USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 773 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 90 THR OG1 : rot -96:sc= 0.248! USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -150:sc= -0.0921 USER MOD Single : A 12 ASN : amide:sc= -0.589 X(o=-0.59,f=-0.39) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -150:sc= -0.231 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.943 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -6.52! C(o=-6.5!,f=-4.8!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 170:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.4) USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= -0.033 (180deg=-0.104) USER MOD Single : A 47 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.28) USER MOD Single : A 49 CYS SG : rot -2:sc= -0.197 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.42) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.7 X(o=-0.7,f=-1) USER MOD Single : A 73 HIS : no HD1:sc= -0.62 K(o=-0.62,f=-1.5) USER MOD Single : A 76 SER OG : rot 34:sc= 0.622 USER MOD Single : A 79 LYS NZ :NH3+ 160:sc= -0.111 (180deg=-0.532) USER MOD Single : A 80 LYS NZ :NH3+ -142:sc= -0.0675 (180deg=-0.903) USER MOD Single : A 84 TYR OH : rot -86:sc= 0.189 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 0.773 -4.916 -7.200 1.00 0.00 N ATOM 63 CA GLU A 5 1.012 -3.607 -7.784 1.00 0.00 C ATOM 64 C GLU A 5 -0.241 -3.088 -8.468 1.00 0.00 C ATOM 65 O GLU A 5 -0.399 -1.884 -8.665 1.00 0.00 O ATOM 66 CB GLU A 5 2.167 -3.691 -8.779 1.00 0.00 C ATOM 67 CG GLU A 5 3.533 -3.498 -8.142 1.00 0.00 C ATOM 68 CD GLU A 5 4.459 -2.650 -8.992 1.00 0.00 C ATOM 69 OE1 GLU A 5 4.491 -2.858 -10.223 1.00 0.00 O ATOM 70 OE2 GLU A 5 5.152 -1.778 -8.426 1.00 0.00 O ATOM 0 HA GLU A 5 1.276 -2.910 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.140 -4.662 -9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.026 -2.936 -9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.411 -3.029 -7.166 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.992 -4.472 -7.973 1.00 0.00 H new ATOM 77 N SER A 6 -1.132 -4.000 -8.828 1.00 0.00 N ATOM 78 CA SER A 6 -2.371 -3.629 -9.493 1.00 0.00 C ATOM 79 C SER A 6 -3.407 -4.728 -9.374 1.00 0.00 C ATOM 80 O SER A 6 -3.178 -5.860 -9.798 1.00 0.00 O ATOM 81 CB SER A 6 -2.116 -3.337 -10.966 1.00 0.00 C ATOM 82 OG SER A 6 -3.323 -3.040 -11.646 1.00 0.00 O ATOM 0 H SER A 6 -1.020 -5.002 -8.671 1.00 0.00 H new ATOM 0 HA SER A 6 -2.752 -2.733 -9.003 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.427 -2.497 -11.059 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.635 -4.197 -11.432 1.00 0.00 H new ATOM 0 HG SER A 6 -3.248 -3.319 -12.583 1.00 0.00 H new ATOM 88 N ILE A 7 -4.552 -4.387 -8.808 1.00 0.00 N ATOM 89 CA ILE A 7 -5.621 -5.350 -8.655 1.00 0.00 C ATOM 90 C ILE A 7 -6.909 -4.670 -8.202 1.00 0.00 C ATOM 91 O ILE A 7 -6.879 -3.574 -7.641 1.00 0.00 O ATOM 92 CB ILE A 7 -5.241 -6.457 -7.650 1.00 0.00 C ATOM 93 CG1 ILE A 7 -6.351 -7.507 -7.562 1.00 0.00 C ATOM 94 CG2 ILE A 7 -4.960 -5.857 -6.279 1.00 0.00 C ATOM 95 CD1 ILE A 7 -5.889 -8.829 -6.990 1.00 0.00 C ATOM 0 H ILE A 7 -4.762 -3.455 -8.450 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.784 -5.806 -9.631 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.334 -6.947 -8.003 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -7.161 -7.117 -6.945 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -6.761 -7.675 -8.558 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.693 -6.651 -5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.135 -5.148 -6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.850 -5.341 -5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.728 -9.524 -6.957 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.100 -9.242 -7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.506 -8.675 -5.981 1.00 0.00 H new ATOM 107 N ARG A 8 -8.039 -5.324 -8.446 1.00 0.00 N ATOM 108 CA ARG A 8 -9.334 -4.777 -8.058 1.00 0.00 C ATOM 109 C ARG A 8 -9.742 -5.281 -6.677 1.00 0.00 C ATOM 110 O ARG A 8 -9.907 -6.483 -6.469 1.00 0.00 O ATOM 111 CB ARG A 8 -10.400 -5.153 -9.089 1.00 0.00 C ATOM 112 CG ARG A 8 -10.058 -4.715 -10.504 1.00 0.00 C ATOM 113 CD ARG A 8 -10.652 -5.658 -11.538 1.00 0.00 C ATOM 114 NE ARG A 8 -9.663 -6.606 -12.045 1.00 0.00 N ATOM 115 CZ ARG A 8 -9.803 -7.288 -13.180 1.00 0.00 C ATOM 116 NH1 ARG A 8 -10.888 -7.128 -13.928 1.00 0.00 N ATOM 117 NH2 ARG A 8 -8.856 -8.130 -13.568 1.00 0.00 N ATOM 0 H ARG A 8 -8.085 -6.231 -8.910 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.247 -3.691 -8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.541 -6.234 -9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -11.350 -4.704 -8.798 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.432 -3.705 -10.674 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.975 -4.678 -10.623 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.484 -6.205 -11.095 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.057 -5.078 -12.367 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.815 -6.754 -11.497 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.619 -6.480 -13.634 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.991 -7.653 -14.797 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.020 -8.256 -12.997 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.963 -8.653 -14.437 1.00 0.00 H new ATOM 131 N PHE A 9 -9.900 -4.355 -5.736 1.00 0.00 N ATOM 132 CA PHE A 9 -10.285 -4.710 -4.375 1.00 0.00 C ATOM 133 C PHE A 9 -11.734 -4.323 -4.098 1.00 0.00 C ATOM 134 O PHE A 9 -12.018 -3.206 -3.665 1.00 0.00 O ATOM 135 CB PHE A 9 -9.359 -4.028 -3.366 1.00 0.00 C ATOM 136 CG PHE A 9 -9.434 -4.618 -1.986 1.00 0.00 C ATOM 137 CD1 PHE A 9 -10.595 -4.517 -1.237 1.00 0.00 C ATOM 138 CD2 PHE A 9 -8.342 -5.272 -1.438 1.00 0.00 C ATOM 139 CE1 PHE A 9 -10.667 -5.058 0.033 1.00 0.00 C ATOM 140 CE2 PHE A 9 -8.407 -5.815 -0.169 1.00 0.00 C ATOM 141 CZ PHE A 9 -9.571 -5.708 0.568 1.00 0.00 C ATOM 0 H PHE A 9 -9.768 -3.356 -5.891 1.00 0.00 H new ATOM 0 HA PHE A 9 -10.192 -5.791 -4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.332 -4.095 -3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.610 -2.969 -3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -11.454 -4.010 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.430 -5.358 -2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.578 -4.973 0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.549 -6.323 0.246 1.00 0.00 H new ATOM 0 HZ PHE A 9 -9.624 -6.131 1.560 1.00 0.00 H new ATOM 151 N GLY A 10 -12.648 -5.256 -4.349 1.00 0.00 N ATOM 152 CA GLY A 10 -14.059 -4.999 -4.120 1.00 0.00 C ATOM 153 C GLY A 10 -14.551 -3.750 -4.833 1.00 0.00 C ATOM 154 O GLY A 10 -14.483 -3.671 -6.060 1.00 0.00 O ATOM 0 H GLY A 10 -12.436 -6.187 -4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.640 -5.857 -4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.236 -4.895 -3.050 1.00 0.00 H new ATOM 158 N PRO A 11 -15.056 -2.749 -4.089 1.00 0.00 N ATOM 159 CA PRO A 11 -15.558 -1.504 -4.681 1.00 0.00 C ATOM 160 C PRO A 11 -14.440 -0.655 -5.278 1.00 0.00 C ATOM 161 O PRO A 11 -14.562 -0.142 -6.390 1.00 0.00 O ATOM 162 CB PRO A 11 -16.205 -0.780 -3.499 1.00 0.00 C ATOM 163 CG PRO A 11 -15.508 -1.318 -2.298 1.00 0.00 C ATOM 164 CD PRO A 11 -15.180 -2.749 -2.619 1.00 0.00 C ATOM 0 HA PRO A 11 -16.244 -1.695 -5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.079 0.300 -3.579 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -17.277 -0.974 -3.455 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.604 -0.749 -2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.144 -1.252 -1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.255 -3.067 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.964 -3.427 -2.282 1.00 0.00 H new ATOM 172 N ASN A 12 -13.349 -0.513 -4.531 1.00 0.00 N ATOM 173 CA ASN A 12 -12.209 0.273 -4.987 1.00 0.00 C ATOM 174 C ASN A 12 -11.227 -0.598 -5.764 1.00 0.00 C ATOM 175 O ASN A 12 -11.305 -1.825 -5.722 1.00 0.00 O ATOM 176 CB ASN A 12 -11.501 0.919 -3.797 1.00 0.00 C ATOM 177 CG ASN A 12 -12.190 2.188 -3.332 1.00 0.00 C ATOM 178 OD1 ASN A 12 -13.406 2.214 -3.145 1.00 0.00 O ATOM 179 ND2 ASN A 12 -11.413 3.248 -3.145 1.00 0.00 N ATOM 0 H ASN A 12 -13.231 -0.932 -3.608 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.579 1.055 -5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.461 0.208 -2.972 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.471 1.148 -4.071 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -11.820 4.130 -2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -10.409 3.180 -3.312 1.00 0.00 H new ATOM 186 N VAL A 13 -10.303 0.043 -6.474 1.00 0.00 N ATOM 187 CA VAL A 13 -9.308 -0.678 -7.259 1.00 0.00 C ATOM 188 C VAL A 13 -8.054 0.165 -7.478 1.00 0.00 C ATOM 189 O VAL A 13 -8.139 1.333 -7.855 1.00 0.00 O ATOM 190 CB VAL A 13 -9.876 -1.101 -8.629 1.00 0.00 C ATOM 191 CG1 VAL A 13 -11.101 -1.985 -8.452 1.00 0.00 C ATOM 192 CG2 VAL A 13 -10.213 0.120 -9.473 1.00 0.00 C ATOM 0 H VAL A 13 -10.223 1.059 -6.521 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.043 -1.569 -6.690 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.112 -1.676 -9.152 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.487 -2.273 -9.430 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.826 -2.879 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.869 -1.437 -7.906 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.612 -0.202 -10.435 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.957 0.726 -8.956 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.312 0.711 -9.634 1.00 0.00 H new ATOM 202 N PHE A 14 -6.891 -0.438 -7.246 1.00 0.00 N ATOM 203 CA PHE A 14 -5.620 0.255 -7.428 1.00 0.00 C ATOM 204 C PHE A 14 -5.014 -0.094 -8.782 1.00 0.00 C ATOM 205 O PHE A 14 -5.178 -1.212 -9.271 1.00 0.00 O ATOM 206 CB PHE A 14 -4.641 -0.113 -6.309 1.00 0.00 C ATOM 207 CG PHE A 14 -5.284 -0.240 -4.957 1.00 0.00 C ATOM 208 CD1 PHE A 14 -6.065 0.785 -4.447 1.00 0.00 C ATOM 209 CD2 PHE A 14 -5.106 -1.384 -4.197 1.00 0.00 C ATOM 210 CE1 PHE A 14 -6.657 0.670 -3.204 1.00 0.00 C ATOM 211 CE2 PHE A 14 -5.695 -1.505 -2.953 1.00 0.00 C ATOM 212 CZ PHE A 14 -6.471 -0.477 -2.456 1.00 0.00 C ATOM 0 H PHE A 14 -6.803 -1.404 -6.932 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.808 1.328 -7.390 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.155 -1.056 -6.560 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.859 0.645 -6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.212 1.684 -5.028 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.500 -2.191 -4.581 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.264 1.475 -2.818 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.549 -2.402 -2.370 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.932 -0.569 -1.484 1.00 0.00 H new ATOM 222 N TYR A 15 -4.320 0.862 -9.390 1.00 0.00 N ATOM 223 CA TYR A 15 -3.705 0.634 -10.693 1.00 0.00 C ATOM 224 C TYR A 15 -2.183 0.713 -10.622 1.00 0.00 C ATOM 225 O TYR A 15 -1.618 1.635 -10.033 1.00 0.00 O ATOM 226 CB TYR A 15 -4.230 1.637 -11.717 1.00 0.00 C ATOM 227 CG TYR A 15 -5.671 1.404 -12.112 1.00 0.00 C ATOM 228 CD1 TYR A 15 -6.135 0.127 -12.400 1.00 0.00 C ATOM 229 CD2 TYR A 15 -6.567 2.462 -12.197 1.00 0.00 C ATOM 230 CE1 TYR A 15 -7.451 -0.090 -12.761 1.00 0.00 C ATOM 231 CE2 TYR A 15 -7.885 2.254 -12.557 1.00 0.00 C ATOM 232 CZ TYR A 15 -8.321 0.976 -12.838 1.00 0.00 C ATOM 233 OH TYR A 15 -9.632 0.765 -13.198 1.00 0.00 O ATOM 0 H TYR A 15 -4.170 1.795 -9.006 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.975 -0.374 -11.006 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.132 2.643 -11.310 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.606 1.592 -12.610 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.456 -0.711 -12.341 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.228 3.464 -11.978 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.796 -1.089 -12.982 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.569 3.087 -12.618 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.111 1.620 -13.203 1.00 0.00 H new ATOM 243 N VAL A 16 -1.535 -0.271 -11.235 1.00 0.00 N ATOM 244 CA VAL A 16 -0.075 -0.356 -11.270 1.00 0.00 C ATOM 245 C VAL A 16 0.566 0.992 -11.601 1.00 0.00 C ATOM 246 O VAL A 16 1.302 1.552 -10.790 1.00 0.00 O ATOM 247 CB VAL A 16 0.413 -1.411 -12.299 1.00 0.00 C ATOM 248 CG1 VAL A 16 0.762 -2.721 -11.612 1.00 0.00 C ATOM 249 CG2 VAL A 16 -0.628 -1.642 -13.390 1.00 0.00 C ATOM 0 H VAL A 16 -2.005 -1.034 -11.723 1.00 0.00 H new ATOM 0 HA VAL A 16 0.234 -0.660 -10.270 1.00 0.00 H new ATOM 0 HB VAL A 16 1.315 -1.019 -12.769 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.101 -3.443 -12.355 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.555 -2.550 -10.884 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.119 -3.111 -11.103 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.257 -2.386 -14.095 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.554 -1.999 -12.940 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.818 -0.706 -13.916 1.00 0.00 H new ATOM 259 N LEU A 17 0.295 1.503 -12.800 1.00 0.00 N ATOM 260 CA LEU A 17 0.866 2.778 -13.230 1.00 0.00 C ATOM 261 C LEU A 17 -0.214 3.813 -13.550 1.00 0.00 C ATOM 262 O LEU A 17 0.079 5.003 -13.666 1.00 0.00 O ATOM 263 CB LEU A 17 1.756 2.569 -14.458 1.00 0.00 C ATOM 264 CG LEU A 17 3.125 1.945 -14.174 1.00 0.00 C ATOM 265 CD1 LEU A 17 3.835 2.694 -13.056 1.00 0.00 C ATOM 266 CD2 LEU A 17 2.977 0.473 -13.821 1.00 0.00 C ATOM 0 H LEU A 17 -0.313 1.057 -13.488 1.00 0.00 H new ATOM 0 HA LEU A 17 1.461 3.162 -12.402 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.225 1.934 -15.167 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.908 3.532 -14.945 1.00 0.00 H new ATOM 0 HG LEU A 17 3.731 2.024 -15.077 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.806 2.235 -12.870 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.976 3.735 -13.348 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.233 2.650 -12.149 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.960 0.046 -13.622 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.352 0.373 -12.934 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.513 -0.056 -14.654 1.00 0.00 H new ATOM 278 N LYS A 18 -1.457 3.364 -13.700 1.00 0.00 N ATOM 279 CA LYS A 18 -2.558 4.271 -14.016 1.00 0.00 C ATOM 280 C LYS A 18 -2.676 5.386 -12.980 1.00 0.00 C ATOM 281 O LYS A 18 -2.902 6.545 -13.328 1.00 0.00 O ATOM 282 CB LYS A 18 -3.878 3.504 -14.104 1.00 0.00 C ATOM 283 CG LYS A 18 -4.811 4.020 -15.185 1.00 0.00 C ATOM 284 CD LYS A 18 -5.842 2.974 -15.576 1.00 0.00 C ATOM 285 CE LYS A 18 -6.914 3.559 -16.480 1.00 0.00 C ATOM 286 NZ LYS A 18 -7.937 2.546 -16.857 1.00 0.00 N ATOM 0 H LYS A 18 -1.727 2.385 -13.609 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.342 4.724 -14.984 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.665 2.452 -14.292 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.386 3.560 -13.141 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.318 4.918 -14.832 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.231 4.306 -16.062 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.347 2.147 -16.085 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.305 2.565 -14.678 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.399 4.394 -15.974 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.450 3.959 -17.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.650 2.985 -17.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.479 1.761 -17.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.398 2.183 -15.999 1.00 0.00 H new ATOM 300 N LEU A 19 -2.526 5.032 -11.706 1.00 0.00 N ATOM 301 CA LEU A 19 -2.621 6.008 -10.629 1.00 0.00 C ATOM 302 C LEU A 19 -4.028 6.594 -10.560 1.00 0.00 C ATOM 303 O LEU A 19 -4.213 7.811 -10.602 1.00 0.00 O ATOM 304 CB LEU A 19 -1.584 7.117 -10.826 1.00 0.00 C ATOM 305 CG LEU A 19 -0.431 7.100 -9.823 1.00 0.00 C ATOM 306 CD1 LEU A 19 -0.935 7.441 -8.428 1.00 0.00 C ATOM 307 CD2 LEU A 19 0.258 5.743 -9.830 1.00 0.00 C ATOM 0 H LEU A 19 -2.339 4.078 -11.397 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.415 5.505 -9.684 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.173 7.037 -11.832 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.088 8.082 -10.763 1.00 0.00 H new ATOM 0 HG LEU A 19 0.297 7.856 -10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.101 7.425 -7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.383 8.435 -8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.682 6.708 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.077 5.747 -9.111 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.460 4.969 -9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.651 5.540 -10.826 1.00 0.00 H new ATOM 319 N THR A 20 -5.018 5.715 -10.457 1.00 0.00 N ATOM 320 CA THR A 20 -6.411 6.138 -10.385 1.00 0.00 C ATOM 321 C THR A 20 -7.251 5.107 -9.639 1.00 0.00 C ATOM 322 O THR A 20 -7.478 4.002 -10.133 1.00 0.00 O ATOM 323 CB THR A 20 -6.973 6.357 -11.793 1.00 0.00 C ATOM 324 OG1 THR A 20 -6.039 5.951 -12.778 1.00 0.00 O ATOM 325 CG2 THR A 20 -7.337 7.799 -12.073 1.00 0.00 C ATOM 0 H THR A 20 -4.882 4.705 -10.421 1.00 0.00 H new ATOM 0 HA THR A 20 -6.454 7.079 -9.837 1.00 0.00 H new ATOM 0 HB THR A 20 -7.879 5.753 -11.838 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.160 6.492 -13.586 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.729 7.885 -13.087 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.095 8.128 -11.362 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.450 8.424 -11.972 1.00 0.00 H new ATOM 333 N VAL A 21 -7.711 5.474 -8.449 1.00 0.00 N ATOM 334 CA VAL A 21 -8.527 4.580 -7.640 1.00 0.00 C ATOM 335 C VAL A 21 -10.007 4.764 -7.951 1.00 0.00 C ATOM 336 O VAL A 21 -10.591 5.804 -7.647 1.00 0.00 O ATOM 337 CB VAL A 21 -8.295 4.809 -6.134 1.00 0.00 C ATOM 338 CG1 VAL A 21 -9.036 3.766 -5.312 1.00 0.00 C ATOM 339 CG2 VAL A 21 -6.808 4.791 -5.814 1.00 0.00 C ATOM 0 H VAL A 21 -7.533 6.384 -8.024 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.227 3.562 -7.891 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.689 5.791 -5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.859 3.946 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.104 3.832 -5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.676 2.772 -5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.664 4.954 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.387 3.825 -6.093 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.306 5.581 -6.373 1.00 0.00 H new ATOM 349 N GLU A 22 -10.610 3.747 -8.558 1.00 0.00 N ATOM 350 CA GLU A 22 -12.023 3.800 -8.908 1.00 0.00 C ATOM 351 C GLU A 22 -12.886 3.749 -7.654 1.00 0.00 C ATOM 352 O GLU A 22 -12.665 2.922 -6.771 1.00 0.00 O ATOM 353 CB GLU A 22 -12.384 2.640 -9.839 1.00 0.00 C ATOM 354 CG GLU A 22 -13.521 2.960 -10.796 1.00 0.00 C ATOM 355 CD GLU A 22 -13.052 3.112 -12.230 1.00 0.00 C ATOM 356 OE1 GLU A 22 -12.388 4.125 -12.533 1.00 0.00 O ATOM 357 OE2 GLU A 22 -13.349 2.217 -13.050 1.00 0.00 O ATOM 0 H GLU A 22 -10.142 2.878 -8.817 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.213 4.740 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.503 2.360 -10.416 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.659 1.774 -9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.268 2.168 -10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.010 3.881 -10.478 1.00 0.00 H new ATOM 364 N THR A 23 -13.867 4.640 -7.578 1.00 0.00 N ATOM 365 CA THR A 23 -14.757 4.695 -6.427 1.00 0.00 C ATOM 366 C THR A 23 -16.217 4.750 -6.870 1.00 0.00 C ATOM 367 O THR A 23 -16.533 5.292 -7.929 1.00 0.00 O ATOM 368 CB THR A 23 -14.429 5.910 -5.557 1.00 0.00 C ATOM 369 OG1 THR A 23 -15.476 6.169 -4.639 1.00 0.00 O ATOM 370 CG2 THR A 23 -14.197 7.176 -6.355 1.00 0.00 C ATOM 0 H THR A 23 -14.066 5.333 -8.299 1.00 0.00 H new ATOM 0 HA THR A 23 -14.607 3.788 -5.841 1.00 0.00 H new ATOM 0 HB THR A 23 -13.505 5.651 -5.040 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.246 6.948 -4.091 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.969 7.998 -5.676 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.361 7.027 -7.038 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.094 7.415 -6.926 1.00 0.00 H new ATOM 378 N PRO A 24 -17.129 4.187 -6.060 1.00 0.00 N ATOM 379 CA PRO A 24 -18.560 4.174 -6.370 1.00 0.00 C ATOM 380 C PRO A 24 -19.138 5.580 -6.497 1.00 0.00 C ATOM 381 O PRO A 24 -20.212 5.770 -7.069 1.00 0.00 O ATOM 382 CB PRO A 24 -19.183 3.439 -5.177 1.00 0.00 C ATOM 383 CG PRO A 24 -18.169 3.518 -4.093 1.00 0.00 C ATOM 384 CD PRO A 24 -16.839 3.523 -4.781 1.00 0.00 C ATOM 0 HA PRO A 24 -18.763 3.697 -7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -20.120 3.906 -4.873 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.410 2.403 -5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.304 4.420 -3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.255 2.670 -3.414 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.089 4.066 -4.206 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.457 2.513 -4.928 1.00 0.00 H new ATOM 392 N GLU A 25 -18.419 6.564 -5.965 1.00 0.00 N ATOM 393 CA GLU A 25 -18.861 7.952 -6.025 1.00 0.00 C ATOM 394 C GLU A 25 -18.379 8.617 -7.311 1.00 0.00 C ATOM 395 O GLU A 25 -19.025 9.527 -7.831 1.00 0.00 O ATOM 396 CB GLU A 25 -18.344 8.728 -4.812 1.00 0.00 C ATOM 397 CG GLU A 25 -19.310 9.791 -4.313 1.00 0.00 C ATOM 398 CD GLU A 25 -18.615 11.092 -3.961 1.00 0.00 C ATOM 399 OE1 GLU A 25 -17.594 11.045 -3.243 1.00 0.00 O ATOM 400 OE2 GLU A 25 -19.093 12.158 -4.404 1.00 0.00 O ATOM 0 H GLU A 25 -17.528 6.425 -5.488 1.00 0.00 H new ATOM 0 HA GLU A 25 -19.951 7.962 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -18.139 8.027 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -17.397 9.202 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -20.062 9.981 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -19.836 9.415 -3.435 1.00 0.00 H new ATOM 407 N GLY A 26 -17.240 8.156 -7.819 1.00 0.00 N ATOM 408 CA GLY A 26 -16.691 8.716 -9.040 1.00 0.00 C ATOM 409 C GLY A 26 -15.357 8.098 -9.413 1.00 0.00 C ATOM 410 O GLY A 26 -15.308 7.028 -10.020 1.00 0.00 O ATOM 0 H GLY A 26 -16.688 7.404 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -17.398 8.565 -9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.568 9.792 -8.919 1.00 0.00 H new ATOM 414 N SER A 27 -14.272 8.774 -9.049 1.00 0.00 N ATOM 415 CA SER A 27 -12.929 8.288 -9.346 1.00 0.00 C ATOM 416 C SER A 27 -11.889 9.041 -8.522 1.00 0.00 C ATOM 417 O SER A 27 -12.205 10.034 -7.867 1.00 0.00 O ATOM 418 CB SER A 27 -12.626 8.441 -10.838 1.00 0.00 C ATOM 419 OG SER A 27 -11.894 7.329 -11.326 1.00 0.00 O ATOM 0 H SER A 27 -14.297 9.662 -8.547 1.00 0.00 H new ATOM 0 HA SER A 27 -12.882 7.231 -9.082 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.559 8.539 -11.394 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.058 9.356 -11.005 1.00 0.00 H new ATOM 0 HG SER A 27 -11.714 7.450 -12.282 1.00 0.00 H new ATOM 425 N VAL A 28 -10.650 8.559 -8.549 1.00 0.00 N ATOM 426 CA VAL A 28 -9.574 9.189 -7.793 1.00 0.00 C ATOM 427 C VAL A 28 -8.342 9.435 -8.661 1.00 0.00 C ATOM 428 O VAL A 28 -8.028 8.647 -9.553 1.00 0.00 O ATOM 429 CB VAL A 28 -9.170 8.329 -6.582 1.00 0.00 C ATOM 430 CG1 VAL A 28 -8.183 9.074 -5.699 1.00 0.00 C ATOM 431 CG2 VAL A 28 -10.399 7.915 -5.787 1.00 0.00 C ATOM 0 H VAL A 28 -10.368 7.738 -9.084 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.957 10.149 -7.446 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.681 7.427 -6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.911 8.448 -4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.289 9.313 -6.274 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.640 9.996 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.094 7.308 -4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.919 8.805 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.067 7.336 -6.425 1.00 0.00 H new ATOM 441 N HIS A 29 -7.645 10.533 -8.381 1.00 0.00 N ATOM 442 CA HIS A 29 -6.438 10.895 -9.118 1.00 0.00 C ATOM 443 C HIS A 29 -5.428 11.560 -8.187 1.00 0.00 C ATOM 444 O HIS A 29 -5.756 12.522 -7.492 1.00 0.00 O ATOM 445 CB HIS A 29 -6.782 11.837 -10.274 1.00 0.00 C ATOM 446 CG HIS A 29 -7.524 11.171 -11.391 1.00 0.00 C ATOM 447 ND1 HIS A 29 -7.004 11.027 -12.660 1.00 0.00 N ATOM 448 CD2 HIS A 29 -8.756 10.610 -11.426 1.00 0.00 C ATOM 449 CE1 HIS A 29 -7.884 10.408 -13.428 1.00 0.00 C ATOM 450 NE2 HIS A 29 -8.954 10.143 -12.702 1.00 0.00 N ATOM 0 H HIS A 29 -7.898 11.191 -7.644 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.997 9.985 -9.525 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.382 12.663 -9.892 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.861 12.267 -10.667 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.453 10.542 -10.604 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.750 10.161 -14.471 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.793 9.668 -13.035 1.00 0.00 H new ATOM 459 N LEU A 30 -4.204 11.040 -8.166 1.00 0.00 N ATOM 460 CA LEU A 30 -3.161 11.589 -7.304 1.00 0.00 C ATOM 461 C LEU A 30 -1.773 11.109 -7.723 1.00 0.00 C ATOM 462 O LEU A 30 -1.638 10.230 -8.574 1.00 0.00 O ATOM 463 CB LEU A 30 -3.429 11.235 -5.833 1.00 0.00 C ATOM 464 CG LEU A 30 -3.573 9.740 -5.503 1.00 0.00 C ATOM 465 CD1 LEU A 30 -4.660 9.090 -6.343 1.00 0.00 C ATOM 466 CD2 LEU A 30 -2.250 9.016 -5.689 1.00 0.00 C ATOM 0 H LEU A 30 -3.911 10.244 -8.732 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.185 12.673 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.616 11.641 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.341 11.743 -5.520 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.866 9.660 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.736 8.034 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.613 9.581 -6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.411 9.189 -7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.376 7.960 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.922 9.117 -6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.501 9.451 -5.027 1.00 0.00 H new ATOM 478 N THR A 31 -0.745 11.703 -7.119 1.00 0.00 N ATOM 479 CA THR A 31 0.639 11.354 -7.421 1.00 0.00 C ATOM 480 C THR A 31 0.977 9.953 -6.911 1.00 0.00 C ATOM 481 O THR A 31 0.585 9.570 -5.810 1.00 0.00 O ATOM 482 CB THR A 31 1.588 12.379 -6.796 1.00 0.00 C ATOM 483 OG1 THR A 31 1.010 13.672 -6.811 1.00 0.00 O ATOM 484 CG2 THR A 31 2.926 12.466 -7.499 1.00 0.00 C ATOM 0 H THR A 31 -0.848 12.433 -6.414 1.00 0.00 H new ATOM 0 HA THR A 31 0.762 11.362 -8.504 1.00 0.00 H new ATOM 0 HB THR A 31 1.755 12.032 -5.776 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.631 14.313 -6.406 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.549 13.211 -7.004 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.421 11.496 -7.460 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.773 12.754 -8.539 1.00 0.00 H new ATOM 492 N PRO A 32 1.712 9.167 -7.715 1.00 0.00 N ATOM 493 CA PRO A 32 2.100 7.797 -7.357 1.00 0.00 C ATOM 494 C PRO A 32 2.861 7.707 -6.037 1.00 0.00 C ATOM 495 O PRO A 32 3.023 6.619 -5.485 1.00 0.00 O ATOM 496 CB PRO A 32 2.993 7.345 -8.522 1.00 0.00 C ATOM 497 CG PRO A 32 3.344 8.588 -9.268 1.00 0.00 C ATOM 498 CD PRO A 32 2.214 9.550 -9.041 1.00 0.00 C ATOM 0 HA PRO A 32 1.220 7.171 -7.209 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.888 6.842 -8.157 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.469 6.637 -9.165 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.286 9.003 -8.910 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.471 8.381 -10.331 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.556 10.585 -9.059 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.444 9.455 -9.806 1.00 0.00 H new ATOM 506 N SER A 33 3.331 8.841 -5.536 1.00 0.00 N ATOM 507 CA SER A 33 4.076 8.859 -4.283 1.00 0.00 C ATOM 508 C SER A 33 3.167 8.592 -3.094 1.00 0.00 C ATOM 509 O SER A 33 3.583 7.987 -2.106 1.00 0.00 O ATOM 510 CB SER A 33 4.800 10.194 -4.106 1.00 0.00 C ATOM 511 OG SER A 33 5.863 10.079 -3.175 1.00 0.00 O ATOM 0 H SER A 33 3.211 9.755 -5.973 1.00 0.00 H new ATOM 0 HA SER A 33 4.817 8.060 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.189 10.530 -5.067 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.094 10.951 -3.765 1.00 0.00 H new ATOM 0 HG SER A 33 6.311 10.946 -3.081 1.00 0.00 H new ATOM 517 N GLU A 34 1.923 9.030 -3.197 1.00 0.00 N ATOM 518 CA GLU A 34 0.960 8.817 -2.125 1.00 0.00 C ATOM 519 C GLU A 34 0.380 7.425 -2.223 1.00 0.00 C ATOM 520 O GLU A 34 0.349 6.681 -1.247 1.00 0.00 O ATOM 521 CB GLU A 34 -0.151 9.869 -2.169 1.00 0.00 C ATOM 522 CG GLU A 34 0.279 11.229 -1.645 1.00 0.00 C ATOM 523 CD GLU A 34 1.007 12.052 -2.690 1.00 0.00 C ATOM 524 OE1 GLU A 34 2.209 11.800 -2.912 1.00 0.00 O ATOM 525 OE2 GLU A 34 0.374 12.950 -3.285 1.00 0.00 O ATOM 0 H GLU A 34 1.556 9.532 -4.006 1.00 0.00 H new ATOM 0 HA GLU A 34 1.476 8.918 -1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.497 9.978 -3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.999 9.515 -1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.599 11.777 -1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.927 11.093 -0.779 1.00 0.00 H new ATOM 532 N SER A 35 -0.038 7.060 -3.415 1.00 0.00 N ATOM 533 CA SER A 35 -0.568 5.729 -3.635 1.00 0.00 C ATOM 534 C SER A 35 0.584 4.726 -3.634 1.00 0.00 C ATOM 535 O SER A 35 0.366 3.514 -3.612 1.00 0.00 O ATOM 536 CB SER A 35 -1.361 5.656 -4.941 1.00 0.00 C ATOM 537 OG SER A 35 -0.531 5.287 -6.029 1.00 0.00 O ATOM 0 H SER A 35 -0.023 7.658 -4.241 1.00 0.00 H new ATOM 0 HA SER A 35 -1.259 5.483 -2.829 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.170 4.933 -4.837 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.821 6.623 -5.144 1.00 0.00 H new ATOM 0 HG SER A 35 -1.086 5.092 -6.812 1.00 0.00 H new ATOM 543 N GLY A 36 1.819 5.244 -3.642 1.00 0.00 N ATOM 544 CA GLY A 36 2.980 4.385 -3.623 1.00 0.00 C ATOM 545 C GLY A 36 3.278 3.863 -2.236 1.00 0.00 C ATOM 546 O GLY A 36 3.792 2.756 -2.081 1.00 0.00 O ATOM 0 H GLY A 36 2.025 6.243 -3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.820 3.545 -4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.844 4.935 -3.996 1.00 0.00 H new ATOM 550 N ILE A 37 2.948 4.656 -1.219 1.00 0.00 N ATOM 551 CA ILE A 37 3.184 4.240 0.162 1.00 0.00 C ATOM 552 C ILE A 37 2.207 3.148 0.562 1.00 0.00 C ATOM 553 O ILE A 37 2.554 2.229 1.304 1.00 0.00 O ATOM 554 CB ILE A 37 3.091 5.424 1.155 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.158 4.927 2.609 1.00 0.00 C ATOM 556 CG2 ILE A 37 1.824 6.230 0.914 1.00 0.00 C ATOM 557 CD1 ILE A 37 1.828 4.474 3.179 1.00 0.00 C ATOM 0 H ILE A 37 2.522 5.577 -1.322 1.00 0.00 H new ATOM 0 HA ILE A 37 4.201 3.851 0.209 1.00 0.00 H new ATOM 0 HB ILE A 37 3.946 6.078 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.864 4.099 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.554 5.726 3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.779 7.057 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.831 6.623 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.953 5.588 1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.968 4.140 4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.122 5.304 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.437 3.651 2.580 1.00 0.00 H new ATOM 569 N LEU A 38 0.993 3.241 0.048 1.00 0.00 N ATOM 570 CA LEU A 38 -0.025 2.243 0.334 1.00 0.00 C ATOM 571 C LEU A 38 0.260 0.973 -0.457 1.00 0.00 C ATOM 572 O LEU A 38 -0.206 -0.111 -0.107 1.00 0.00 O ATOM 573 CB LEU A 38 -1.421 2.774 -0.003 1.00 0.00 C ATOM 574 CG LEU A 38 -1.619 3.216 -1.454 1.00 0.00 C ATOM 575 CD1 LEU A 38 -1.748 2.009 -2.371 1.00 0.00 C ATOM 576 CD2 LEU A 38 -2.846 4.105 -1.569 1.00 0.00 C ATOM 0 H LEU A 38 0.688 3.995 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 38 0.003 2.016 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.152 1.999 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.638 3.619 0.650 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.744 3.787 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.888 2.346 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.843 1.405 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.606 1.410 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.976 4.413 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.727 3.553 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.716 4.987 -0.942 1.00 0.00 H new ATOM 588 N LYS A 39 1.041 1.119 -1.526 1.00 0.00 N ATOM 589 CA LYS A 39 1.405 -0.009 -2.366 1.00 0.00 C ATOM 590 C LYS A 39 2.368 -0.925 -1.633 1.00 0.00 C ATOM 591 O LYS A 39 2.324 -2.144 -1.790 1.00 0.00 O ATOM 592 CB LYS A 39 2.032 0.477 -3.674 1.00 0.00 C ATOM 593 CG LYS A 39 2.383 -0.647 -4.635 1.00 0.00 C ATOM 594 CD LYS A 39 3.309 -0.167 -5.743 1.00 0.00 C ATOM 595 CE LYS A 39 2.568 -0.001 -7.060 1.00 0.00 C ATOM 596 NZ LYS A 39 2.783 1.348 -7.652 1.00 0.00 N ATOM 0 H LYS A 39 1.432 2.012 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 39 0.500 -0.569 -2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.341 1.162 -4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.935 1.044 -3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.861 -1.459 -4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.470 -1.051 -5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.759 0.783 -5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.124 -0.879 -5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.903 -0.764 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.502 -0.161 -6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.261 1.421 -8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.441 2.075 -6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.798 1.492 -7.829 1.00 0.00 H new ATOM 610 N ARG A 40 3.232 -0.330 -0.822 1.00 0.00 N ATOM 611 CA ARG A 40 4.199 -1.102 -0.053 1.00 0.00 C ATOM 612 C ARG A 40 3.491 -1.914 1.018 1.00 0.00 C ATOM 613 O ARG A 40 3.905 -3.025 1.350 1.00 0.00 O ATOM 614 CB ARG A 40 5.249 -0.182 0.576 1.00 0.00 C ATOM 615 CG ARG A 40 6.674 -0.516 0.166 1.00 0.00 C ATOM 616 CD ARG A 40 7.321 0.630 -0.596 1.00 0.00 C ATOM 617 NE ARG A 40 8.318 0.157 -1.554 1.00 0.00 N ATOM 618 CZ ARG A 40 8.017 -0.361 -2.742 1.00 0.00 C ATOM 619 NH1 ARG A 40 6.751 -0.473 -3.123 1.00 0.00 N ATOM 620 NH2 ARG A 40 8.985 -0.767 -3.553 1.00 0.00 N ATOM 0 H ARG A 40 3.284 0.679 -0.680 1.00 0.00 H new ATOM 0 HA ARG A 40 4.710 -1.788 -0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.031 0.849 0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.169 -0.241 1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.265 -0.743 1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.674 -1.412 -0.455 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.552 1.195 -1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.792 1.314 0.110 1.00 0.00 H new ATOM 0 HE ARG A 40 9.302 0.228 -1.297 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.003 -0.161 -2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.526 -0.871 -4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.960 -0.682 -3.266 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.754 -1.164 -4.464 1.00 0.00 H new ATOM 634 N LEU A 41 2.407 -1.360 1.533 1.00 0.00 N ATOM 635 CA LEU A 41 1.616 -2.039 2.547 1.00 0.00 C ATOM 636 C LEU A 41 0.697 -3.059 1.889 1.00 0.00 C ATOM 637 O LEU A 41 0.266 -4.024 2.520 1.00 0.00 O ATOM 638 CB LEU A 41 0.801 -1.031 3.361 1.00 0.00 C ATOM 639 CG LEU A 41 1.607 0.131 3.949 1.00 0.00 C ATOM 640 CD1 LEU A 41 0.746 0.952 4.899 1.00 0.00 C ATOM 641 CD2 LEU A 41 2.851 -0.385 4.662 1.00 0.00 C ATOM 0 H LEU A 41 2.054 -0.441 1.266 1.00 0.00 H new ATOM 0 HA LEU A 41 2.291 -2.558 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.016 -0.623 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.307 -1.560 4.176 1.00 0.00 H new ATOM 0 HG LEU A 41 1.926 0.776 3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.336 1.773 5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.111 1.354 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.396 0.317 5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.410 0.456 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.556 -1.054 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.478 -0.926 3.954 1.00 0.00 H new ATOM 653 N LEU A 42 0.420 -2.847 0.605 1.00 0.00 N ATOM 654 CA LEU A 42 -0.424 -3.756 -0.152 1.00 0.00 C ATOM 655 C LEU A 42 0.326 -5.050 -0.427 1.00 0.00 C ATOM 656 O LEU A 42 -0.270 -6.124 -0.503 1.00 0.00 O ATOM 657 CB LEU A 42 -0.872 -3.109 -1.468 1.00 0.00 C ATOM 658 CG LEU A 42 -2.374 -2.841 -1.584 1.00 0.00 C ATOM 659 CD1 LEU A 42 -3.161 -4.132 -1.436 1.00 0.00 C ATOM 660 CD2 LEU A 42 -2.818 -1.824 -0.543 1.00 0.00 C ATOM 0 H LEU A 42 0.770 -2.052 0.070 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.313 -3.980 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.340 -2.165 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.569 -3.754 -2.293 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.572 -2.429 -2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.227 -3.920 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.866 -4.830 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.956 -4.573 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.889 -1.647 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.604 -2.207 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.280 -0.889 -0.696 1.00 0.00 H new ATOM 672 N ILE A 43 1.644 -4.938 -0.559 1.00 0.00 N ATOM 673 CA ILE A 43 2.483 -6.102 -0.809 1.00 0.00 C ATOM 674 C ILE A 43 2.418 -7.072 0.367 1.00 0.00 C ATOM 675 O ILE A 43 2.637 -8.273 0.206 1.00 0.00 O ATOM 676 CB ILE A 43 3.952 -5.702 -1.061 1.00 0.00 C ATOM 677 CG1 ILE A 43 4.041 -4.715 -2.225 1.00 0.00 C ATOM 678 CG2 ILE A 43 4.799 -6.935 -1.345 1.00 0.00 C ATOM 679 CD1 ILE A 43 5.218 -3.769 -2.126 1.00 0.00 C ATOM 0 H ILE A 43 2.152 -4.055 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 43 2.099 -6.589 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 43 4.338 -5.218 -0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.111 -5.272 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.120 -4.133 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.832 -6.634 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.758 -7.610 -0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.415 -7.445 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.218 -3.098 -2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.139 -3.185 -1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.145 -4.342 -2.113 1.00 0.00 H new ATOM 691 N ASN A 44 2.113 -6.544 1.550 1.00 0.00 N ATOM 692 CA ASN A 44 2.016 -7.366 2.749 1.00 0.00 C ATOM 693 C ASN A 44 0.563 -7.664 3.087 1.00 0.00 C ATOM 694 O ASN A 44 0.178 -8.818 3.277 1.00 0.00 O ATOM 695 CB ASN A 44 2.696 -6.668 3.927 1.00 0.00 C ATOM 696 CG ASN A 44 4.182 -6.963 3.995 1.00 0.00 C ATOM 697 OD1 ASN A 44 5.008 -6.050 4.005 1.00 0.00 O ATOM 698 ND2 ASN A 44 4.530 -8.244 4.040 1.00 0.00 N ATOM 0 H ASN A 44 1.929 -5.552 1.702 1.00 0.00 H new ATOM 0 HA ASN A 44 2.524 -8.311 2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.546 -5.592 3.844 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.223 -6.985 4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.515 -8.503 4.085 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.812 -8.968 4.030 1.00 0.00 H new ATOM 705 N LYS A 45 -0.234 -6.612 3.160 1.00 0.00 N ATOM 706 CA LYS A 45 -1.654 -6.736 3.474 1.00 0.00 C ATOM 707 C LYS A 45 -1.864 -7.536 4.757 1.00 0.00 C ATOM 708 O LYS A 45 -2.020 -8.756 4.721 1.00 0.00 O ATOM 709 CB LYS A 45 -2.400 -7.400 2.316 1.00 0.00 C ATOM 710 CG LYS A 45 -2.817 -6.427 1.225 1.00 0.00 C ATOM 711 CD LYS A 45 -4.021 -5.601 1.646 1.00 0.00 C ATOM 712 CE LYS A 45 -3.600 -4.295 2.300 1.00 0.00 C ATOM 713 NZ LYS A 45 -4.544 -3.187 1.990 1.00 0.00 N ATOM 0 H LYS A 45 0.078 -5.653 3.005 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.053 -5.733 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.765 -8.172 1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.287 -7.899 2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.984 -5.764 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.053 -6.978 0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.641 -5.389 0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.633 -6.176 2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.544 -4.432 3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.600 -4.025 1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.168 -2.294 2.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.657 -3.105 0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.468 -3.386 2.425 1.00 0.00 H new ATOM 727 N GLY A 46 -1.866 -6.839 5.887 1.00 0.00 N ATOM 728 CA GLY A 46 -2.057 -7.498 7.166 1.00 0.00 C ATOM 729 C GLY A 46 -0.749 -7.931 7.799 1.00 0.00 C ATOM 730 O GLY A 46 -0.584 -9.094 8.166 1.00 0.00 O ATOM 0 H GLY A 46 -1.739 -5.828 5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.579 -6.823 7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.697 -8.370 7.030 1.00 0.00 H new ATOM 734 N GLN A 47 0.184 -6.992 7.928 1.00 0.00 N ATOM 735 CA GLN A 47 1.484 -7.283 8.522 1.00 0.00 C ATOM 736 C GLN A 47 1.909 -6.171 9.474 1.00 0.00 C ATOM 737 O GLN A 47 1.283 -5.112 9.527 1.00 0.00 O ATOM 738 CB GLN A 47 2.539 -7.466 7.431 1.00 0.00 C ATOM 739 CG GLN A 47 2.362 -8.740 6.620 1.00 0.00 C ATOM 740 CD GLN A 47 2.336 -9.983 7.488 1.00 0.00 C ATOM 741 OE1 GLN A 47 3.195 -10.172 8.349 1.00 0.00 O ATOM 742 NE2 GLN A 47 1.347 -10.841 7.263 1.00 0.00 N ATOM 0 H GLN A 47 0.064 -6.024 7.629 1.00 0.00 H new ATOM 0 HA GLN A 47 1.395 -8.209 9.090 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.506 -6.609 6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.527 -7.472 7.891 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.434 -8.679 6.051 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.174 -8.822 5.897 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.656 -10.644 6.539 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.279 -11.696 7.814 1.00 0.00 H new ATOM 751 N LEU A 48 2.975 -6.420 10.228 1.00 0.00 N ATOM 752 CA LEU A 48 3.482 -5.440 11.181 1.00 0.00 C ATOM 753 C LEU A 48 4.643 -4.647 10.587 1.00 0.00 C ATOM 754 O LEU A 48 5.663 -5.216 10.199 1.00 0.00 O ATOM 755 CB LEU A 48 3.927 -6.136 12.469 1.00 0.00 C ATOM 756 CG LEU A 48 3.362 -5.534 13.758 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.074 -6.626 14.778 1.00 0.00 C ATOM 758 CD2 LEU A 48 4.325 -4.505 14.331 1.00 0.00 C ATOM 0 H LEU A 48 3.504 -7.292 10.197 1.00 0.00 H new ATOM 0 HA LEU A 48 2.676 -4.744 11.411 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.635 -7.185 12.417 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.015 -6.111 12.521 1.00 0.00 H new ATOM 0 HG LEU A 48 2.424 -5.032 13.522 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.673 -6.178 15.687 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.346 -7.325 14.367 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.996 -7.158 15.012 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.908 -4.087 15.247 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.279 -4.983 14.552 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.479 -3.707 13.605 1.00 0.00 H new ATOM 770 N CYS A 49 4.479 -3.330 10.523 1.00 0.00 N ATOM 771 CA CYS A 49 5.511 -2.453 9.983 1.00 0.00 C ATOM 772 C CYS A 49 5.461 -1.085 10.656 1.00 0.00 C ATOM 773 O CYS A 49 4.725 -0.197 10.228 1.00 0.00 O ATOM 774 CB CYS A 49 5.344 -2.298 8.471 1.00 0.00 C ATOM 775 SG CYS A 49 5.356 -3.862 7.564 1.00 0.00 S ATOM 0 H CYS A 49 3.639 -2.846 10.839 1.00 0.00 H new ATOM 0 HA CYS A 49 6.482 -2.906 10.185 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.405 -1.781 8.271 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.145 -1.663 8.091 1.00 0.00 H new ATOM 0 HG CYS A 49 5.551 -4.843 8.394 1.00 0.00 H new ATOM 781 N LEU A 50 6.246 -0.928 11.718 1.00 0.00 N ATOM 782 CA LEU A 50 6.293 0.329 12.465 1.00 0.00 C ATOM 783 C LEU A 50 6.461 1.522 11.528 1.00 0.00 C ATOM 784 O LEU A 50 6.794 1.360 10.354 1.00 0.00 O ATOM 785 CB LEU A 50 7.437 0.322 13.491 1.00 0.00 C ATOM 786 CG LEU A 50 7.752 -1.026 14.158 1.00 0.00 C ATOM 787 CD1 LEU A 50 6.484 -1.834 14.414 1.00 0.00 C ATOM 788 CD2 LEU A 50 8.737 -1.819 13.312 1.00 0.00 C ATOM 0 H LEU A 50 6.860 -1.656 12.083 1.00 0.00 H new ATOM 0 HA LEU A 50 5.344 0.424 12.992 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.341 0.677 12.996 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.198 1.042 14.274 1.00 0.00 H new ATOM 0 HG LEU A 50 8.210 -0.822 15.126 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.745 -2.781 14.886 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.821 -1.272 15.071 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.979 -2.028 13.468 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.950 -2.771 13.798 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.306 -2.002 12.328 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.662 -1.252 13.203 1.00 0.00 H new ATOM 800 N ARG A 51 6.229 2.720 12.056 1.00 0.00 N ATOM 801 CA ARG A 51 6.357 3.942 11.268 1.00 0.00 C ATOM 802 C ARG A 51 7.745 4.053 10.660 1.00 0.00 C ATOM 803 O ARG A 51 7.895 4.294 9.463 1.00 0.00 O ATOM 804 CB ARG A 51 6.057 5.175 12.127 1.00 0.00 C ATOM 805 CG ARG A 51 6.642 5.107 13.532 1.00 0.00 C ATOM 806 CD ARG A 51 5.562 5.208 14.599 1.00 0.00 C ATOM 807 NE ARG A 51 5.557 4.045 15.484 1.00 0.00 N ATOM 808 CZ ARG A 51 4.938 4.013 16.662 1.00 0.00 C ATOM 809 NH1 ARG A 51 4.273 5.075 17.100 1.00 0.00 N ATOM 810 NH2 ARG A 51 4.982 2.915 17.404 1.00 0.00 N ATOM 0 H ARG A 51 5.951 2.871 13.026 1.00 0.00 H new ATOM 0 HA ARG A 51 5.629 3.895 10.458 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.448 6.060 11.624 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.977 5.301 12.200 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.187 4.171 13.654 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.362 5.915 13.666 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.718 6.112 15.188 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.587 5.304 14.121 1.00 0.00 H new ATOM 0 HE ARG A 51 6.057 3.209 15.181 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.234 5.922 16.533 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.801 5.044 18.004 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.490 2.095 17.072 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.508 2.890 18.307 1.00 0.00 H new ATOM 824 N LYS A 52 8.753 3.867 11.495 1.00 0.00 N ATOM 825 CA LYS A 52 10.142 3.936 11.051 1.00 0.00 C ATOM 826 C LYS A 52 10.413 2.915 9.958 1.00 0.00 C ATOM 827 O LYS A 52 11.360 3.048 9.183 1.00 0.00 O ATOM 828 CB LYS A 52 11.093 3.715 12.229 1.00 0.00 C ATOM 829 CG LYS A 52 12.385 4.509 12.126 1.00 0.00 C ATOM 830 CD LYS A 52 12.653 5.311 13.390 1.00 0.00 C ATOM 831 CE LYS A 52 12.254 6.767 13.219 1.00 0.00 C ATOM 832 NZ LYS A 52 13.360 7.583 12.646 1.00 0.00 N ATOM 0 H LYS A 52 8.639 3.666 12.488 1.00 0.00 H new ATOM 0 HA LYS A 52 10.317 4.931 10.642 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.582 3.986 13.153 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.333 2.654 12.297 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.217 3.829 11.943 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.331 5.183 11.271 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.100 4.876 14.222 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.711 5.250 13.644 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.382 6.830 12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.962 7.179 14.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.047 8.570 12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.184 7.544 13.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.622 7.206 11.713 1.00 0.00 H new ATOM 846 N HIS A 53 9.569 1.903 9.897 1.00 0.00 N ATOM 847 CA HIS A 53 9.699 0.862 8.899 1.00 0.00 C ATOM 848 C HIS A 53 9.052 1.301 7.597 1.00 0.00 C ATOM 849 O HIS A 53 9.541 1.000 6.508 1.00 0.00 O ATOM 850 CB HIS A 53 9.034 -0.401 9.411 1.00 0.00 C ATOM 851 CG HIS A 53 9.479 -1.648 8.711 1.00 0.00 C ATOM 852 ND1 HIS A 53 10.345 -2.560 9.276 1.00 0.00 N ATOM 853 CD2 HIS A 53 9.171 -2.134 7.485 1.00 0.00 C ATOM 854 CE1 HIS A 53 10.552 -3.552 8.427 1.00 0.00 C ATOM 855 NE2 HIS A 53 9.851 -3.317 7.334 1.00 0.00 N ATOM 0 H HIS A 53 8.781 1.781 10.533 1.00 0.00 H new ATOM 0 HA HIS A 53 10.755 0.668 8.711 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.239 -0.501 10.477 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.954 -0.301 9.302 1.00 0.00 H new ATOM 0 HD2 HIS A 53 8.513 -1.676 6.761 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.187 -4.409 8.599 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.819 -3.917 6.510 1.00 0.00 H new ATOM 864 N LEU A 54 7.951 2.022 7.729 1.00 0.00 N ATOM 865 CA LEU A 54 7.221 2.524 6.576 1.00 0.00 C ATOM 866 C LEU A 54 8.021 3.607 5.882 1.00 0.00 C ATOM 867 O LEU A 54 8.121 3.634 4.656 1.00 0.00 O ATOM 868 CB LEU A 54 5.851 3.063 7.000 1.00 0.00 C ATOM 869 CG LEU A 54 4.656 2.209 6.573 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.529 2.189 5.059 1.00 0.00 C ATOM 871 CD2 LEU A 54 4.789 0.796 7.119 1.00 0.00 C ATOM 0 H LEU A 54 7.541 2.274 8.628 1.00 0.00 H new ATOM 0 HA LEU A 54 7.066 1.701 5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.837 3.162 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.728 4.064 6.587 1.00 0.00 H new ATOM 0 HG LEU A 54 3.750 2.652 6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.674 1.577 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.386 3.205 4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.436 1.770 4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.930 0.202 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.703 0.342 6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.829 0.829 8.208 1.00 0.00 H new ATOM 883 N LEU A 55 8.603 4.488 6.676 1.00 0.00 N ATOM 884 CA LEU A 55 9.415 5.567 6.133 1.00 0.00 C ATOM 885 C LEU A 55 10.675 5.006 5.494 1.00 0.00 C ATOM 886 O LEU A 55 11.247 5.610 4.590 1.00 0.00 O ATOM 887 CB LEU A 55 9.785 6.579 7.218 1.00 0.00 C ATOM 888 CG LEU A 55 10.192 5.976 8.563 1.00 0.00 C ATOM 889 CD1 LEU A 55 11.703 5.922 8.696 1.00 0.00 C ATOM 890 CD2 LEU A 55 9.572 6.763 9.710 1.00 0.00 C ATOM 0 H LEU A 55 8.531 4.480 7.693 1.00 0.00 H new ATOM 0 HA LEU A 55 8.827 6.082 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.606 7.196 6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.935 7.242 7.378 1.00 0.00 H new ATOM 0 HG LEU A 55 9.816 4.954 8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.968 5.489 9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.117 5.307 7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.111 6.930 8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.872 6.320 10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.914 7.797 9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.486 6.736 9.624 1.00 0.00 H new ATOM 902 N GLU A 56 11.098 3.841 5.971 1.00 0.00 N ATOM 903 CA GLU A 56 12.290 3.188 5.447 1.00 0.00 C ATOM 904 C GLU A 56 12.053 2.674 4.034 1.00 0.00 C ATOM 905 O GLU A 56 12.990 2.551 3.244 1.00 0.00 O ATOM 906 CB GLU A 56 12.714 2.037 6.363 1.00 0.00 C ATOM 907 CG GLU A 56 13.836 2.405 7.321 1.00 0.00 C ATOM 908 CD GLU A 56 15.069 1.542 7.135 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.148 0.473 7.775 1.00 0.00 O ATOM 910 OE2 GLU A 56 15.956 1.937 6.349 1.00 0.00 O ATOM 0 H GLU A 56 10.632 3.329 6.720 1.00 0.00 H new ATOM 0 HA GLU A 56 13.092 3.926 5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.850 1.704 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.032 1.194 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.104 3.451 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.480 2.307 8.346 1.00 0.00 H new ATOM 917 N GLU A 57 10.799 2.380 3.716 1.00 0.00 N ATOM 918 CA GLU A 57 10.454 1.885 2.388 1.00 0.00 C ATOM 919 C GLU A 57 10.206 3.037 1.432 1.00 0.00 C ATOM 920 O GLU A 57 10.443 2.923 0.229 1.00 0.00 O ATOM 921 CB GLU A 57 9.227 0.972 2.451 1.00 0.00 C ATOM 922 CG GLU A 57 9.360 -0.158 3.458 1.00 0.00 C ATOM 923 CD GLU A 57 10.343 -1.223 3.012 1.00 0.00 C ATOM 924 OE1 GLU A 57 10.320 -1.590 1.818 1.00 0.00 O ATOM 925 OE2 GLU A 57 11.137 -1.689 3.856 1.00 0.00 O ATOM 0 H GLU A 57 10.008 2.474 4.354 1.00 0.00 H new ATOM 0 HA GLU A 57 11.298 1.304 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.352 1.571 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.049 0.548 1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.682 0.250 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.383 -0.614 3.618 1.00 0.00 H new ATOM 932 N ILE A 58 9.754 4.155 1.974 1.00 0.00 N ATOM 933 CA ILE A 58 9.508 5.336 1.164 1.00 0.00 C ATOM 934 C ILE A 58 10.772 6.180 1.092 1.00 0.00 C ATOM 935 O ILE A 58 10.960 6.960 0.160 1.00 0.00 O ATOM 936 CB ILE A 58 8.336 6.199 1.692 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.458 5.398 2.668 1.00 0.00 C ATOM 938 CG2 ILE A 58 7.513 6.720 0.520 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.989 5.769 2.632 1.00 0.00 C ATOM 0 H ILE A 58 9.551 4.270 2.967 1.00 0.00 H new ATOM 0 HA ILE A 58 9.224 4.987 0.171 1.00 0.00 H new ATOM 0 HB ILE A 58 8.744 7.048 2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.558 4.337 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.833 5.545 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.689 7.327 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.146 7.327 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.115 5.879 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.442 5.158 3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.873 6.822 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.594 5.595 1.631 1.00 0.00 H new ATOM 951 N LYS A 59 11.653 5.994 2.074 1.00 0.00 N ATOM 952 CA LYS A 59 12.916 6.714 2.110 1.00 0.00 C ATOM 953 C LYS A 59 13.902 6.073 1.145 1.00 0.00 C ATOM 954 O LYS A 59 14.755 6.750 0.572 1.00 0.00 O ATOM 955 CB LYS A 59 13.499 6.730 3.524 1.00 0.00 C ATOM 956 CG LYS A 59 12.934 7.835 4.402 1.00 0.00 C ATOM 957 CD LYS A 59 13.496 7.768 5.813 1.00 0.00 C ATOM 958 CE LYS A 59 15.004 7.963 5.823 1.00 0.00 C ATOM 959 NZ LYS A 59 15.443 8.839 6.944 1.00 0.00 N ATOM 0 H LYS A 59 11.512 5.350 2.853 1.00 0.00 H new ATOM 0 HA LYS A 59 12.733 7.745 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.308 5.767 3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.581 6.845 3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.166 8.805 3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.848 7.753 4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.025 8.533 6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.250 6.804 6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.495 6.993 5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.320 8.400 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.477 8.947 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.995 9.773 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.164 8.410 7.849 1.00 0.00 H new ATOM 973 N ASN A 60 13.764 4.760 0.951 1.00 0.00 N ATOM 974 CA ASN A 60 14.627 4.034 0.037 1.00 0.00 C ATOM 975 C ASN A 60 14.027 4.047 -1.365 1.00 0.00 C ATOM 976 O ASN A 60 14.048 3.040 -2.074 1.00 0.00 O ATOM 977 CB ASN A 60 14.823 2.594 0.515 1.00 0.00 C ATOM 978 CG ASN A 60 16.200 2.055 0.178 1.00 0.00 C ATOM 979 OD1 ASN A 60 16.385 1.383 -0.836 1.00 0.00 O ATOM 980 ND2 ASN A 60 17.175 2.347 1.032 1.00 0.00 N ATOM 0 H ASN A 60 13.062 4.185 1.417 1.00 0.00 H new ATOM 0 HA ASN A 60 15.600 4.524 0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.672 2.548 1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.065 1.957 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.122 2.011 0.859 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.976 2.908 1.861 1.00 0.00 H new ATOM 987 N HIS A 61 13.483 5.198 -1.750 1.00 0.00 N ATOM 988 CA HIS A 61 12.861 5.361 -3.055 1.00 0.00 C ATOM 989 C HIS A 61 12.454 6.816 -3.277 1.00 0.00 C ATOM 990 O HIS A 61 12.587 7.347 -4.380 1.00 0.00 O ATOM 991 CB HIS A 61 11.636 4.452 -3.169 1.00 0.00 C ATOM 992 CG HIS A 61 11.296 4.078 -4.578 1.00 0.00 C ATOM 993 ND1 HIS A 61 12.250 3.783 -5.530 1.00 0.00 N ATOM 994 CD2 HIS A 61 10.098 3.950 -5.197 1.00 0.00 C ATOM 995 CE1 HIS A 61 11.654 3.491 -6.672 1.00 0.00 C ATOM 996 NE2 HIS A 61 10.349 3.585 -6.497 1.00 0.00 N ATOM 0 H HIS A 61 13.462 6.036 -1.169 1.00 0.00 H new ATOM 0 HA HIS A 61 13.585 5.082 -3.821 1.00 0.00 H new ATOM 0 HB2 HIS A 61 11.813 3.543 -2.594 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.779 4.953 -2.718 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.127 4.106 -4.751 1.00 0.00 H new ATOM 0 HE1 HIS A 61 12.150 3.221 -7.593 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.642 3.414 -7.212 1.00 0.00 H new ATOM 1005 N ALA A 62 11.958 7.456 -2.219 1.00 0.00 N ATOM 1006 CA ALA A 62 11.532 8.850 -2.296 1.00 0.00 C ATOM 1007 C ALA A 62 11.293 9.431 -0.903 1.00 0.00 C ATOM 1008 O ALA A 62 10.151 9.601 -0.477 1.00 0.00 O ATOM 1009 CB ALA A 62 10.275 8.967 -3.146 1.00 0.00 C ATOM 0 H ALA A 62 11.842 7.030 -1.299 1.00 0.00 H new ATOM 0 HA ALA A 62 12.330 9.425 -2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.966 10.011 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.480 8.600 -4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.477 8.374 -2.699 1.00 0.00 H new ATOM 1015 N LYS A 63 12.380 9.733 -0.197 1.00 0.00 N ATOM 1016 CA LYS A 63 12.291 10.295 1.149 1.00 0.00 C ATOM 1017 C LYS A 63 11.844 11.753 1.104 1.00 0.00 C ATOM 1018 O LYS A 63 12.459 12.581 0.433 1.00 0.00 O ATOM 1019 CB LYS A 63 13.644 10.194 1.858 1.00 0.00 C ATOM 1020 CG LYS A 63 14.766 10.919 1.134 1.00 0.00 C ATOM 1021 CD LYS A 63 16.088 10.180 1.273 1.00 0.00 C ATOM 1022 CE LYS A 63 16.865 10.170 -0.034 1.00 0.00 C ATOM 1023 NZ LYS A 63 17.369 8.809 -0.370 1.00 0.00 N ATOM 0 H LYS A 63 13.333 9.598 -0.534 1.00 0.00 H new ATOM 0 HA LYS A 63 11.549 9.720 1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.549 10.602 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.911 9.143 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.514 11.020 0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.868 11.927 1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.689 10.652 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.900 9.155 1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.225 10.529 -0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.705 10.861 0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.893 8.845 -1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.000 8.476 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.566 8.155 -0.464 1.00 0.00 H new ATOM 1092 N ARG A 68 5.925 17.366 3.731 1.00 0.00 N ATOM 1093 CA ARG A 68 6.250 17.586 5.136 1.00 0.00 C ATOM 1094 C ARG A 68 6.797 16.319 5.775 1.00 0.00 C ATOM 1095 O ARG A 68 7.957 16.260 6.182 1.00 0.00 O ATOM 1096 CB ARG A 68 5.013 18.066 5.898 1.00 0.00 C ATOM 1097 CG ARG A 68 4.263 19.185 5.195 1.00 0.00 C ATOM 1098 CD ARG A 68 2.997 19.566 5.946 1.00 0.00 C ATOM 1099 NE ARG A 68 3.258 20.549 6.995 1.00 0.00 N ATOM 1100 CZ ARG A 68 3.433 21.848 6.766 1.00 0.00 C ATOM 1101 NH1 ARG A 68 3.376 22.326 5.529 1.00 0.00 N ATOM 1102 NH2 ARG A 68 3.666 22.673 7.778 1.00 0.00 N ATOM 0 HA ARG A 68 7.021 18.355 5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.337 17.223 6.045 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.316 18.408 6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.910 20.057 5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.007 18.872 4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.267 19.970 5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.555 18.673 6.388 1.00 0.00 H new ATOM 0 HE ARG A 68 3.309 20.220 7.959 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.197 21.696 4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.511 23.323 5.361 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.711 22.312 8.731 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.800 23.669 7.604 1.00 0.00 H new ATOM 1116 N ASN A 69 5.948 15.311 5.855 1.00 0.00 N ATOM 1117 CA ASN A 69 6.323 14.030 6.441 1.00 0.00 C ATOM 1118 C ASN A 69 5.592 12.883 5.749 1.00 0.00 C ATOM 1119 O ASN A 69 4.675 13.108 4.960 1.00 0.00 O ATOM 1120 CB ASN A 69 6.011 14.019 7.939 1.00 0.00 C ATOM 1121 CG ASN A 69 6.614 15.207 8.662 1.00 0.00 C ATOM 1122 OD1 ASN A 69 7.834 15.320 8.786 1.00 0.00 O ATOM 1123 ND2 ASN A 69 5.760 16.102 9.145 1.00 0.00 N ATOM 0 H ASN A 69 4.986 15.352 5.520 1.00 0.00 H new ATOM 0 HA ASN A 69 7.395 13.893 6.300 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.931 14.020 8.083 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.391 13.097 8.380 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.108 16.922 9.641 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.757 15.969 9.020 1.00 0.00 H new ATOM 1130 N VAL A 70 6.004 11.655 6.048 1.00 0.00 N ATOM 1131 CA VAL A 70 5.383 10.480 5.450 1.00 0.00 C ATOM 1132 C VAL A 70 4.129 10.064 6.213 1.00 0.00 C ATOM 1133 O VAL A 70 3.259 9.386 5.669 1.00 0.00 O ATOM 1134 CB VAL A 70 6.363 9.289 5.382 1.00 0.00 C ATOM 1135 CG1 VAL A 70 6.643 8.724 6.767 1.00 0.00 C ATOM 1136 CG2 VAL A 70 5.824 8.204 4.465 1.00 0.00 C ATOM 0 H VAL A 70 6.762 11.449 6.698 1.00 0.00 H new ATOM 0 HA VAL A 70 5.103 10.759 4.434 1.00 0.00 H new ATOM 0 HB VAL A 70 7.304 9.656 4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.336 7.887 6.685 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.083 9.499 7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.711 8.380 7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.529 7.373 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.865 7.850 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.691 8.609 3.462 1.00 0.00 H new ATOM 1146 N ASP A 71 4.043 10.476 7.472 1.00 0.00 N ATOM 1147 CA ASP A 71 2.892 10.146 8.305 1.00 0.00 C ATOM 1148 C ASP A 71 1.689 10.988 7.918 1.00 0.00 C ATOM 1149 O ASP A 71 0.569 10.486 7.813 1.00 0.00 O ATOM 1150 CB ASP A 71 3.227 10.349 9.785 1.00 0.00 C ATOM 1151 CG ASP A 71 3.525 9.043 10.494 1.00 0.00 C ATOM 1152 OD1 ASP A 71 3.851 8.054 9.805 1.00 0.00 O ATOM 1153 OD2 ASP A 71 3.434 9.010 11.739 1.00 0.00 O ATOM 0 H ASP A 71 4.755 11.038 7.938 1.00 0.00 H new ATOM 0 HA ASP A 71 2.644 9.097 8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.088 11.011 9.872 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.392 10.845 10.279 1.00 0.00 H new ATOM 1158 N VAL A 72 1.933 12.266 7.694 1.00 0.00 N ATOM 1159 CA VAL A 72 0.875 13.186 7.301 1.00 0.00 C ATOM 1160 C VAL A 72 0.359 12.845 5.911 1.00 0.00 C ATOM 1161 O VAL A 72 -0.779 13.159 5.563 1.00 0.00 O ATOM 1162 CB VAL A 72 1.355 14.649 7.320 1.00 0.00 C ATOM 1163 CG1 VAL A 72 0.190 15.599 7.087 1.00 0.00 C ATOM 1164 CG2 VAL A 72 2.054 14.964 8.634 1.00 0.00 C ATOM 0 H VAL A 72 2.855 12.694 7.777 1.00 0.00 H new ATOM 0 HA VAL A 72 0.070 13.078 8.028 1.00 0.00 H new ATOM 0 HB VAL A 72 2.072 14.786 6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.550 16.628 7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.262 15.389 6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.554 15.462 7.872 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.386 16.002 8.630 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.361 14.808 9.461 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.916 14.308 8.754 1.00 0.00 H new ATOM 1174 N HIS A 73 1.202 12.185 5.126 1.00 0.00 N ATOM 1175 CA HIS A 73 0.831 11.781 3.779 1.00 0.00 C ATOM 1176 C HIS A 73 -0.182 10.647 3.830 1.00 0.00 C ATOM 1177 O HIS A 73 -1.011 10.498 2.933 1.00 0.00 O ATOM 1178 CB HIS A 73 2.068 11.353 2.987 1.00 0.00 C ATOM 1179 CG HIS A 73 2.438 12.306 1.894 1.00 0.00 C ATOM 1180 ND1 HIS A 73 2.795 11.897 0.626 1.00 0.00 N ATOM 1181 CD2 HIS A 73 2.503 13.659 1.882 1.00 0.00 C ATOM 1182 CE1 HIS A 73 3.064 12.955 -0.117 1.00 0.00 C ATOM 1183 NE2 HIS A 73 2.894 14.037 0.621 1.00 0.00 N ATOM 0 H HIS A 73 2.147 11.919 5.401 1.00 0.00 H new ATOM 0 HA HIS A 73 0.377 12.634 3.275 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.911 11.253 3.671 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.890 10.368 2.555 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.287 14.318 2.710 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.371 12.938 -1.152 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.031 14.997 0.306 1.00 0.00 H new ATOM 1192 N ILE A 74 -0.117 9.857 4.895 1.00 0.00 N ATOM 1193 CA ILE A 74 -1.037 8.743 5.072 1.00 0.00 C ATOM 1194 C ILE A 74 -2.462 9.252 5.236 1.00 0.00 C ATOM 1195 O ILE A 74 -3.423 8.581 4.859 1.00 0.00 O ATOM 1196 CB ILE A 74 -0.659 7.876 6.291 1.00 0.00 C ATOM 1197 CG1 ILE A 74 0.809 7.456 6.212 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -1.557 6.649 6.375 1.00 0.00 C ATOM 1199 CD1 ILE A 74 1.394 7.046 7.546 1.00 0.00 C ATOM 0 H ILE A 74 0.563 9.968 5.647 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.969 8.123 4.178 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.803 8.471 7.193 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.904 6.625 5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.393 8.282 5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.275 6.050 7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.596 6.964 6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.444 6.053 5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.438 6.761 7.413 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.332 7.882 8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.834 6.199 7.944 1.00 0.00 H new ATOM 1211 N ALA A 75 -2.589 10.450 5.794 1.00 0.00 N ATOM 1212 CA ALA A 75 -3.894 11.061 6.003 1.00 0.00 C ATOM 1213 C ALA A 75 -4.554 11.389 4.677 1.00 0.00 C ATOM 1214 O ALA A 75 -5.689 10.993 4.417 1.00 0.00 O ATOM 1215 CB ALA A 75 -3.768 12.309 6.864 1.00 0.00 C ATOM 0 H ALA A 75 -1.802 11.017 6.110 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.526 10.344 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.753 12.752 7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.344 12.042 7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.116 13.029 6.368 1.00 0.00 H new ATOM 1221 N SER A 76 -3.826 12.100 3.835 1.00 0.00 N ATOM 1222 CA SER A 76 -4.331 12.467 2.519 1.00 0.00 C ATOM 1223 C SER A 76 -4.568 11.216 1.691 1.00 0.00 C ATOM 1224 O SER A 76 -5.411 11.200 0.794 1.00 0.00 O ATOM 1225 CB SER A 76 -3.354 13.403 1.805 1.00 0.00 C ATOM 1226 OG SER A 76 -2.014 13.103 2.152 1.00 0.00 O ATOM 0 H SER A 76 -2.884 12.436 4.036 1.00 0.00 H new ATOM 0 HA SER A 76 -5.276 12.996 2.643 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.482 13.313 0.726 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.578 14.437 2.068 1.00 0.00 H new ATOM 0 HG SER A 76 -1.922 12.139 2.300 1.00 0.00 H new ATOM 1232 N LEU A 77 -3.835 10.161 2.017 1.00 0.00 N ATOM 1233 CA LEU A 77 -3.984 8.896 1.325 1.00 0.00 C ATOM 1234 C LEU A 77 -5.372 8.348 1.571 1.00 0.00 C ATOM 1235 O LEU A 77 -6.006 7.791 0.678 1.00 0.00 O ATOM 1236 CB LEU A 77 -2.938 7.891 1.806 1.00 0.00 C ATOM 1237 CG LEU A 77 -1.862 7.545 0.783 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -0.674 8.475 0.945 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.439 6.092 0.930 1.00 0.00 C ATOM 0 H LEU A 77 -3.132 10.159 2.756 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.838 9.061 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.456 8.290 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.446 6.973 2.102 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.269 7.678 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.090 8.221 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.995 9.505 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.262 8.368 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.670 5.860 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.042 5.928 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.301 5.444 0.771 1.00 0.00 H new ATOM 1251 N ARG A 78 -5.838 8.525 2.797 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.158 8.057 3.184 1.00 0.00 C ATOM 1253 C ARG A 78 -8.216 8.560 2.210 1.00 0.00 C ATOM 1254 O ARG A 78 -9.266 7.939 2.042 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.490 8.506 4.609 1.00 0.00 C ATOM 1256 CG ARG A 78 -7.730 7.353 5.571 1.00 0.00 C ATOM 1257 CD ARG A 78 -7.053 7.592 6.912 1.00 0.00 C ATOM 1258 NE ARG A 78 -7.978 7.422 8.030 1.00 0.00 N ATOM 1259 CZ ARG A 78 -7.767 7.913 9.249 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -6.664 8.602 9.513 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -8.662 7.714 10.207 1.00 0.00 N ATOM 0 H ARG A 78 -5.320 8.990 3.542 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.155 6.967 3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.672 9.119 4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.378 9.138 4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.801 7.222 5.722 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.354 6.429 5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.217 6.901 7.025 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.639 8.600 6.934 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.836 6.896 7.867 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.972 8.758 8.780 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.508 8.976 10.449 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.511 7.185 10.009 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.501 8.090 11.141 1.00 0.00 H new ATOM 1275 N LYS A 79 -7.931 9.686 1.566 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.861 10.264 0.605 1.00 0.00 C ATOM 1277 C LYS A 79 -8.819 9.512 -0.715 1.00 0.00 C ATOM 1278 O LYS A 79 -9.830 8.981 -1.176 1.00 0.00 O ATOM 1279 CB LYS A 79 -8.552 11.746 0.380 1.00 0.00 C ATOM 1280 CG LYS A 79 -9.336 12.675 1.293 1.00 0.00 C ATOM 1281 CD LYS A 79 -8.418 13.454 2.222 1.00 0.00 C ATOM 1282 CE LYS A 79 -9.208 14.216 3.275 1.00 0.00 C ATOM 1283 NZ LYS A 79 -10.041 13.307 4.110 1.00 0.00 N ATOM 0 H LYS A 79 -7.067 10.214 1.691 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.866 10.175 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.486 11.914 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.769 12.001 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.920 13.371 0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.044 12.093 1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.726 12.768 2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.817 14.153 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.520 14.769 3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.849 14.950 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.290 13.784 5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.910 13.061 3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.506 12.440 4.319 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.645 9.472 -1.312 1.00 0.00 N ATOM 1298 CA LYS A 80 -7.456 8.786 -2.582 1.00 0.00 C ATOM 1299 C LYS A 80 -7.585 7.281 -2.405 1.00 0.00 C ATOM 1300 O LYS A 80 -8.398 6.628 -3.060 1.00 0.00 O ATOM 1301 CB LYS A 80 -6.090 9.133 -3.173 1.00 0.00 C ATOM 1302 CG LYS A 80 -5.900 10.621 -3.423 1.00 0.00 C ATOM 1303 CD LYS A 80 -4.846 11.215 -2.502 1.00 0.00 C ATOM 1304 CE LYS A 80 -4.454 12.620 -2.932 1.00 0.00 C ATOM 1305 NZ LYS A 80 -4.599 13.603 -1.823 1.00 0.00 N ATOM 0 H LYS A 80 -6.801 9.908 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.233 9.119 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.310 8.783 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.962 8.595 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.609 10.781 -4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.847 11.139 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.226 11.239 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.963 10.576 -2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.422 12.617 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.075 12.928 -3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.957 14.503 -2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.268 13.234 -1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.674 13.760 -1.375 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.777 6.747 -1.509 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.779 5.316 -1.213 1.00 0.00 C ATOM 1321 C LEU A 81 -8.178 4.842 -0.830 1.00 0.00 C ATOM 1322 O LEU A 81 -8.694 3.876 -1.393 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.794 5.011 -0.079 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.824 3.575 0.456 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -5.865 2.570 -0.685 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -4.621 3.317 1.352 1.00 0.00 C ATOM 0 H LEU A 81 -6.102 7.284 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.468 4.781 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.785 5.228 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.997 5.692 0.748 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.731 3.451 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.886 1.559 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.759 2.738 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.980 2.692 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.657 2.293 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.704 3.464 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.639 4.009 2.194 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.787 5.528 0.133 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.120 5.162 0.576 1.00 0.00 C ATOM 1340 C GLY A 82 -10.137 4.651 2.003 1.00 0.00 C ATOM 1341 O GLY A 82 -9.398 5.144 2.855 1.00 0.00 O ATOM 0 H GLY A 82 -8.381 6.331 0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.777 6.028 0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.522 4.395 -0.086 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.983 3.660 2.264 1.00 0.00 N ATOM 1346 CA ALA A 83 -11.095 3.082 3.598 1.00 0.00 C ATOM 1347 C ALA A 83 -9.827 2.324 3.986 1.00 0.00 C ATOM 1348 O ALA A 83 -9.611 2.020 5.159 1.00 0.00 O ATOM 1349 CB ALA A 83 -12.304 2.161 3.673 1.00 0.00 C ATOM 0 H ALA A 83 -11.601 3.241 1.569 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.225 3.900 4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.376 1.736 4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.208 2.729 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.195 1.357 2.945 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.990 2.022 2.998 1.00 0.00 N ATOM 1356 CA TYR A 84 -7.747 1.301 3.244 1.00 0.00 C ATOM 1357 C TYR A 84 -6.694 2.218 3.858 1.00 0.00 C ATOM 1358 O TYR A 84 -5.767 1.755 4.519 1.00 0.00 O ATOM 1359 CB TYR A 84 -7.220 0.690 1.946 1.00 0.00 C ATOM 1360 CG TYR A 84 -8.288 0.011 1.120 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -8.901 -1.153 1.564 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -8.683 0.536 -0.103 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -9.879 -1.776 0.811 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -9.660 -0.079 -0.860 1.00 0.00 C ATOM 1365 CZ TYR A 84 -10.254 -1.234 -0.400 1.00 0.00 C ATOM 1366 OH TYR A 84 -11.228 -1.849 -1.153 1.00 0.00 O ATOM 0 H TYR A 84 -9.150 2.265 2.021 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.957 0.500 3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.754 1.473 1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.442 -0.035 2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.609 -1.579 2.513 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.218 1.440 -0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.346 -2.681 1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -9.957 0.343 -1.808 1.00 0.00 H new ATOM 0 HH TYR A 84 -10.819 -2.538 -1.717 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.841 3.522 3.645 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.891 4.463 4.205 1.00 0.00 C ATOM 1378 C GLY A 85 -5.890 4.411 5.715 1.00 0.00 C ATOM 1379 O GLY A 85 -4.855 4.599 6.353 1.00 0.00 O ATOM 0 H GLY A 85 -7.594 3.940 3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.892 4.240 3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.137 5.472 3.874 1.00 0.00 H new ATOM 1383 N SER A 86 -7.057 4.140 6.285 1.00 0.00 N ATOM 1384 CA SER A 86 -7.197 4.040 7.728 1.00 0.00 C ATOM 1385 C SER A 86 -6.661 2.697 8.220 1.00 0.00 C ATOM 1386 O SER A 86 -6.473 2.496 9.420 1.00 0.00 O ATOM 1387 CB SER A 86 -8.666 4.215 8.131 1.00 0.00 C ATOM 1388 OG SER A 86 -9.188 3.039 8.727 1.00 0.00 O ATOM 0 H SER A 86 -7.922 3.985 5.766 1.00 0.00 H new ATOM 0 HA SER A 86 -6.614 4.835 8.194 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.756 5.048 8.829 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.257 4.471 7.252 1.00 0.00 H new ATOM 0 HG SER A 86 -10.125 3.185 8.973 1.00 0.00 H new ATOM 1394 N ARG A 87 -6.412 1.778 7.283 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.894 0.460 7.626 1.00 0.00 C ATOM 1396 C ARG A 87 -4.637 0.571 8.479 1.00 0.00 C ATOM 1397 O ARG A 87 -4.403 -0.255 9.360 1.00 0.00 O ATOM 1398 CB ARG A 87 -5.600 -0.344 6.364 1.00 0.00 C ATOM 1399 CG ARG A 87 -5.880 -1.825 6.524 1.00 0.00 C ATOM 1400 CD ARG A 87 -7.101 -2.252 5.726 1.00 0.00 C ATOM 1401 NE ARG A 87 -8.309 -1.555 6.162 1.00 0.00 N ATOM 1402 CZ ARG A 87 -9.484 -1.649 5.543 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -9.615 -2.409 4.463 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -10.532 -0.981 6.007 1.00 0.00 N ATOM 0 H ARG A 87 -6.562 1.926 6.285 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.658 -0.059 8.206 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.201 0.047 5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.555 -0.206 6.087 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.012 -2.398 6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.035 -2.055 7.578 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.930 -2.055 4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.245 -3.327 5.830 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.248 -0.961 6.989 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.813 -2.925 4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.518 -2.477 3.993 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.437 -0.396 6.837 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.433 -1.052 5.534 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.835 1.603 8.223 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.604 1.817 8.987 1.00 0.00 C ATOM 1420 C ILE A 88 -2.917 1.906 10.481 1.00 0.00 C ATOM 1421 O ILE A 88 -3.177 2.989 11.005 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.865 3.105 8.543 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.963 3.301 7.025 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.403 3.062 8.972 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -1.690 2.044 6.227 1.00 0.00 C ATOM 0 H ILE A 88 -4.012 2.300 7.499 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.952 0.965 8.793 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.349 3.951 9.031 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.960 3.667 6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.256 4.073 6.722 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.098 3.975 8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.345 2.979 10.057 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.085 2.201 8.515 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.778 2.262 5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.683 1.688 6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.413 1.275 6.501 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.911 0.757 11.158 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.217 0.708 12.584 1.00 0.00 C ATOM 1439 C VAL A 89 -2.021 1.114 13.438 1.00 0.00 C ATOM 1440 O VAL A 89 -1.000 0.428 13.461 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.678 -0.700 13.007 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.123 -0.709 14.461 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.794 -1.193 12.098 1.00 0.00 C ATOM 0 H VAL A 89 -2.698 -0.149 10.741 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.024 1.421 12.750 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.832 -1.380 12.909 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.444 -1.713 14.737 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.292 -0.406 15.098 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.953 -0.014 14.592 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.106 -2.189 12.412 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.642 -0.511 12.160 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.435 -1.233 11.070 1.00 0.00 H new ATOM 1453 N THR A 90 -2.163 2.228 14.152 1.00 0.00 N ATOM 1454 CA THR A 90 -1.103 2.722 15.023 1.00 0.00 C ATOM 1455 C THR A 90 -1.271 2.170 16.435 1.00 0.00 C ATOM 1456 O THR A 90 -1.919 2.786 17.280 1.00 0.00 O ATOM 1457 CB THR A 90 -1.112 4.252 15.057 1.00 0.00 C ATOM 1458 OG1 THR A 90 -1.766 4.776 13.916 1.00 0.00 O ATOM 1459 CG2 THR A 90 0.274 4.858 15.110 1.00 0.00 C ATOM 0 H THR A 90 -3.004 2.806 14.144 1.00 0.00 H new ATOM 0 HA THR A 90 -0.147 2.383 14.625 1.00 0.00 H new ATOM 0 HB THR A 90 -1.642 4.516 15.972 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.101 5.003 13.233 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.195 5.945 15.132 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.788 4.513 16.007 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.838 4.553 14.229 1.00 0.00 H new ATOM 1467 N LEU A 91 -0.690 1.000 16.680 1.00 0.00 N ATOM 1468 CA LEU A 91 -0.782 0.359 17.987 1.00 0.00 C ATOM 1469 C LEU A 91 0.271 0.904 18.946 1.00 0.00 C ATOM 1470 O LEU A 91 1.471 0.773 18.705 1.00 0.00 O ATOM 1471 CB LEU A 91 -0.619 -1.156 17.842 1.00 0.00 C ATOM 1472 CG LEU A 91 -1.785 -1.871 17.157 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -1.300 -3.127 16.451 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -2.869 -2.211 18.169 1.00 0.00 C ATOM 0 H LEU A 91 -0.150 0.476 15.991 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.766 0.580 18.401 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.292 -1.356 17.277 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.480 -1.588 18.833 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.210 -1.200 16.410 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.143 -3.622 15.970 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.559 -2.858 15.698 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.850 -3.802 17.178 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.691 -2.719 17.665 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.457 -2.863 18.939 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.237 -1.294 18.630 1.00 0.00 H new ATOM 1486 N ARG A 92 -0.185 1.509 20.039 1.00 0.00 N ATOM 1487 CA ARG A 92 0.722 2.064 21.038 1.00 0.00 C ATOM 1488 C ARG A 92 1.430 0.944 21.792 1.00 0.00 C ATOM 1489 O ARG A 92 1.168 0.708 22.972 1.00 0.00 O ATOM 1490 CB ARG A 92 -0.042 2.959 22.016 1.00 0.00 C ATOM 1491 CG ARG A 92 -1.256 2.289 22.636 1.00 0.00 C ATOM 1492 CD ARG A 92 -1.761 3.061 23.844 1.00 0.00 C ATOM 1493 NE ARG A 92 -2.995 2.493 24.381 1.00 0.00 N ATOM 1494 CZ ARG A 92 -3.658 3.005 25.415 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -3.210 4.094 26.027 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -4.773 2.426 25.840 1.00 0.00 N ATOM 0 H ARG A 92 -1.175 1.627 20.255 1.00 0.00 H new ATOM 0 HA ARG A 92 1.471 2.668 20.526 1.00 0.00 H new ATOM 0 HB2 ARG A 92 0.634 3.273 22.811 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -0.362 3.861 21.495 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.050 2.213 21.893 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.000 1.272 22.934 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.995 3.062 24.620 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.932 4.100 23.564 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.371 1.655 23.937 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.353 4.544 25.705 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.723 4.481 26.819 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.122 1.588 25.374 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.281 2.818 26.633 1.00 0.00 H new ATOM 1510 N GLY A 93 2.323 0.254 21.095 1.00 0.00 N ATOM 1511 CA GLY A 93 3.059 -0.843 21.694 1.00 0.00 C ATOM 1512 C GLY A 93 3.554 -1.823 20.651 1.00 0.00 C ATOM 1513 O GLY A 93 4.652 -2.367 20.768 1.00 0.00 O ATOM 0 H GLY A 93 2.552 0.436 20.118 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.907 -0.449 22.254 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.420 -1.363 22.407 1.00 0.00 H new ATOM 1517 N VAL A 94 2.741 -2.036 19.621 1.00 0.00 N ATOM 1518 CA VAL A 94 3.096 -2.945 18.538 1.00 0.00 C ATOM 1519 C VAL A 94 3.732 -2.176 17.388 1.00 0.00 C ATOM 1520 O VAL A 94 4.659 -2.659 16.737 1.00 0.00 O ATOM 1521 CB VAL A 94 1.866 -3.707 18.003 1.00 0.00 C ATOM 1522 CG1 VAL A 94 2.301 -4.936 17.219 1.00 0.00 C ATOM 1523 CG2 VAL A 94 0.926 -4.091 19.137 1.00 0.00 C ATOM 0 H VAL A 94 1.830 -1.590 19.514 1.00 0.00 H new ATOM 0 HA VAL A 94 3.804 -3.666 18.946 1.00 0.00 H new ATOM 0 HB VAL A 94 1.322 -3.045 17.329 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.421 -5.462 16.849 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.921 -4.630 16.377 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.873 -5.599 17.869 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.067 -4.627 18.732 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.452 -4.731 19.845 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.584 -3.190 19.647 1.00 0.00 H new ATOM 1533 N GLY A 95 3.221 -0.973 17.144 1.00 0.00 N ATOM 1534 CA GLY A 95 3.740 -0.145 16.074 1.00 0.00 C ATOM 1535 C GLY A 95 2.693 0.163 15.024 1.00 0.00 C ATOM 1536 O GLY A 95 1.662 0.765 15.324 1.00 0.00 O ATOM 0 H GLY A 95 2.454 -0.557 17.672 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.118 0.788 16.491 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.584 -0.650 15.604 1.00 0.00 H new ATOM 1540 N TYR A 96 2.956 -0.251 13.791 1.00 0.00 N ATOM 1541 CA TYR A 96 2.028 -0.016 12.693 1.00 0.00 C ATOM 1542 C TYR A 96 1.617 -1.334 12.044 1.00 0.00 C ATOM 1543 O TYR A 96 2.418 -1.980 11.370 1.00 0.00 O ATOM 1544 CB TYR A 96 2.664 0.909 11.652 1.00 0.00 C ATOM 1545 CG TYR A 96 2.109 2.318 11.664 1.00 0.00 C ATOM 1546 CD1 TYR A 96 0.757 2.556 11.876 1.00 0.00 C ATOM 1547 CD2 TYR A 96 2.943 3.409 11.465 1.00 0.00 C ATOM 1548 CE1 TYR A 96 0.253 3.843 11.888 1.00 0.00 C ATOM 1549 CE2 TYR A 96 2.447 4.699 11.475 1.00 0.00 C ATOM 1550 CZ TYR A 96 1.101 4.910 11.687 1.00 0.00 C ATOM 1551 OH TYR A 96 0.604 6.193 11.699 1.00 0.00 O ATOM 0 H TYR A 96 3.805 -0.751 13.527 1.00 0.00 H new ATOM 0 HA TYR A 96 1.135 0.464 13.094 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.739 0.951 11.826 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.518 0.480 10.661 1.00 0.00 H new ATOM 0 HD1 TYR A 96 0.089 1.722 12.034 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.998 3.247 11.299 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -0.801 4.011 12.054 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.110 5.537 11.318 1.00 0.00 H new ATOM 0 HH TYR A 96 1.334 6.828 11.543 1.00 0.00 H new ATOM 1561 N LEU A 97 0.365 -1.731 12.254 1.00 0.00 N ATOM 1562 CA LEU A 97 -0.143 -2.976 11.689 1.00 0.00 C ATOM 1563 C LEU A 97 -1.322 -2.717 10.759 1.00 0.00 C ATOM 1564 O LEU A 97 -2.473 -2.702 11.193 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.563 -3.937 12.804 1.00 0.00 C ATOM 1566 CG LEU A 97 -1.222 -5.236 12.325 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -0.356 -6.438 12.671 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -2.610 -5.387 12.928 1.00 0.00 C ATOM 0 H LEU A 97 -0.314 -1.210 12.809 1.00 0.00 H new ATOM 0 HA LEU A 97 0.660 -3.430 11.109 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.317 -4.190 13.396 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.255 -3.419 13.468 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.322 -5.187 11.241 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.842 -7.349 12.322 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.616 -6.337 12.188 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.220 -6.490 13.751 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.061 -6.315 12.576 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.534 -5.410 14.015 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.232 -4.544 12.626 1.00 0.00 H new ATOM 1580 N PHE A 98 -1.031 -2.527 9.478 1.00 0.00 N ATOM 1581 CA PHE A 98 -2.077 -2.282 8.492 1.00 0.00 C ATOM 1582 C PHE A 98 -2.899 -3.547 8.273 1.00 0.00 C ATOM 1583 O PHE A 98 -2.789 -4.207 7.241 1.00 0.00 O ATOM 1584 CB PHE A 98 -1.479 -1.796 7.165 1.00 0.00 C ATOM 1585 CG PHE A 98 -0.264 -2.561 6.719 1.00 0.00 C ATOM 1586 CD1 PHE A 98 1.005 -2.163 7.110 1.00 0.00 C ATOM 1587 CD2 PHE A 98 -0.390 -3.674 5.904 1.00 0.00 C ATOM 1588 CE1 PHE A 98 2.123 -2.862 6.699 1.00 0.00 C ATOM 1589 CE2 PHE A 98 0.726 -4.377 5.489 1.00 0.00 C ATOM 1590 CZ PHE A 98 1.984 -3.970 5.888 1.00 0.00 C ATOM 0 H PHE A 98 -0.084 -2.538 9.098 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.731 -1.498 8.874 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.242 -1.864 6.389 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.216 -0.743 7.262 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.121 -1.296 7.744 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.371 -3.996 5.589 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.106 -2.542 7.012 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.614 -5.243 4.854 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.857 -4.518 5.566 1.00 0.00 H new ATOM 1600 N SER A 99 -3.718 -3.882 9.266 1.00 0.00 N ATOM 1601 CA SER A 99 -4.558 -5.075 9.202 1.00 0.00 C ATOM 1602 C SER A 99 -5.642 -4.935 8.138 1.00 0.00 C ATOM 1603 O SER A 99 -6.507 -4.066 8.231 1.00 0.00 O ATOM 1604 CB SER A 99 -5.200 -5.342 10.565 1.00 0.00 C ATOM 1605 OG SER A 99 -5.460 -6.724 10.745 1.00 0.00 O ATOM 0 H SER A 99 -3.818 -3.343 10.126 1.00 0.00 H new ATOM 0 HA SER A 99 -3.921 -5.917 8.930 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.541 -4.987 11.357 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.130 -4.780 10.649 1.00 0.00 H new ATOM 0 HG SER A 99 -5.868 -6.868 11.624 1.00 0.00 H new