USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=20 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 49 CYS SG : rot 26:sc= -0.146 USER MOD Set 1.2: A 53 HIS : no HE2:sc= 0.157 K(o=0.011,f=-1.4) USER MOD Set 2.1: A 33 SER OG : rot -171:sc= -0.41 USER MOD Set 2.2: A 73 HIS : no HD1:sc= -0.497 K(o=-0.91,f=1.5) USER MOD Set 3.1: A 12 ASN : amide:sc= -1.36 K(o=-0.32,f=-6.9!) USER MOD Set 3.2: A 23 THR OG1 : rot -71:sc= 1.04 USER MOD Single : A 6 SER OG : rot -110:sc= -0.339 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 65:sc= 0.0304 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 35 SER OG : rot 76:sc= -2.55 USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0508) USER MOD Single : A 44 ASN : amide:sc= -0.512 K(o=-0.51,f=-3.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc=-0.00645 X(o=-0.0064,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= -0.336 (180deg=-1.58!) USER MOD Single : A 69 ASN : amide:sc= -2.72! C(o=-2.7!,f=-3.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= -0.115 (180deg=-0.449) USER MOD Single : A 80 LYS NZ :NH3+ 137:sc= -0.806 (180deg=-3.4!) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.416 USER MOD Single : A 86 SER OG : rot 57:sc= 0.246 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 4.300 -8.593 -4.118 1.00 0.00 N ATOM 63 CA GLU A 5 4.750 -7.869 -5.300 1.00 0.00 C ATOM 64 C GLU A 5 3.626 -7.032 -5.894 1.00 0.00 C ATOM 65 O GLU A 5 3.863 -5.980 -6.486 1.00 0.00 O ATOM 66 CB GLU A 5 5.279 -8.852 -6.340 1.00 0.00 C ATOM 67 CG GLU A 5 6.793 -8.871 -6.433 1.00 0.00 C ATOM 68 CD GLU A 5 7.292 -9.471 -7.733 1.00 0.00 C ATOM 69 OE1 GLU A 5 6.663 -9.222 -8.782 1.00 0.00 O ATOM 70 OE2 GLU A 5 8.313 -10.191 -7.701 1.00 0.00 O ATOM 0 HA GLU A 5 5.551 -7.193 -5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.924 -9.854 -6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.865 -8.596 -7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.171 -7.853 -6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.197 -9.440 -5.596 1.00 0.00 H new ATOM 77 N SER A 6 2.405 -7.508 -5.725 1.00 0.00 N ATOM 78 CA SER A 6 1.231 -6.815 -6.234 1.00 0.00 C ATOM 79 C SER A 6 0.355 -6.337 -5.084 1.00 0.00 C ATOM 80 O SER A 6 0.573 -6.707 -3.930 1.00 0.00 O ATOM 81 CB SER A 6 0.429 -7.734 -7.157 1.00 0.00 C ATOM 82 OG SER A 6 0.402 -9.061 -6.658 1.00 0.00 O ATOM 0 H SER A 6 2.198 -8.379 -5.235 1.00 0.00 H new ATOM 0 HA SER A 6 1.564 -5.948 -6.804 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.589 -7.358 -7.254 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.868 -7.726 -8.154 1.00 0.00 H new ATOM 0 HG SER A 6 0.941 -9.639 -7.237 1.00 0.00 H new ATOM 88 N ILE A 7 -0.636 -5.514 -5.401 1.00 0.00 N ATOM 89 CA ILE A 7 -1.541 -4.990 -4.387 1.00 0.00 C ATOM 90 C ILE A 7 -2.995 -5.176 -4.806 1.00 0.00 C ATOM 91 O ILE A 7 -3.694 -4.211 -5.118 1.00 0.00 O ATOM 92 CB ILE A 7 -1.276 -3.495 -4.112 1.00 0.00 C ATOM 93 CG1 ILE A 7 0.231 -3.220 -4.076 1.00 0.00 C ATOM 94 CG2 ILE A 7 -1.934 -3.071 -2.806 1.00 0.00 C ATOM 95 CD1 ILE A 7 0.580 -1.783 -3.751 1.00 0.00 C ATOM 0 H ILE A 7 -0.833 -5.196 -6.350 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.356 -5.552 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.712 -2.908 -4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.693 -3.873 -3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.662 -3.479 -5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.738 -2.014 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.010 -3.235 -2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.526 -3.660 -1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.664 -1.665 -3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.148 -1.124 -4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.180 -1.524 -2.771 1.00 0.00 H new ATOM 107 N ARG A 8 -3.443 -6.427 -4.815 1.00 0.00 N ATOM 108 CA ARG A 8 -4.812 -6.746 -5.198 1.00 0.00 C ATOM 109 C ARG A 8 -5.689 -6.967 -3.970 1.00 0.00 C ATOM 110 O ARG A 8 -5.272 -7.603 -3.002 1.00 0.00 O ATOM 111 CB ARG A 8 -4.837 -7.989 -6.089 1.00 0.00 C ATOM 112 CG ARG A 8 -3.960 -7.869 -7.327 1.00 0.00 C ATOM 113 CD ARG A 8 -2.926 -8.982 -7.393 1.00 0.00 C ATOM 114 NE ARG A 8 -1.980 -8.785 -8.489 1.00 0.00 N ATOM 115 CZ ARG A 8 -1.213 -9.752 -8.988 1.00 0.00 C ATOM 116 NH1 ARG A 8 -1.277 -10.982 -8.494 1.00 0.00 N ATOM 117 NH2 ARG A 8 -0.379 -9.488 -9.984 1.00 0.00 N ATOM 0 H ARG A 8 -2.877 -7.237 -4.561 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.212 -5.899 -5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.512 -8.850 -5.506 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.864 -8.183 -6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.585 -7.899 -8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.455 -6.903 -7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.383 -9.029 -6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.431 -9.940 -7.518 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.903 -7.853 -8.895 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.917 -11.191 -7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.687 -11.718 -8.881 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.325 -8.544 -10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.209 -10.228 -10.367 1.00 0.00 H new ATOM 131 N PHE A 9 -6.907 -6.436 -4.018 1.00 0.00 N ATOM 132 CA PHE A 9 -7.846 -6.574 -2.912 1.00 0.00 C ATOM 133 C PHE A 9 -9.286 -6.497 -3.411 1.00 0.00 C ATOM 134 O PHE A 9 -9.781 -5.420 -3.742 1.00 0.00 O ATOM 135 CB PHE A 9 -7.598 -5.484 -1.868 1.00 0.00 C ATOM 136 CG PHE A 9 -7.453 -4.111 -2.458 1.00 0.00 C ATOM 137 CD1 PHE A 9 -6.283 -3.738 -3.101 1.00 0.00 C ATOM 138 CD2 PHE A 9 -8.487 -3.193 -2.372 1.00 0.00 C ATOM 139 CE1 PHE A 9 -6.148 -2.476 -3.646 1.00 0.00 C ATOM 140 CE2 PHE A 9 -8.358 -1.929 -2.915 1.00 0.00 C ATOM 141 CZ PHE A 9 -7.186 -1.570 -3.553 1.00 0.00 C ATOM 0 H PHE A 9 -7.266 -5.906 -4.812 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.690 -7.550 -2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.423 -5.479 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.695 -5.727 -1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.468 -4.442 -3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.405 -3.469 -1.874 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.231 -2.198 -4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.172 -1.223 -2.841 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.082 -0.583 -3.978 1.00 0.00 H new ATOM 151 N GLY A 10 -9.952 -7.646 -3.465 1.00 0.00 N ATOM 152 CA GLY A 10 -11.328 -7.684 -3.927 1.00 0.00 C ATOM 153 C GLY A 10 -11.451 -7.365 -5.406 1.00 0.00 C ATOM 154 O GLY A 10 -10.571 -7.718 -6.192 1.00 0.00 O ATOM 0 H GLY A 10 -9.564 -8.551 -3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.746 -8.672 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.921 -6.971 -3.354 1.00 0.00 H new ATOM 158 N PRO A 11 -12.540 -6.695 -5.822 1.00 0.00 N ATOM 159 CA PRO A 11 -12.763 -6.335 -7.224 1.00 0.00 C ATOM 160 C PRO A 11 -12.024 -5.061 -7.628 1.00 0.00 C ATOM 161 O PRO A 11 -12.592 -4.183 -8.277 1.00 0.00 O ATOM 162 CB PRO A 11 -14.271 -6.114 -7.276 1.00 0.00 C ATOM 163 CG PRO A 11 -14.618 -5.600 -5.920 1.00 0.00 C ATOM 164 CD PRO A 11 -13.646 -6.237 -4.958 1.00 0.00 C ATOM 0 HA PRO A 11 -12.396 -7.099 -7.910 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.541 -5.399 -8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.801 -7.040 -7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.541 -4.513 -5.886 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.645 -5.855 -5.660 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.300 -5.524 -4.210 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.103 -7.068 -4.420 1.00 0.00 H new ATOM 172 N ASN A 12 -10.755 -4.969 -7.241 1.00 0.00 N ATOM 173 CA ASN A 12 -9.935 -3.807 -7.560 1.00 0.00 C ATOM 174 C ASN A 12 -8.471 -4.086 -7.243 1.00 0.00 C ATOM 175 O ASN A 12 -8.052 -4.006 -6.088 1.00 0.00 O ATOM 176 CB ASN A 12 -10.411 -2.584 -6.772 1.00 0.00 C ATOM 177 CG ASN A 12 -11.498 -1.813 -7.496 1.00 0.00 C ATOM 178 OD1 ASN A 12 -11.236 -1.125 -8.482 1.00 0.00 O ATOM 179 ND2 ASN A 12 -12.728 -1.924 -7.006 1.00 0.00 N ATOM 0 H ASN A 12 -10.272 -5.689 -6.704 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.034 -3.602 -8.626 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.784 -2.905 -5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.564 -1.924 -6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.501 -1.427 -7.450 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.900 -2.506 -6.186 1.00 0.00 H new ATOM 186 N VAL A 13 -7.697 -4.418 -8.269 1.00 0.00 N ATOM 187 CA VAL A 13 -6.283 -4.712 -8.085 1.00 0.00 C ATOM 188 C VAL A 13 -5.442 -3.443 -8.172 1.00 0.00 C ATOM 189 O VAL A 13 -5.898 -2.421 -8.680 1.00 0.00 O ATOM 190 CB VAL A 13 -5.777 -5.739 -9.120 1.00 0.00 C ATOM 191 CG1 VAL A 13 -6.672 -6.969 -9.128 1.00 0.00 C ATOM 192 CG2 VAL A 13 -5.697 -5.120 -10.509 1.00 0.00 C ATOM 0 H VAL A 13 -8.024 -4.490 -9.233 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.176 -5.142 -7.089 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.771 -6.046 -8.833 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.302 -7.684 -9.863 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.667 -7.429 -8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.690 -6.677 -9.387 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.338 -5.865 -11.219 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.686 -4.777 -10.812 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.010 -4.274 -10.491 1.00 0.00 H new ATOM 202 N PHE A 14 -4.213 -3.517 -7.672 1.00 0.00 N ATOM 203 CA PHE A 14 -3.312 -2.371 -7.694 1.00 0.00 C ATOM 204 C PHE A 14 -1.857 -2.825 -7.732 1.00 0.00 C ATOM 205 O PHE A 14 -1.510 -3.878 -7.197 1.00 0.00 O ATOM 206 CB PHE A 14 -3.556 -1.484 -6.473 1.00 0.00 C ATOM 207 CG PHE A 14 -2.686 -0.260 -6.432 1.00 0.00 C ATOM 208 CD1 PHE A 14 -2.866 0.765 -7.346 1.00 0.00 C ATOM 209 CD2 PHE A 14 -1.690 -0.135 -5.478 1.00 0.00 C ATOM 210 CE1 PHE A 14 -2.068 1.893 -7.309 1.00 0.00 C ATOM 211 CE2 PHE A 14 -0.888 0.990 -5.435 1.00 0.00 C ATOM 212 CZ PHE A 14 -1.078 2.005 -6.353 1.00 0.00 C ATOM 0 H PHE A 14 -3.819 -4.357 -7.248 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.514 -1.795 -8.597 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.602 -1.176 -6.462 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.386 -2.070 -5.570 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.639 0.682 -8.096 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.538 -0.926 -4.759 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.219 2.686 -8.027 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.115 1.075 -4.686 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.453 2.885 -6.323 1.00 0.00 H new ATOM 222 N TYR A 15 -1.011 -2.025 -8.370 1.00 0.00 N ATOM 223 CA TYR A 15 0.408 -2.342 -8.483 1.00 0.00 C ATOM 224 C TYR A 15 1.244 -1.415 -7.606 1.00 0.00 C ATOM 225 O TYR A 15 0.760 -0.385 -7.137 1.00 0.00 O ATOM 226 CB TYR A 15 0.857 -2.226 -9.941 1.00 0.00 C ATOM 227 CG TYR A 15 0.015 -3.035 -10.901 1.00 0.00 C ATOM 228 CD1 TYR A 15 -1.123 -2.492 -11.483 1.00 0.00 C ATOM 229 CD2 TYR A 15 0.358 -4.342 -11.224 1.00 0.00 C ATOM 230 CE1 TYR A 15 -1.896 -3.228 -12.361 1.00 0.00 C ATOM 231 CE2 TYR A 15 -0.409 -5.084 -12.101 1.00 0.00 C ATOM 232 CZ TYR A 15 -1.535 -4.523 -12.667 1.00 0.00 C ATOM 233 OH TYR A 15 -2.302 -5.259 -13.540 1.00 0.00 O ATOM 0 H TYR A 15 -1.284 -1.150 -8.818 1.00 0.00 H new ATOM 0 HA TYR A 15 0.558 -3.366 -8.141 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.827 -1.178 -10.239 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.895 -2.550 -10.019 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.409 -1.478 -11.246 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.238 -4.785 -10.782 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.778 -2.791 -12.805 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.128 -6.099 -12.342 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.910 -6.150 -13.649 1.00 0.00 H new ATOM 243 N VAL A 16 2.501 -1.789 -7.388 1.00 0.00 N ATOM 244 CA VAL A 16 3.403 -0.990 -6.565 1.00 0.00 C ATOM 245 C VAL A 16 4.309 -0.110 -7.421 1.00 0.00 C ATOM 246 O VAL A 16 4.794 0.925 -6.964 1.00 0.00 O ATOM 247 CB VAL A 16 4.280 -1.880 -5.662 1.00 0.00 C ATOM 248 CG1 VAL A 16 3.490 -2.357 -4.454 1.00 0.00 C ATOM 249 CG2 VAL A 16 4.835 -3.059 -6.446 1.00 0.00 C ATOM 0 H VAL A 16 2.918 -2.639 -7.769 1.00 0.00 H new ATOM 0 HA VAL A 16 2.773 -0.356 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 16 5.121 -1.285 -5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.125 -2.984 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.150 -1.496 -3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.627 -2.934 -4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.451 -3.674 -5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.011 -3.657 -6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.441 -2.692 -7.274 1.00 0.00 H new ATOM 259 N LEU A 17 4.538 -0.526 -8.663 1.00 0.00 N ATOM 260 CA LEU A 17 5.391 0.229 -9.574 1.00 0.00 C ATOM 261 C LEU A 17 4.562 1.011 -10.588 1.00 0.00 C ATOM 262 O LEU A 17 4.945 2.104 -11.006 1.00 0.00 O ATOM 263 CB LEU A 17 6.351 -0.713 -10.304 1.00 0.00 C ATOM 264 CG LEU A 17 7.391 -1.394 -9.414 1.00 0.00 C ATOM 265 CD1 LEU A 17 7.707 -2.788 -9.933 1.00 0.00 C ATOM 266 CD2 LEU A 17 8.656 -0.553 -9.335 1.00 0.00 C ATOM 0 H LEU A 17 4.146 -1.380 -9.061 1.00 0.00 H new ATOM 0 HA LEU A 17 5.965 0.941 -8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.767 -1.483 -10.809 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.871 -0.149 -11.078 1.00 0.00 H new ATOM 0 HG LEU A 17 6.977 -1.488 -8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.449 -3.257 -9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.798 -3.389 -9.938 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.101 -2.718 -10.947 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.386 -1.052 -8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.073 -0.428 -10.334 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.417 0.425 -8.916 1.00 0.00 H new ATOM 278 N LYS A 18 3.428 0.444 -10.985 1.00 0.00 N ATOM 279 CA LYS A 18 2.551 1.090 -11.956 1.00 0.00 C ATOM 280 C LYS A 18 1.719 2.189 -11.303 1.00 0.00 C ATOM 281 O LYS A 18 1.392 3.191 -11.938 1.00 0.00 O ATOM 282 CB LYS A 18 1.630 0.059 -12.612 1.00 0.00 C ATOM 283 CG LYS A 18 2.335 -1.235 -12.991 1.00 0.00 C ATOM 284 CD LYS A 18 1.763 -1.828 -14.269 1.00 0.00 C ATOM 285 CE LYS A 18 2.863 -2.234 -15.237 1.00 0.00 C ATOM 286 NZ LYS A 18 2.407 -2.175 -16.653 1.00 0.00 N ATOM 0 H LYS A 18 3.094 -0.460 -10.650 1.00 0.00 H new ATOM 0 HA LYS A 18 3.180 1.546 -12.721 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.811 -0.170 -11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.187 0.497 -13.507 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.400 -1.045 -13.122 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.237 -1.955 -12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.152 -2.697 -14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.107 -1.101 -14.747 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.723 -1.577 -15.105 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.196 -3.246 -15.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.186 -2.459 -17.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.602 -2.820 -16.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.114 -1.204 -16.883 1.00 0.00 H new ATOM 300 N LEU A 19 1.374 1.994 -10.034 1.00 0.00 N ATOM 301 CA LEU A 19 0.576 2.973 -9.304 1.00 0.00 C ATOM 302 C LEU A 19 -0.775 3.175 -9.981 1.00 0.00 C ATOM 303 O LEU A 19 -1.262 4.300 -10.100 1.00 0.00 O ATOM 304 CB LEU A 19 1.321 4.306 -9.214 1.00 0.00 C ATOM 305 CG LEU A 19 2.622 4.268 -8.412 1.00 0.00 C ATOM 306 CD1 LEU A 19 3.368 5.587 -8.543 1.00 0.00 C ATOM 307 CD2 LEU A 19 2.337 3.956 -6.950 1.00 0.00 C ATOM 0 H LEU A 19 1.633 1.170 -9.491 1.00 0.00 H new ATOM 0 HA LEU A 19 0.408 2.594 -8.296 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.545 4.648 -10.224 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.658 5.046 -8.766 1.00 0.00 H new ATOM 0 HG LEU A 19 3.253 3.476 -8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.291 5.542 -7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.604 5.769 -9.591 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.744 6.397 -8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.274 3.933 -6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.687 4.725 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.846 2.986 -6.874 1.00 0.00 H new ATOM 319 N THR A 20 -1.373 2.076 -10.428 1.00 0.00 N ATOM 320 CA THR A 20 -2.666 2.125 -11.099 1.00 0.00 C ATOM 321 C THR A 20 -3.570 0.993 -10.620 1.00 0.00 C ATOM 322 O THR A 20 -3.161 -0.168 -10.589 1.00 0.00 O ATOM 323 CB THR A 20 -2.475 2.033 -12.614 1.00 0.00 C ATOM 324 OG1 THR A 20 -1.676 3.104 -13.084 1.00 0.00 O ATOM 325 CG2 THR A 20 -3.776 2.055 -13.388 1.00 0.00 C ATOM 0 H THR A 20 -0.981 1.139 -10.337 1.00 0.00 H new ATOM 0 HA THR A 20 -3.142 3.074 -10.854 1.00 0.00 H new ATOM 0 HB THR A 20 -1.989 1.072 -12.784 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.773 3.027 -12.711 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.566 1.986 -14.455 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.394 1.210 -13.085 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.306 2.985 -13.182 1.00 0.00 H new ATOM 333 N VAL A 21 -4.800 1.336 -10.254 1.00 0.00 N ATOM 334 CA VAL A 21 -5.758 0.342 -9.785 1.00 0.00 C ATOM 335 C VAL A 21 -6.609 -0.175 -10.939 1.00 0.00 C ATOM 336 O VAL A 21 -7.247 0.603 -11.648 1.00 0.00 O ATOM 337 CB VAL A 21 -6.689 0.908 -8.691 1.00 0.00 C ATOM 338 CG1 VAL A 21 -7.332 -0.222 -7.902 1.00 0.00 C ATOM 339 CG2 VAL A 21 -5.930 1.843 -7.760 1.00 0.00 C ATOM 0 H VAL A 21 -5.156 2.292 -10.273 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.177 -0.475 -9.358 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.476 1.482 -9.180 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.985 0.195 -7.135 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.917 -0.849 -8.575 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.556 -0.824 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.608 2.228 -6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.118 1.298 -7.280 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.520 2.674 -8.334 1.00 0.00 H new ATOM 349 N GLU A 22 -6.614 -1.491 -11.128 1.00 0.00 N ATOM 350 CA GLU A 22 -7.387 -2.104 -12.202 1.00 0.00 C ATOM 351 C GLU A 22 -8.780 -2.489 -11.718 1.00 0.00 C ATOM 352 O GLU A 22 -8.934 -3.121 -10.672 1.00 0.00 O ATOM 353 CB GLU A 22 -6.661 -3.336 -12.747 1.00 0.00 C ATOM 354 CG GLU A 22 -6.662 -3.421 -14.264 1.00 0.00 C ATOM 355 CD GLU A 22 -5.614 -4.379 -14.796 1.00 0.00 C ATOM 356 OE1 GLU A 22 -5.736 -5.595 -14.536 1.00 0.00 O ATOM 357 OE2 GLU A 22 -4.672 -3.914 -15.472 1.00 0.00 O ATOM 0 H GLU A 22 -6.092 -2.152 -10.552 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.491 -1.372 -13.003 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.630 -3.326 -12.393 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.129 -4.233 -12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.647 -3.740 -14.605 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.486 -2.429 -14.680 1.00 0.00 H new ATOM 364 N THR A 23 -9.793 -2.103 -12.486 1.00 0.00 N ATOM 365 CA THR A 23 -11.176 -2.405 -12.139 1.00 0.00 C ATOM 366 C THR A 23 -11.913 -3.010 -13.333 1.00 0.00 C ATOM 367 O THR A 23 -11.738 -2.565 -14.467 1.00 0.00 O ATOM 368 CB THR A 23 -11.890 -1.137 -11.668 1.00 0.00 C ATOM 369 OG1 THR A 23 -11.043 -0.366 -10.834 1.00 0.00 O ATOM 370 CG2 THR A 23 -13.163 -1.414 -10.899 1.00 0.00 C ATOM 0 H THR A 23 -9.682 -1.579 -13.354 1.00 0.00 H new ATOM 0 HA THR A 23 -11.176 -3.134 -11.329 1.00 0.00 H new ATOM 0 HB THR A 23 -12.148 -0.597 -12.579 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.928 -0.821 -9.974 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.617 -0.471 -10.595 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.858 -1.964 -11.533 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.932 -2.007 -10.014 1.00 0.00 H new ATOM 378 N PRO A 24 -12.751 -4.035 -13.096 1.00 0.00 N ATOM 379 CA PRO A 24 -13.512 -4.696 -14.162 1.00 0.00 C ATOM 380 C PRO A 24 -14.453 -3.738 -14.886 1.00 0.00 C ATOM 381 O PRO A 24 -14.849 -3.987 -16.025 1.00 0.00 O ATOM 382 CB PRO A 24 -14.310 -5.776 -13.421 1.00 0.00 C ATOM 383 CG PRO A 24 -14.327 -5.341 -12.000 1.00 0.00 C ATOM 384 CD PRO A 24 -13.026 -4.634 -11.780 1.00 0.00 C ATOM 0 HA PRO A 24 -12.858 -5.092 -14.939 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -15.321 -5.861 -13.819 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.842 -6.755 -13.528 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.171 -4.680 -11.803 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -14.427 -6.195 -11.330 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.105 -3.877 -11.000 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.238 -5.323 -11.477 1.00 0.00 H new ATOM 392 N GLU A 25 -14.808 -2.642 -14.222 1.00 0.00 N ATOM 393 CA GLU A 25 -15.702 -1.651 -14.809 1.00 0.00 C ATOM 394 C GLU A 25 -14.914 -0.456 -15.339 1.00 0.00 C ATOM 395 O GLU A 25 -15.305 0.171 -16.323 1.00 0.00 O ATOM 396 CB GLU A 25 -16.731 -1.185 -13.775 1.00 0.00 C ATOM 397 CG GLU A 25 -18.159 -1.577 -14.120 1.00 0.00 C ATOM 398 CD GLU A 25 -18.962 -0.420 -14.680 1.00 0.00 C ATOM 399 OE1 GLU A 25 -18.704 0.733 -14.275 1.00 0.00 O ATOM 400 OE2 GLU A 25 -19.850 -0.666 -15.524 1.00 0.00 O ATOM 0 H GLU A 25 -14.491 -2.418 -13.279 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.225 -2.117 -15.644 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.473 -1.604 -12.803 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.673 -0.101 -13.680 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.143 -2.389 -14.847 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -18.653 -1.959 -13.226 1.00 0.00 H new ATOM 407 N GLY A 26 -13.802 -0.148 -14.679 1.00 0.00 N ATOM 408 CA GLY A 26 -12.976 0.970 -15.098 1.00 0.00 C ATOM 409 C GLY A 26 -11.600 0.947 -14.461 1.00 0.00 C ATOM 410 O GLY A 26 -10.900 -0.065 -14.513 1.00 0.00 O ATOM 0 H GLY A 26 -13.458 -0.652 -13.862 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.871 0.953 -16.183 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.476 1.904 -14.841 1.00 0.00 H new ATOM 414 N SER A 27 -11.210 2.067 -13.859 1.00 0.00 N ATOM 415 CA SER A 27 -9.908 2.174 -13.209 1.00 0.00 C ATOM 416 C SER A 27 -9.922 3.262 -12.139 1.00 0.00 C ATOM 417 O SER A 27 -10.873 4.037 -12.041 1.00 0.00 O ATOM 418 CB SER A 27 -8.821 2.474 -14.243 1.00 0.00 C ATOM 419 OG SER A 27 -9.111 3.662 -14.958 1.00 0.00 O ATOM 0 H SER A 27 -11.777 2.913 -13.808 1.00 0.00 H new ATOM 0 HA SER A 27 -9.690 1.220 -12.729 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.857 2.573 -13.744 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.736 1.639 -14.938 1.00 0.00 H new ATOM 0 HG SER A 27 -8.401 3.832 -15.611 1.00 0.00 H new ATOM 425 N VAL A 28 -8.861 3.314 -11.339 1.00 0.00 N ATOM 426 CA VAL A 28 -8.755 4.307 -10.276 1.00 0.00 C ATOM 427 C VAL A 28 -7.310 4.753 -10.079 1.00 0.00 C ATOM 428 O VAL A 28 -6.425 3.935 -9.826 1.00 0.00 O ATOM 429 CB VAL A 28 -9.296 3.761 -8.941 1.00 0.00 C ATOM 430 CG1 VAL A 28 -9.372 4.868 -7.900 1.00 0.00 C ATOM 431 CG2 VAL A 28 -10.657 3.113 -9.142 1.00 0.00 C ATOM 0 H VAL A 28 -8.064 2.681 -11.407 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.358 5.162 -10.583 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.607 3.000 -8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.756 4.462 -6.964 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.377 5.281 -7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.037 5.655 -8.254 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.023 2.733 -8.188 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.358 3.851 -9.532 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.567 2.289 -9.850 1.00 0.00 H new ATOM 441 N HIS A 29 -7.079 6.057 -10.195 1.00 0.00 N ATOM 442 CA HIS A 29 -5.742 6.616 -10.027 1.00 0.00 C ATOM 443 C HIS A 29 -5.550 7.139 -8.607 1.00 0.00 C ATOM 444 O HIS A 29 -6.504 7.222 -7.833 1.00 0.00 O ATOM 445 CB HIS A 29 -5.507 7.742 -11.036 1.00 0.00 C ATOM 446 CG HIS A 29 -5.143 7.252 -12.403 1.00 0.00 C ATOM 447 ND1 HIS A 29 -5.985 7.359 -13.491 1.00 0.00 N ATOM 448 CD2 HIS A 29 -4.019 6.649 -12.858 1.00 0.00 C ATOM 449 CE1 HIS A 29 -5.395 6.841 -14.554 1.00 0.00 C ATOM 450 NE2 HIS A 29 -4.201 6.404 -14.197 1.00 0.00 N ATOM 0 H HIS A 29 -7.801 6.747 -10.405 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.016 5.823 -10.205 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.408 8.351 -11.105 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.712 8.390 -10.667 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.142 6.406 -12.276 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.818 6.785 -15.546 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.524 5.957 -14.815 1.00 0.00 H new ATOM 459 N LEU A 30 -4.313 7.487 -8.267 1.00 0.00 N ATOM 460 CA LEU A 30 -4.005 7.996 -6.935 1.00 0.00 C ATOM 461 C LEU A 30 -2.648 8.692 -6.911 1.00 0.00 C ATOM 462 O LEU A 30 -1.853 8.556 -7.841 1.00 0.00 O ATOM 463 CB LEU A 30 -4.016 6.851 -5.919 1.00 0.00 C ATOM 464 CG LEU A 30 -3.335 5.561 -6.383 1.00 0.00 C ATOM 465 CD1 LEU A 30 -1.896 5.831 -6.792 1.00 0.00 C ATOM 466 CD2 LEU A 30 -3.386 4.508 -5.287 1.00 0.00 C ATOM 0 H LEU A 30 -3.510 7.426 -8.893 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.770 8.726 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.528 7.192 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.051 6.624 -5.662 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.874 5.183 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.430 4.901 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.879 6.552 -7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.346 6.234 -5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.897 3.598 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.872 4.880 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.425 4.290 -5.040 1.00 0.00 H new ATOM 478 N THR A 31 -2.384 9.428 -5.835 1.00 0.00 N ATOM 479 CA THR A 31 -1.115 10.130 -5.686 1.00 0.00 C ATOM 480 C THR A 31 -0.016 9.149 -5.285 1.00 0.00 C ATOM 481 O THR A 31 -0.210 8.325 -4.391 1.00 0.00 O ATOM 482 CB THR A 31 -1.237 11.241 -4.640 1.00 0.00 C ATOM 483 OG1 THR A 31 -2.594 11.584 -4.427 1.00 0.00 O ATOM 484 CG2 THR A 31 -0.499 12.506 -5.024 1.00 0.00 C ATOM 0 H THR A 31 -3.031 9.553 -5.056 1.00 0.00 H new ATOM 0 HA THR A 31 -0.854 10.582 -6.643 1.00 0.00 H new ATOM 0 HB THR A 31 -0.786 10.836 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.650 12.294 -3.754 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.626 13.253 -4.241 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.561 12.285 -5.147 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.901 12.891 -5.961 1.00 0.00 H new ATOM 492 N PRO A 32 1.152 9.210 -5.946 1.00 0.00 N ATOM 493 CA PRO A 32 2.267 8.304 -5.652 1.00 0.00 C ATOM 494 C PRO A 32 2.916 8.572 -4.301 1.00 0.00 C ATOM 495 O PRO A 32 3.677 7.746 -3.798 1.00 0.00 O ATOM 496 CB PRO A 32 3.257 8.576 -6.786 1.00 0.00 C ATOM 497 CG PRO A 32 2.956 9.967 -7.225 1.00 0.00 C ATOM 498 CD PRO A 32 1.475 10.149 -7.037 1.00 0.00 C ATOM 0 HA PRO A 32 1.933 7.268 -5.594 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.287 8.483 -6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.128 7.866 -7.603 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.516 10.692 -6.635 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.239 10.117 -8.267 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.227 11.176 -6.770 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.922 9.914 -7.947 1.00 0.00 H new ATOM 506 N SER A 33 2.613 9.720 -3.711 1.00 0.00 N ATOM 507 CA SER A 33 3.177 10.067 -2.415 1.00 0.00 C ATOM 508 C SER A 33 2.368 9.434 -1.299 1.00 0.00 C ATOM 509 O SER A 33 2.920 8.937 -0.317 1.00 0.00 O ATOM 510 CB SER A 33 3.235 11.584 -2.237 1.00 0.00 C ATOM 511 OG SER A 33 1.935 12.134 -2.111 1.00 0.00 O ATOM 0 H SER A 33 1.986 10.421 -4.105 1.00 0.00 H new ATOM 0 HA SER A 33 4.195 9.679 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.823 11.827 -1.352 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.742 12.034 -3.090 1.00 0.00 H new ATOM 0 HG SER A 33 1.989 13.112 -2.141 1.00 0.00 H new ATOM 517 N GLU A 34 1.059 9.432 -1.470 1.00 0.00 N ATOM 518 CA GLU A 34 0.170 8.830 -0.491 1.00 0.00 C ATOM 519 C GLU A 34 0.001 7.359 -0.803 1.00 0.00 C ATOM 520 O GLU A 34 -0.116 6.529 0.097 1.00 0.00 O ATOM 521 CB GLU A 34 -1.186 9.539 -0.467 1.00 0.00 C ATOM 522 CG GLU A 34 -1.853 9.623 -1.831 1.00 0.00 C ATOM 523 CD GLU A 34 -3.171 8.876 -1.884 1.00 0.00 C ATOM 524 OE1 GLU A 34 -3.153 7.658 -2.161 1.00 0.00 O ATOM 525 OE2 GLU A 34 -4.222 9.509 -1.649 1.00 0.00 O ATOM 0 H GLU A 34 0.587 9.840 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 34 0.612 8.938 0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.849 9.014 0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.053 10.547 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.023 10.670 -2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.179 9.217 -2.586 1.00 0.00 H new ATOM 532 N SER A 35 0.043 7.036 -2.086 1.00 0.00 N ATOM 533 CA SER A 35 -0.048 5.656 -2.510 1.00 0.00 C ATOM 534 C SER A 35 1.335 5.024 -2.404 1.00 0.00 C ATOM 535 O SER A 35 1.480 3.802 -2.424 1.00 0.00 O ATOM 536 CB SER A 35 -0.592 5.554 -3.938 1.00 0.00 C ATOM 537 OG SER A 35 0.456 5.574 -4.892 1.00 0.00 O ATOM 0 H SER A 35 0.139 7.710 -2.845 1.00 0.00 H new ATOM 0 HA SER A 35 -0.745 5.121 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.167 4.634 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.276 6.381 -4.129 1.00 0.00 H new ATOM 0 HG SER A 35 0.904 4.703 -4.904 1.00 0.00 H new ATOM 543 N GLY A 36 2.354 5.881 -2.263 1.00 0.00 N ATOM 544 CA GLY A 36 3.710 5.405 -2.124 1.00 0.00 C ATOM 545 C GLY A 36 3.942 4.786 -0.766 1.00 0.00 C ATOM 546 O GLY A 36 4.746 3.865 -0.622 1.00 0.00 O ATOM 0 H GLY A 36 2.254 6.896 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.920 4.670 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.404 6.232 -2.272 1.00 0.00 H new ATOM 550 N ILE A 37 3.225 5.289 0.234 1.00 0.00 N ATOM 551 CA ILE A 37 3.351 4.766 1.590 1.00 0.00 C ATOM 552 C ILE A 37 2.694 3.397 1.703 1.00 0.00 C ATOM 553 O ILE A 37 3.097 2.568 2.519 1.00 0.00 O ATOM 554 CB ILE A 37 2.732 5.718 2.635 1.00 0.00 C ATOM 555 CG1 ILE A 37 2.968 5.178 4.049 1.00 0.00 C ATOM 556 CG2 ILE A 37 1.244 5.910 2.374 1.00 0.00 C ATOM 557 CD1 ILE A 37 2.998 6.254 5.112 1.00 0.00 C ATOM 0 H ILE A 37 2.556 6.052 0.133 1.00 0.00 H new ATOM 0 HA ILE A 37 4.418 4.677 1.797 1.00 0.00 H new ATOM 0 HB ILE A 37 3.218 6.690 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.183 4.462 4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.912 4.634 4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.827 6.585 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.101 6.336 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.737 4.947 2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.169 5.798 6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.802 6.958 4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.045 6.783 5.121 1.00 0.00 H new ATOM 569 N LEU A 38 1.691 3.163 0.868 1.00 0.00 N ATOM 570 CA LEU A 38 0.986 1.889 0.861 1.00 0.00 C ATOM 571 C LEU A 38 1.857 0.804 0.230 1.00 0.00 C ATOM 572 O LEU A 38 1.614 -0.389 0.412 1.00 0.00 O ATOM 573 CB LEU A 38 -0.353 2.024 0.113 1.00 0.00 C ATOM 574 CG LEU A 38 -0.387 1.474 -1.320 1.00 0.00 C ATOM 575 CD1 LEU A 38 -0.919 0.049 -1.331 1.00 0.00 C ATOM 576 CD2 LEU A 38 -1.237 2.364 -2.216 1.00 0.00 C ATOM 0 H LEU A 38 1.347 3.839 0.186 1.00 0.00 H new ATOM 0 HA LEU A 38 0.774 1.598 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.123 1.515 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.623 3.080 0.081 1.00 0.00 H new ATOM 0 HG LEU A 38 0.632 1.467 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.936 -0.325 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.273 -0.585 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.929 0.035 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.248 1.957 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.255 2.403 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.817 3.370 -2.234 1.00 0.00 H new ATOM 588 N LYS A 39 2.873 1.233 -0.516 1.00 0.00 N ATOM 589 CA LYS A 39 3.783 0.309 -1.178 1.00 0.00 C ATOM 590 C LYS A 39 4.760 -0.300 -0.188 1.00 0.00 C ATOM 591 O LYS A 39 5.052 -1.494 -0.243 1.00 0.00 O ATOM 592 CB LYS A 39 4.546 1.028 -2.293 1.00 0.00 C ATOM 593 CG LYS A 39 5.361 0.097 -3.175 1.00 0.00 C ATOM 594 CD LYS A 39 6.855 0.280 -2.953 1.00 0.00 C ATOM 595 CE LYS A 39 7.671 -0.447 -4.011 1.00 0.00 C ATOM 596 NZ LYS A 39 8.462 0.496 -4.849 1.00 0.00 N ATOM 0 H LYS A 39 3.085 2.218 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 39 3.191 -0.497 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.835 1.573 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.212 1.767 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.086 -0.937 -2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.122 0.285 -4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.099 1.342 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.125 -0.092 -1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.344 -1.155 -3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.004 -1.027 -4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.697 0.042 -5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.903 1.355 -5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.339 0.750 -4.352 1.00 0.00 H new ATOM 610 N ARG A 40 5.261 0.527 0.715 1.00 0.00 N ATOM 611 CA ARG A 40 6.212 0.067 1.723 1.00 0.00 C ATOM 612 C ARG A 40 5.524 -0.810 2.759 1.00 0.00 C ATOM 613 O ARG A 40 6.147 -1.688 3.356 1.00 0.00 O ATOM 614 CB ARG A 40 6.893 1.258 2.401 1.00 0.00 C ATOM 615 CG ARG A 40 8.403 1.275 2.223 1.00 0.00 C ATOM 616 CD ARG A 40 8.842 2.373 1.267 1.00 0.00 C ATOM 617 NE ARG A 40 9.069 1.864 -0.083 1.00 0.00 N ATOM 618 CZ ARG A 40 10.175 1.226 -0.459 1.00 0.00 C ATOM 619 NH1 ARG A 40 11.157 1.017 0.409 1.00 0.00 N ATOM 620 NH2 ARG A 40 10.300 0.796 -1.708 1.00 0.00 N ATOM 0 H ARG A 40 5.028 1.518 0.774 1.00 0.00 H new ATOM 0 HA ARG A 40 6.973 -0.531 1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.477 2.182 1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.661 1.241 3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.882 1.422 3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.736 0.308 1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.081 3.153 1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.757 2.834 1.639 1.00 0.00 H new ATOM 0 HE ARG A 40 8.337 2.006 -0.779 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.067 1.346 1.370 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.002 0.527 0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.549 0.954 -2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.147 0.307 -1.997 1.00 0.00 H new ATOM 634 N LEU A 41 4.237 -0.577 2.957 1.00 0.00 N ATOM 635 CA LEU A 41 3.461 -1.358 3.911 1.00 0.00 C ATOM 636 C LEU A 41 3.060 -2.697 3.302 1.00 0.00 C ATOM 637 O LEU A 41 2.739 -3.645 4.018 1.00 0.00 O ATOM 638 CB LEU A 41 2.216 -0.583 4.350 1.00 0.00 C ATOM 639 CG LEU A 41 2.338 0.129 5.698 1.00 0.00 C ATOM 640 CD1 LEU A 41 3.526 1.079 5.693 1.00 0.00 C ATOM 641 CD2 LEU A 41 1.055 0.878 6.022 1.00 0.00 C ATOM 0 H LEU A 41 3.706 0.146 2.471 1.00 0.00 H new ATOM 0 HA LEU A 41 4.082 -1.545 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.979 0.157 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.374 -1.274 4.396 1.00 0.00 H new ATOM 0 HG LEU A 41 2.502 -0.621 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.598 1.577 6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.441 0.517 5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.392 1.825 4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.159 1.379 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.861 1.619 5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.224 0.174 6.067 1.00 0.00 H new ATOM 653 N LEU A 42 3.086 -2.767 1.975 1.00 0.00 N ATOM 654 CA LEU A 42 2.731 -3.988 1.269 1.00 0.00 C ATOM 655 C LEU A 42 3.897 -4.971 1.262 1.00 0.00 C ATOM 656 O LEU A 42 3.699 -6.179 1.133 1.00 0.00 O ATOM 657 CB LEU A 42 2.295 -3.666 -0.163 1.00 0.00 C ATOM 658 CG LEU A 42 0.798 -3.829 -0.438 1.00 0.00 C ATOM 659 CD1 LEU A 42 0.424 -5.301 -0.489 1.00 0.00 C ATOM 660 CD2 LEU A 42 -0.023 -3.107 0.620 1.00 0.00 C ATOM 0 H LEU A 42 3.350 -1.991 1.368 1.00 0.00 H new ATOM 0 HA LEU A 42 1.897 -4.455 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.581 -2.639 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.847 -4.310 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 42 0.577 -3.382 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.644 -5.399 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.985 -5.792 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.662 -5.770 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.084 -3.235 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.203 -3.523 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.224 -2.045 0.610 1.00 0.00 H new ATOM 672 N ILE A 43 5.111 -4.451 1.410 1.00 0.00 N ATOM 673 CA ILE A 43 6.297 -5.300 1.429 1.00 0.00 C ATOM 674 C ILE A 43 6.446 -5.985 2.782 1.00 0.00 C ATOM 675 O ILE A 43 6.947 -7.106 2.870 1.00 0.00 O ATOM 676 CB ILE A 43 7.587 -4.510 1.120 1.00 0.00 C ATOM 677 CG1 ILE A 43 7.326 -3.426 0.071 1.00 0.00 C ATOM 678 CG2 ILE A 43 8.680 -5.455 0.643 1.00 0.00 C ATOM 679 CD1 ILE A 43 6.650 -3.942 -1.181 1.00 0.00 C ATOM 0 H ILE A 43 5.299 -3.454 1.518 1.00 0.00 H new ATOM 0 HA ILE A 43 6.158 -6.047 0.647 1.00 0.00 H new ATOM 0 HB ILE A 43 7.917 -4.022 2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.706 -2.646 0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.274 -2.962 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.585 -4.886 0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.890 -6.190 1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.350 -5.966 -0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.497 -3.118 -1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.279 -4.700 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.686 -4.380 -0.920 1.00 0.00 H new ATOM 691 N ASN A 44 5.999 -5.307 3.836 1.00 0.00 N ATOM 692 CA ASN A 44 6.074 -5.857 5.184 1.00 0.00 C ATOM 693 C ASN A 44 4.794 -6.609 5.522 1.00 0.00 C ATOM 694 O ASN A 44 4.821 -7.649 6.181 1.00 0.00 O ATOM 695 CB ASN A 44 6.317 -4.741 6.204 1.00 0.00 C ATOM 696 CG ASN A 44 7.477 -5.047 7.132 1.00 0.00 C ATOM 697 OD1 ASN A 44 7.987 -6.167 7.158 1.00 0.00 O ATOM 698 ND2 ASN A 44 7.899 -4.049 7.899 1.00 0.00 N ATOM 0 H ASN A 44 5.582 -4.378 3.782 1.00 0.00 H new ATOM 0 HA ASN A 44 6.910 -6.555 5.226 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.514 -3.807 5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.413 -4.589 6.794 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.676 -4.194 8.543 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.446 -3.137 7.844 1.00 0.00 H new ATOM 705 N LYS A 45 3.678 -6.070 5.053 1.00 0.00 N ATOM 706 CA LYS A 45 2.363 -6.668 5.278 1.00 0.00 C ATOM 707 C LYS A 45 2.204 -7.159 6.717 1.00 0.00 C ATOM 708 O LYS A 45 2.171 -8.363 6.974 1.00 0.00 O ATOM 709 CB LYS A 45 2.136 -7.824 4.301 1.00 0.00 C ATOM 710 CG LYS A 45 0.776 -8.488 4.447 1.00 0.00 C ATOM 711 CD LYS A 45 0.864 -9.994 4.255 1.00 0.00 C ATOM 712 CE LYS A 45 0.248 -10.426 2.934 1.00 0.00 C ATOM 713 NZ LYS A 45 0.027 -11.897 2.876 1.00 0.00 N ATOM 0 H LYS A 45 3.655 -5.209 4.507 1.00 0.00 H new ATOM 0 HA LYS A 45 1.614 -5.895 5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.242 -7.453 3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.914 -8.573 4.450 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.368 -8.270 5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.085 -8.067 3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.908 -10.306 4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.354 -10.497 5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.702 -9.911 2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.900 -10.125 2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.394 -12.149 1.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.936 -12.389 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.616 -12.182 3.642 1.00 0.00 H new ATOM 727 N GLY A 46 2.099 -6.218 7.648 1.00 0.00 N ATOM 728 CA GLY A 46 1.936 -6.571 9.047 1.00 0.00 C ATOM 729 C GLY A 46 3.243 -6.572 9.814 1.00 0.00 C ATOM 730 O GLY A 46 3.988 -7.552 9.791 1.00 0.00 O ATOM 0 H GLY A 46 2.124 -5.216 7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.247 -5.868 9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.480 -7.559 9.116 1.00 0.00 H new ATOM 734 N GLN A 47 3.515 -5.466 10.499 1.00 0.00 N ATOM 735 CA GLN A 47 4.733 -5.325 11.288 1.00 0.00 C ATOM 736 C GLN A 47 4.666 -4.067 12.150 1.00 0.00 C ATOM 737 O GLN A 47 4.102 -3.053 11.738 1.00 0.00 O ATOM 738 CB GLN A 47 5.958 -5.273 10.371 1.00 0.00 C ATOM 739 CG GLN A 47 6.790 -6.544 10.398 1.00 0.00 C ATOM 740 CD GLN A 47 7.734 -6.598 11.584 1.00 0.00 C ATOM 741 OE1 GLN A 47 7.306 -6.534 12.736 1.00 0.00 O ATOM 742 NE2 GLN A 47 9.027 -6.716 11.306 1.00 0.00 N ATOM 0 H GLN A 47 2.904 -4.650 10.523 1.00 0.00 H new ATOM 0 HA GLN A 47 4.823 -6.192 11.943 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.629 -5.085 9.349 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.586 -4.431 10.664 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.126 -7.408 10.427 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.367 -6.616 9.476 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.338 -6.766 10.336 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.710 -6.757 12.063 1.00 0.00 H new ATOM 751 N LEU A 48 5.243 -4.136 13.345 1.00 0.00 N ATOM 752 CA LEU A 48 5.241 -2.997 14.255 1.00 0.00 C ATOM 753 C LEU A 48 6.144 -1.884 13.733 1.00 0.00 C ATOM 754 O LEU A 48 7.360 -2.050 13.638 1.00 0.00 O ATOM 755 CB LEU A 48 5.694 -3.428 15.653 1.00 0.00 C ATOM 756 CG LEU A 48 4.941 -2.772 16.814 1.00 0.00 C ATOM 757 CD1 LEU A 48 5.303 -1.299 16.924 1.00 0.00 C ATOM 758 CD2 LEU A 48 3.438 -2.941 16.640 1.00 0.00 C ATOM 0 H LEU A 48 5.716 -4.965 13.705 1.00 0.00 H new ATOM 0 HA LEU A 48 4.222 -2.615 14.316 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.585 -4.509 15.735 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.756 -3.206 15.758 1.00 0.00 H new ATOM 0 HG LEU A 48 5.238 -3.268 17.738 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.758 -0.851 17.755 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.374 -1.200 17.098 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.037 -0.789 15.998 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.920 -2.469 17.474 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.125 -2.473 15.707 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.192 -4.003 16.614 1.00 0.00 H new ATOM 770 N CYS A 49 5.539 -0.750 13.396 1.00 0.00 N ATOM 771 CA CYS A 49 6.285 0.391 12.882 1.00 0.00 C ATOM 772 C CYS A 49 5.896 1.671 13.616 1.00 0.00 C ATOM 773 O CYS A 49 4.901 1.706 14.340 1.00 0.00 O ATOM 774 CB CYS A 49 6.038 0.554 11.382 1.00 0.00 C ATOM 775 SG CYS A 49 7.407 1.326 10.487 1.00 0.00 S ATOM 0 H CYS A 49 4.533 -0.597 13.470 1.00 0.00 H new ATOM 0 HA CYS A 49 7.346 0.206 13.050 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.842 -0.427 10.948 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.139 1.153 11.236 1.00 0.00 H new ATOM 0 HG CYS A 49 8.518 1.115 11.128 1.00 0.00 H new ATOM 781 N LEU A 50 6.688 2.720 13.421 1.00 0.00 N ATOM 782 CA LEU A 50 6.430 4.004 14.061 1.00 0.00 C ATOM 783 C LEU A 50 6.348 5.117 13.022 1.00 0.00 C ATOM 784 O LEU A 50 6.659 4.906 11.849 1.00 0.00 O ATOM 785 CB LEU A 50 7.528 4.323 15.079 1.00 0.00 C ATOM 786 CG LEU A 50 7.681 3.305 16.211 1.00 0.00 C ATOM 787 CD1 LEU A 50 6.347 3.070 16.903 1.00 0.00 C ATOM 788 CD2 LEU A 50 8.246 1.997 15.680 1.00 0.00 C ATOM 0 H LEU A 50 7.515 2.706 12.824 1.00 0.00 H new ATOM 0 HA LEU A 50 5.473 3.939 14.579 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.479 4.402 14.552 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.324 5.301 15.516 1.00 0.00 H new ATOM 0 HG LEU A 50 8.380 3.709 16.943 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.476 2.343 17.705 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.983 4.009 17.320 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.625 2.689 16.181 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.348 1.285 16.499 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.572 1.589 14.927 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.224 2.178 15.233 1.00 0.00 H new ATOM 800 N ARG A 51 5.931 6.301 13.456 1.00 0.00 N ATOM 801 CA ARG A 51 5.814 7.442 12.557 1.00 0.00 C ATOM 802 C ARG A 51 7.160 7.780 11.938 1.00 0.00 C ATOM 803 O ARG A 51 7.384 7.559 10.750 1.00 0.00 O ATOM 804 CB ARG A 51 5.264 8.657 13.309 1.00 0.00 C ATOM 805 CG ARG A 51 4.145 9.374 12.572 1.00 0.00 C ATOM 806 CD ARG A 51 3.417 10.351 13.481 1.00 0.00 C ATOM 807 NE ARG A 51 2.958 9.714 14.713 1.00 0.00 N ATOM 808 CZ ARG A 51 2.633 10.382 15.817 1.00 0.00 C ATOM 809 NH1 ARG A 51 2.711 11.707 15.847 1.00 0.00 N ATOM 810 NH2 ARG A 51 2.227 9.724 16.894 1.00 0.00 N ATOM 0 H ARG A 51 5.669 6.495 14.422 1.00 0.00 H new ATOM 0 HA ARG A 51 5.122 7.176 11.758 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.898 8.335 14.284 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.077 9.360 13.490 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.556 9.909 11.716 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.438 8.642 12.181 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.080 11.180 13.727 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.563 10.772 12.951 1.00 0.00 H new ATOM 0 HE ARG A 51 2.882 8.697 14.728 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.021 12.218 15.021 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.461 12.214 16.696 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.164 8.706 16.876 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.978 10.236 17.740 1.00 0.00 H new ATOM 824 N LYS A 52 8.056 8.309 12.756 1.00 0.00 N ATOM 825 CA LYS A 52 9.395 8.683 12.300 1.00 0.00 C ATOM 826 C LYS A 52 9.998 7.594 11.425 1.00 0.00 C ATOM 827 O LYS A 52 10.783 7.868 10.517 1.00 0.00 O ATOM 828 CB LYS A 52 10.309 8.964 13.494 1.00 0.00 C ATOM 829 CG LYS A 52 11.543 9.775 13.137 1.00 0.00 C ATOM 830 CD LYS A 52 11.226 11.258 13.039 1.00 0.00 C ATOM 831 CE LYS A 52 11.239 11.923 14.407 1.00 0.00 C ATOM 832 NZ LYS A 52 12.462 12.749 14.612 1.00 0.00 N ATOM 0 H LYS A 52 7.884 8.492 13.745 1.00 0.00 H new ATOM 0 HA LYS A 52 9.304 9.591 11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.742 9.497 14.257 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.622 8.016 13.933 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.315 9.616 13.890 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.948 9.425 12.187 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.954 11.745 12.390 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.248 11.392 12.577 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.355 12.551 14.514 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.183 11.159 15.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.432 13.185 15.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.305 12.145 14.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.503 13.494 13.888 1.00 0.00 H new ATOM 846 N HIS A 53 9.609 6.361 11.698 1.00 0.00 N ATOM 847 CA HIS A 53 10.086 5.220 10.936 1.00 0.00 C ATOM 848 C HIS A 53 9.418 5.185 9.576 1.00 0.00 C ATOM 849 O HIS A 53 10.076 5.063 8.542 1.00 0.00 O ATOM 850 CB HIS A 53 9.791 3.931 11.693 1.00 0.00 C ATOM 851 CG HIS A 53 10.805 2.853 11.468 1.00 0.00 C ATOM 852 ND1 HIS A 53 10.689 1.907 10.471 1.00 0.00 N ATOM 853 CD2 HIS A 53 11.961 2.574 12.116 1.00 0.00 C ATOM 854 CE1 HIS A 53 11.728 1.092 10.517 1.00 0.00 C ATOM 855 NE2 HIS A 53 12.515 1.476 11.506 1.00 0.00 N ATOM 0 H HIS A 53 8.959 6.123 12.447 1.00 0.00 H new ATOM 0 HA HIS A 53 11.163 5.314 10.797 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.738 4.151 12.759 1.00 0.00 H new ATOM 0 HB3 HIS A 53 8.810 3.562 11.395 1.00 0.00 H new ATOM 0 HD1 HIS A 53 9.921 1.846 9.803 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.371 3.115 12.956 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.904 0.254 9.858 1.00 0.00 H new ATOM 864 N LEU A 54 8.104 5.307 9.593 1.00 0.00 N ATOM 865 CA LEU A 54 7.321 5.306 8.369 1.00 0.00 C ATOM 866 C LEU A 54 7.665 6.524 7.524 1.00 0.00 C ATOM 867 O LEU A 54 7.511 6.508 6.304 1.00 0.00 O ATOM 868 CB LEU A 54 5.824 5.287 8.691 1.00 0.00 C ATOM 869 CG LEU A 54 5.056 4.093 8.122 1.00 0.00 C ATOM 870 CD1 LEU A 54 3.588 4.169 8.513 1.00 0.00 C ATOM 871 CD2 LEU A 54 5.205 4.036 6.609 1.00 0.00 C ATOM 0 H LEU A 54 7.553 5.409 10.445 1.00 0.00 H new ATOM 0 HA LEU A 54 7.563 4.407 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.700 5.297 9.774 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.374 6.204 8.311 1.00 0.00 H new ATOM 0 HG LEU A 54 5.476 3.180 8.543 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.057 3.312 8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.500 4.161 9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.154 5.089 8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.652 3.180 6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.811 4.952 6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.259 3.934 6.351 1.00 0.00 H new ATOM 883 N LEU A 55 8.141 7.575 8.183 1.00 0.00 N ATOM 884 CA LEU A 55 8.520 8.800 7.496 1.00 0.00 C ATOM 885 C LEU A 55 9.815 8.600 6.723 1.00 0.00 C ATOM 886 O LEU A 55 10.061 9.263 5.715 1.00 0.00 O ATOM 887 CB LEU A 55 8.676 9.946 8.500 1.00 0.00 C ATOM 888 CG LEU A 55 7.367 10.517 9.068 1.00 0.00 C ATOM 889 CD1 LEU A 55 6.211 9.541 8.888 1.00 0.00 C ATOM 890 CD2 LEU A 55 7.540 10.867 10.537 1.00 0.00 C ATOM 0 H LEU A 55 8.273 7.601 9.194 1.00 0.00 H new ATOM 0 HA LEU A 55 7.731 9.057 6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.289 9.596 9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.225 10.755 8.018 1.00 0.00 H new ATOM 0 HG LEU A 55 7.127 11.424 8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.300 9.976 9.300 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.068 9.338 7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.437 8.610 9.408 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.606 11.270 10.927 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.810 9.970 11.095 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.329 11.611 10.643 1.00 0.00 H new ATOM 902 N GLU A 56 10.637 7.673 7.199 1.00 0.00 N ATOM 903 CA GLU A 56 11.906 7.374 6.550 1.00 0.00 C ATOM 904 C GLU A 56 11.694 6.523 5.300 1.00 0.00 C ATOM 905 O GLU A 56 12.595 6.388 4.473 1.00 0.00 O ATOM 906 CB GLU A 56 12.841 6.649 7.520 1.00 0.00 C ATOM 907 CG GLU A 56 13.329 7.524 8.664 1.00 0.00 C ATOM 908 CD GLU A 56 14.823 7.404 8.893 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.590 7.599 7.927 1.00 0.00 O ATOM 910 OE2 GLU A 56 15.227 7.116 10.040 1.00 0.00 O ATOM 0 H GLU A 56 10.447 7.116 8.032 1.00 0.00 H new ATOM 0 HA GLU A 56 12.362 8.318 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.323 5.783 7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.703 6.273 6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.080 8.564 8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.802 7.249 9.577 1.00 0.00 H new ATOM 917 N GLU A 57 10.498 5.949 5.165 1.00 0.00 N ATOM 918 CA GLU A 57 10.181 5.114 4.012 1.00 0.00 C ATOM 919 C GLU A 57 9.591 5.941 2.877 1.00 0.00 C ATOM 920 O GLU A 57 9.666 5.552 1.711 1.00 0.00 O ATOM 921 CB GLU A 57 9.212 3.999 4.409 1.00 0.00 C ATOM 922 CG GLU A 57 9.724 3.123 5.541 1.00 0.00 C ATOM 923 CD GLU A 57 11.097 2.545 5.258 1.00 0.00 C ATOM 924 OE1 GLU A 57 11.433 2.370 4.068 1.00 0.00 O ATOM 925 OE2 GLU A 57 11.836 2.268 6.226 1.00 0.00 O ATOM 0 H GLU A 57 9.738 6.048 5.838 1.00 0.00 H new ATOM 0 HA GLU A 57 11.110 4.667 3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.262 4.443 4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.014 3.374 3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.763 3.709 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.020 2.309 5.712 1.00 0.00 H new ATOM 932 N ILE A 58 9.026 7.091 3.218 1.00 0.00 N ATOM 933 CA ILE A 58 8.450 7.976 2.213 1.00 0.00 C ATOM 934 C ILE A 58 9.503 8.963 1.727 1.00 0.00 C ATOM 935 O ILE A 58 9.427 9.477 0.611 1.00 0.00 O ATOM 936 CB ILE A 58 7.219 8.765 2.727 1.00 0.00 C ATOM 937 CG1 ILE A 58 6.626 8.132 3.994 1.00 0.00 C ATOM 938 CG2 ILE A 58 6.163 8.852 1.633 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.833 6.867 3.738 1.00 0.00 C ATOM 0 H ILE A 58 8.954 7.432 4.177 1.00 0.00 H new ATOM 0 HA ILE A 58 8.110 7.337 1.398 1.00 0.00 H new ATOM 0 HB ILE A 58 7.551 9.770 2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.436 7.907 4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.980 8.861 4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.301 9.408 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.580 9.363 0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.851 7.847 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.448 6.482 4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.001 7.088 3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.479 6.119 3.278 1.00 0.00 H new ATOM 951 N LYS A 59 10.494 9.210 2.577 1.00 0.00 N ATOM 952 CA LYS A 59 11.580 10.120 2.248 1.00 0.00 C ATOM 953 C LYS A 59 12.654 9.401 1.437 1.00 0.00 C ATOM 954 O LYS A 59 13.392 10.027 0.676 1.00 0.00 O ATOM 955 CB LYS A 59 12.188 10.706 3.524 1.00 0.00 C ATOM 956 CG LYS A 59 13.053 11.932 3.279 1.00 0.00 C ATOM 957 CD LYS A 59 13.476 12.588 4.585 1.00 0.00 C ATOM 958 CE LYS A 59 12.683 13.858 4.857 1.00 0.00 C ATOM 959 NZ LYS A 59 13.561 14.976 5.300 1.00 0.00 N ATOM 0 H LYS A 59 10.565 8.789 3.503 1.00 0.00 H new ATOM 0 HA LYS A 59 11.176 10.934 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.384 10.970 4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.788 9.940 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.938 11.646 2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.503 12.651 2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.334 11.887 5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.540 12.824 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.148 14.152 3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.932 13.661 5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.983 15.823 5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.053 14.705 6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.261 15.182 4.559 1.00 0.00 H new ATOM 973 N ASN A 60 12.732 8.079 1.598 1.00 0.00 N ATOM 974 CA ASN A 60 13.707 7.281 0.875 1.00 0.00 C ATOM 975 C ASN A 60 13.111 6.740 -0.422 1.00 0.00 C ATOM 976 O ASN A 60 13.463 5.650 -0.873 1.00 0.00 O ATOM 977 CB ASN A 60 14.203 6.125 1.747 1.00 0.00 C ATOM 978 CG ASN A 60 15.488 6.462 2.479 1.00 0.00 C ATOM 979 OD1 ASN A 60 16.471 5.726 2.400 1.00 0.00 O ATOM 980 ND2 ASN A 60 15.484 7.579 3.198 1.00 0.00 N ATOM 0 H ASN A 60 12.129 7.544 2.224 1.00 0.00 H new ATOM 0 HA ASN A 60 14.552 7.923 0.626 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.432 5.864 2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.364 5.246 1.123 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.319 7.857 3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.646 8.159 3.235 1.00 0.00 H new ATOM 987 N HIS A 61 12.205 7.511 -1.017 1.00 0.00 N ATOM 988 CA HIS A 61 11.557 7.116 -2.258 1.00 0.00 C ATOM 989 C HIS A 61 10.853 8.308 -2.900 1.00 0.00 C ATOM 990 O HIS A 61 11.174 8.701 -4.022 1.00 0.00 O ATOM 991 CB HIS A 61 10.553 5.992 -1.999 1.00 0.00 C ATOM 992 CG HIS A 61 10.338 5.098 -3.180 1.00 0.00 C ATOM 993 ND1 HIS A 61 10.971 3.882 -3.329 1.00 0.00 N ATOM 994 CD2 HIS A 61 9.551 5.247 -4.273 1.00 0.00 C ATOM 995 CE1 HIS A 61 10.585 3.323 -4.463 1.00 0.00 C ATOM 996 NE2 HIS A 61 9.723 4.130 -5.053 1.00 0.00 N ATOM 0 H HIS A 61 11.904 8.416 -0.656 1.00 0.00 H new ATOM 0 HA HIS A 61 12.323 6.754 -2.944 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.901 5.392 -1.158 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.598 6.429 -1.706 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.908 6.087 -4.490 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.918 2.368 -4.842 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.260 3.953 -5.944 1.00 0.00 H new ATOM 1005 N ALA A 62 9.894 8.882 -2.178 1.00 0.00 N ATOM 1006 CA ALA A 62 9.147 10.033 -2.674 1.00 0.00 C ATOM 1007 C ALA A 62 8.096 10.485 -1.666 1.00 0.00 C ATOM 1008 O ALA A 62 6.965 9.998 -1.672 1.00 0.00 O ATOM 1009 CB ALA A 62 8.491 9.708 -4.008 1.00 0.00 C ATOM 0 H ALA A 62 9.616 8.569 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 62 9.852 10.851 -2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.938 10.578 -4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.258 9.444 -4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.806 8.869 -3.882 1.00 0.00 H new ATOM 1015 N LYS A 63 8.474 11.425 -0.806 1.00 0.00 N ATOM 1016 CA LYS A 63 7.562 11.951 0.204 1.00 0.00 C ATOM 1017 C LYS A 63 6.787 13.146 -0.346 1.00 0.00 C ATOM 1018 O LYS A 63 6.757 14.215 0.263 1.00 0.00 O ATOM 1019 CB LYS A 63 8.339 12.360 1.457 1.00 0.00 C ATOM 1020 CG LYS A 63 7.476 12.452 2.705 1.00 0.00 C ATOM 1021 CD LYS A 63 7.233 13.896 3.112 1.00 0.00 C ATOM 1022 CE LYS A 63 6.982 14.020 4.606 1.00 0.00 C ATOM 1023 NZ LYS A 63 8.033 13.332 5.406 1.00 0.00 N ATOM 0 H LYS A 63 9.406 11.839 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 63 6.852 11.168 0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.138 11.639 1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.813 13.326 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.521 11.959 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.961 11.919 3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.095 14.503 2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.377 14.290 2.564 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.948 15.074 4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.007 13.596 4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.160 13.828 6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.744 12.350 5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.930 13.338 4.879 1.00 0.00 H new ATOM 1092 N ARG A 68 4.129 19.041 2.593 1.00 0.00 N ATOM 1093 CA ARG A 68 3.861 19.500 3.951 1.00 0.00 C ATOM 1094 C ARG A 68 4.243 18.436 4.969 1.00 0.00 C ATOM 1095 O ARG A 68 5.159 18.621 5.771 1.00 0.00 O ATOM 1096 CB ARG A 68 2.383 19.866 4.106 1.00 0.00 C ATOM 1097 CG ARG A 68 2.115 21.361 4.043 1.00 0.00 C ATOM 1098 CD ARG A 68 0.851 21.735 4.801 1.00 0.00 C ATOM 1099 NE ARG A 68 -0.252 22.062 3.900 1.00 0.00 N ATOM 1100 CZ ARG A 68 -1.532 22.069 4.266 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -1.874 21.767 5.513 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -2.472 22.379 3.384 1.00 0.00 N ATOM 0 HA ARG A 68 4.468 20.386 4.135 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.811 19.370 3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.020 19.480 5.059 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.964 21.901 4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.021 21.671 3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.558 20.908 5.447 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.055 22.588 5.448 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.028 22.299 2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.155 21.528 6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.856 21.774 5.788 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.215 22.612 2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.453 22.384 3.664 1.00 0.00 H new ATOM 1116 N ASN A 69 3.532 17.324 4.923 1.00 0.00 N ATOM 1117 CA ASN A 69 3.777 16.208 5.833 1.00 0.00 C ATOM 1118 C ASN A 69 3.234 14.907 5.251 1.00 0.00 C ATOM 1119 O ASN A 69 2.412 14.922 4.335 1.00 0.00 O ATOM 1120 CB ASN A 69 3.127 16.468 7.196 1.00 0.00 C ATOM 1121 CG ASN A 69 3.368 17.876 7.706 1.00 0.00 C ATOM 1122 OD1 ASN A 69 4.473 18.215 8.128 1.00 0.00 O ATOM 1123 ND2 ASN A 69 2.330 18.704 7.668 1.00 0.00 N ATOM 0 H ASN A 69 2.773 17.164 4.261 1.00 0.00 H new ATOM 0 HA ASN A 69 4.855 16.116 5.964 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.054 16.293 7.120 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.516 15.753 7.921 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.431 19.664 7.997 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.432 18.380 7.310 1.00 0.00 H new ATOM 1130 N VAL A 70 3.691 13.783 5.794 1.00 0.00 N ATOM 1131 CA VAL A 70 3.241 12.477 5.331 1.00 0.00 C ATOM 1132 C VAL A 70 1.958 12.067 6.042 1.00 0.00 C ATOM 1133 O VAL A 70 1.119 11.366 5.479 1.00 0.00 O ATOM 1134 CB VAL A 70 4.317 11.393 5.553 1.00 0.00 C ATOM 1135 CG1 VAL A 70 4.647 11.254 7.029 1.00 0.00 C ATOM 1136 CG2 VAL A 70 3.868 10.057 4.978 1.00 0.00 C ATOM 0 H VAL A 70 4.371 13.751 6.553 1.00 0.00 H new ATOM 0 HA VAL A 70 3.052 12.564 4.261 1.00 0.00 H new ATOM 0 HB VAL A 70 5.220 11.704 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.408 10.484 7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.023 12.204 7.409 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.748 10.974 7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.643 9.309 5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.947 9.741 5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.692 10.162 3.907 1.00 0.00 H new ATOM 1146 N ASP A 71 1.817 12.518 7.283 1.00 0.00 N ATOM 1147 CA ASP A 71 0.639 12.211 8.089 1.00 0.00 C ATOM 1148 C ASP A 71 -0.639 12.547 7.338 1.00 0.00 C ATOM 1149 O ASP A 71 -1.417 11.663 6.978 1.00 0.00 O ATOM 1150 CB ASP A 71 0.685 12.979 9.412 1.00 0.00 C ATOM 1151 CG ASP A 71 0.267 12.124 10.592 1.00 0.00 C ATOM 1152 OD1 ASP A 71 0.452 10.891 10.527 1.00 0.00 O ATOM 1153 OD2 ASP A 71 -0.246 12.688 11.581 1.00 0.00 O ATOM 0 H ASP A 71 2.508 13.101 7.756 1.00 0.00 H new ATOM 0 HA ASP A 71 0.643 11.141 8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.696 13.352 9.577 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.031 13.848 9.347 1.00 0.00 H new ATOM 1158 N VAL A 72 -0.841 13.830 7.101 1.00 0.00 N ATOM 1159 CA VAL A 72 -2.019 14.302 6.384 1.00 0.00 C ATOM 1160 C VAL A 72 -2.152 13.598 5.041 1.00 0.00 C ATOM 1161 O VAL A 72 -3.253 13.447 4.512 1.00 0.00 O ATOM 1162 CB VAL A 72 -1.973 15.825 6.157 1.00 0.00 C ATOM 1163 CG1 VAL A 72 -3.300 16.326 5.612 1.00 0.00 C ATOM 1164 CG2 VAL A 72 -1.610 16.547 7.446 1.00 0.00 C ATOM 0 H VAL A 72 -0.203 14.570 7.395 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.885 14.069 7.004 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.201 16.039 5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.247 17.404 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.512 15.834 4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.094 16.100 6.323 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.582 17.622 7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.356 16.326 8.209 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.631 16.211 7.788 1.00 0.00 H new ATOM 1174 N HIS A 73 -1.024 13.154 4.506 1.00 0.00 N ATOM 1175 CA HIS A 73 -1.012 12.447 3.235 1.00 0.00 C ATOM 1176 C HIS A 73 -1.549 11.032 3.416 1.00 0.00 C ATOM 1177 O HIS A 73 -2.017 10.407 2.464 1.00 0.00 O ATOM 1178 CB HIS A 73 0.403 12.409 2.654 1.00 0.00 C ATOM 1179 CG HIS A 73 0.625 13.412 1.565 1.00 0.00 C ATOM 1180 ND1 HIS A 73 -0.023 14.628 1.519 1.00 0.00 N ATOM 1181 CD2 HIS A 73 1.428 13.375 0.475 1.00 0.00 C ATOM 1182 CE1 HIS A 73 0.369 15.295 0.448 1.00 0.00 C ATOM 1183 NE2 HIS A 73 1.250 14.557 -0.202 1.00 0.00 N ATOM 0 H HIS A 73 -0.105 13.271 4.933 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.656 12.980 2.536 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.121 12.587 3.454 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.601 11.411 2.264 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.086 12.567 0.191 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.027 16.276 0.154 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.722 14.822 -1.067 1.00 0.00 H new ATOM 1192 N ILE A 74 -1.488 10.537 4.649 1.00 0.00 N ATOM 1193 CA ILE A 74 -1.978 9.202 4.961 1.00 0.00 C ATOM 1194 C ILE A 74 -3.496 9.153 4.869 1.00 0.00 C ATOM 1195 O ILE A 74 -4.076 8.136 4.488 1.00 0.00 O ATOM 1196 CB ILE A 74 -1.554 8.753 6.374 1.00 0.00 C ATOM 1197 CG1 ILE A 74 -0.059 8.989 6.600 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -1.899 7.288 6.587 1.00 0.00 C ATOM 1199 CD1 ILE A 74 0.811 8.589 5.428 1.00 0.00 C ATOM 0 H ILE A 74 -1.104 11.042 5.447 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.538 8.525 4.229 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.103 9.352 7.100 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.103 10.045 6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.257 8.431 7.481 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.594 6.984 7.588 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.974 7.148 6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.376 6.680 5.849 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.856 8.787 5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.680 7.526 5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.524 9.165 4.548 1.00 0.00 H new ATOM 1211 N ALA A 75 -4.129 10.261 5.225 1.00 0.00 N ATOM 1212 CA ALA A 75 -5.582 10.357 5.192 1.00 0.00 C ATOM 1213 C ALA A 75 -6.101 10.363 3.763 1.00 0.00 C ATOM 1214 O ALA A 75 -7.197 9.876 3.486 1.00 0.00 O ATOM 1215 CB ALA A 75 -6.050 11.598 5.935 1.00 0.00 C ATOM 0 H ALA A 75 -3.658 11.109 5.541 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.988 9.477 5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.138 11.654 5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.722 11.546 6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.626 12.485 5.465 1.00 0.00 H new ATOM 1221 N SER A 76 -5.304 10.908 2.858 1.00 0.00 N ATOM 1222 CA SER A 76 -5.679 10.970 1.452 1.00 0.00 C ATOM 1223 C SER A 76 -5.583 9.592 0.816 1.00 0.00 C ATOM 1224 O SER A 76 -6.310 9.278 -0.127 1.00 0.00 O ATOM 1225 CB SER A 76 -4.791 11.965 0.701 1.00 0.00 C ATOM 1226 OG SER A 76 -5.522 13.121 0.330 1.00 0.00 O ATOM 0 H SER A 76 -4.393 11.314 3.071 1.00 0.00 H new ATOM 0 HA SER A 76 -6.712 11.312 1.387 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.947 12.250 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.379 11.490 -0.189 1.00 0.00 H new ATOM 0 HG SER A 76 -4.932 13.742 -0.147 1.00 0.00 H new ATOM 1232 N LEU A 77 -4.689 8.771 1.347 1.00 0.00 N ATOM 1233 CA LEU A 77 -4.506 7.421 0.843 1.00 0.00 C ATOM 1234 C LEU A 77 -5.726 6.572 1.159 1.00 0.00 C ATOM 1235 O LEU A 77 -6.102 5.688 0.390 1.00 0.00 O ATOM 1236 CB LEU A 77 -3.257 6.784 1.449 1.00 0.00 C ATOM 1237 CG LEU A 77 -2.997 5.343 1.011 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -2.768 5.281 -0.491 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.809 4.762 1.762 1.00 0.00 C ATOM 0 H LEU A 77 -4.080 9.018 2.127 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.380 7.474 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.391 7.391 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.344 6.809 2.535 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.875 4.743 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.584 4.249 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.650 5.656 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.905 5.893 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.640 3.736 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.921 5.359 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.014 4.774 2.832 1.00 0.00 H new ATOM 1251 N ARG A 78 -6.341 6.857 2.296 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.527 6.132 2.728 1.00 0.00 C ATOM 1253 C ARG A 78 -8.708 6.422 1.806 1.00 0.00 C ATOM 1254 O ARG A 78 -9.695 5.686 1.799 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.882 6.507 4.170 1.00 0.00 C ATOM 1256 CG ARG A 78 -8.061 5.307 5.085 1.00 0.00 C ATOM 1257 CD ARG A 78 -8.041 5.714 6.551 1.00 0.00 C ATOM 1258 NE ARG A 78 -9.138 5.108 7.303 1.00 0.00 N ATOM 1259 CZ ARG A 78 -10.415 5.458 7.163 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -10.760 6.407 6.303 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -11.349 4.856 7.886 1.00 0.00 N ATOM 0 H ARG A 78 -6.037 7.588 2.939 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.309 5.065 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.097 7.147 4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.802 7.092 4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.005 4.812 4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.268 4.583 4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.090 5.420 6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.106 6.799 6.627 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.912 4.374 7.974 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.045 6.873 5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.740 6.671 6.200 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.089 4.126 8.549 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.328 5.123 7.780 1.00 0.00 H new ATOM 1275 N LYS A 79 -8.606 7.499 1.031 1.00 0.00 N ATOM 1276 CA LYS A 79 -9.673 7.877 0.113 1.00 0.00 C ATOM 1277 C LYS A 79 -9.493 7.218 -1.247 1.00 0.00 C ATOM 1278 O LYS A 79 -10.464 6.831 -1.896 1.00 0.00 O ATOM 1279 CB LYS A 79 -9.730 9.399 -0.042 1.00 0.00 C ATOM 1280 CG LYS A 79 -10.893 10.043 0.694 1.00 0.00 C ATOM 1281 CD LYS A 79 -11.446 11.234 -0.072 1.00 0.00 C ATOM 1282 CE LYS A 79 -12.633 11.855 0.646 1.00 0.00 C ATOM 1283 NZ LYS A 79 -12.367 12.042 2.099 1.00 0.00 N ATOM 0 H LYS A 79 -7.798 8.122 1.021 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.615 7.527 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.797 9.828 0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.800 9.645 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.683 9.307 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.566 10.365 1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.663 11.982 -0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.748 10.918 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.868 12.818 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.509 11.219 0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.087 12.673 2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.403 11.121 2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.425 12.463 2.228 1.00 0.00 H new ATOM 1297 N LYS A 80 -8.246 7.097 -1.669 1.00 0.00 N ATOM 1298 CA LYS A 80 -7.932 6.488 -2.950 1.00 0.00 C ATOM 1299 C LYS A 80 -7.725 4.989 -2.805 1.00 0.00 C ATOM 1300 O LYS A 80 -8.309 4.191 -3.539 1.00 0.00 O ATOM 1301 CB LYS A 80 -6.688 7.135 -3.558 1.00 0.00 C ATOM 1302 CG LYS A 80 -6.754 8.653 -3.608 1.00 0.00 C ATOM 1303 CD LYS A 80 -7.380 9.141 -4.905 1.00 0.00 C ATOM 1304 CE LYS A 80 -6.949 10.562 -5.236 1.00 0.00 C ATOM 1305 NZ LYS A 80 -6.280 10.645 -6.563 1.00 0.00 N ATOM 0 H LYS A 80 -7.432 7.413 -1.141 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.778 6.653 -3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.814 6.837 -2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.547 6.752 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.334 9.021 -2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.750 9.065 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.096 8.475 -5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.466 9.099 -4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.820 11.217 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.270 10.924 -4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.626 11.482 -7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.252 10.722 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.494 9.789 -7.114 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.891 4.619 -1.850 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.594 3.214 -1.589 1.00 0.00 C ATOM 1321 C LEU A 81 -7.853 2.460 -1.170 1.00 0.00 C ATOM 1322 O LEU A 81 -8.281 1.525 -1.846 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.520 3.094 -0.503 1.00 0.00 C ATOM 1324 CG LEU A 81 -4.998 1.677 -0.238 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -4.870 0.888 -1.530 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -3.659 1.732 0.482 1.00 0.00 C ATOM 0 H LEU A 81 -6.403 5.272 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.219 2.767 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.677 3.726 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.924 3.492 0.428 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.720 1.166 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.498 -0.113 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.846 0.815 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.174 1.395 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.301 0.718 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.936 2.267 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.779 2.250 1.434 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.446 2.876 -0.054 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.654 2.229 0.429 1.00 0.00 C ATOM 1340 C GLY A 82 -9.413 1.387 1.668 1.00 0.00 C ATOM 1341 O GLY A 82 -8.720 1.813 2.591 1.00 0.00 O ATOM 0 H GLY A 82 -8.112 3.648 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.404 2.988 0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.063 1.598 -0.360 1.00 0.00 H new ATOM 1345 N ALA A 83 -9.989 0.188 1.686 1.00 0.00 N ATOM 1346 CA ALA A 83 -9.837 -0.719 2.819 1.00 0.00 C ATOM 1347 C ALA A 83 -8.370 -1.056 3.072 1.00 0.00 C ATOM 1348 O ALA A 83 -8.005 -1.501 4.160 1.00 0.00 O ATOM 1349 CB ALA A 83 -10.639 -1.991 2.586 1.00 0.00 C ATOM 0 H ALA A 83 -10.565 -0.178 0.928 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.220 -0.214 3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.517 -2.659 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -11.693 -1.740 2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.282 -2.486 1.683 1.00 0.00 H new ATOM 1355 N TYR A 84 -7.534 -0.836 2.064 1.00 0.00 N ATOM 1356 CA TYR A 84 -6.109 -1.109 2.177 1.00 0.00 C ATOM 1357 C TYR A 84 -5.370 0.113 2.714 1.00 0.00 C ATOM 1358 O TYR A 84 -4.279 -0.006 3.269 1.00 0.00 O ATOM 1359 CB TYR A 84 -5.536 -1.516 0.817 1.00 0.00 C ATOM 1360 CG TYR A 84 -4.626 -2.722 0.878 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -3.581 -2.780 1.790 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -4.812 -3.800 0.022 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -2.745 -3.879 1.848 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -3.981 -4.903 0.074 1.00 0.00 C ATOM 1365 CZ TYR A 84 -2.949 -4.938 0.989 1.00 0.00 C ATOM 1366 OH TYR A 84 -2.116 -6.034 1.045 1.00 0.00 O ATOM 0 H TYR A 84 -7.821 -0.468 1.157 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.972 -1.933 2.877 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.359 -1.727 0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.983 -0.675 0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.419 -1.953 2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.619 -3.776 -0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.936 -3.908 2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.139 -5.733 -0.598 1.00 0.00 H new ATOM 0 HH TYR A 84 -2.395 -6.692 0.375 1.00 0.00 H new ATOM 1376 N GLY A 85 -5.973 1.287 2.552 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.356 2.504 3.038 1.00 0.00 C ATOM 1378 C GLY A 85 -5.458 2.610 4.537 1.00 0.00 C ATOM 1379 O GLY A 85 -4.579 3.166 5.188 1.00 0.00 O ATOM 0 H GLY A 85 -6.875 1.415 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.308 2.526 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.837 3.367 2.577 1.00 0.00 H new ATOM 1383 N SER A 86 -6.533 2.059 5.085 1.00 0.00 N ATOM 1384 CA SER A 86 -6.745 2.074 6.522 1.00 0.00 C ATOM 1385 C SER A 86 -5.771 1.124 7.213 1.00 0.00 C ATOM 1386 O SER A 86 -5.646 1.135 8.437 1.00 0.00 O ATOM 1387 CB SER A 86 -8.187 1.682 6.852 1.00 0.00 C ATOM 1388 OG SER A 86 -8.797 1.012 5.762 1.00 0.00 O ATOM 0 H SER A 86 -7.271 1.596 4.554 1.00 0.00 H new ATOM 0 HA SER A 86 -6.565 3.085 6.887 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.200 1.038 7.731 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.761 2.574 7.102 1.00 0.00 H new ATOM 0 HG SER A 86 -8.261 0.228 5.518 1.00 0.00 H new ATOM 1394 N ARG A 87 -5.080 0.298 6.422 1.00 0.00 N ATOM 1395 CA ARG A 87 -4.120 -0.654 6.973 1.00 0.00 C ATOM 1396 C ARG A 87 -3.149 0.031 7.931 1.00 0.00 C ATOM 1397 O ARG A 87 -2.631 -0.598 8.853 1.00 0.00 O ATOM 1398 CB ARG A 87 -3.349 -1.350 5.854 1.00 0.00 C ATOM 1399 CG ARG A 87 -3.116 -2.827 6.120 1.00 0.00 C ATOM 1400 CD ARG A 87 -3.910 -3.700 5.161 1.00 0.00 C ATOM 1401 NE ARG A 87 -5.254 -3.978 5.662 1.00 0.00 N ATOM 1402 CZ ARG A 87 -6.266 -4.373 4.893 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -6.091 -4.543 3.588 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -7.457 -4.601 5.430 1.00 0.00 N ATOM 0 H ARG A 87 -5.168 0.271 5.406 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.681 -1.402 7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.897 -1.238 4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.387 -0.855 5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.054 -3.052 6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.399 -3.062 7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.979 -3.205 4.192 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.380 -4.639 5.002 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.427 -3.862 6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.177 -4.371 3.169 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.871 -4.846 3.004 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.597 -4.474 6.432 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.233 -4.904 4.841 1.00 0.00 H new ATOM 1418 N ILE A 88 -2.913 1.325 7.720 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.012 2.074 8.591 1.00 0.00 C ATOM 1420 C ILE A 88 -2.661 2.298 9.953 1.00 0.00 C ATOM 1421 O ILE A 88 -3.069 3.411 10.283 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.601 3.447 7.999 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -2.625 3.955 6.983 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.219 3.371 7.366 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -3.999 4.185 7.576 1.00 0.00 C ATOM 0 H ILE A 88 -3.327 1.870 6.964 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.109 1.471 8.690 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.570 4.159 8.824 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.264 4.888 6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.705 3.235 6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.048 4.346 6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.512 3.081 8.121 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.226 2.631 6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.675 4.545 6.800 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.380 3.249 7.984 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.932 4.927 8.371 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.762 1.229 10.738 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.371 1.311 12.060 1.00 0.00 C ATOM 1439 C VAL A 89 -2.440 1.989 13.059 1.00 0.00 C ATOM 1440 O VAL A 89 -1.647 1.330 13.731 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.750 -0.086 12.589 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.523 0.026 13.895 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.556 -0.850 11.549 1.00 0.00 C ATOM 0 H VAL A 89 -2.431 0.299 10.482 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.276 1.910 11.954 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.832 -0.640 12.784 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.781 -0.971 14.252 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.907 0.530 14.640 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.435 0.600 13.730 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.815 -1.834 11.940 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.468 -0.300 11.319 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.963 -0.965 10.641 1.00 0.00 H new ATOM 1453 N THR A 90 -2.546 3.311 13.154 1.00 0.00 N ATOM 1454 CA THR A 90 -1.718 4.081 14.074 1.00 0.00 C ATOM 1455 C THR A 90 -2.279 4.014 15.490 1.00 0.00 C ATOM 1456 O THR A 90 -3.292 4.642 15.798 1.00 0.00 O ATOM 1457 CB THR A 90 -1.628 5.538 13.617 1.00 0.00 C ATOM 1458 OG1 THR A 90 -0.998 6.335 14.604 1.00 0.00 O ATOM 1459 CG2 THR A 90 -2.976 6.156 13.319 1.00 0.00 C ATOM 0 H THR A 90 -3.198 3.871 12.604 1.00 0.00 H new ATOM 0 HA THR A 90 -0.718 3.647 14.075 1.00 0.00 H new ATOM 0 HB THR A 90 -1.045 5.516 12.696 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.948 7.263 14.293 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.840 7.189 13.000 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.467 5.593 12.525 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.594 6.131 14.217 1.00 0.00 H new ATOM 1467 N LEU A 91 -1.616 3.245 16.348 1.00 0.00 N ATOM 1468 CA LEU A 91 -2.051 3.092 17.731 1.00 0.00 C ATOM 1469 C LEU A 91 -1.381 4.124 18.633 1.00 0.00 C ATOM 1470 O LEU A 91 -0.185 4.389 18.508 1.00 0.00 O ATOM 1471 CB LEU A 91 -1.741 1.677 18.227 1.00 0.00 C ATOM 1472 CG LEU A 91 -2.964 0.782 18.435 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -3.190 -0.105 17.221 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -2.801 -0.062 19.691 1.00 0.00 C ATOM 0 H LEU A 91 -0.776 2.718 16.109 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.128 3.256 17.769 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.075 1.195 17.511 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.198 1.749 19.169 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.839 1.420 18.561 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.064 -0.734 17.388 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.353 0.517 16.341 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.315 -0.735 17.062 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.681 -0.692 19.823 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.916 -0.690 19.595 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.690 0.591 20.556 1.00 0.00 H new ATOM 1486 N ARG A 92 -2.160 4.701 19.543 1.00 0.00 N ATOM 1487 CA ARG A 92 -1.642 5.702 20.469 1.00 0.00 C ATOM 1488 C ARG A 92 -0.915 5.037 21.634 1.00 0.00 C ATOM 1489 O ARG A 92 -1.439 4.961 22.745 1.00 0.00 O ATOM 1490 CB ARG A 92 -2.782 6.581 20.992 1.00 0.00 C ATOM 1491 CG ARG A 92 -2.802 7.975 20.385 1.00 0.00 C ATOM 1492 CD ARG A 92 -2.979 9.046 21.450 1.00 0.00 C ATOM 1493 NE ARG A 92 -2.254 10.271 21.120 1.00 0.00 N ATOM 1494 CZ ARG A 92 -1.934 11.207 22.011 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -2.273 11.062 23.287 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -1.274 12.290 21.626 1.00 0.00 N ATOM 0 H ARG A 92 -3.152 4.493 19.659 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.930 6.328 19.932 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.733 6.090 20.785 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.696 6.666 22.075 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.873 8.150 19.843 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.612 8.045 19.659 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.039 9.272 21.564 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.629 8.665 22.409 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.977 10.418 20.149 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.781 10.230 23.588 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.025 11.782 23.966 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.011 12.406 20.647 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.029 13.007 22.308 1.00 0.00 H new ATOM 1510 N GLY A 93 0.295 4.556 21.370 1.00 0.00 N ATOM 1511 CA GLY A 93 1.076 3.902 22.404 1.00 0.00 C ATOM 1512 C GLY A 93 2.096 2.937 21.835 1.00 0.00 C ATOM 1513 O GLY A 93 3.168 2.748 22.409 1.00 0.00 O ATOM 0 H GLY A 93 0.749 4.607 20.458 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.588 4.657 23.001 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.407 3.364 23.076 1.00 0.00 H new ATOM 1517 N VAL A 94 1.762 2.326 20.704 1.00 0.00 N ATOM 1518 CA VAL A 94 2.658 1.376 20.058 1.00 0.00 C ATOM 1519 C VAL A 94 3.195 1.932 18.742 1.00 0.00 C ATOM 1520 O VAL A 94 4.300 1.593 18.320 1.00 0.00 O ATOM 1521 CB VAL A 94 1.955 0.029 19.794 1.00 0.00 C ATOM 1522 CG1 VAL A 94 0.772 0.210 18.853 1.00 0.00 C ATOM 1523 CG2 VAL A 94 2.941 -0.988 19.239 1.00 0.00 C ATOM 0 H VAL A 94 0.878 2.472 20.216 1.00 0.00 H new ATOM 0 HA VAL A 94 3.491 1.210 20.741 1.00 0.00 H new ATOM 0 HB VAL A 94 1.573 -0.349 20.742 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.292 -0.754 18.682 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.054 0.898 19.299 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.121 0.615 17.903 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.427 -1.932 19.059 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.358 -0.617 18.302 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.746 -1.144 19.957 1.00 0.00 H new ATOM 1533 N GLY A 95 2.408 2.792 18.101 1.00 0.00 N ATOM 1534 CA GLY A 95 2.828 3.383 16.843 1.00 0.00 C ATOM 1535 C GLY A 95 2.039 2.862 15.659 1.00 0.00 C ATOM 1536 O GLY A 95 0.924 2.364 15.816 1.00 0.00 O ATOM 0 H GLY A 95 1.489 3.089 18.430 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.717 4.466 16.900 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.887 3.179 16.686 1.00 0.00 H new ATOM 1540 N TYR A 96 2.621 2.978 14.470 1.00 0.00 N ATOM 1541 CA TYR A 96 1.969 2.517 13.249 1.00 0.00 C ATOM 1542 C TYR A 96 1.900 0.994 13.217 1.00 0.00 C ATOM 1543 O TYR A 96 2.903 0.313 13.431 1.00 0.00 O ATOM 1544 CB TYR A 96 2.724 3.033 12.022 1.00 0.00 C ATOM 1545 CG TYR A 96 2.126 4.287 11.424 1.00 0.00 C ATOM 1546 CD1 TYR A 96 0.806 4.313 10.992 1.00 0.00 C ATOM 1547 CD2 TYR A 96 2.882 5.445 11.292 1.00 0.00 C ATOM 1548 CE1 TYR A 96 0.256 5.457 10.445 1.00 0.00 C ATOM 1549 CE2 TYR A 96 2.340 6.593 10.747 1.00 0.00 C ATOM 1550 CZ TYR A 96 1.027 6.594 10.325 1.00 0.00 C ATOM 1551 OH TYR A 96 0.484 7.735 9.781 1.00 0.00 O ATOM 0 H TYR A 96 3.544 3.388 14.326 1.00 0.00 H new ATOM 0 HA TYR A 96 0.952 2.910 13.233 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.759 3.231 12.300 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.742 2.252 11.262 1.00 0.00 H new ATOM 0 HD1 TYR A 96 0.199 3.424 11.085 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.911 5.448 11.621 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -0.772 5.460 10.113 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.941 7.485 10.652 1.00 0.00 H new ATOM 0 HH TYR A 96 1.159 8.445 9.769 1.00 0.00 H new ATOM 1561 N LEU A 97 0.710 0.464 12.949 1.00 0.00 N ATOM 1562 CA LEU A 97 0.517 -0.980 12.892 1.00 0.00 C ATOM 1563 C LEU A 97 -0.093 -1.400 11.566 1.00 0.00 C ATOM 1564 O LEU A 97 -1.105 -0.848 11.132 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.382 -1.450 14.037 1.00 0.00 C ATOM 1566 CG LEU A 97 -0.650 -2.959 14.090 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -1.733 -3.350 13.094 1.00 0.00 C ATOM 1568 CD2 LEU A 97 0.629 -3.743 13.827 1.00 0.00 C ATOM 0 H LEU A 97 -0.132 1.011 12.769 1.00 0.00 H new ATOM 0 HA LEU A 97 1.498 -1.445 12.990 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.072 -1.146 14.980 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.338 -0.931 13.962 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.002 -3.206 15.091 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.907 -4.425 13.149 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.655 -2.821 13.333 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.413 -3.085 12.086 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.416 -4.811 13.869 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.015 -3.489 12.840 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.372 -3.491 14.583 1.00 0.00 H new ATOM 1580 N PHE A 98 0.517 -2.392 10.936 1.00 0.00 N ATOM 1581 CA PHE A 98 0.020 -2.900 9.670 1.00 0.00 C ATOM 1582 C PHE A 98 -0.856 -4.124 9.910 1.00 0.00 C ATOM 1583 O PHE A 98 -0.363 -5.229 10.119 1.00 0.00 O ATOM 1584 CB PHE A 98 1.184 -3.237 8.733 1.00 0.00 C ATOM 1585 CG PHE A 98 2.230 -2.158 8.650 1.00 0.00 C ATOM 1586 CD1 PHE A 98 1.905 -0.832 8.895 1.00 0.00 C ATOM 1587 CD2 PHE A 98 3.541 -2.472 8.327 1.00 0.00 C ATOM 1588 CE1 PHE A 98 2.867 0.158 8.820 1.00 0.00 C ATOM 1589 CE2 PHE A 98 4.506 -1.486 8.250 1.00 0.00 C ATOM 1590 CZ PHE A 98 4.169 -0.170 8.497 1.00 0.00 C ATOM 0 H PHE A 98 1.355 -2.860 11.281 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.584 -2.129 9.192 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.654 -4.160 9.071 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.791 -3.426 7.734 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.888 -0.570 9.147 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.811 -3.500 8.133 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.601 1.187 9.014 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.524 -1.745 7.997 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.922 0.602 8.438 1.00 0.00 H new ATOM 1600 N SER A 99 -2.164 -3.905 9.904 1.00 0.00 N ATOM 1601 CA SER A 99 -3.140 -4.971 10.140 1.00 0.00 C ATOM 1602 C SER A 99 -2.727 -6.281 9.468 1.00 0.00 C ATOM 1603 O SER A 99 -2.103 -6.283 8.406 1.00 0.00 O ATOM 1604 CB SER A 99 -4.518 -4.541 9.635 1.00 0.00 C ATOM 1605 OG SER A 99 -5.387 -5.653 9.509 1.00 0.00 O ATOM 0 H SER A 99 -2.581 -2.989 9.737 1.00 0.00 H new ATOM 0 HA SER A 99 -3.181 -5.147 11.215 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.950 -3.815 10.323 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.416 -4.045 8.670 1.00 0.00 H new ATOM 0 HG SER A 99 -6.261 -5.350 9.186 1.00 0.00 H new