.952 -9.921 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.600 -12.083 -11.327 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.067 -11.414 -11.851 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.121 -13.856 -10.785 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.810 -12.769 -10.369 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.178 -13.590 -8.699 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.551 -13.194 -8.181 1.00 0.00 H new ATOM 1593 N ALA A 102 -8.080 -10.212 -9.453 1.00 0.00 N ATOM 1594 CA ALA A 102 -9.324 -9.453 -9.446 1.00 0.00 C ATOM 1595 C ALA A 102 -9.202 -8.156 -8.634 1.00 0.00 C ATOM 1596 O ALA A 102 -9.976 -7.221 -8.847 1.00 0.00 O ATOM 1597 CB ALA A 102 -10.442 -10.309 -8.875 1.00 0.00 C ATOM 0 H ALA A 102 -8.140 -11.091 -8.940 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.550 -9.179 -10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.371 -9.739 -8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.567 -11.201 -9.488 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.192 -10.602 -7.855 1.00 0.00 H new ATOM 1603 N LEU A 103 -8.248 -8.100 -7.704 1.00 0.00 N ATOM 1604 CA LEU A 103 -8.014 -6.938 -6.862 1.00 0.00 C ATOM 1605 C LEU A 103 -7.069 -6.013 -7.605 1.00 0.00 C ATOM 1606 O LEU A 103 -6.215 -6.484 -8.356 1.00 0.00 O ATOM 1607 CB LEU A 103 -7.394 -7.353 -5.522 1.00 0.00 C ATOM 1608 CG LEU A 103 -8.230 -8.318 -4.676 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -7.449 -8.695 -3.427 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -9.549 -7.652 -4.319 1.00 0.00 C ATOM 0 H LEU A 103 -7.610 -8.874 -7.516 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.958 -6.437 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.426 -7.815 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.206 -6.454 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.443 -9.229 -5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.040 -9.382 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.514 -9.177 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.232 -7.797 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.149 -8.334 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.355 -6.741 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.090 -7.403 -5.232 1.00 0.00 H new ATOM 1622 N SER A 104 -7.195 -4.706 -7.401 1.00 0.00 N ATOM 1623 CA SER A 104 -6.310 -3.810 -8.134 1.00 0.00 C ATOM 1624 C SER A 104 -5.377 -3.004 -7.229 1.00 0.00 C ATOM 1625 O SER A 104 -5.214 -3.306 -6.045 1.00 0.00 O ATOM 1626 CB SER A 104 -7.157 -2.907 -9.021 1.00 0.00 C ATOM 1627 OG SER A 104 -6.345 -2.153 -9.879 1.00 0.00 O ATOM 0 H SER A 104 -7.862 -4.262 -6.770 1.00 0.00 H new ATOM 0 HA SER A 104 -5.645 -4.416 -8.749 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.851 -3.511 -9.606 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.758 -2.241 -8.402 1.00 0.00 H new ATOM 0 HG SER A 104 -6.890 -1.784 -10.605 1.00 0.00 H new ATOM 1633 N VAL A 105 -4.779 -1.975 -7.820 1.00 0.00 N ATOM 1634 CA VAL A 105 -3.819 -1.108 -7.164 1.00 0.00 C ATOM 1635 C VAL A 105 -4.503 -0.324 -6.063 1.00 0.00 C ATOM 1636 O VAL A 105 -3.997 -0.239 -4.943 1.00 0.00 O ATOM 1637 CB VAL A 105 -3.205 -0.130 -8.174 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -2.343 0.844 -7.412 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -2.421 -0.883 -9.236 1.00 0.00 C ATOM 0 H VAL A 105 -4.956 -1.718 -8.791 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.028 -1.726 -6.738 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.984 0.421 -8.701 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.893 1.553 -8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.955 1.384 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.557 0.301 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.993 -0.173 -9.944 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.620 -1.451 -8.763 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.087 -1.565 -9.764 1.00 0.00 H new ATOM 1649 N GLN A 106 -5.657 0.237 -6.415 1.00 0.00 N ATOM 1650 CA GLN A 106 -6.492 0.998 -5.505 1.00 0.00 C ATOM 1651 C GLN A 106 -6.956 0.128 -4.350 1.00 0.00 C ATOM 1652 O GLN A 106 -7.045 0.613 -3.224 1.00 0.00 O ATOM 1653 CB GLN A 106 -7.707 1.574 -6.229 1.00 0.00 C ATOM 1654 CG GLN A 106 -8.565 2.477 -5.358 1.00 0.00 C ATOM 1655 CD GLN A 106 -9.693 3.126 -6.139 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -10.005 2.705 -7.256 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -10.309 4.153 -5.563 1.00 0.00 N ATOM 0 H GLN A 106 -6.040 0.171 -7.358 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.892 1.820 -5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.368 2.138 -7.098 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.320 0.753 -6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.982 1.896 -4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -7.940 3.252 -4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.018 4.468 -4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.073 4.626 -6.046 1.00 0.00 H new ATOM 1666 N SER A 107 -7.260 -1.146 -4.631 1.00 0.00 N ATOM 1667 CA SER A 107 -7.710 -2.083 -3.606 1.00 0.00 C ATOM 1668 C SER A 107 -6.650 -2.189 -2.519 1.00 0.00 C ATOM 1669 O SER A 107 -6.977 -2.154 -1.330 1.00 0.00 O ATOM 1670 CB SER A 107 -7.928 -3.478 -4.177 1.00 0.00 C ATOM 1671 OG SER A 107 -8.937 -3.519 -5.149 1.00 0.00 O ATOM 0 H SER A 107 -7.200 -1.548 -5.566 1.00 0.00 H new ATOM 0 HA SER A 107 -8.653 -1.707 -3.209 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.996 -3.836 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.183 -4.161 -3.367 1.00 0.00 H new ATOM 0 HG SER A 107 -9.256 -4.440 -5.251 1.00 0.00 H new ATOM 1677 N VAL A 108 -5.390 -2.320 -2.948 1.00 0.00 N ATOM 1678 CA VAL A 108 -4.260 -2.404 -2.030 1.00 0.00 C ATOM 1679 C VAL A 108 -4.020 -1.144 -1.231 1.00 0.00 C ATOM 1680 O VAL A 108 -3.825 -1.222 -0.017 1.00 0.00 O ATOM 1681 CB VAL A 108 -2.965 -2.733 -2.780 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -1.806 -2.598 -1.813 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -3.035 -4.148 -3.333 1.00 0.00 C ATOM 0 H VAL A 108 -5.131 -2.370 -3.933 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.529 -3.200 -1.336 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.827 -2.047 -3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.874 -2.828 -2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.767 -1.578 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.942 -3.291 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.112 -4.377 -3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.165 -4.853 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.879 -4.229 -4.018 1.00 0.00 H new ATOM 1693 N CYS A 109 -4.031 0.000 -1.905 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.788 1.262 -1.228 1.00 0.00 C ATOM 1695 C CYS A 109 -4.871 1.568 -0.214 1.00 0.00 C ATOM 1696 O CYS A 109 -4.564 1.961 0.911 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.713 2.387 -2.244 1.00 0.00 C ATOM 1698 SG CYS A 109 -2.236 2.315 -3.272 1.00 0.00 S ATOM 0 H CYS A 109 -4.204 0.077 -2.907 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.840 1.177 -0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -4.595 2.350 -2.883 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -3.738 3.343 -1.721 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.637 1.175 -3.092 1.00 0.00 H new ATOM 1704 N LEU A 110 -6.122 1.378 -0.614 1.00 0.00 N ATOM 1705 CA LEU A 110 -7.256 1.599 0.261 1.00 0.00 C ATOM 1706 C LEU A 110 -7.196 0.645 1.443 1.00 0.00 C ATOM 1707 O LEU A 110 -7.543 1.052 2.552 1.00 0.00 O ATOM 1708 CB LEU A 110 -8.568 1.448 -0.501 1.00 0.00 C ATOM 1709 CG LEU A 110 -9.815 1.718 0.344 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -9.742 3.139 0.892 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -11.051 1.537 -0.524 1.00 0.00 C ATOM 0 H LEU A 110 -6.374 1.067 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.211 2.620 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.563 2.131 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.627 0.437 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.870 1.021 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.626 3.342 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.849 3.246 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.698 3.846 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -11.944 1.728 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -11.015 2.237 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -11.081 0.517 -0.907 1.00 0.00 H new ATOM 1723 N SER A 111 -6.827 -0.620 1.210 1.00 0.00 N ATOM 1724 CA SER A 111 -6.678 -1.586 2.292 1.00 0.00 C ATOM 1725 C SER A 111 -5.641 -1.129 3.316 1.00 0.00 C ATOM 1726 O SER A 111 -5.857 -1.332 4.508 1.00 0.00 O ATOM 1727 CB SER A 111 -6.287 -2.941 1.743 1.00 0.00 C ATOM 1728 OG SER A 111 -7.318 -3.471 0.956 1.00 0.00 O ATOM 0 H SER A 111 -6.628 -0.993 0.282 1.00 0.00 H new ATOM 0 HA SER A 111 -7.643 -1.663 2.794 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.378 -2.850 1.148 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.063 -3.621 2.565 1.00 0.00 H new ATOM 0 HG SER A 111 -7.445 -2.910 0.162 1.00 0.00 H new ATOM 1734 N ILE A 112 -4.523 -0.555 2.861 1.00 0.00 N ATOM 1735 CA ILE A 112 -3.501 -0.008 3.755 1.00 0.00 C ATOM 1736 C ILE A 112 -4.065 1.180 4.541 1.00 0.00 C ATOM 1737 O ILE A 112 -3.801 1.311 5.739 1.00 0.00 O ATOM 1738 CB ILE A 112 -2.228 0.365 2.971 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -1.588 -0.937 2.468 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -1.265 1.152 3.850 1.00 0.00 C ATOM 1741 CD1 ILE A 112 -0.487 -0.762 1.457 1.00 0.00 C ATOM 0 H ILE A 112 -4.303 -0.457 1.870 1.00 0.00 H new ATOM 0 HA ILE A 112 -3.215 -0.774 4.476 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.477 1.005 2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -1.190 -1.482 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.367 -1.560 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.373 1.405 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.749 2.067 4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.983 0.548 4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.102 -1.739 1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.878 -0.250 0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.317 -0.170 1.894 1.00 0.00 H new ATOM 1753 N ILE A 113 -4.819 2.051 3.867 1.00 0.00 N ATOM 1754 CA ILE A 113 -5.476 3.173 4.530 1.00 0.00 C ATOM 1755 C ILE A 113 -6.408 2.649 5.622 1.00 0.00 C ATOM 1756 O ILE A 113 -6.456 3.202 6.722 1.00 0.00 O ATOM 1757 CB ILE A 113 -6.288 4.035 3.535 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -5.350 4.767 2.573 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -7.153 5.025 4.299 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -6.039 5.406 1.385 1.00 0.00 C ATOM 0 H ILE A 113 -4.988 1.999 2.862 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.699 3.802 4.965 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.935 3.384 2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -4.815 5.540 3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.603 4.062 2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.723 5.630 3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.839 4.482 4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.518 5.673 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.298 5.902 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.550 4.638 0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.765 6.139 1.736 1.00 0.00 H new ATOM 1772 N SER A 114 -7.172 1.602 5.301 1.00 0.00 N ATOM 1773 CA SER A 114 -8.073 0.965 6.250 1.00 0.00 C ATOM 1774 C SER A 114 -7.318 0.333 7.415 1.00 0.00 C ATOM 1775 O SER A 114 -7.774 0.477 8.549 1.00 0.00 O ATOM 1776 CB SER A 114 -8.907 -0.095 5.555 1.00 0.00 C ATOM 1777 OG SER A 114 -9.773 0.477 4.614 1.00 0.00 O ATOM 0 H SER A 114 -7.180 1.176 4.374 1.00 0.00 H new ATOM 0 HA SER A 114 -8.723 1.743 6.649 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.251 -0.811 5.061 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.485 -0.650 6.295 1.00 0.00 H new ATOM 0 HG SER A 114 -9.264 0.740 3.819 1.00 0.00 H new ATOM 1783 N MET A 115 -6.188 -0.332 7.128 1.00 0.00 N ATOM 1784 CA MET A 115 -5.292 -0.975 8.091 1.00 0.00 C ATOM 1785 C MET A 115 -4.904 -0.027 9.220 1.00 0.00 C ATOM 1786 O MET A 115 -4.864 -0.410 10.391 1.00 0.00 O ATOM 1787 CB MET A 115 -4.038 -1.495 7.390 1.00 0.00 C ATOM 1788 CG MET A 115 -3.055 -2.191 8.311 1.00 0.00 C ATOM 1789 SD MET A 115 -1.525 -2.657 7.481 1.00 0.00 S ATOM 1790 CE MET A 115 -0.788 -1.042 7.236 1.00 0.00 C ATOM 0 H MET A 115 -5.861 -0.439 6.168 1.00 0.00 H new ATOM 0 HA MET A 115 -5.832 -1.815 8.529 1.00 0.00 H new ATOM 0 HB2 MET A 115 -4.336 -2.189 6.604 1.00 0.00 H new ATOM 0 HB3 MET A 115 -3.534 -0.660 6.904 1.00 0.00 H new ATOM 0 HG2 MET A 115 -2.822 -1.534 9.149 1.00 0.00 H new ATOM 0 HG3 MET A 115 -3.523 -3.083 8.726 1.00 0.00 H new ATOM 0 HE1 MET A 115 0.195 -1.156 6.779 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.425 -0.447 6.582 1.00 0.00 H new ATOM 0 HE3 MET A 115 -0.685 -0.539 8.198 1.00 0.00 H new ATOM 1800 N LEU A 116 -4.627 1.230 8.871 1.00 0.00 N ATOM 1801 CA LEU A 116 -4.292 2.246 9.867 1.00 0.00 C ATOM 1802 C LEU A 116 -5.391 2.443 10.928 1.00 0.00 C ATOM 1803 O LEU A 116 -5.098 2.903 12.031 1.00 0.00 O ATOM 1804 CB LEU A 116 -4.045 3.592 9.168 1.00 0.00 C ATOM 1805 CG LEU A 116 -2.806 3.674 8.266 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -2.809 5.011 7.536 1.00 0.00 C ATOM 1807 CD2 LEU A 116 -1.557 3.505 9.113 1.00 0.00 C ATOM 0 H LEU A 116 -4.628 1.567 7.908 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.397 1.893 10.379 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.922 3.831 8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.963 4.364 9.933 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.821 2.878 7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.931 5.076 6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -3.711 5.092 6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.787 5.823 8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.675 3.563 8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.516 4.296 9.862 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.583 2.535 9.610 1.00 0.00 H new ATOM 1819 N SER A 117 -6.648 2.112 10.618 1.00 0.00 N ATOM 1820 CA SER A 117 -7.736 2.237 11.576 1.00 0.00 C ATOM 1821 C SER A 117 -8.138 0.885 12.170 1.00 0.00 C ATOM 1822 O SER A 117 -8.598 0.827 13.311 1.00 0.00 O ATOM 1823 CB SER A 117 -8.958 2.831 10.907 1.00 0.00 C ATOM 1824 OG SER A 117 -9.471 1.955 9.938 1.00 0.00 O ATOM 0 H SER A 117 -6.932 1.755 9.706 1.00 0.00 H new ATOM 0 HA SER A 117 -7.375 2.885 12.375 1.00 0.00 H new ATOM 0 HB2 SER A 117 -9.722 3.040 11.655 1.00 0.00 H new ATOM 0 HB3 SER A 117 -8.698 3.782 10.443 1.00 0.00 H new ATOM 0 HG SER A 117 -8.778 1.760 9.274 1.00 0.00 H new ATOM 1830 N SER A 118 -7.980 -0.197 11.397 1.00 0.00 N ATOM 1831 CA SER A 118 -8.364 -1.529 11.871 1.00 0.00 C ATOM 1832 C SER A 118 -7.352 -2.198 12.798 1.00 0.00 C ATOM 1833 O SER A 118 -7.693 -3.180 13.463 1.00 0.00 O ATOM 1834 CB SER A 118 -8.608 -2.462 10.701 1.00 0.00 C ATOM 1835 OG SER A 118 -7.417 -2.778 10.039 1.00 0.00 O ATOM 0 H SER A 118 -7.594 -0.176 10.453 1.00 0.00 H new ATOM 0 HA SER A 118 -9.271 -1.358 12.450 1.00 0.00 H new ATOM 0 HB2 SER A 118 -9.081 -3.377 11.057 1.00 0.00 H new ATOM 0 HB3 SER A 118 -9.302 -1.996 10.001 1.00 0.00 H new ATOM 0 HG SER A 118 -7.609 -3.382 9.291 1.00 0.00 H new