USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 836 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 19 SER OG : rot -158:sc= 0.51 USER MOD Set 1.2: A 103 GLN :FLIP amide:sc= -1.81 F(o=-3.4,f=-1.3) USER MOD Set 2.1: A 51 THR OG1 : rot -117:sc= 0.0716 USER MOD Set 2.2: A 82 THR OG1 : rot 0:sc= -0.49 USER MOD Set 3.1: A 23 ASN :FLIP amide:sc= -6.6! C(o=-9.3!,f=-8.5!) USER MOD Set 3.2: A 28 THR OG1 : rot 139:sc= -1.88! USER MOD Set 4.1: A 5 ASN :FLIP amide:sc= -1.73! F(o=-4.2,f=-1.3!) USER MOD Set 4.2: A 78 SER OG : rot -40:sc= 0.402 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= -0.989 (180deg=-0.989) USER MOD Single : A 10 LYS NZ :NH3+ -145:sc= -3.24! (180deg=-6.99!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -143:sc= -0.46 (180deg=-1.79) USER MOD Single : A 21 SER OG : rot 179:sc= -1.36 USER MOD Single : A 27 CYS SG : rot -37:sc= -1.71 USER MOD Single : A 34 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= -1.2 K(o=-1.2,f=-3.5!) USER MOD Single : A 37 TYR OH : rot -102:sc= 1.14 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.13) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 52 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.741) USER MOD Single : A 54 ASN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.018) USER MOD Single : A 66 CYS SG : rot 180:sc= -0.16 USER MOD Single : A 67 TYR OH : rot 84:sc= 1.63 USER MOD Single : A 71 LYS NZ :NH3+ -152:sc= -0.0113 (180deg=-0.742!) USER MOD Single : A 74 ASN : amide:sc= 0.141 K(o=0.14,f=-1.6) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= -0.793 (180deg=-0.793) USER MOD Single : A 85 LYS NZ :NH3+ -152:sc= -0.218 (180deg=-0.881) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0395 USER MOD Single : A 93 SER OG : rot 110:sc= -1.08 USER MOD Single : A 102 ASN : amide:sc= -4.78 K(o=-4.8,f=-6.6!) USER MOD Single : A 104 TYR OH : rot -108:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.746 -9.977 -14.265 1.00 0.00 N ATOM 2 CA LEU A 1 -1.323 -9.023 -13.207 1.00 0.00 C ATOM 3 C LEU A 1 -0.862 -7.700 -13.809 1.00 0.00 C ATOM 4 O LEU A 1 0.202 -7.624 -14.424 1.00 0.00 O ATOM 5 CB LEU A 1 -0.188 -9.663 -12.400 1.00 0.00 C ATOM 6 CG LEU A 1 -0.588 -10.180 -11.018 1.00 0.00 C ATOM 7 CD1 LEU A 1 -1.434 -11.437 -11.142 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.648 -10.449 -10.173 1.00 0.00 C ATOM 0 H1 LEU A 1 -2.054 -10.868 -13.826 1.00 0.00 H new ATOM 0 H2 LEU A 1 -2.533 -9.567 -14.807 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.947 -10.164 -14.903 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.172 -8.808 -12.558 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.224 -10.492 -12.976 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.610 -8.930 -12.280 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.184 -9.414 -10.523 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -1.709 -11.790 -10.148 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -2.337 -11.213 -11.710 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -0.864 -12.210 -11.657 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.345 -10.816 -9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.269 -11.197 -10.665 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.216 -9.526 -10.055 1.00 0.00 H new ATOM 22 N GLU A 2 -1.668 -6.659 -13.628 1.00 0.00 N ATOM 23 CA GLU A 2 -1.338 -5.339 -14.153 1.00 0.00 C ATOM 24 C GLU A 2 -0.564 -4.525 -13.128 1.00 0.00 C ATOM 25 O GLU A 2 -0.675 -4.757 -11.924 1.00 0.00 O ATOM 26 CB GLU A 2 -2.609 -4.583 -14.547 1.00 0.00 C ATOM 27 CG GLU A 2 -2.461 -3.761 -15.816 1.00 0.00 C ATOM 28 CD GLU A 2 -2.810 -4.547 -17.064 1.00 0.00 C ATOM 29 OE1 GLU A 2 -1.991 -5.394 -17.482 1.00 0.00 O ATOM 30 OE2 GLU A 2 -3.901 -4.316 -17.625 1.00 0.00 O ATOM 0 H GLU A 2 -2.553 -6.704 -13.123 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.715 -5.480 -15.036 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.420 -5.299 -14.681 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.897 -3.923 -13.729 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.104 -2.883 -15.753 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.435 -3.400 -15.893 1.00 0.00 H new ATOM 37 N LYS A 3 0.210 -3.563 -13.611 1.00 0.00 N ATOM 38 CA LYS A 3 0.989 -2.706 -12.730 1.00 0.00 C ATOM 39 C LYS A 3 1.069 -1.288 -13.284 1.00 0.00 C ATOM 40 O LYS A 3 1.418 -1.083 -14.446 1.00 0.00 O ATOM 41 CB LYS A 3 2.400 -3.265 -12.537 1.00 0.00 C ATOM 42 CG LYS A 3 2.439 -4.757 -12.255 1.00 0.00 C ATOM 43 CD LYS A 3 3.871 -5.260 -12.149 1.00 0.00 C ATOM 44 CE LYS A 3 3.974 -6.470 -11.233 1.00 0.00 C ATOM 45 NZ LYS A 3 4.196 -7.727 -11.998 1.00 0.00 N ATOM 0 H LYS A 3 0.315 -3.357 -14.605 1.00 0.00 H new ATOM 0 HA LYS A 3 0.485 -2.678 -11.764 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.987 -3.059 -13.432 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.880 -2.737 -11.713 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.907 -4.968 -11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.920 -5.294 -13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.240 -5.522 -13.141 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.510 -4.462 -11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.793 -6.324 -10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.061 -6.559 -10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.261 -8.528 -11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.402 -7.880 -12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.081 -7.652 -12.539 1.00 0.00 H new ATOM 59 N PHE A 4 0.755 -0.317 -12.438 1.00 0.00 N ATOM 60 CA PHE A 4 0.801 1.085 -12.829 1.00 0.00 C ATOM 61 C PHE A 4 1.437 1.911 -11.717 1.00 0.00 C ATOM 62 O PHE A 4 1.685 1.399 -10.627 1.00 0.00 O ATOM 63 CB PHE A 4 -0.603 1.603 -13.154 1.00 0.00 C ATOM 64 CG PHE A 4 -1.482 1.790 -11.949 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.102 0.707 -11.349 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.686 3.051 -11.417 1.00 0.00 C ATOM 67 CE1 PHE A 4 -2.911 0.879 -10.243 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.490 3.228 -10.314 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.104 2.141 -9.724 1.00 0.00 C ATOM 0 H PHE A 4 0.465 -0.475 -11.473 1.00 0.00 H new ATOM 0 HA PHE A 4 1.409 1.180 -13.729 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.515 2.555 -13.678 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.086 0.906 -13.838 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.951 -0.284 -11.751 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.209 3.906 -11.873 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.391 0.026 -9.786 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.641 4.218 -9.910 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.734 2.279 -8.858 1.00 0.00 H new ATOM 79 N ASN A 5 1.709 3.181 -11.992 1.00 0.00 N ATOM 80 CA ASN A 5 2.330 4.051 -11.001 1.00 0.00 C ATOM 81 C ASN A 5 1.342 5.086 -10.472 1.00 0.00 C ATOM 82 O ASN A 5 0.596 5.700 -11.235 1.00 0.00 O ATOM 83 CB ASN A 5 3.551 4.751 -11.601 1.00 0.00 C ATOM 84 CG ASN A 5 4.827 4.447 -10.838 1.00 0.00 C ATOM 85 OD1 ASN A 5 4.761 4.541 -9.515 1.00 0.00 O flip ATOM 86 ND2 ASN A 5 5.857 4.131 -11.431 1.00 0.00 N flip ATOM 0 H ASN A 5 1.511 3.629 -12.887 1.00 0.00 H new ATOM 0 HA ASN A 5 2.648 3.429 -10.164 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.670 4.442 -12.639 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.382 5.828 -11.607 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.861 4.071 -12.449 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.707 3.929 -10.905 1.00 0.00 H new ATOM 93 N VAL A 6 1.354 5.276 -9.157 1.00 0.00 N ATOM 94 CA VAL A 6 0.472 6.239 -8.509 1.00 0.00 C ATOM 95 C VAL A 6 1.281 7.345 -7.851 1.00 0.00 C ATOM 96 O VAL A 6 1.918 7.127 -6.821 1.00 0.00 O ATOM 97 CB VAL A 6 -0.402 5.566 -7.435 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.482 6.514 -6.944 1.00 0.00 C ATOM 99 CG2 VAL A 6 -1.002 4.277 -7.965 1.00 0.00 C ATOM 0 H VAL A 6 1.968 4.773 -8.517 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.171 6.657 -9.284 1.00 0.00 H new ATOM 0 HB VAL A 6 0.232 5.317 -6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.086 6.016 -6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.019 7.402 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.117 6.806 -7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.616 3.816 -7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.619 4.494 -8.837 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.202 3.593 -8.248 1.00 0.00 H new ATOM 109 N ASP A 7 1.253 8.531 -8.440 1.00 0.00 N ATOM 110 CA ASP A 7 1.992 9.656 -7.890 1.00 0.00 C ATOM 111 C ASP A 7 1.046 10.708 -7.326 1.00 0.00 C ATOM 112 O ASP A 7 0.142 11.175 -8.018 1.00 0.00 O ATOM 113 CB ASP A 7 2.878 10.282 -8.968 1.00 0.00 C ATOM 114 CG ASP A 7 4.086 10.990 -8.386 1.00 0.00 C ATOM 115 OD1 ASP A 7 4.055 11.326 -7.183 1.00 0.00 O ATOM 116 OD2 ASP A 7 5.065 11.207 -9.133 1.00 0.00 O ATOM 0 H ASP A 7 0.731 8.738 -9.292 1.00 0.00 H new ATOM 0 HA ASP A 7 2.618 9.285 -7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.212 9.505 -9.656 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.290 10.992 -9.550 1.00 0.00 H new ATOM 121 N LEU A 8 1.268 11.093 -6.072 1.00 0.00 N ATOM 122 CA LEU A 8 0.438 12.110 -5.439 1.00 0.00 C ATOM 123 C LEU A 8 1.244 12.893 -4.416 1.00 0.00 C ATOM 124 O LEU A 8 2.266 12.423 -3.926 1.00 0.00 O ATOM 125 CB LEU A 8 -0.829 11.506 -4.800 1.00 0.00 C ATOM 126 CG LEU A 8 -0.643 10.314 -3.843 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.202 9.219 -4.474 1.00 0.00 C ATOM 128 CD2 LEU A 8 -0.052 10.762 -2.513 1.00 0.00 C ATOM 0 H LEU A 8 2.009 10.719 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 8 0.106 12.795 -6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.341 12.299 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.494 11.191 -5.604 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.631 9.896 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.313 8.394 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.285 8.860 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.186 9.617 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.067 9.898 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.920 11.225 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.720 11.484 -2.043 1.00 0.00 H new ATOM 140 N MET A 9 0.791 14.098 -4.104 1.00 0.00 N ATOM 141 CA MET A 9 1.491 14.938 -3.146 1.00 0.00 C ATOM 142 C MET A 9 1.340 14.397 -1.733 1.00 0.00 C ATOM 143 O MET A 9 0.258 14.442 -1.150 1.00 0.00 O ATOM 144 CB MET A 9 0.972 16.371 -3.225 1.00 0.00 C ATOM 145 CG MET A 9 1.781 17.251 -4.167 1.00 0.00 C ATOM 146 SD MET A 9 2.712 18.530 -3.302 1.00 0.00 S ATOM 147 CE MET A 9 4.353 17.812 -3.309 1.00 0.00 C ATOM 0 H MET A 9 -0.053 14.514 -4.498 1.00 0.00 H new ATOM 0 HA MET A 9 2.552 14.932 -3.398 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.067 16.357 -3.554 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.984 16.810 -2.228 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.471 16.628 -4.736 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.109 17.720 -4.885 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.047 18.486 -2.808 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.334 16.856 -2.786 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.678 17.656 -4.338 1.00 0.00 H new ATOM 157 N LYS A 10 2.439 13.887 -1.189 1.00 0.00 N ATOM 158 CA LYS A 10 2.434 13.335 0.157 1.00 0.00 C ATOM 159 C LYS A 10 2.873 14.374 1.176 1.00 0.00 C ATOM 160 O LYS A 10 3.748 15.198 0.908 1.00 0.00 O ATOM 161 CB LYS A 10 3.352 12.114 0.242 1.00 0.00 C ATOM 162 CG LYS A 10 2.627 10.848 0.669 1.00 0.00 C ATOM 163 CD LYS A 10 2.427 10.821 2.179 1.00 0.00 C ATOM 164 CE LYS A 10 2.759 9.465 2.781 1.00 0.00 C ATOM 165 NZ LYS A 10 3.698 9.577 3.930 1.00 0.00 N ATOM 0 H LYS A 10 3.343 13.845 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 10 1.412 13.032 0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.817 11.949 -0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.156 12.320 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.660 10.791 0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.199 9.974 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.054 11.584 2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.393 11.076 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.840 8.980 3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.199 8.827 2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.337 8.756 3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.257 10.449 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.158 9.604 4.818 1.00 0.00 H new ATOM 179 N LYS A 11 2.267 14.316 2.350 1.00 0.00 N ATOM 180 CA LYS A 11 2.599 15.241 3.428 1.00 0.00 C ATOM 181 C LYS A 11 2.861 14.479 4.721 1.00 0.00 C ATOM 182 O LYS A 11 2.078 14.548 5.668 1.00 0.00 O ATOM 183 CB LYS A 11 1.474 16.255 3.632 1.00 0.00 C ATOM 184 CG LYS A 11 0.953 16.856 2.336 1.00 0.00 C ATOM 185 CD LYS A 11 2.024 17.671 1.630 1.00 0.00 C ATOM 186 CE LYS A 11 1.694 17.873 0.160 1.00 0.00 C ATOM 187 NZ LYS A 11 1.124 19.225 -0.100 1.00 0.00 N ATOM 0 H LYS A 11 1.541 13.638 2.584 1.00 0.00 H new ATOM 0 HA LYS A 11 3.505 15.780 3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.650 15.770 4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.832 17.058 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.607 16.059 1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.092 17.490 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.125 18.641 2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.986 17.166 1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.596 17.738 -0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.983 17.111 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.912 19.323 -1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.249 19.345 0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.812 19.952 0.182 1.00 0.00 H new ATOM 201 N ALA A 12 3.970 13.746 4.746 1.00 0.00 N ATOM 202 CA ALA A 12 4.345 12.962 5.916 1.00 0.00 C ATOM 203 C ALA A 12 3.248 11.966 6.291 1.00 0.00 C ATOM 204 O ALA A 12 3.186 11.498 7.426 1.00 0.00 O ATOM 205 CB ALA A 12 4.649 13.880 7.091 1.00 0.00 C ATOM 0 H ALA A 12 4.625 13.679 3.967 1.00 0.00 H new ATOM 0 HA ALA A 12 5.242 12.395 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.928 13.281 7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.472 14.545 6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.765 14.472 7.328 1.00 0.00 H new ATOM 211 N GLY A 13 2.383 11.649 5.329 1.00 0.00 N ATOM 212 CA GLY A 13 1.302 10.711 5.583 1.00 0.00 C ATOM 213 C GLY A 13 0.035 11.400 6.048 1.00 0.00 C ATOM 214 O GLY A 13 0.004 11.993 7.126 1.00 0.00 O ATOM 0 H GLY A 13 2.412 12.024 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.093 10.147 4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.619 9.992 6.338 1.00 0.00 H new ATOM 218 N LYS A 14 -1.014 11.328 5.233 1.00 0.00 N ATOM 219 CA LYS A 14 -2.285 11.956 5.575 1.00 0.00 C ATOM 220 C LYS A 14 -3.424 11.430 4.696 1.00 0.00 C ATOM 221 O LYS A 14 -4.038 10.406 5.002 1.00 0.00 O ATOM 222 CB LYS A 14 -2.176 13.478 5.437 1.00 0.00 C ATOM 223 CG LYS A 14 -1.280 13.931 4.296 1.00 0.00 C ATOM 224 CD LYS A 14 -1.715 15.282 3.749 1.00 0.00 C ATOM 225 CE LYS A 14 -1.658 16.361 4.819 1.00 0.00 C ATOM 226 NZ LYS A 14 -2.927 16.441 5.595 1.00 0.00 N ATOM 0 H LYS A 14 -1.009 10.843 4.336 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.514 11.703 6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.173 13.892 5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.795 13.891 6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.249 13.993 4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.303 13.189 3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.072 15.562 2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.730 15.208 3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.830 16.156 5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.457 17.325 4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.134 17.435 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.705 16.044 5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.829 15.899 6.477 1.00 0.00 H new ATOM 240 N GLU A 15 -3.701 12.147 3.612 1.00 0.00 N ATOM 241 CA GLU A 15 -4.755 11.796 2.676 1.00 0.00 C ATOM 242 C GLU A 15 -4.430 10.531 1.882 1.00 0.00 C ATOM 243 O GLU A 15 -5.254 10.069 1.094 1.00 0.00 O ATOM 244 CB GLU A 15 -5.033 12.969 1.739 1.00 0.00 C ATOM 245 CG GLU A 15 -6.038 13.962 2.299 1.00 0.00 C ATOM 246 CD GLU A 15 -6.010 15.293 1.573 1.00 0.00 C ATOM 247 OE1 GLU A 15 -4.919 15.700 1.122 1.00 0.00 O ATOM 248 OE2 GLU A 15 -7.079 15.927 1.456 1.00 0.00 O ATOM 0 H GLU A 15 -3.194 12.995 3.359 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.652 11.580 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.097 13.488 1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.403 12.585 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.039 13.537 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.831 14.125 3.357 1.00 0.00 H new ATOM 255 N LEU A 16 -3.227 9.973 2.063 1.00 0.00 N ATOM 256 CA LEU A 16 -2.840 8.767 1.322 1.00 0.00 C ATOM 257 C LEU A 16 -3.993 7.765 1.334 1.00 0.00 C ATOM 258 O LEU A 16 -4.210 7.033 0.369 1.00 0.00 O ATOM 259 CB LEU A 16 -1.596 8.124 1.955 1.00 0.00 C ATOM 260 CG LEU A 16 -0.300 8.202 1.137 1.00 0.00 C ATOM 261 CD1 LEU A 16 0.772 7.332 1.773 1.00 0.00 C ATOM 262 CD2 LEU A 16 -0.527 7.771 -0.305 1.00 0.00 C ATOM 0 H LEU A 16 -2.517 10.329 2.703 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.608 9.048 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.420 8.597 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.815 7.074 2.150 1.00 0.00 H new ATOM 0 HG LEU A 16 0.031 9.241 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.688 7.394 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.968 7.679 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.430 6.297 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.411 7.838 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.887 6.742 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.268 8.424 -0.768 1.00 0.00 H new ATOM 274 N GLY A 17 -4.752 7.785 2.426 1.00 0.00 N ATOM 275 CA GLY A 17 -5.916 6.929 2.575 1.00 0.00 C ATOM 276 C GLY A 17 -5.833 5.597 1.853 1.00 0.00 C ATOM 277 O GLY A 17 -6.681 5.291 1.015 1.00 0.00 O ATOM 0 H GLY A 17 -4.576 8.393 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.075 6.740 3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.792 7.467 2.213 1.00 0.00 H new ATOM 281 N LEU A 18 -4.840 4.793 2.195 1.00 0.00 N ATOM 282 CA LEU A 18 -4.689 3.477 1.592 1.00 0.00 C ATOM 283 C LEU A 18 -4.074 2.508 2.592 1.00 0.00 C ATOM 284 O LEU A 18 -2.855 2.398 2.700 1.00 0.00 O ATOM 285 CB LEU A 18 -3.838 3.550 0.322 1.00 0.00 C ATOM 286 CG LEU A 18 -2.514 4.305 0.458 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.357 3.330 0.617 1.00 0.00 C ATOM 288 CD2 LEU A 18 -2.291 5.205 -0.749 1.00 0.00 C ATOM 0 H LEU A 18 -4.127 5.027 2.886 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.678 3.113 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.624 2.534 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.428 4.024 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.562 4.929 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.424 3.885 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.512 2.724 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.305 2.681 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.345 5.735 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.263 4.599 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.105 5.926 -0.820 1.00 0.00 H new ATOM 300 N SER A 19 -4.934 1.811 3.328 1.00 0.00 N ATOM 301 CA SER A 19 -4.479 0.855 4.328 1.00 0.00 C ATOM 302 C SER A 19 -3.761 -0.312 3.664 1.00 0.00 C ATOM 303 O SER A 19 -4.354 -1.050 2.877 1.00 0.00 O ATOM 304 CB SER A 19 -5.660 0.348 5.157 1.00 0.00 C ATOM 305 OG SER A 19 -5.371 -0.905 5.752 1.00 0.00 O ATOM 0 H SER A 19 -5.948 1.891 3.250 1.00 0.00 H new ATOM 0 HA SER A 19 -3.778 1.360 4.992 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.901 1.075 5.933 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.541 0.257 4.521 1.00 0.00 H new ATOM 0 HG SER A 19 -6.209 -1.368 5.963 1.00 0.00 H new ATOM 311 N LEU A 20 -2.479 -0.464 3.980 1.00 0.00 N ATOM 312 CA LEU A 20 -1.669 -1.536 3.409 1.00 0.00 C ATOM 313 C LEU A 20 -1.762 -2.811 4.237 1.00 0.00 C ATOM 314 O LEU A 20 -2.292 -2.812 5.348 1.00 0.00 O ATOM 315 CB LEU A 20 -0.203 -1.102 3.311 1.00 0.00 C ATOM 316 CG LEU A 20 0.072 0.148 2.468 1.00 0.00 C ATOM 317 CD1 LEU A 20 -0.914 0.259 1.316 1.00 0.00 C ATOM 318 CD2 LEU A 20 0.022 1.393 3.339 1.00 0.00 C ATOM 0 H LEU A 20 -1.977 0.142 4.629 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.059 -1.743 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.171 -0.926 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.373 -1.929 2.897 1.00 0.00 H new ATOM 0 HG LEU A 20 1.072 0.059 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.695 1.155 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.826 -0.619 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.928 0.321 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.219 2.273 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.965 1.480 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.776 1.319 4.122 1.00 0.00 H new ATOM 330 N SER A 21 -1.220 -3.893 3.687 1.00 0.00 N ATOM 331 CA SER A 21 -1.213 -5.185 4.361 1.00 0.00 C ATOM 332 C SER A 21 0.099 -5.918 4.079 1.00 0.00 C ATOM 333 O SER A 21 0.792 -5.609 3.110 1.00 0.00 O ATOM 334 CB SER A 21 -2.410 -6.032 3.915 1.00 0.00 C ATOM 335 OG SER A 21 -2.021 -7.039 2.998 1.00 0.00 O ATOM 0 H SER A 21 -0.777 -3.899 2.768 1.00 0.00 H new ATOM 0 HA SER A 21 -1.296 -5.019 5.435 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.876 -6.492 4.786 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.160 -5.389 3.454 1.00 0.00 H new ATOM 0 HG SER A 21 -2.804 -7.572 2.746 1.00 0.00 H new ATOM 341 N PRO A 22 0.462 -6.895 4.925 1.00 0.00 N ATOM 342 CA PRO A 22 1.702 -7.659 4.758 1.00 0.00 C ATOM 343 C PRO A 22 1.672 -8.572 3.535 1.00 0.00 C ATOM 344 O PRO A 22 0.935 -9.556 3.498 1.00 0.00 O ATOM 345 CB PRO A 22 1.788 -8.491 6.041 1.00 0.00 C ATOM 346 CG PRO A 22 0.382 -8.599 6.524 1.00 0.00 C ATOM 347 CD PRO A 22 -0.301 -7.324 6.112 1.00 0.00 C ATOM 0 HA PRO A 22 2.558 -7.003 4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.215 -9.475 5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.424 -8.008 6.783 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.114 -9.465 6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.351 -8.726 7.606 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.352 -7.490 5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.266 -6.576 6.904 1.00 0.00 H new ATOM 355 N ASN A 23 2.489 -8.239 2.536 1.00 0.00 N ATOM 356 CA ASN A 23 2.566 -9.031 1.312 1.00 0.00 C ATOM 357 C ASN A 23 4.001 -9.477 1.047 1.00 0.00 C ATOM 358 O ASN A 23 4.947 -8.927 1.612 1.00 0.00 O ATOM 359 CB ASN A 23 2.032 -8.236 0.117 1.00 0.00 C ATOM 360 CG ASN A 23 0.969 -8.997 -0.649 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.024 -9.585 0.075 1.00 0.00 O flip ATOM 362 ND2 ASN A 23 0.995 -9.056 -1.880 1.00 0.00 N flip ATOM 0 H ASN A 23 3.106 -7.427 2.552 1.00 0.00 H new ATOM 0 HA ASN A 23 1.945 -9.917 1.445 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.618 -7.291 0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.857 -7.993 -0.553 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.740 -8.589 -2.397 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.272 -9.572 -2.381 1.00 0.00 H new ATOM 369 N GLU A 24 4.155 -10.481 0.190 1.00 0.00 N ATOM 370 CA GLU A 24 5.474 -11.009 -0.146 1.00 0.00 C ATOM 371 C GLU A 24 6.143 -10.179 -1.238 1.00 0.00 C ATOM 372 O GLU A 24 7.370 -10.096 -1.305 1.00 0.00 O ATOM 373 CB GLU A 24 5.358 -12.464 -0.602 1.00 0.00 C ATOM 374 CG GLU A 24 4.560 -12.638 -1.883 1.00 0.00 C ATOM 375 CD GLU A 24 3.987 -14.034 -2.029 1.00 0.00 C ATOM 376 OE1 GLU A 24 4.750 -14.954 -2.394 1.00 0.00 O ATOM 377 OE2 GLU A 24 2.777 -14.209 -1.777 1.00 0.00 O ATOM 0 H GLU A 24 3.382 -10.946 -0.286 1.00 0.00 H new ATOM 0 HA GLU A 24 6.093 -10.956 0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.358 -12.871 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.890 -13.048 0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.747 -11.912 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.201 -12.421 -2.738 1.00 0.00 H new ATOM 384 N ILE A 25 5.332 -9.572 -2.097 1.00 0.00 N ATOM 385 CA ILE A 25 5.846 -8.756 -3.192 1.00 0.00 C ATOM 386 C ILE A 25 5.737 -7.265 -2.886 1.00 0.00 C ATOM 387 O ILE A 25 6.265 -6.432 -3.624 1.00 0.00 O ATOM 388 CB ILE A 25 5.100 -9.056 -4.506 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.604 -8.743 -4.351 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.324 -10.506 -4.908 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.713 -9.471 -5.334 1.00 0.00 C ATOM 0 H ILE A 25 4.314 -9.629 -2.057 1.00 0.00 H new ATOM 0 HA ILE A 25 6.899 -9.015 -3.306 1.00 0.00 H new ATOM 0 HB ILE A 25 5.493 -8.419 -5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.294 -8.999 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.455 -7.670 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.794 -10.712 -5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.390 -10.683 -5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.949 -11.163 -4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.674 -9.194 -5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.993 -9.197 -6.351 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.830 -10.547 -5.203 1.00 0.00 H new ATOM 403 N GLY A 26 5.053 -6.930 -1.798 1.00 0.00 N ATOM 404 CA GLY A 26 4.893 -5.540 -1.421 1.00 0.00 C ATOM 405 C GLY A 26 3.916 -5.368 -0.280 1.00 0.00 C ATOM 406 O GLY A 26 4.083 -5.965 0.784 1.00 0.00 O ATOM 0 H GLY A 26 4.606 -7.598 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.861 -5.129 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.547 -4.969 -2.283 1.00 0.00 H new ATOM 410 N CYS A 27 2.889 -4.556 -0.499 1.00 0.00 N ATOM 411 CA CYS A 27 1.882 -4.319 0.525 1.00 0.00 C ATOM 412 C CYS A 27 0.487 -4.249 -0.085 1.00 0.00 C ATOM 413 O CYS A 27 0.124 -3.260 -0.720 1.00 0.00 O ATOM 414 CB CYS A 27 2.187 -3.023 1.282 1.00 0.00 C ATOM 415 SG CYS A 27 2.669 -3.270 3.007 1.00 0.00 S ATOM 0 H CYS A 27 2.733 -4.053 -1.373 1.00 0.00 H new ATOM 0 HA CYS A 27 1.910 -5.155 1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.987 -2.493 0.765 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.307 -2.381 1.251 1.00 0.00 H new ATOM 0 HG CYS A 27 1.980 -4.249 3.514 1.00 0.00 H new ATOM 421 N THR A 28 -0.295 -5.303 0.121 1.00 0.00 N ATOM 422 CA THR A 28 -1.656 -5.356 -0.397 1.00 0.00 C ATOM 423 C THR A 28 -2.535 -4.349 0.332 1.00 0.00 C ATOM 424 O THR A 28 -2.571 -4.320 1.561 1.00 0.00 O ATOM 425 CB THR A 28 -2.236 -6.762 -0.237 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.451 -7.712 -0.933 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.660 -6.884 -0.738 1.00 0.00 C ATOM 0 H THR A 28 -0.009 -6.132 0.643 1.00 0.00 H new ATOM 0 HA THR A 28 -1.630 -5.106 -1.458 1.00 0.00 H new ATOM 0 HB THR A 28 -2.229 -6.956 0.836 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.354 -8.520 -0.387 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.010 -7.906 -0.595 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.301 -6.200 -0.182 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.695 -6.634 -1.798 1.00 0.00 H new ATOM 435 N ILE A 29 -3.247 -3.526 -0.429 1.00 0.00 N ATOM 436 CA ILE A 29 -4.124 -2.527 0.161 1.00 0.00 C ATOM 437 C ILE A 29 -5.333 -3.190 0.811 1.00 0.00 C ATOM 438 O ILE A 29 -6.251 -3.638 0.126 1.00 0.00 O ATOM 439 CB ILE A 29 -4.606 -1.507 -0.887 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.418 -0.937 -1.664 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.395 -0.391 -0.217 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.817 -0.177 -2.909 1.00 0.00 C ATOM 0 H ILE A 29 -3.234 -3.532 -1.449 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.546 -1.999 0.919 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.263 -2.017 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.851 -0.274 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.753 -1.754 -1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.729 0.322 -0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.261 -0.813 0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.761 0.118 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.924 0.198 -3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.358 -0.841 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.458 0.661 -2.634 1.00 0.00 H new ATOM 454 N ALA A 30 -5.321 -3.249 2.138 1.00 0.00 N ATOM 455 CA ALA A 30 -6.414 -3.855 2.883 1.00 0.00 C ATOM 456 C ALA A 30 -7.670 -2.999 2.800 1.00 0.00 C ATOM 457 O ALA A 30 -8.786 -3.516 2.839 1.00 0.00 O ATOM 458 CB ALA A 30 -6.010 -4.066 4.334 1.00 0.00 C ATOM 0 H ALA A 30 -4.566 -2.884 2.718 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.635 -4.824 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.837 -4.520 4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.142 -4.724 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.761 -3.106 4.786 1.00 0.00 H new ATOM 464 N ASP A 31 -7.483 -1.689 2.683 1.00 0.00 N ATOM 465 CA ASP A 31 -8.609 -0.767 2.593 1.00 0.00 C ATOM 466 C ASP A 31 -8.196 0.548 1.952 1.00 0.00 C ATOM 467 O ASP A 31 -7.016 0.782 1.690 1.00 0.00 O ATOM 468 CB ASP A 31 -9.190 -0.495 3.980 1.00 0.00 C ATOM 469 CG ASP A 31 -10.283 -1.477 4.354 1.00 0.00 C ATOM 470 OD1 ASP A 31 -9.953 -2.592 4.808 1.00 0.00 O ATOM 471 OD2 ASP A 31 -11.473 -1.129 4.193 1.00 0.00 O ATOM 0 H ASP A 31 -6.566 -1.243 2.648 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.368 -1.237 1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.392 -0.545 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.590 0.518 4.010 1.00 0.00 H new ATOM 476 N LEU A 32 -9.178 1.406 1.705 1.00 0.00 N ATOM 477 CA LEU A 32 -8.929 2.694 1.098 1.00 0.00 C ATOM 478 C LEU A 32 -10.025 3.693 1.445 1.00 0.00 C ATOM 479 O LEU A 32 -11.210 3.434 1.234 1.00 0.00 O ATOM 480 CB LEU A 32 -8.814 2.542 -0.416 1.00 0.00 C ATOM 481 CG LEU A 32 -7.529 3.106 -1.000 1.00 0.00 C ATOM 482 CD1 LEU A 32 -6.762 2.034 -1.758 1.00 0.00 C ATOM 483 CD2 LEU A 32 -7.819 4.299 -1.898 1.00 0.00 C ATOM 0 H LEU A 32 -10.159 1.225 1.920 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.989 3.079 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.883 1.484 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.663 3.039 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.906 3.448 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.846 2.462 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.510 1.219 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.379 1.652 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.884 4.685 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.469 3.989 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.312 5.079 -1.318 1.00 0.00 H new ATOM 495 N ILE A 33 -9.617 4.846 1.964 1.00 0.00 N ATOM 496 CA ILE A 33 -10.559 5.895 2.321 1.00 0.00 C ATOM 497 C ILE A 33 -10.651 6.916 1.196 1.00 0.00 C ATOM 498 O ILE A 33 -9.785 7.779 1.048 1.00 0.00 O ATOM 499 CB ILE A 33 -10.159 6.605 3.636 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.702 7.068 3.589 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.386 5.696 4.822 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.193 7.603 4.909 1.00 0.00 C ATOM 0 H ILE A 33 -8.640 5.076 2.146 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.531 5.426 2.476 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.791 7.486 3.748 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.074 6.233 3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.600 7.843 2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.099 6.213 5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.440 5.423 4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.783 4.795 4.710 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.153 7.912 4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.796 8.459 5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.262 6.824 5.668 1.00 0.00 H new ATOM 514 N GLN A 34 -11.700 6.801 0.394 1.00 0.00 N ATOM 515 CA GLN A 34 -11.903 7.700 -0.733 1.00 0.00 C ATOM 516 C GLN A 34 -12.241 9.108 -0.257 1.00 0.00 C ATOM 517 O GLN A 34 -12.731 9.297 0.857 1.00 0.00 O ATOM 518 CB GLN A 34 -13.002 7.159 -1.646 1.00 0.00 C ATOM 519 CG GLN A 34 -12.665 5.802 -2.244 1.00 0.00 C ATOM 520 CD GLN A 34 -13.703 5.332 -3.244 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.749 5.958 -3.412 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.419 4.220 -3.914 1.00 0.00 N ATOM 0 H GLN A 34 -12.425 6.092 0.503 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.974 7.756 -1.300 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.930 7.080 -1.080 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.180 7.871 -2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.693 5.856 -2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.578 5.068 -1.443 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.540 3.732 -3.743 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.080 3.854 -4.599 1.00 0.00 H new ATOM 531 N GLY A 35 -11.957 10.093 -1.100 1.00 0.00 N ATOM 532 CA GLY A 35 -12.216 11.474 -0.741 1.00 0.00 C ATOM 533 C GLY A 35 -11.000 12.133 -0.116 1.00 0.00 C ATOM 534 O GLY A 35 -10.939 13.358 0.003 1.00 0.00 O ATOM 0 H GLY A 35 -11.552 9.960 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.514 12.030 -1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.052 11.517 -0.043 1.00 0.00 H new ATOM 538 N GLN A 36 -10.029 11.314 0.282 1.00 0.00 N ATOM 539 CA GLN A 36 -8.804 11.803 0.897 1.00 0.00 C ATOM 540 C GLN A 36 -7.865 12.383 -0.157 1.00 0.00 C ATOM 541 O GLN A 36 -7.341 13.484 0.006 1.00 0.00 O ATOM 542 CB GLN A 36 -8.124 10.669 1.669 1.00 0.00 C ATOM 543 CG GLN A 36 -8.547 10.585 3.127 1.00 0.00 C ATOM 544 CD GLN A 36 -10.053 10.545 3.297 1.00 0.00 C ATOM 545 OE1 GLN A 36 -10.703 9.554 2.963 1.00 0.00 O ATOM 546 NE2 GLN A 36 -10.618 11.628 3.820 1.00 0.00 N ATOM 0 H GLN A 36 -10.071 10.299 0.187 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.054 12.602 1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.349 9.722 1.179 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.044 10.805 1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.111 9.693 3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.147 11.443 3.667 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.042 12.427 4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.628 11.660 3.958 1.00 0.00 H new ATOM 555 N TYR A 37 -7.667 11.648 -1.241 1.00 0.00 N ATOM 556 CA TYR A 37 -6.800 12.108 -2.319 1.00 0.00 C ATOM 557 C TYR A 37 -7.421 11.797 -3.680 1.00 0.00 C ATOM 558 O TYR A 37 -7.997 10.726 -3.880 1.00 0.00 O ATOM 559 CB TYR A 37 -5.420 11.459 -2.209 1.00 0.00 C ATOM 560 CG TYR A 37 -4.400 12.279 -1.440 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.361 13.666 -1.537 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.457 11.657 -0.631 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.412 14.402 -0.856 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.508 12.386 0.056 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.488 13.758 -0.061 1.00 0.00 C ATOM 566 OH TYR A 37 -1.540 14.490 0.619 1.00 0.00 O ATOM 0 H TYR A 37 -8.092 10.734 -1.399 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.687 13.188 -2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.526 10.488 -1.725 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.038 11.275 -3.213 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.085 14.176 -2.155 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.467 10.581 -0.538 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.394 15.478 -0.946 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.785 11.884 0.682 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.682 14.432 0.148 1.00 0.00 H new ATOM 576 N PRO A 38 -7.323 12.740 -4.633 1.00 0.00 N ATOM 577 CA PRO A 38 -7.888 12.570 -5.976 1.00 0.00 C ATOM 578 C PRO A 38 -7.169 11.501 -6.795 1.00 0.00 C ATOM 579 O PRO A 38 -7.803 10.608 -7.357 1.00 0.00 O ATOM 580 CB PRO A 38 -7.705 13.946 -6.619 1.00 0.00 C ATOM 581 CG PRO A 38 -6.578 14.573 -5.878 1.00 0.00 C ATOM 582 CD PRO A 38 -6.662 14.049 -4.473 1.00 0.00 C ATOM 0 HA PRO A 38 -8.924 12.235 -5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.478 13.858 -7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.613 14.544 -6.536 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.621 14.317 -6.333 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.657 15.660 -5.894 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.675 13.948 -4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.239 14.714 -3.830 1.00 0.00 H new ATOM 590 N GLU A 39 -5.845 11.597 -6.866 1.00 0.00 N ATOM 591 CA GLU A 39 -5.050 10.637 -7.627 1.00 0.00 C ATOM 592 C GLU A 39 -5.268 9.218 -7.115 1.00 0.00 C ATOM 593 O GLU A 39 -5.513 8.299 -7.894 1.00 0.00 O ATOM 594 CB GLU A 39 -3.563 10.991 -7.549 1.00 0.00 C ATOM 595 CG GLU A 39 -3.147 12.090 -8.512 1.00 0.00 C ATOM 596 CD GLU A 39 -2.703 11.549 -9.857 1.00 0.00 C ATOM 597 OE1 GLU A 39 -2.088 10.461 -9.885 1.00 0.00 O ATOM 598 OE2 GLU A 39 -2.968 12.213 -10.881 1.00 0.00 O ATOM 0 H GLU A 39 -5.300 12.327 -6.407 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.375 10.685 -8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.325 11.302 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.974 10.097 -7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.982 12.775 -8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.334 12.667 -8.070 1.00 0.00 H new ATOM 605 N ILE A 40 -5.175 9.049 -5.803 1.00 0.00 N ATOM 606 CA ILE A 40 -5.360 7.742 -5.186 1.00 0.00 C ATOM 607 C ILE A 40 -6.725 7.158 -5.534 1.00 0.00 C ATOM 608 O ILE A 40 -6.826 6.016 -5.980 1.00 0.00 O ATOM 609 CB ILE A 40 -5.217 7.817 -3.656 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.985 8.649 -3.281 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.128 6.415 -3.067 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.576 8.515 -1.835 1.00 0.00 C ATOM 0 H ILE A 40 -4.972 9.801 -5.145 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.580 7.092 -5.582 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.098 8.306 -3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.150 8.350 -3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.188 9.698 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.027 6.481 -1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.032 5.859 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.261 5.901 -3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.698 9.133 -1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.394 8.842 -1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.340 7.473 -1.619 1.00 0.00 H new ATOM 624 N ASP A 41 -7.772 7.954 -5.336 1.00 0.00 N ATOM 625 CA ASP A 41 -9.128 7.518 -5.642 1.00 0.00 C ATOM 626 C ASP A 41 -9.253 7.152 -7.118 1.00 0.00 C ATOM 627 O ASP A 41 -10.046 6.287 -7.492 1.00 0.00 O ATOM 628 CB ASP A 41 -10.133 8.617 -5.288 1.00 0.00 C ATOM 629 CG ASP A 41 -11.569 8.164 -5.465 1.00 0.00 C ATOM 630 OD1 ASP A 41 -12.009 7.279 -4.704 1.00 0.00 O ATOM 631 OD2 ASP A 41 -12.253 8.699 -6.362 1.00 0.00 O ATOM 0 H ASP A 41 -7.706 8.902 -4.966 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.347 6.634 -5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.978 8.929 -4.255 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.950 9.489 -5.915 1.00 0.00 H new ATOM 636 N SER A 42 -8.459 7.819 -7.950 1.00 0.00 N ATOM 637 CA SER A 42 -8.468 7.574 -9.388 1.00 0.00 C ATOM 638 C SER A 42 -7.342 6.624 -9.793 1.00 0.00 C ATOM 639 O SER A 42 -7.170 6.323 -10.974 1.00 0.00 O ATOM 640 CB SER A 42 -8.312 8.893 -10.144 1.00 0.00 C ATOM 641 OG SER A 42 -9.563 9.537 -10.312 1.00 0.00 O ATOM 0 H SER A 42 -7.798 8.536 -7.651 1.00 0.00 H new ATOM 0 HA SER A 42 -9.422 7.112 -9.643 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.632 9.549 -9.600 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.862 8.706 -11.119 1.00 0.00 H new ATOM 0 HG SER A 42 -9.435 10.379 -10.797 1.00 0.00 H new ATOM 647 N LYS A 43 -6.565 6.172 -8.813 1.00 0.00 N ATOM 648 CA LYS A 43 -5.449 5.278 -9.079 1.00 0.00 C ATOM 649 C LYS A 43 -5.527 4.013 -8.234 1.00 0.00 C ATOM 650 O LYS A 43 -5.832 2.933 -8.741 1.00 0.00 O ATOM 651 CB LYS A 43 -4.131 6.002 -8.801 1.00 0.00 C ATOM 652 CG LYS A 43 -3.784 7.051 -9.844 1.00 0.00 C ATOM 653 CD LYS A 43 -2.440 6.782 -10.501 1.00 0.00 C ATOM 654 CE LYS A 43 -2.611 6.345 -11.948 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.356 6.508 -12.732 1.00 0.00 N ATOM 0 H LYS A 43 -6.690 6.411 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.498 4.984 -10.127 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.187 6.479 -7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.326 5.269 -8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.562 7.074 -10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.768 8.035 -9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.826 7.682 -10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.909 6.009 -9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.923 5.301 -11.977 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.406 6.929 -12.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.521 6.215 -13.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.062 7.505 -12.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.608 5.918 -12.316 1.00 0.00 H new ATOM 669 N LEU A 44 -5.232 4.153 -6.947 1.00 0.00 N ATOM 670 CA LEU A 44 -5.245 3.021 -6.031 1.00 0.00 C ATOM 671 C LEU A 44 -6.662 2.567 -5.703 1.00 0.00 C ATOM 672 O LEU A 44 -7.620 3.331 -5.822 1.00 0.00 O ATOM 673 CB LEU A 44 -4.500 3.378 -4.744 1.00 0.00 C ATOM 674 CG LEU A 44 -3.009 3.672 -4.924 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.318 3.774 -3.574 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.354 2.599 -5.781 1.00 0.00 C ATOM 0 H LEU A 44 -4.980 5.042 -6.514 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.741 2.192 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.976 4.250 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.611 2.556 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.906 4.630 -5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.259 3.983 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.769 4.579 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.430 2.833 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.294 2.824 -5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.467 1.628 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.831 2.575 -6.761 1.00 0.00 H new ATOM 688 N GLN A 45 -6.778 1.310 -5.285 1.00 0.00 N ATOM 689 CA GLN A 45 -8.063 0.725 -4.926 1.00 0.00 C ATOM 690 C GLN A 45 -7.865 -0.408 -3.924 1.00 0.00 C ATOM 691 O GLN A 45 -6.748 -0.661 -3.473 1.00 0.00 O ATOM 692 CB GLN A 45 -8.781 0.208 -6.175 1.00 0.00 C ATOM 693 CG GLN A 45 -9.967 1.061 -6.592 1.00 0.00 C ATOM 694 CD GLN A 45 -10.678 0.513 -7.815 1.00 0.00 C ATOM 695 OE1 GLN A 45 -10.384 -0.590 -8.276 1.00 0.00 O ATOM 696 NE2 GLN A 45 -11.620 1.284 -8.346 1.00 0.00 N ATOM 0 H GLN A 45 -5.988 0.672 -5.186 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.680 1.497 -4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.070 0.162 -7.000 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.123 -0.810 -5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.673 1.125 -5.764 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.626 2.075 -6.799 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.831 2.191 -7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.133 0.969 -9.169 1.00 0.00 H new ATOM 705 N ARG A 46 -8.952 -1.087 -3.574 1.00 0.00 N ATOM 706 CA ARG A 46 -8.887 -2.190 -2.622 1.00 0.00 C ATOM 707 C ARG A 46 -8.652 -3.519 -3.335 1.00 0.00 C ATOM 708 O ARG A 46 -9.562 -4.071 -3.954 1.00 0.00 O ATOM 709 CB ARG A 46 -10.177 -2.259 -1.803 1.00 0.00 C ATOM 710 CG ARG A 46 -10.244 -1.231 -0.687 1.00 0.00 C ATOM 711 CD ARG A 46 -11.408 -1.502 0.253 1.00 0.00 C ATOM 712 NE ARG A 46 -12.067 -0.268 0.678 1.00 0.00 N ATOM 713 CZ ARG A 46 -12.942 0.401 -0.068 1.00 0.00 C ATOM 714 NH1 ARG A 46 -13.270 -0.043 -1.276 1.00 0.00 N ATOM 715 NH2 ARG A 46 -13.495 1.513 0.395 1.00 0.00 N ATOM 0 H ARG A 46 -9.887 -0.894 -3.934 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.046 -2.007 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.028 -2.116 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.272 -3.256 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.311 -1.242 -0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.346 -0.234 -1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.132 -2.147 -0.244 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.048 -2.041 1.129 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.842 0.102 1.602 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.851 -0.900 -1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.941 0.473 -1.844 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.250 1.856 1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.166 2.026 -0.177 1.00 0.00 H new ATOM 729 N GLY A 47 -7.427 -4.029 -3.244 1.00 0.00 N ATOM 730 CA GLY A 47 -7.103 -5.292 -3.883 1.00 0.00 C ATOM 731 C GLY A 47 -5.752 -5.281 -4.582 1.00 0.00 C ATOM 732 O GLY A 47 -5.277 -6.323 -5.030 1.00 0.00 O ATOM 0 H GLY A 47 -6.655 -3.592 -2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.111 -6.083 -3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.879 -5.534 -4.610 1.00 0.00 H new ATOM 736 N ASP A 48 -5.135 -4.107 -4.679 1.00 0.00 N ATOM 737 CA ASP A 48 -3.836 -3.983 -5.335 1.00 0.00 C ATOM 738 C ASP A 48 -2.696 -4.122 -4.331 1.00 0.00 C ATOM 739 O ASP A 48 -2.892 -3.955 -3.128 1.00 0.00 O ATOM 740 CB ASP A 48 -3.733 -2.638 -6.058 1.00 0.00 C ATOM 741 CG ASP A 48 -4.706 -2.527 -7.215 1.00 0.00 C ATOM 742 OD1 ASP A 48 -5.714 -3.267 -7.216 1.00 0.00 O ATOM 743 OD2 ASP A 48 -4.461 -1.702 -8.120 1.00 0.00 O ATOM 0 H ASP A 48 -5.511 -3.232 -4.314 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.750 -4.789 -6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.923 -1.832 -5.349 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.716 -2.504 -6.428 1.00 0.00 H new ATOM 748 N ILE A 49 -1.506 -4.428 -4.836 1.00 0.00 N ATOM 749 CA ILE A 49 -0.329 -4.591 -3.985 1.00 0.00 C ATOM 750 C ILE A 49 0.818 -3.716 -4.474 1.00 0.00 C ATOM 751 O ILE A 49 1.286 -3.866 -5.602 1.00 0.00 O ATOM 752 CB ILE A 49 0.150 -6.056 -3.948 1.00 0.00 C ATOM 753 CG1 ILE A 49 -1.039 -7.019 -3.900 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.074 -6.279 -2.760 1.00 0.00 C ATOM 755 CD1 ILE A 49 -1.134 -7.920 -5.112 1.00 0.00 C ATOM 0 H ILE A 49 -1.329 -4.569 -5.831 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.624 -4.289 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 49 0.707 -6.259 -4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.962 -7.635 -3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.960 -6.443 -3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.405 -7.318 -2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.941 -5.623 -2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.540 -6.056 -1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.999 -8.576 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.243 -7.312 -6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.229 -8.523 -5.189 1.00 0.00 H new ATOM 767 N ILE A 50 1.275 -2.803 -3.623 1.00 0.00 N ATOM 768 CA ILE A 50 2.371 -1.914 -3.987 1.00 0.00 C ATOM 769 C ILE A 50 3.700 -2.653 -3.972 1.00 0.00 C ATOM 770 O ILE A 50 4.294 -2.868 -2.916 1.00 0.00 O ATOM 771 CB ILE A 50 2.467 -0.703 -3.043 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.096 -0.048 -2.873 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.479 0.303 -3.574 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.823 0.411 -1.461 1.00 0.00 C ATOM 0 H ILE A 50 0.906 -2.660 -2.683 1.00 0.00 H new ATOM 0 HA ILE A 50 2.158 -1.558 -4.995 1.00 0.00 H new ATOM 0 HB ILE A 50 2.805 -1.050 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.024 0.807 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.323 -0.756 -3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.536 1.154 -2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.458 -0.170 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.168 0.646 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.166 0.866 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.863 -0.444 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.574 1.143 -1.165 1.00 0.00 H new ATOM 786 N THR A 51 4.165 -3.034 -5.156 1.00 0.00 N ATOM 787 CA THR A 51 5.431 -3.747 -5.286 1.00 0.00 C ATOM 788 C THR A 51 6.541 -2.800 -5.734 1.00 0.00 C ATOM 789 O THR A 51 7.554 -3.227 -6.284 1.00 0.00 O ATOM 790 CB THR A 51 5.289 -4.904 -6.278 1.00 0.00 C ATOM 791 OG1 THR A 51 5.334 -4.429 -7.612 1.00 0.00 O ATOM 792 CG2 THR A 51 4.002 -5.682 -6.111 1.00 0.00 C ATOM 0 H THR A 51 3.685 -2.862 -6.039 1.00 0.00 H new ATOM 0 HA THR A 51 5.698 -4.152 -4.310 1.00 0.00 H new ATOM 0 HB THR A 51 6.126 -5.569 -6.067 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.480 -4.616 -8.055 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.966 -6.487 -6.845 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.960 -6.104 -5.107 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.152 -5.016 -6.261 1.00 0.00 H new ATOM 800 N LYS A 52 6.339 -1.510 -5.482 1.00 0.00 N ATOM 801 CA LYS A 52 7.311 -0.487 -5.843 1.00 0.00 C ATOM 802 C LYS A 52 6.954 0.830 -5.164 1.00 0.00 C ATOM 803 O LYS A 52 5.786 1.215 -5.120 1.00 0.00 O ATOM 804 CB LYS A 52 7.364 -0.301 -7.361 1.00 0.00 C ATOM 805 CG LYS A 52 8.658 -0.796 -7.989 1.00 0.00 C ATOM 806 CD LYS A 52 9.360 0.305 -8.768 1.00 0.00 C ATOM 807 CE LYS A 52 10.738 -0.135 -9.234 1.00 0.00 C ATOM 808 NZ LYS A 52 11.359 0.861 -10.150 1.00 0.00 N ATOM 0 H LYS A 52 5.502 -1.148 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 52 8.296 -0.809 -5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.525 -0.830 -7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.238 0.756 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.321 -1.170 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.443 -1.633 -8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.755 0.584 -9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.452 1.193 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.383 -0.284 -8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.660 -1.096 -9.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.908 0.365 -10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.614 1.429 -10.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.990 1.485 -9.608 1.00 0.00 H new ATOM 822 N PHE A 53 7.956 1.506 -4.624 1.00 0.00 N ATOM 823 CA PHE A 53 7.728 2.769 -3.934 1.00 0.00 C ATOM 824 C PHE A 53 8.862 3.756 -4.197 1.00 0.00 C ATOM 825 O PHE A 53 9.987 3.564 -3.737 1.00 0.00 O ATOM 826 CB PHE A 53 7.583 2.511 -2.435 1.00 0.00 C ATOM 827 CG PHE A 53 7.286 3.740 -1.630 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.314 4.538 -1.158 1.00 0.00 C ATOM 829 CD2 PHE A 53 5.978 4.091 -1.335 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.046 5.665 -0.408 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.704 5.217 -0.586 1.00 0.00 C ATOM 832 CZ PHE A 53 6.738 6.005 -0.122 1.00 0.00 C ATOM 0 H PHE A 53 8.930 1.205 -4.649 1.00 0.00 H new ATOM 0 HA PHE A 53 6.809 3.213 -4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.786 1.785 -2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.503 2.060 -2.064 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.338 4.275 -1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.165 3.477 -1.695 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.857 6.280 -0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.681 5.482 -0.363 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.525 6.887 0.464 1.00 0.00 H new ATOM 842 N ASN A 54 8.553 4.814 -4.944 1.00 0.00 N ATOM 843 CA ASN A 54 9.541 5.837 -5.273 1.00 0.00 C ATOM 844 C ASN A 54 10.779 5.215 -5.914 1.00 0.00 C ATOM 845 O ASN A 54 11.909 5.526 -5.541 1.00 0.00 O ATOM 846 CB ASN A 54 9.933 6.617 -4.014 1.00 0.00 C ATOM 847 CG ASN A 54 9.174 7.924 -3.884 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.599 8.957 -4.401 1.00 0.00 O ATOM 849 ND2 ASN A 54 8.042 7.885 -3.189 1.00 0.00 N ATOM 0 H ASN A 54 7.625 4.985 -5.333 1.00 0.00 H new ATOM 0 HA ASN A 54 9.094 6.524 -5.992 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.744 6.001 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.003 6.822 -4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.489 8.733 -3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.726 7.007 -2.777 1.00 0.00 H new ATOM 856 N GLY A 55 10.554 4.331 -6.881 1.00 0.00 N ATOM 857 CA GLY A 55 11.660 3.676 -7.555 1.00 0.00 C ATOM 858 C GLY A 55 12.362 2.667 -6.668 1.00 0.00 C ATOM 859 O GLY A 55 13.522 2.325 -6.903 1.00 0.00 O ATOM 0 H GLY A 55 9.628 4.057 -7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.291 3.174 -8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.378 4.428 -7.884 1.00 0.00 H new ATOM 863 N ASP A 56 11.658 2.188 -5.646 1.00 0.00 N ATOM 864 CA ASP A 56 12.218 1.211 -4.721 1.00 0.00 C ATOM 865 C ASP A 56 11.315 -0.012 -4.616 1.00 0.00 C ATOM 866 O ASP A 56 10.248 0.042 -4.005 1.00 0.00 O ATOM 867 CB ASP A 56 12.410 1.837 -3.338 1.00 0.00 C ATOM 868 CG ASP A 56 13.485 1.136 -2.530 1.00 0.00 C ATOM 869 OD1 ASP A 56 13.179 0.093 -1.915 1.00 0.00 O ATOM 870 OD2 ASP A 56 14.632 1.629 -2.514 1.00 0.00 O ATOM 0 H ASP A 56 10.698 2.462 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 56 13.188 0.896 -5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.673 2.889 -3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.467 1.801 -2.792 1.00 0.00 H new ATOM 875 N ALA A 57 11.749 -1.113 -5.219 1.00 0.00 N ATOM 876 CA ALA A 57 10.979 -2.351 -5.197 1.00 0.00 C ATOM 877 C ALA A 57 10.688 -2.797 -3.770 1.00 0.00 C ATOM 878 O ALA A 57 11.604 -3.027 -2.979 1.00 0.00 O ATOM 879 CB ALA A 57 11.720 -3.443 -5.953 1.00 0.00 C ATOM 0 H ALA A 57 12.630 -1.174 -5.729 1.00 0.00 H new ATOM 0 HA ALA A 57 10.024 -2.164 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.135 -4.363 -5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.868 -3.133 -6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.689 -3.617 -5.484 1.00 0.00 H new ATOM 885 N LEU A 58 9.405 -2.928 -3.448 1.00 0.00 N ATOM 886 CA LEU A 58 8.989 -3.357 -2.116 1.00 0.00 C ATOM 887 C LEU A 58 8.762 -4.868 -2.080 1.00 0.00 C ATOM 888 O LEU A 58 8.053 -5.377 -1.211 1.00 0.00 O ATOM 889 CB LEU A 58 7.709 -2.625 -1.696 1.00 0.00 C ATOM 890 CG LEU A 58 7.712 -1.113 -1.938 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.289 -0.576 -2.022 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.485 -0.397 -0.838 1.00 0.00 C ATOM 0 H LEU A 58 8.635 -2.743 -4.091 1.00 0.00 H new ATOM 0 HA LEU A 58 9.786 -3.109 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.867 -3.061 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.538 -2.806 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 58 8.207 -0.923 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.316 0.500 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.765 -1.062 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.767 -0.781 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.476 0.676 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.018 -0.600 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.515 -0.755 -0.825 1.00 0.00 H new ATOM 904 N GLU A 59 9.365 -5.581 -3.028 1.00 0.00 N ATOM 905 CA GLU A 59 9.225 -7.032 -3.106 1.00 0.00 C ATOM 906 C GLU A 59 10.118 -7.726 -2.081 1.00 0.00 C ATOM 907 O GLU A 59 11.235 -7.284 -1.812 1.00 0.00 O ATOM 908 CB GLU A 59 9.570 -7.521 -4.515 1.00 0.00 C ATOM 909 CG GLU A 59 8.486 -8.384 -5.141 1.00 0.00 C ATOM 910 CD GLU A 59 8.687 -8.582 -6.630 1.00 0.00 C ATOM 911 OE1 GLU A 59 9.413 -9.524 -7.013 1.00 0.00 O ATOM 912 OE2 GLU A 59 8.116 -7.796 -7.417 1.00 0.00 O ATOM 0 H GLU A 59 9.956 -5.176 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 59 8.188 -7.283 -2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.751 -6.658 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.499 -8.090 -4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.470 -9.356 -4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.514 -7.923 -4.967 1.00 0.00 H new ATOM 919 N GLY A 60 9.614 -8.818 -1.516 1.00 0.00 N ATOM 920 CA GLY A 60 10.375 -9.563 -0.530 1.00 0.00 C ATOM 921 C GLY A 60 10.726 -8.734 0.690 1.00 0.00 C ATOM 922 O GLY A 60 11.694 -9.031 1.391 1.00 0.00 O ATOM 0 H GLY A 60 8.692 -9.201 -1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.801 -10.435 -0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.292 -9.932 -0.989 1.00 0.00 H new ATOM 926 N LEU A 61 9.939 -7.693 0.948 1.00 0.00 N ATOM 927 CA LEU A 61 10.177 -6.824 2.095 1.00 0.00 C ATOM 928 C LEU A 61 9.012 -6.894 3.081 1.00 0.00 C ATOM 929 O LEU A 61 7.849 -6.911 2.676 1.00 0.00 O ATOM 930 CB LEU A 61 10.381 -5.380 1.631 1.00 0.00 C ATOM 931 CG LEU A 61 11.726 -5.099 0.957 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.849 -3.624 0.607 1.00 0.00 C ATOM 933 CD2 LEU A 61 12.872 -5.533 1.856 1.00 0.00 C ATOM 0 H LEU A 61 9.133 -7.432 0.380 1.00 0.00 H new ATOM 0 HA LEU A 61 11.079 -7.168 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.583 -5.122 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.279 -4.720 2.492 1.00 0.00 H new ATOM 0 HG LEU A 61 11.777 -5.676 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.811 -3.443 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.046 -3.344 -0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.778 -3.027 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.821 -5.326 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.825 -4.983 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.793 -6.602 2.056 1.00 0.00 H new ATOM 945 N PRO A 62 9.305 -6.933 4.395 1.00 0.00 N ATOM 946 CA PRO A 62 8.268 -6.999 5.432 1.00 0.00 C ATOM 947 C PRO A 62 7.290 -5.833 5.343 1.00 0.00 C ATOM 948 O PRO A 62 7.172 -5.186 4.302 1.00 0.00 O ATOM 949 CB PRO A 62 9.059 -6.930 6.743 1.00 0.00 C ATOM 950 CG PRO A 62 10.437 -7.370 6.385 1.00 0.00 C ATOM 951 CD PRO A 62 10.662 -6.915 4.972 1.00 0.00 C ATOM 0 HA PRO A 62 7.658 -7.897 5.337 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.061 -5.919 7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.622 -7.579 7.502 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.174 -6.932 7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.535 -8.453 6.467 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.103 -5.919 4.935 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.337 -7.582 4.436 1.00 0.00 H new ATOM 959 N PHE A 63 6.590 -5.565 6.442 1.00 0.00 N ATOM 960 CA PHE A 63 5.626 -4.474 6.483 1.00 0.00 C ATOM 961 C PHE A 63 6.194 -3.271 7.229 1.00 0.00 C ATOM 962 O PHE A 63 5.772 -2.136 7.005 1.00 0.00 O ATOM 963 CB PHE A 63 4.326 -4.929 7.147 1.00 0.00 C ATOM 964 CG PHE A 63 3.216 -3.922 7.039 1.00 0.00 C ATOM 965 CD1 PHE A 63 3.171 -2.824 7.883 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.218 -4.074 6.091 1.00 0.00 C ATOM 967 CE1 PHE A 63 2.149 -1.898 7.784 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.195 -3.153 5.988 1.00 0.00 C ATOM 969 CZ PHE A 63 1.160 -2.063 6.834 1.00 0.00 C ATOM 0 H PHE A 63 6.673 -6.088 7.314 1.00 0.00 H new ATOM 0 HA PHE A 63 5.415 -4.178 5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.003 -5.865 6.692 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.518 -5.136 8.200 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.943 -2.690 8.626 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.240 -4.923 5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.124 -1.047 8.448 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.422 -3.285 5.245 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.361 -1.341 6.753 1.00 0.00 H new ATOM 979 N GLN A 64 7.156 -3.521 8.112 1.00 0.00 N ATOM 980 CA GLN A 64 7.782 -2.450 8.881 1.00 0.00 C ATOM 981 C GLN A 64 8.394 -1.412 7.950 1.00 0.00 C ATOM 982 O GLN A 64 8.176 -0.211 8.107 1.00 0.00 O ATOM 983 CB GLN A 64 8.859 -3.017 9.808 1.00 0.00 C ATOM 984 CG GLN A 64 8.400 -4.222 10.613 1.00 0.00 C ATOM 985 CD GLN A 64 7.124 -3.955 11.387 1.00 0.00 C ATOM 986 OE1 GLN A 64 7.027 -2.978 12.129 1.00 0.00 O ATOM 987 NE2 GLN A 64 6.136 -4.826 11.216 1.00 0.00 N ATOM 0 H GLN A 64 7.518 -4.453 8.313 1.00 0.00 H new ATOM 0 HA GLN A 64 7.013 -1.970 9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.727 -3.299 9.212 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.184 -2.235 10.494 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.243 -5.065 9.940 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.188 -4.512 11.308 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.260 -5.622 10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.253 -4.699 11.710 1.00 0.00 H new ATOM 996 N VAL A 65 9.161 -1.887 6.974 1.00 0.00 N ATOM 997 CA VAL A 65 9.805 -1.006 6.009 1.00 0.00 C ATOM 998 C VAL A 65 8.771 -0.265 5.167 1.00 0.00 C ATOM 999 O VAL A 65 8.863 0.949 4.983 1.00 0.00 O ATOM 1000 CB VAL A 65 10.750 -1.787 5.075 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.950 -2.311 5.848 1.00 0.00 C ATOM 1002 CG2 VAL A 65 10.009 -2.928 4.392 1.00 0.00 C ATOM 0 H VAL A 65 9.351 -2.879 6.831 1.00 0.00 H new ATOM 0 HA VAL A 65 10.389 -0.285 6.580 1.00 0.00 H new ATOM 0 HB VAL A 65 11.110 -1.106 4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.606 -2.860 5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.496 -1.474 6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.609 -2.975 6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.694 -3.466 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.617 -3.610 5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.185 -2.526 3.803 1.00 0.00 H new ATOM 1012 N CYS A 66 7.785 -1.000 4.664 1.00 0.00 N ATOM 1013 CA CYS A 66 6.731 -0.409 3.846 1.00 0.00 C ATOM 1014 C CYS A 66 5.991 0.678 4.617 1.00 0.00 C ATOM 1015 O CYS A 66 5.840 1.800 4.137 1.00 0.00 O ATOM 1016 CB CYS A 66 5.749 -1.488 3.387 1.00 0.00 C ATOM 1017 SG CYS A 66 6.144 -2.212 1.778 1.00 0.00 S ATOM 0 H CYS A 66 7.693 -2.006 4.808 1.00 0.00 H new ATOM 0 HA CYS A 66 7.194 0.045 2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.723 -2.282 4.134 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.748 -1.058 3.344 1.00 0.00 H new ATOM 0 HG CYS A 66 5.258 -3.115 1.479 1.00 0.00 H new ATOM 1023 N TYR A 67 5.533 0.337 5.816 1.00 0.00 N ATOM 1024 CA TYR A 67 4.813 1.285 6.654 1.00 0.00 C ATOM 1025 C TYR A 67 5.668 2.516 6.945 1.00 0.00 C ATOM 1026 O TYR A 67 5.150 3.618 7.125 1.00 0.00 O ATOM 1027 CB TYR A 67 4.398 0.626 7.970 1.00 0.00 C ATOM 1028 CG TYR A 67 3.244 1.327 8.650 1.00 0.00 C ATOM 1029 CD1 TYR A 67 2.005 1.427 8.029 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.394 1.893 9.909 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.949 2.072 8.643 1.00 0.00 C ATOM 1032 CE2 TYR A 67 2.342 2.541 10.530 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.122 2.628 9.893 1.00 0.00 C ATOM 1034 OH TYR A 67 0.073 3.274 10.506 1.00 0.00 O ATOM 0 H TYR A 67 5.648 -0.589 6.228 1.00 0.00 H new ATOM 0 HA TYR A 67 3.921 1.599 6.112 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.122 -0.411 7.778 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.253 0.609 8.646 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.865 0.993 7.050 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.348 1.826 10.411 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.008 2.141 8.146 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.475 2.977 11.509 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.495 2.617 10.960 1.00 0.00 H new ATOM 1044 N ALA A 68 6.984 2.316 7.008 1.00 0.00 N ATOM 1045 CA ALA A 68 7.914 3.404 7.302 1.00 0.00 C ATOM 1046 C ALA A 68 8.057 4.378 6.136 1.00 0.00 C ATOM 1047 O ALA A 68 7.930 5.589 6.316 1.00 0.00 O ATOM 1048 CB ALA A 68 9.273 2.836 7.671 1.00 0.00 C ATOM 0 H ALA A 68 7.429 1.411 6.859 1.00 0.00 H new ATOM 0 HA ALA A 68 7.504 3.963 8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.962 3.652 7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.175 2.200 8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.660 2.248 6.839 1.00 0.00 H new ATOM 1054 N LEU A 69 8.325 3.855 4.944 1.00 0.00 N ATOM 1055 CA LEU A 69 8.484 4.706 3.769 1.00 0.00 C ATOM 1056 C LEU A 69 7.148 5.326 3.382 1.00 0.00 C ATOM 1057 O LEU A 69 7.093 6.449 2.880 1.00 0.00 O ATOM 1058 CB LEU A 69 9.062 3.917 2.593 1.00 0.00 C ATOM 1059 CG LEU A 69 8.421 2.547 2.355 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.651 2.535 1.044 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.480 1.453 2.365 1.00 0.00 C ATOM 0 H LEU A 69 8.436 2.857 4.766 1.00 0.00 H new ATOM 0 HA LEU A 69 9.184 5.503 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.955 4.514 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.130 3.778 2.759 1.00 0.00 H new ATOM 0 HG LEU A 69 7.718 2.352 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.203 1.553 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.866 3.290 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.331 2.753 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.006 0.486 2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.208 1.644 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.985 1.444 3.331 1.00 0.00 H new ATOM 1073 N PHE A 70 6.072 4.588 3.629 1.00 0.00 N ATOM 1074 CA PHE A 70 4.734 5.069 3.320 1.00 0.00 C ATOM 1075 C PHE A 70 4.312 6.137 4.322 1.00 0.00 C ATOM 1076 O PHE A 70 3.526 7.028 4.001 1.00 0.00 O ATOM 1077 CB PHE A 70 3.736 3.911 3.331 1.00 0.00 C ATOM 1078 CG PHE A 70 3.585 3.237 1.999 1.00 0.00 C ATOM 1079 CD1 PHE A 70 3.142 3.950 0.898 1.00 0.00 C ATOM 1080 CD2 PHE A 70 3.890 1.894 1.845 1.00 0.00 C ATOM 1081 CE1 PHE A 70 3.006 3.337 -0.332 1.00 0.00 C ATOM 1082 CE2 PHE A 70 3.754 1.276 0.617 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.312 1.999 -0.473 1.00 0.00 C ATOM 0 H PHE A 70 6.101 3.656 4.042 1.00 0.00 H new ATOM 0 HA PHE A 70 4.746 5.509 2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.055 3.174 4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.763 4.283 3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.900 4.997 1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.238 1.324 2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.660 3.905 -1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.993 0.228 0.510 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.206 1.518 -1.434 1.00 0.00 H new ATOM 1093 N LYS A 71 4.846 6.045 5.539 1.00 0.00 N ATOM 1094 CA LYS A 71 4.532 7.006 6.590 1.00 0.00 C ATOM 1095 C LYS A 71 5.431 8.234 6.484 1.00 0.00 C ATOM 1096 O LYS A 71 4.988 9.362 6.701 1.00 0.00 O ATOM 1097 CB LYS A 71 4.702 6.364 7.968 1.00 0.00 C ATOM 1098 CG LYS A 71 3.456 5.656 8.471 1.00 0.00 C ATOM 1099 CD LYS A 71 3.452 5.544 9.988 1.00 0.00 C ATOM 1100 CE LYS A 71 4.680 4.805 10.498 1.00 0.00 C ATOM 1101 NZ LYS A 71 4.532 4.391 11.921 1.00 0.00 N ATOM 0 H LYS A 71 5.499 5.313 5.820 1.00 0.00 H new ATOM 0 HA LYS A 71 3.495 7.316 6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.524 5.649 7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.986 7.134 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.570 6.200 8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.400 4.660 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.418 6.541 10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.552 5.022 10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.855 3.924 9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.556 5.445 10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.470 4.338 12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.948 5.087 12.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.074 3.458 11.965 1.00 0.00 H new ATOM 1115 N GLY A 72 6.698 8.002 6.155 1.00 0.00 N ATOM 1116 CA GLY A 72 7.648 9.092 6.032 1.00 0.00 C ATOM 1117 C GLY A 72 7.476 9.881 4.749 1.00 0.00 C ATOM 1118 O GLY A 72 7.894 11.034 4.669 1.00 0.00 O ATOM 0 H GLY A 72 7.084 7.076 5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.536 9.763 6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.661 8.691 6.073 1.00 0.00 H new ATOM 1122 N ALA A 73 6.863 9.261 3.743 1.00 0.00 N ATOM 1123 CA ALA A 73 6.638 9.916 2.455 1.00 0.00 C ATOM 1124 C ALA A 73 6.134 11.348 2.630 1.00 0.00 C ATOM 1125 O ALA A 73 5.159 11.591 3.340 1.00 0.00 O ATOM 1126 CB ALA A 73 5.656 9.106 1.626 1.00 0.00 C ATOM 0 H ALA A 73 6.513 8.304 3.794 1.00 0.00 H new ATOM 0 HA ALA A 73 7.593 9.967 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.494 9.601 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.060 8.108 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.708 9.027 2.159 1.00 0.00 H new ATOM 1132 N ASN A 74 6.801 12.293 1.975 1.00 0.00 N ATOM 1133 CA ASN A 74 6.416 13.698 2.056 1.00 0.00 C ATOM 1134 C ASN A 74 6.975 14.480 0.874 1.00 0.00 C ATOM 1135 O ASN A 74 8.166 14.787 0.821 1.00 0.00 O ATOM 1136 CB ASN A 74 6.898 14.318 3.371 1.00 0.00 C ATOM 1137 CG ASN A 74 8.408 14.322 3.496 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.056 15.352 3.310 1.00 0.00 O ATOM 1139 ND2 ASN A 74 8.975 13.165 3.809 1.00 0.00 N ATOM 0 H ASN A 74 7.611 12.111 1.382 1.00 0.00 H new ATOM 0 HA ASN A 74 5.328 13.750 2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.529 15.341 3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.470 13.765 4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.989 13.103 3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.398 12.337 3.954 1.00 0.00 H new ATOM 1146 N GLY A 75 6.104 14.791 -0.080 1.00 0.00 N ATOM 1147 CA GLY A 75 6.522 15.527 -1.258 1.00 0.00 C ATOM 1148 C GLY A 75 6.552 14.653 -2.494 1.00 0.00 C ATOM 1149 O GLY A 75 7.598 14.115 -2.857 1.00 0.00 O ATOM 0 H GLY A 75 5.114 14.546 -0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.843 16.364 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.513 15.949 -1.089 1.00 0.00 H new ATOM 1153 N LYS A 76 5.399 14.502 -3.136 1.00 0.00 N ATOM 1154 CA LYS A 76 5.288 13.680 -4.331 1.00 0.00 C ATOM 1155 C LYS A 76 5.656 12.232 -4.016 1.00 0.00 C ATOM 1156 O LYS A 76 6.800 11.930 -3.676 1.00 0.00 O ATOM 1157 CB LYS A 76 6.186 14.233 -5.434 1.00 0.00 C ATOM 1158 CG LYS A 76 5.547 14.196 -6.814 1.00 0.00 C ATOM 1159 CD LYS A 76 5.018 15.563 -7.222 1.00 0.00 C ATOM 1160 CE LYS A 76 3.615 15.468 -7.801 1.00 0.00 C ATOM 1161 NZ LYS A 76 3.633 15.227 -9.269 1.00 0.00 N ATOM 0 H LYS A 76 4.525 14.941 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 76 4.255 13.704 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.452 15.262 -5.193 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.114 13.661 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.279 13.855 -7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.731 13.473 -6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.011 16.225 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.687 16.008 -7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.073 14.661 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.073 16.390 -7.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.657 15.169 -9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.127 16.009 -9.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.127 14.334 -9.468 1.00 0.00 H new ATOM 1175 N VAL A 77 4.673 11.345 -4.119 1.00 0.00 N ATOM 1176 CA VAL A 77 4.879 9.930 -3.830 1.00 0.00 C ATOM 1177 C VAL A 77 4.407 9.053 -4.982 1.00 0.00 C ATOM 1178 O VAL A 77 3.206 8.887 -5.189 1.00 0.00 O ATOM 1179 CB VAL A 77 4.125 9.505 -2.557 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.037 9.575 -1.349 1.00 0.00 C ATOM 1181 CG2 VAL A 77 2.888 10.356 -2.353 1.00 0.00 C ATOM 0 H VAL A 77 3.722 11.582 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 77 5.951 9.796 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 77 3.803 8.471 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.486 9.271 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.887 8.908 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.395 10.597 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.372 10.037 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.178 11.402 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.223 10.242 -3.209 1.00 0.00 H new ATOM 1191 N SER A 78 5.353 8.475 -5.710 1.00 0.00 N ATOM 1192 CA SER A 78 5.024 7.599 -6.827 1.00 0.00 C ATOM 1193 C SER A 78 5.131 6.141 -6.397 1.00 0.00 C ATOM 1194 O SER A 78 6.212 5.664 -6.055 1.00 0.00 O ATOM 1195 CB SER A 78 5.953 7.869 -8.009 1.00 0.00 C ATOM 1196 OG SER A 78 5.649 7.019 -9.103 1.00 0.00 O ATOM 0 H SER A 78 6.353 8.596 -5.548 1.00 0.00 H new ATOM 0 HA SER A 78 3.999 7.802 -7.139 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.861 8.910 -8.317 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.988 7.717 -7.704 1.00 0.00 H new ATOM 0 HG SER A 78 5.447 6.119 -8.772 1.00 0.00 H new ATOM 1202 N MET A 79 4.002 5.444 -6.396 1.00 0.00 N ATOM 1203 CA MET A 79 3.975 4.046 -5.983 1.00 0.00 C ATOM 1204 C MET A 79 3.437 3.145 -7.089 1.00 0.00 C ATOM 1205 O MET A 79 2.320 3.336 -7.570 1.00 0.00 O ATOM 1206 CB MET A 79 3.117 3.881 -4.724 1.00 0.00 C ATOM 1207 CG MET A 79 3.035 5.134 -3.866 1.00 0.00 C ATOM 1208 SD MET A 79 1.506 6.051 -4.119 1.00 0.00 S ATOM 1209 CE MET A 79 0.665 5.711 -2.578 1.00 0.00 C ATOM 0 H MET A 79 3.096 5.821 -6.675 1.00 0.00 H new ATOM 0 HA MET A 79 5.001 3.747 -5.768 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.109 3.588 -5.019 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.523 3.067 -4.123 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.117 4.856 -2.815 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.883 5.780 -4.092 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.304 6.210 -2.575 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.520 4.636 -2.472 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.266 6.080 -1.747 1.00 0.00 H new ATOM 1219 N GLU A 80 4.231 2.150 -7.478 1.00 0.00 N ATOM 1220 CA GLU A 80 3.818 1.212 -8.513 1.00 0.00 C ATOM 1221 C GLU A 80 3.005 0.076 -7.900 1.00 0.00 C ATOM 1222 O GLU A 80 3.550 -0.800 -7.228 1.00 0.00 O ATOM 1223 CB GLU A 80 5.033 0.651 -9.257 1.00 0.00 C ATOM 1224 CG GLU A 80 4.993 0.891 -10.758 1.00 0.00 C ATOM 1225 CD GLU A 80 6.305 1.419 -11.301 1.00 0.00 C ATOM 1226 OE1 GLU A 80 7.025 2.109 -10.550 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.614 1.141 -12.479 1.00 0.00 O ATOM 0 H GLU A 80 5.159 1.975 -7.093 1.00 0.00 H new ATOM 0 HA GLU A 80 3.195 1.747 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.938 1.102 -8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.099 -0.421 -9.071 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.744 -0.042 -11.264 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.198 1.600 -10.987 1.00 0.00 H new ATOM 1234 N VAL A 81 1.697 0.111 -8.121 1.00 0.00 N ATOM 1235 CA VAL A 81 0.801 -0.904 -7.575 1.00 0.00 C ATOM 1236 C VAL A 81 0.500 -2.001 -8.589 1.00 0.00 C ATOM 1237 O VAL A 81 0.353 -1.741 -9.782 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.527 -0.294 -7.091 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.400 0.180 -5.655 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -0.962 0.842 -7.998 1.00 0.00 C ATOM 0 H VAL A 81 1.232 0.831 -8.674 1.00 0.00 H new ATOM 0 HA VAL A 81 1.325 -1.340 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.294 -1.067 -7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.347 0.609 -5.328 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.143 -0.664 -5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.382 0.936 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.903 1.257 -7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.198 1.620 -7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.098 0.466 -9.012 1.00 0.00 H new ATOM 1250 N THR A 82 0.405 -3.231 -8.093 1.00 0.00 N ATOM 1251 CA THR A 82 0.117 -4.382 -8.939 1.00 0.00 C ATOM 1252 C THR A 82 -1.296 -4.899 -8.680 1.00 0.00 C ATOM 1253 O THR A 82 -1.616 -5.327 -7.571 1.00 0.00 O ATOM 1254 CB THR A 82 1.136 -5.496 -8.676 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.455 -5.050 -8.943 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.892 -6.737 -9.508 1.00 0.00 C ATOM 0 H THR A 82 0.524 -3.456 -7.105 1.00 0.00 H new ATOM 0 HA THR A 82 0.188 -4.070 -9.981 1.00 0.00 H new ATOM 0 HB THR A 82 1.015 -5.753 -7.624 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.431 -4.117 -9.243 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.648 -7.487 -9.274 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.097 -7.137 -9.284 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.949 -6.483 -10.566 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.138 -4.854 -9.707 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.516 -5.316 -9.584 1.00 0.00 C ATOM 1266 C ARG A 83 -3.701 -6.674 -10.257 1.00 0.00 C ATOM 1267 O ARG A 83 -3.953 -6.751 -11.461 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.476 -4.293 -10.195 1.00 0.00 C ATOM 1269 CG ARG A 83 -4.047 -3.798 -11.566 1.00 0.00 C ATOM 1270 CD ARG A 83 -5.076 -2.853 -12.165 1.00 0.00 C ATOM 1271 NE ARG A 83 -4.526 -2.074 -13.270 1.00 0.00 N ATOM 1272 CZ ARG A 83 -5.271 -1.403 -14.147 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -6.595 -1.414 -14.050 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -4.691 -0.718 -15.123 1.00 0.00 N ATOM 0 H ARG A 83 -1.891 -4.503 -10.632 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.741 -5.426 -8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.467 -4.739 -10.273 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.562 -3.441 -9.521 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.087 -3.288 -11.486 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.902 -4.649 -12.232 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.933 -3.427 -12.517 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.441 -2.177 -11.392 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.512 -2.042 -13.377 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.047 -1.938 -13.301 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.160 -0.898 -14.725 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.674 -0.705 -15.202 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.262 -0.204 -15.794 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.578 -7.768 -9.486 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.736 -9.125 -10.014 1.00 0.00 C ATOM 1290 C PRO A 84 -5.188 -9.451 -10.350 1.00 0.00 C ATOM 1291 O PRO A 84 -6.069 -8.600 -10.230 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.243 -10.011 -8.868 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.469 -9.202 -7.638 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.278 -7.766 -8.041 1.00 0.00 C ATOM 0 HA PRO A 84 -3.189 -9.265 -10.946 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.793 -10.951 -8.830 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.189 -10.263 -8.988 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.472 -9.366 -7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.767 -9.483 -6.853 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.948 -7.103 -7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.262 -7.426 -7.843 1.00 0.00 H new ATOM 1302 N LYS A 85 -5.430 -10.687 -10.775 1.00 0.00 N ATOM 1303 CA LYS A 85 -6.775 -11.123 -11.128 1.00 0.00 C ATOM 1304 C LYS A 85 -7.475 -11.758 -9.929 1.00 0.00 C ATOM 1305 O LYS A 85 -6.823 -12.233 -8.998 1.00 0.00 O ATOM 1306 CB LYS A 85 -6.723 -12.121 -12.288 1.00 0.00 C ATOM 1307 CG LYS A 85 -5.736 -13.256 -12.070 1.00 0.00 C ATOM 1308 CD LYS A 85 -4.484 -13.076 -12.912 1.00 0.00 C ATOM 1309 CE LYS A 85 -4.629 -13.733 -14.275 1.00 0.00 C ATOM 1310 NZ LYS A 85 -4.861 -15.200 -14.163 1.00 0.00 N ATOM 0 H LYS A 85 -4.712 -11.404 -10.883 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.344 -10.246 -11.436 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.718 -12.540 -12.441 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.457 -11.590 -13.202 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.463 -13.304 -11.016 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.210 -14.205 -12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.280 -12.013 -13.039 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.629 -13.504 -12.390 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.459 -13.274 -14.813 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.729 -13.552 -14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.496 -15.675 -15.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.369 -15.566 -13.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.881 -15.384 -14.075 1.00 0.00 H new ATOM 1324 N PRO A 86 -8.819 -11.775 -9.936 1.00 0.00 N ATOM 1325 CA PRO A 86 -9.608 -12.358 -8.844 1.00 0.00 C ATOM 1326 C PRO A 86 -9.394 -13.862 -8.715 1.00 0.00 C ATOM 1327 O PRO A 86 -8.886 -14.507 -9.632 1.00 0.00 O ATOM 1328 CB PRO A 86 -11.056 -12.056 -9.241 1.00 0.00 C ATOM 1329 CG PRO A 86 -11.013 -11.847 -10.716 1.00 0.00 C ATOM 1330 CD PRO A 86 -9.675 -11.233 -11.006 1.00 0.00 C ATOM 0 HA PRO A 86 -9.326 -11.945 -7.876 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.718 -12.881 -8.978 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.430 -11.171 -8.727 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.133 -12.791 -11.248 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.822 -11.193 -11.041 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.310 -11.511 -11.994 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.716 -10.144 -10.976 1.00 0.00 H new ATOM 1338 N GLY A 87 -9.784 -14.414 -7.571 1.00 0.00 N ATOM 1339 CA GLY A 87 -9.627 -15.839 -7.344 1.00 0.00 C ATOM 1340 C GLY A 87 -10.453 -16.336 -6.175 1.00 0.00 C ATOM 1341 O GLY A 87 -11.576 -15.878 -5.960 1.00 0.00 O ATOM 0 H GLY A 87 -10.206 -13.901 -6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.916 -16.381 -8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.575 -16.061 -7.162 1.00 0.00 H new ATOM 1345 N SER A 88 -9.898 -17.274 -5.417 1.00 0.00 N ATOM 1346 CA SER A 88 -10.590 -17.834 -4.263 1.00 0.00 C ATOM 1347 C SER A 88 -10.288 -17.029 -3.002 1.00 0.00 C ATOM 1348 O SER A 88 -9.187 -17.102 -2.456 1.00 0.00 O ATOM 1349 CB SER A 88 -10.185 -19.297 -4.058 1.00 0.00 C ATOM 1350 OG SER A 88 -11.321 -20.113 -3.830 1.00 0.00 O ATOM 0 H SER A 88 -8.970 -17.663 -5.581 1.00 0.00 H new ATOM 0 HA SER A 88 -11.662 -17.784 -4.455 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.646 -19.655 -4.935 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.502 -19.374 -3.212 1.00 0.00 H new ATOM 0 HG SER A 88 -11.036 -21.042 -3.704 1.00 0.00 H new ATOM 1356 N GLY A 89 -11.273 -16.262 -2.547 1.00 0.00 N ATOM 1357 CA GLY A 89 -11.092 -15.454 -1.355 1.00 0.00 C ATOM 1358 C GLY A 89 -12.345 -15.391 -0.502 1.00 0.00 C ATOM 1359 O GLY A 89 -12.503 -16.169 0.439 1.00 0.00 O ATOM 0 H GLY A 89 -12.193 -16.185 -2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.273 -15.863 -0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.802 -14.444 -1.645 1.00 0.00 H new ATOM 1363 N GLY A 90 -13.235 -14.461 -0.832 1.00 0.00 N ATOM 1364 CA GLY A 90 -14.468 -14.317 -0.080 1.00 0.00 C ATOM 1365 C GLY A 90 -15.353 -13.212 -0.624 1.00 0.00 C ATOM 1366 O GLY A 90 -15.803 -13.276 -1.768 1.00 0.00 O ATOM 0 H GLY A 90 -13.125 -13.805 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -15.015 -15.260 -0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.231 -14.108 0.963 1.00 0.00 H new ATOM 1370 N SER A 91 -15.602 -12.198 0.197 1.00 0.00 N ATOM 1371 CA SER A 91 -16.439 -11.074 -0.208 1.00 0.00 C ATOM 1372 C SER A 91 -15.736 -10.222 -1.261 1.00 0.00 C ATOM 1373 O SER A 91 -16.385 -9.563 -2.073 1.00 0.00 O ATOM 1374 CB SER A 91 -16.796 -10.214 1.005 1.00 0.00 C ATOM 1375 OG SER A 91 -15.696 -10.101 1.893 1.00 0.00 O ATOM 0 H SER A 91 -15.236 -12.131 1.147 1.00 0.00 H new ATOM 0 HA SER A 91 -17.355 -11.474 -0.643 1.00 0.00 H new ATOM 0 HB2 SER A 91 -17.103 -9.222 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 91 -17.646 -10.653 1.528 1.00 0.00 H new ATOM 0 HG SER A 91 -15.950 -9.545 2.659 1.00 0.00 H new ATOM 1381 N GLY A 92 -14.407 -10.238 -1.239 1.00 0.00 N ATOM 1382 CA GLY A 92 -13.639 -9.461 -2.196 1.00 0.00 C ATOM 1383 C GLY A 92 -12.659 -8.522 -1.523 1.00 0.00 C ATOM 1384 O GLY A 92 -11.465 -8.540 -1.822 1.00 0.00 O ATOM 0 H GLY A 92 -13.848 -10.775 -0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.096 -10.137 -2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.320 -8.884 -2.821 1.00 0.00 H new ATOM 1388 N SER A 93 -13.164 -7.700 -0.609 1.00 0.00 N ATOM 1389 CA SER A 93 -12.325 -6.750 0.112 1.00 0.00 C ATOM 1390 C SER A 93 -11.782 -7.374 1.395 1.00 0.00 C ATOM 1391 O SER A 93 -12.181 -8.473 1.780 1.00 0.00 O ATOM 1392 CB SER A 93 -13.119 -5.483 0.440 1.00 0.00 C ATOM 1393 OG SER A 93 -12.479 -4.331 -0.084 1.00 0.00 O ATOM 0 H SER A 93 -14.150 -7.673 -0.350 1.00 0.00 H new ATOM 0 HA SER A 93 -11.483 -6.485 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.125 -5.563 0.028 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.224 -5.385 1.521 1.00 0.00 H new ATOM 0 HG SER A 93 -13.007 -3.973 -0.828 1.00 0.00 H new ATOM 1399 N LEU A 94 -10.871 -6.665 2.053 1.00 0.00 N ATOM 1400 CA LEU A 94 -10.274 -7.151 3.291 1.00 0.00 C ATOM 1401 C LEU A 94 -10.982 -6.563 4.511 1.00 0.00 C ATOM 1402 O LEU A 94 -10.411 -6.501 5.601 1.00 0.00 O ATOM 1403 CB LEU A 94 -8.783 -6.806 3.332 1.00 0.00 C ATOM 1404 CG LEU A 94 -7.849 -7.924 2.865 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -8.134 -8.289 1.417 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -6.396 -7.509 3.037 1.00 0.00 C ATOM 0 H LEU A 94 -10.530 -5.753 1.750 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.390 -8.234 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.612 -5.926 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.516 -6.533 4.353 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.031 -8.805 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.460 -9.086 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.165 -8.629 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.981 -7.414 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.745 -8.316 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.201 -6.614 2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.200 -7.299 4.088 1.00 0.00 H new ATOM 1418 N VAL A 95 -12.225 -6.130 4.321 1.00 0.00 N ATOM 1419 CA VAL A 95 -13.006 -5.549 5.406 1.00 0.00 C ATOM 1420 C VAL A 95 -14.459 -6.019 5.353 1.00 0.00 C ATOM 1421 O VAL A 95 -15.128 -5.878 4.329 1.00 0.00 O ATOM 1422 CB VAL A 95 -12.970 -4.010 5.354 1.00 0.00 C ATOM 1423 CG1 VAL A 95 -13.589 -3.499 4.062 1.00 0.00 C ATOM 1424 CG2 VAL A 95 -13.670 -3.414 6.565 1.00 0.00 C ATOM 0 H VAL A 95 -12.712 -6.171 3.426 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.556 -5.886 6.340 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.927 -3.693 5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -13.553 -2.410 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -13.032 -3.892 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -14.626 -3.828 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.633 -2.326 6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -14.710 -3.741 6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -13.170 -3.747 7.475 1.00 0.00 H new ATOM 1434 N PRO A 96 -14.971 -6.588 6.459 1.00 0.00 N ATOM 1435 CA PRO A 96 -16.343 -7.080 6.533 1.00 0.00 C ATOM 1436 C PRO A 96 -17.349 -5.991 6.904 1.00 0.00 C ATOM 1437 O PRO A 96 -18.440 -6.284 7.393 1.00 0.00 O ATOM 1438 CB PRO A 96 -16.261 -8.129 7.639 1.00 0.00 C ATOM 1439 CG PRO A 96 -15.186 -7.644 8.554 1.00 0.00 C ATOM 1440 CD PRO A 96 -14.244 -6.804 7.725 1.00 0.00 C ATOM 0 HA PRO A 96 -16.694 -7.460 5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -17.212 -8.225 8.163 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -16.020 -9.112 7.234 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -15.610 -7.057 9.369 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -14.657 -8.483 9.006 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -14.014 -5.860 8.218 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -13.296 -7.316 7.558 1.00 0.00 H new ATOM 1448 N ARG A 97 -16.982 -4.735 6.668 1.00 0.00 N ATOM 1449 CA ARG A 97 -17.858 -3.610 6.975 1.00 0.00 C ATOM 1450 C ARG A 97 -18.201 -3.575 8.462 1.00 0.00 C ATOM 1451 O ARG A 97 -19.368 -3.683 8.846 1.00 0.00 O ATOM 1452 CB ARG A 97 -19.140 -3.693 6.143 1.00 0.00 C ATOM 1453 CG ARG A 97 -18.992 -3.123 4.741 1.00 0.00 C ATOM 1454 CD ARG A 97 -18.931 -1.605 4.761 1.00 0.00 C ATOM 1455 NE ARG A 97 -18.653 -1.052 3.437 1.00 0.00 N ATOM 1456 CZ ARG A 97 -19.564 -0.941 2.472 1.00 0.00 C ATOM 1457 NH1 ARG A 97 -20.813 -1.342 2.681 1.00 0.00 N ATOM 1458 NH2 ARG A 97 -19.228 -0.428 1.298 1.00 0.00 N ATOM 0 H ARG A 97 -16.083 -4.471 6.265 1.00 0.00 H new ATOM 0 HA ARG A 97 -17.329 -2.691 6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -19.450 -4.735 6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -19.936 -3.158 6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.087 -3.519 4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -19.831 -3.446 4.125 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -19.878 -1.209 5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.158 -1.282 5.459 1.00 0.00 H new ATOM 0 HE ARG A 97 -17.705 -0.732 3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -21.078 -1.737 3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.507 -1.255 1.939 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -18.271 -0.117 1.132 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -19.927 -0.343 0.560 1.00 0.00 H new ATOM 1472 N LEU A 98 -17.178 -3.424 9.297 1.00 0.00 N ATOM 1473 CA LEU A 98 -17.371 -3.375 10.741 1.00 0.00 C ATOM 1474 C LEU A 98 -17.517 -1.935 11.226 1.00 0.00 C ATOM 1475 O LEU A 98 -18.580 -1.537 11.702 1.00 0.00 O ATOM 1476 CB LEU A 98 -16.199 -4.058 11.454 1.00 0.00 C ATOM 1477 CG LEU A 98 -16.462 -5.495 11.916 1.00 0.00 C ATOM 1478 CD1 LEU A 98 -17.275 -6.258 10.881 1.00 0.00 C ATOM 1479 CD2 LEU A 98 -15.149 -6.212 12.194 1.00 0.00 C ATOM 0 H LEU A 98 -16.207 -3.333 8.998 1.00 0.00 H new ATOM 0 HA LEU A 98 -18.291 -3.908 10.979 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -15.339 -4.061 10.784 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -15.924 -3.459 12.322 1.00 0.00 H new ATOM 0 HG LEU A 98 -17.040 -5.455 12.839 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -17.448 -7.275 11.232 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -18.232 -5.758 10.729 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -16.728 -6.288 9.939 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -15.353 -7.231 12.521 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -14.548 -6.236 11.285 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -14.604 -5.683 12.975 1.00 0.00 H new ATOM 1491 N LEU A 99 -16.446 -1.160 11.098 1.00 0.00 N ATOM 1492 CA LEU A 99 -16.457 0.236 11.522 1.00 0.00 C ATOM 1493 C LEU A 99 -16.015 1.151 10.385 1.00 0.00 C ATOM 1494 O LEU A 99 -15.656 0.685 9.304 1.00 0.00 O ATOM 1495 CB LEU A 99 -15.544 0.429 12.736 1.00 0.00 C ATOM 1496 CG LEU A 99 -15.941 1.578 13.668 1.00 0.00 C ATOM 1497 CD1 LEU A 99 -16.052 1.091 15.105 1.00 0.00 C ATOM 1498 CD2 LEU A 99 -14.939 2.719 13.568 1.00 0.00 C ATOM 0 H LEU A 99 -15.559 -1.474 10.704 1.00 0.00 H new ATOM 0 HA LEU A 99 -17.478 0.499 11.800 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -15.529 -0.497 13.311 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.527 0.602 12.383 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.917 1.948 13.355 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -16.335 1.923 15.750 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -16.810 0.310 15.167 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -15.091 0.691 15.429 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.238 3.526 14.237 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.950 2.360 13.852 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.911 3.090 12.543 1.00 0.00 H new ATOM 1510 N ARG A 100 -16.047 2.457 10.636 1.00 0.00 N ATOM 1511 CA ARG A 100 -15.651 3.439 9.633 1.00 0.00 C ATOM 1512 C ARG A 100 -14.168 3.314 9.294 1.00 0.00 C ATOM 1513 O ARG A 100 -13.346 4.104 9.760 1.00 0.00 O ATOM 1514 CB ARG A 100 -15.956 4.854 10.129 1.00 0.00 C ATOM 1515 CG ARG A 100 -17.442 5.134 10.291 1.00 0.00 C ATOM 1516 CD ARG A 100 -17.858 5.116 11.754 1.00 0.00 C ATOM 1517 NE ARG A 100 -19.157 4.475 11.947 1.00 0.00 N ATOM 1518 CZ ARG A 100 -19.909 4.636 13.034 1.00 0.00 C ATOM 1519 NH1 ARG A 100 -19.497 5.417 14.025 1.00 0.00 N ATOM 1520 NH2 ARG A 100 -21.077 4.017 13.128 1.00 0.00 N ATOM 0 H ARG A 100 -16.343 2.859 11.525 1.00 0.00 H new ATOM 0 HA ARG A 100 -16.225 3.245 8.727 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -15.459 5.010 11.086 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -15.533 5.575 9.429 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -17.680 6.105 9.856 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -18.016 4.389 9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -17.104 4.589 12.339 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -17.898 6.138 12.132 1.00 0.00 H new ATOM 0 HE ARG A 100 -19.508 3.869 11.206 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -18.600 5.898 13.956 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -20.077 5.536 14.855 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -21.399 3.418 12.368 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -21.654 4.140 13.960 1.00 0.00 H new ATOM 1534 N ARG A 101 -13.836 2.318 8.478 1.00 0.00 N ATOM 1535 CA ARG A 101 -12.455 2.086 8.068 1.00 0.00 C ATOM 1536 C ARG A 101 -11.567 1.762 9.269 1.00 0.00 C ATOM 1537 O ARG A 101 -11.257 0.598 9.524 1.00 0.00 O ATOM 1538 CB ARG A 101 -11.911 3.295 7.304 1.00 0.00 C ATOM 1539 CG ARG A 101 -12.749 3.673 6.093 1.00 0.00 C ATOM 1540 CD ARG A 101 -13.670 4.845 6.392 1.00 0.00 C ATOM 1541 NE ARG A 101 -15.001 4.657 5.818 1.00 0.00 N ATOM 1542 CZ ARG A 101 -15.290 4.857 4.534 1.00 0.00 C ATOM 1543 NH1 ARG A 101 -14.346 5.248 3.688 1.00 0.00 N ATOM 1544 NH2 ARG A 101 -16.526 4.663 4.094 1.00 0.00 N ATOM 0 H ARG A 101 -14.507 1.657 8.087 1.00 0.00 H new ATOM 0 HA ARG A 101 -12.443 1.222 7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.858 4.148 7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.893 3.082 6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -12.092 3.929 5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.342 2.815 5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -13.755 4.973 7.471 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.231 5.761 5.997 1.00 0.00 H new ATOM 0 HE ARG A 101 -15.753 4.355 6.438 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.393 5.397 4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.573 5.400 2.705 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -17.256 4.360 4.739 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.747 4.816 3.110 1.00 0.00 H new ATOM 1558 N ASN A 102 -11.154 2.795 10.001 1.00 0.00 N ATOM 1559 CA ASN A 102 -10.294 2.622 11.176 1.00 0.00 C ATOM 1560 C ASN A 102 -9.134 1.669 10.875 1.00 0.00 C ATOM 1561 O ASN A 102 -8.633 0.979 11.761 1.00 0.00 O ATOM 1562 CB ASN A 102 -11.110 2.106 12.367 1.00 0.00 C ATOM 1563 CG ASN A 102 -11.485 0.642 12.237 1.00 0.00 C ATOM 1564 OD1 ASN A 102 -12.497 0.300 11.624 1.00 0.00 O ATOM 1565 ND2 ASN A 102 -10.670 -0.232 12.817 1.00 0.00 N ATOM 0 H ASN A 102 -11.401 3.765 9.802 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.876 3.596 11.432 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.536 2.249 13.283 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -12.018 2.701 12.464 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.872 -1.230 12.764 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.842 0.095 13.315 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.732 1.635 9.611 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.651 0.770 9.159 1.00 0.00 C ATOM 1574 C GLN A 103 -6.280 1.344 9.485 1.00 0.00 C ATOM 1575 O GLN A 103 -6.164 2.409 10.089 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.768 0.571 7.650 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.042 -0.136 7.234 1.00 0.00 C ATOM 1578 CD GLN A 103 -8.876 -1.641 7.137 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -7.837 -2.080 6.437 1.00 0.00 O flip ATOM 1580 NE2 GLN A 103 -9.675 -2.400 7.685 1.00 0.00 N flip ATOM 0 H GLN A 103 -9.145 2.205 8.873 1.00 0.00 H new ATOM 0 HA GLN A 103 -7.744 -0.181 9.684 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.723 1.543 7.158 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.911 -0.004 7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.830 0.092 7.952 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.368 0.252 6.269 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.460 -2.019 8.213 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.552 -3.410 7.611 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.242 0.631 9.054 1.00 0.00 N ATOM 1590 CA TYR A 104 -3.872 1.070 9.267 1.00 0.00 C ATOM 1591 C TYR A 104 -3.466 1.990 8.128 1.00 0.00 C ATOM 1592 O TYR A 104 -3.068 1.531 7.057 1.00 0.00 O ATOM 1593 CB TYR A 104 -2.927 -0.135 9.328 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.709 0.072 10.203 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.807 0.735 11.420 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.461 -0.402 9.814 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.699 0.917 12.227 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.652 -0.222 10.614 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.527 0.437 11.819 1.00 0.00 C ATOM 1600 OH TYR A 104 1.633 0.617 12.618 1.00 0.00 O ATOM 0 H TYR A 104 -5.328 -0.254 8.555 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.808 1.604 10.215 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.481 -0.998 9.696 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.597 -0.375 8.317 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.766 1.115 11.741 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.360 -0.919 8.871 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.794 1.432 13.171 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.614 -0.596 10.297 1.00 0.00 H new ATOM 0 HH TYR A 104 2.222 1.289 12.215 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.590 3.289 8.352 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.255 4.270 7.333 1.00 0.00 C ATOM 1612 C TRP A 105 -1.928 4.950 7.637 1.00 0.00 C ATOM 1613 O TRP A 105 -1.673 5.358 8.771 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.368 5.315 7.221 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.752 4.734 7.271 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.487 4.451 8.388 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.565 4.354 6.158 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.709 3.950 8.033 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.778 3.873 6.672 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.395 4.376 4.776 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.802 3.422 5.855 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.421 3.917 3.973 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.608 3.449 4.520 1.00 0.00 C ATOM 0 H TRP A 105 -3.920 3.688 9.231 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.157 3.747 6.382 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.258 6.038 8.030 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.247 5.862 6.286 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.151 4.601 9.404 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.449 3.678 8.680 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.478 4.745 4.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.729 3.059 6.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.297 3.922 2.900 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.392 3.100 3.864 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.088 5.071 6.616 1.00 0.00 N ATOM 1635 CA VAL A 106 0.215 5.705 6.770 1.00 0.00 C ATOM 1636 C VAL A 106 0.108 7.220 6.640 1.00 0.00 C ATOM 1637 O VAL A 106 -0.989 7.759 6.896 1.00 0.00 O ATOM 1638 CB VAL A 106 1.216 5.180 5.726 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.627 3.753 6.052 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.623 5.268 4.326 1.00 0.00 C ATOM 1641 OXT VAL A 106 1.123 7.854 6.283 1.00 0.00 O ATOM 0 H VAL A 106 -1.286 4.738 5.672 1.00 0.00 H new ATOM 0 HA VAL A 106 0.575 5.455 7.768 1.00 0.00 H new ATOM 0 HB VAL A 106 2.108 5.806 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.335 3.398 5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.095 3.725 7.036 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.746 3.111 6.051 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.345 4.892 3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.286 4.668 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.385 6.307 4.096 1.00 0.00 H new TER 1651 VAL A 106