USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 815 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 22 CYS SG : rot -31:sc= -2.69 USER MOD Set 1.2: A 78 MET CE :methyl 159:sc= -1.45 (180deg=-0.127) USER MOD Set 2.1: A 14 LYS NZ :NH3+ 161:sc= -1.5 (180deg=-2.04!) USER MOD Set 2.2: A 88 SER OG : rot 70:sc= -1.01 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 6 MET CE :methyl -165:sc= -0.181 (180deg=-0.576) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.261 K(o=-0.26,f=-2.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -100:sc= -0.0767 USER MOD Single : A 35 LYS NZ :NH3+ -138:sc= 0.562 (180deg=-2.08!) USER MOD Single : A 37 GLN : amide:sc= -0.131 K(o=-0.13,f=-3.2!) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.173 F(o=-0.74,f=-0.17) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 86:sc= 0.18 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 54 SER OG : rot -96:sc= 0.256 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= -1.26 (180deg=-1.65) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 136:sc= 0.706 (180deg=0.0214) USER MOD Single : A 89 ASN : amide:sc= 0.325 K(o=0.33,f=-4.4!) USER MOD Single : A 90 ASN : amide:sc= 0.35 X(o=0.35,f=0) USER MOD Single : A 93 MET CE :methyl -139:sc= -0.745 (180deg=-1.46!) USER MOD Single : A 98 LYS NZ :NH3+ -156:sc= 0.191 (180deg=0.0495) USER MOD Single : A 99 HIS : no HD1:sc= -0.0463 X(o=-0.046,f=-0.046) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 104 SER OG : rot 73:sc= 0.229 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.401 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 4 14.827 7.383 11.776 1.00 0.00 N ATOM 2 CA SER A 4 13.901 6.494 11.055 1.00 0.00 C ATOM 3 C SER A 4 13.925 5.110 11.726 1.00 0.00 C ATOM 4 O SER A 4 14.957 4.422 11.691 1.00 0.00 O ATOM 5 CB SER A 4 14.308 6.409 9.563 1.00 0.00 C ATOM 6 OG SER A 4 13.367 5.684 8.782 1.00 0.00 O ATOM 0 HA SER A 4 12.885 6.887 11.097 1.00 0.00 H new ATOM 0 HB2 SER A 4 14.410 7.416 9.160 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.285 5.933 9.483 1.00 0.00 H new ATOM 0 HG SER A 4 13.666 5.659 7.849 1.00 0.00 H new ATOM 12 N HIS A 5 12.802 4.726 12.364 1.00 0.00 N ATOM 13 CA HIS A 5 12.697 3.448 13.086 1.00 0.00 C ATOM 14 C HIS A 5 12.769 2.263 12.103 1.00 0.00 C ATOM 15 O HIS A 5 11.792 1.946 11.407 1.00 0.00 O ATOM 16 CB HIS A 5 11.398 3.387 13.925 1.00 0.00 C ATOM 17 CG HIS A 5 11.196 2.061 14.633 1.00 0.00 C ATOM 18 ND1 HIS A 5 10.411 1.051 14.116 1.00 0.00 N ATOM 19 CD2 HIS A 5 11.697 1.578 15.793 1.00 0.00 C ATOM 20 CE1 HIS A 5 10.438 0.014 14.925 1.00 0.00 C ATOM 21 NE2 HIS A 5 11.214 0.300 15.955 1.00 0.00 N ATOM 0 H HIS A 5 11.951 5.288 12.392 1.00 0.00 H new ATOM 0 HA HIS A 5 13.541 3.378 13.772 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.416 4.186 14.666 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.545 3.575 13.273 1.00 0.00 H new ATOM 0 HD2 HIS A 5 12.357 2.101 16.470 1.00 0.00 H new ATOM 0 HE1 HIS A 5 9.913 -0.917 14.772 1.00 0.00 H new ATOM 0 HE2 HIS A 5 11.420 -0.321 16.737 1.00 0.00 H new ATOM 30 N MET A 6 13.950 1.644 12.036 1.00 0.00 N ATOM 31 CA MET A 6 14.191 0.467 11.210 1.00 0.00 C ATOM 32 C MET A 6 14.071 -0.771 12.112 1.00 0.00 C ATOM 33 O MET A 6 15.055 -1.203 12.731 1.00 0.00 O ATOM 34 CB MET A 6 15.590 0.568 10.538 1.00 0.00 C ATOM 35 CG MET A 6 15.826 -0.411 9.373 1.00 0.00 C ATOM 36 SD MET A 6 17.508 -0.339 8.711 1.00 0.00 S ATOM 37 CE MET A 6 17.687 1.408 8.345 1.00 0.00 C ATOM 0 H MET A 6 14.770 1.951 12.559 1.00 0.00 H new ATOM 0 HA MET A 6 13.459 0.393 10.405 1.00 0.00 H new ATOM 0 HB2 MET A 6 15.727 1.585 10.171 1.00 0.00 H new ATOM 0 HB3 MET A 6 16.354 0.397 11.297 1.00 0.00 H new ATOM 0 HG2 MET A 6 15.619 -1.426 9.712 1.00 0.00 H new ATOM 0 HG3 MET A 6 15.118 -0.192 8.574 1.00 0.00 H new ATOM 0 HE1 MET A 6 18.551 1.557 7.697 1.00 0.00 H new ATOM 0 HE2 MET A 6 16.790 1.768 7.842 1.00 0.00 H new ATOM 0 HE3 MET A 6 17.830 1.961 9.273 1.00 0.00 H new ATOM 47 N GLY A 7 12.829 -1.269 12.249 1.00 0.00 N ATOM 48 CA GLY A 7 12.534 -2.457 13.051 1.00 0.00 C ATOM 49 C GLY A 7 13.202 -3.714 12.511 1.00 0.00 C ATOM 50 O GLY A 7 13.761 -4.512 13.266 1.00 0.00 O ATOM 0 H GLY A 7 12.008 -0.857 11.806 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.863 -2.288 14.076 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.455 -2.609 13.083 1.00 0.00 H new ATOM 54 N GLY A 8 13.150 -3.854 11.184 1.00 0.00 N ATOM 55 CA GLY A 8 13.752 -4.974 10.476 1.00 0.00 C ATOM 56 C GLY A 8 13.692 -4.776 8.976 1.00 0.00 C ATOM 57 O GLY A 8 12.971 -3.890 8.489 1.00 0.00 O ATOM 0 H GLY A 8 12.684 -3.185 10.571 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.790 -5.088 10.788 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.235 -5.896 10.744 1.00 0.00 H new ATOM 61 N GLU A 9 14.458 -5.594 8.237 1.00 0.00 N ATOM 62 CA GLU A 9 14.447 -5.596 6.769 1.00 0.00 C ATOM 63 C GLU A 9 13.098 -6.138 6.258 1.00 0.00 C ATOM 64 O GLU A 9 12.847 -7.352 6.243 1.00 0.00 O ATOM 65 CB GLU A 9 15.634 -6.412 6.190 1.00 0.00 C ATOM 66 CG GLU A 9 15.621 -6.528 4.645 1.00 0.00 C ATOM 67 CD GLU A 9 16.827 -7.283 4.055 1.00 0.00 C ATOM 68 OE1 GLU A 9 17.014 -8.472 4.386 1.00 0.00 O ATOM 69 OE2 GLU A 9 17.589 -6.693 3.259 1.00 0.00 O ATOM 0 H GLU A 9 15.102 -6.273 8.643 1.00 0.00 H new ATOM 0 HA GLU A 9 14.568 -4.570 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.569 -5.946 6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.618 -7.413 6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.705 -7.034 4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.590 -5.526 4.217 1.00 0.00 H new ATOM 76 N GLY A 10 12.224 -5.196 5.916 1.00 0.00 N ATOM 77 CA GLY A 10 10.944 -5.465 5.292 1.00 0.00 C ATOM 78 C GLY A 10 10.551 -4.251 4.483 1.00 0.00 C ATOM 79 O GLY A 10 10.122 -3.247 5.054 1.00 0.00 O ATOM 0 H GLY A 10 12.396 -4.203 6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.010 -6.344 4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.189 -5.679 6.049 1.00 0.00 H new ATOM 83 N PHE A 11 10.761 -4.322 3.166 1.00 0.00 N ATOM 84 CA PHE A 11 10.592 -3.174 2.259 1.00 0.00 C ATOM 85 C PHE A 11 9.111 -2.995 1.893 1.00 0.00 C ATOM 86 O PHE A 11 8.698 -3.251 0.771 1.00 0.00 O ATOM 87 CB PHE A 11 11.474 -3.373 0.997 1.00 0.00 C ATOM 88 CG PHE A 11 12.932 -3.713 1.292 1.00 0.00 C ATOM 89 CD1 PHE A 11 13.719 -2.849 2.050 1.00 0.00 C ATOM 90 CD2 PHE A 11 13.518 -4.891 0.814 1.00 0.00 C ATOM 91 CE1 PHE A 11 15.036 -3.148 2.320 1.00 0.00 C ATOM 92 CE2 PHE A 11 14.839 -5.184 1.086 1.00 0.00 C ATOM 93 CZ PHE A 11 15.597 -4.310 1.839 1.00 0.00 C ATOM 0 H PHE A 11 11.054 -5.177 2.693 1.00 0.00 H new ATOM 0 HA PHE A 11 10.916 -2.262 2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.044 -4.170 0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.440 -2.463 0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.291 -1.933 2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.929 -5.579 0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.631 -2.468 2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.279 -6.096 0.710 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.631 -4.538 2.051 1.00 0.00 H new ATOM 103 N VAL A 12 8.318 -2.592 2.886 1.00 0.00 N ATOM 104 CA VAL A 12 6.875 -2.368 2.761 1.00 0.00 C ATOM 105 C VAL A 12 6.584 -0.949 3.258 1.00 0.00 C ATOM 106 O VAL A 12 7.132 -0.535 4.278 1.00 0.00 O ATOM 107 CB VAL A 12 6.043 -3.407 3.617 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.520 -3.200 3.432 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.457 -4.866 3.294 1.00 0.00 C ATOM 0 H VAL A 12 8.670 -2.407 3.825 1.00 0.00 H new ATOM 0 HA VAL A 12 6.580 -2.496 1.719 1.00 0.00 H new ATOM 0 HB VAL A 12 6.274 -3.225 4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.978 -3.930 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.248 -2.194 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.260 -3.331 2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.867 -5.554 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.281 -5.069 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.515 -5.002 3.518 1.00 0.00 H new ATOM 119 N VAL A 13 5.780 -0.194 2.514 1.00 0.00 N ATOM 120 CA VAL A 13 5.299 1.130 2.943 1.00 0.00 C ATOM 121 C VAL A 13 3.809 1.074 3.316 1.00 0.00 C ATOM 122 O VAL A 13 3.081 0.160 2.906 1.00 0.00 O ATOM 123 CB VAL A 13 5.562 2.218 1.832 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.078 2.413 1.596 1.00 0.00 C ATOM 125 CG2 VAL A 13 4.844 1.875 0.505 1.00 0.00 C ATOM 0 H VAL A 13 5.440 -0.477 1.595 1.00 0.00 H new ATOM 0 HA VAL A 13 5.860 1.420 3.831 1.00 0.00 H new ATOM 0 HB VAL A 13 5.145 3.156 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.232 3.168 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.552 2.738 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.520 1.470 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.052 2.650 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.204 0.915 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.769 1.817 0.677 1.00 0.00 H new ATOM 135 N LYS A 14 3.379 2.078 4.090 1.00 0.00 N ATOM 136 CA LYS A 14 2.006 2.252 4.553 1.00 0.00 C ATOM 137 C LYS A 14 1.434 3.456 3.815 1.00 0.00 C ATOM 138 O LYS A 14 1.901 4.583 3.981 1.00 0.00 O ATOM 139 CB LYS A 14 1.941 2.478 6.085 1.00 0.00 C ATOM 140 CG LYS A 14 0.505 2.665 6.634 1.00 0.00 C ATOM 141 CD LYS A 14 0.453 2.976 8.152 1.00 0.00 C ATOM 142 CE LYS A 14 0.723 1.758 9.069 1.00 0.00 C ATOM 143 NZ LYS A 14 2.108 1.241 8.970 1.00 0.00 N ATOM 0 H LYS A 14 4.003 2.814 4.420 1.00 0.00 H new ATOM 0 HA LYS A 14 1.428 1.351 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.403 1.628 6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.533 3.358 6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.020 3.475 6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.070 1.760 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.185 3.752 8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.528 3.385 8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.521 2.039 10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.026 0.960 8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.323 0.662 9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.201 0.659 8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.774 2.039 8.921 1.00 0.00 H new ATOM 157 N VAL A 15 0.425 3.185 3.015 1.00 0.00 N ATOM 158 CA VAL A 15 -0.136 4.106 2.032 1.00 0.00 C ATOM 159 C VAL A 15 -1.569 4.449 2.449 1.00 0.00 C ATOM 160 O VAL A 15 -2.317 3.564 2.851 1.00 0.00 O ATOM 161 CB VAL A 15 -0.100 3.412 0.617 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.781 4.256 -0.473 1.00 0.00 C ATOM 163 CG2 VAL A 15 1.358 3.069 0.225 1.00 0.00 C ATOM 0 H VAL A 15 -0.050 2.283 3.027 1.00 0.00 H new ATOM 0 HA VAL A 15 0.440 5.030 1.979 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.673 2.488 0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.727 3.731 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.825 4.419 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.274 5.217 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.368 2.590 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.950 3.984 0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.784 2.391 0.965 1.00 0.00 H new ATOM 173 N ARG A 16 -1.935 5.732 2.373 1.00 0.00 N ATOM 174 CA ARG A 16 -3.291 6.202 2.730 1.00 0.00 C ATOM 175 C ARG A 16 -3.690 7.434 1.918 1.00 0.00 C ATOM 176 O ARG A 16 -2.840 8.119 1.340 1.00 0.00 O ATOM 177 CB ARG A 16 -3.414 6.470 4.255 1.00 0.00 C ATOM 178 CG ARG A 16 -2.335 7.382 4.862 1.00 0.00 C ATOM 179 CD ARG A 16 -2.623 7.739 6.332 1.00 0.00 C ATOM 180 NE ARG A 16 -3.857 8.536 6.464 1.00 0.00 N ATOM 181 CZ ARG A 16 -4.891 8.251 7.264 1.00 0.00 C ATOM 182 NH1 ARG A 16 -4.882 7.171 8.036 1.00 0.00 N ATOM 183 NH2 ARG A 16 -5.946 9.044 7.277 1.00 0.00 N ATOM 0 H ARG A 16 -1.309 6.476 2.065 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.988 5.403 2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.390 6.914 4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.390 5.513 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.366 6.887 4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.267 8.298 4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.715 6.825 6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.782 8.298 6.743 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.929 9.379 5.895 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.078 6.543 8.025 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.679 6.969 8.640 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.971 9.870 6.679 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.737 8.831 7.885 1.00 0.00 H new ATOM 197 N GLY A 17 -5.003 7.706 1.902 1.00 0.00 N ATOM 198 CA GLY A 17 -5.600 8.725 1.036 1.00 0.00 C ATOM 199 C GLY A 17 -6.098 8.122 -0.274 1.00 0.00 C ATOM 200 O GLY A 17 -6.389 8.846 -1.233 1.00 0.00 O ATOM 0 H GLY A 17 -5.680 7.222 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.429 9.205 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.864 9.501 0.824 1.00 0.00 H new ATOM 204 N LEU A 18 -6.208 6.777 -0.296 1.00 0.00 N ATOM 205 CA LEU A 18 -6.664 6.023 -1.471 1.00 0.00 C ATOM 206 C LEU A 18 -8.209 6.005 -1.494 1.00 0.00 C ATOM 207 O LEU A 18 -8.820 5.804 -0.437 1.00 0.00 O ATOM 208 CB LEU A 18 -6.123 4.563 -1.435 1.00 0.00 C ATOM 209 CG LEU A 18 -4.575 4.392 -1.305 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.173 2.899 -1.336 1.00 0.00 C ATOM 211 CD2 LEU A 18 -3.823 5.212 -2.380 1.00 0.00 C ATOM 0 H LEU A 18 -5.981 6.187 0.505 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.284 6.508 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.594 4.046 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.446 4.058 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.278 4.789 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.090 2.812 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.651 2.376 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.494 2.455 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.749 5.070 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.125 4.876 -3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.064 6.269 -2.266 1.00 0.00 H new ATOM 223 N PRO A 19 -8.867 6.234 -2.677 1.00 0.00 N ATOM 224 CA PRO A 19 -10.331 6.050 -2.814 1.00 0.00 C ATOM 225 C PRO A 19 -10.750 4.573 -2.584 1.00 0.00 C ATOM 226 O PRO A 19 -9.975 3.642 -2.834 1.00 0.00 O ATOM 227 CB PRO A 19 -10.636 6.531 -4.263 1.00 0.00 C ATOM 228 CG PRO A 19 -9.324 6.442 -4.988 1.00 0.00 C ATOM 229 CD PRO A 19 -8.251 6.711 -3.948 1.00 0.00 C ATOM 0 HA PRO A 19 -10.895 6.610 -2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.391 5.904 -4.736 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.021 7.551 -4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.193 5.458 -5.438 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.275 7.171 -5.797 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.330 6.173 -4.174 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.998 7.770 -3.898 1.00 0.00 H new ATOM 237 N TRP A 20 -11.994 4.394 -2.116 1.00 0.00 N ATOM 238 CA TRP A 20 -12.585 3.073 -1.796 1.00 0.00 C ATOM 239 C TRP A 20 -12.861 2.260 -3.072 1.00 0.00 C ATOM 240 O TRP A 20 -12.993 1.035 -3.019 1.00 0.00 O ATOM 241 CB TRP A 20 -13.893 3.266 -0.980 1.00 0.00 C ATOM 242 CG TRP A 20 -13.658 3.698 0.449 1.00 0.00 C ATOM 243 CD1 TRP A 20 -12.935 4.773 0.894 1.00 0.00 C ATOM 244 CD2 TRP A 20 -14.157 3.047 1.619 1.00 0.00 C ATOM 245 NE1 TRP A 20 -12.947 4.818 2.261 1.00 0.00 N ATOM 246 CE2 TRP A 20 -13.689 3.769 2.732 1.00 0.00 C ATOM 247 CE3 TRP A 20 -14.947 1.913 1.828 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -13.996 3.402 4.033 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -15.247 1.545 3.118 1.00 0.00 C ATOM 250 CH2 TRP A 20 -14.772 2.287 4.206 1.00 0.00 C ATOM 0 H TRP A 20 -12.633 5.171 -1.944 1.00 0.00 H new ATOM 0 HA TRP A 20 -11.868 2.512 -1.197 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -14.515 4.010 -1.478 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.453 2.331 -0.980 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -12.428 5.483 0.257 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.479 5.519 2.836 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -15.315 1.337 0.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -13.637 3.973 4.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -15.857 0.672 3.295 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -15.024 1.972 5.208 1.00 0.00 H new ATOM 261 N SER A 21 -12.938 2.963 -4.213 1.00 0.00 N ATOM 262 CA SER A 21 -13.168 2.356 -5.530 1.00 0.00 C ATOM 263 C SER A 21 -11.831 2.065 -6.256 1.00 0.00 C ATOM 264 O SER A 21 -11.835 1.754 -7.450 1.00 0.00 O ATOM 265 CB SER A 21 -14.042 3.306 -6.379 1.00 0.00 C ATOM 266 OG SER A 21 -15.239 3.668 -5.703 1.00 0.00 O ATOM 0 H SER A 21 -12.841 3.978 -4.246 1.00 0.00 H new ATOM 0 HA SER A 21 -13.682 1.405 -5.393 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.474 4.205 -6.619 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.290 2.824 -7.324 1.00 0.00 H new ATOM 0 HG SER A 21 -15.765 4.270 -6.269 1.00 0.00 H new ATOM 272 N CYS A 22 -10.683 2.182 -5.546 1.00 0.00 N ATOM 273 CA CYS A 22 -9.352 1.931 -6.125 1.00 0.00 C ATOM 274 C CYS A 22 -8.987 0.444 -6.024 1.00 0.00 C ATOM 275 O CYS A 22 -9.159 -0.179 -4.967 1.00 0.00 O ATOM 276 CB CYS A 22 -8.277 2.777 -5.407 1.00 0.00 C ATOM 277 SG CYS A 22 -6.625 2.574 -6.090 1.00 0.00 S ATOM 0 H CYS A 22 -10.659 2.452 -4.563 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.386 2.217 -7.176 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -8.557 3.829 -5.463 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.260 2.507 -4.351 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.493 1.367 -6.555 1.00 0.00 H new ATOM 283 N SER A 23 -8.480 -0.108 -7.131 1.00 0.00 N ATOM 284 CA SER A 23 -7.969 -1.481 -7.203 1.00 0.00 C ATOM 285 C SER A 23 -6.431 -1.455 -7.255 1.00 0.00 C ATOM 286 O SER A 23 -5.827 -0.382 -7.411 1.00 0.00 O ATOM 287 CB SER A 23 -8.555 -2.196 -8.439 1.00 0.00 C ATOM 288 OG SER A 23 -9.974 -2.255 -8.371 1.00 0.00 O ATOM 0 H SER A 23 -8.412 0.394 -8.016 1.00 0.00 H new ATOM 0 HA SER A 23 -8.276 -2.034 -6.315 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.253 -1.670 -9.345 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.149 -3.205 -8.506 1.00 0.00 H new ATOM 0 HG SER A 23 -10.321 -2.711 -9.166 1.00 0.00 H new ATOM 294 N ALA A 24 -5.820 -2.647 -7.112 1.00 0.00 N ATOM 295 CA ALA A 24 -4.352 -2.826 -7.083 1.00 0.00 C ATOM 296 C ALA A 24 -3.675 -2.209 -8.317 1.00 0.00 C ATOM 297 O ALA A 24 -2.647 -1.555 -8.178 1.00 0.00 O ATOM 298 CB ALA A 24 -3.996 -4.313 -6.952 1.00 0.00 C ATOM 0 H ALA A 24 -6.335 -3.522 -7.012 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.973 -2.297 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.912 -4.427 -6.932 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.420 -4.709 -6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.403 -4.861 -7.802 1.00 0.00 H new ATOM 304 N ASP A 25 -4.285 -2.413 -9.510 1.00 0.00 N ATOM 305 CA ASP A 25 -3.834 -1.817 -10.799 1.00 0.00 C ATOM 306 C ASP A 25 -3.559 -0.311 -10.684 1.00 0.00 C ATOM 307 O ASP A 25 -2.508 0.162 -11.099 1.00 0.00 O ATOM 308 CB ASP A 25 -4.894 -2.038 -11.914 1.00 0.00 C ATOM 309 CG ASP A 25 -5.132 -3.514 -12.237 1.00 0.00 C ATOM 310 OD1 ASP A 25 -5.745 -4.220 -11.406 1.00 0.00 O ATOM 311 OD2 ASP A 25 -4.704 -3.989 -13.313 1.00 0.00 O ATOM 0 H ASP A 25 -5.112 -3.001 -9.609 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.904 -2.324 -11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.836 -1.584 -11.606 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.573 -1.522 -12.819 1.00 0.00 H new ATOM 316 N GLU A 26 -4.522 0.412 -10.090 1.00 0.00 N ATOM 317 CA GLU A 26 -4.494 1.888 -9.976 1.00 0.00 C ATOM 318 C GLU A 26 -3.404 2.369 -8.997 1.00 0.00 C ATOM 319 O GLU A 26 -2.795 3.426 -9.198 1.00 0.00 O ATOM 320 CB GLU A 26 -5.897 2.390 -9.556 1.00 0.00 C ATOM 321 CG GLU A 26 -7.005 1.996 -10.550 1.00 0.00 C ATOM 322 CD GLU A 26 -8.406 2.423 -10.101 1.00 0.00 C ATOM 323 OE1 GLU A 26 -8.764 3.601 -10.295 1.00 0.00 O ATOM 324 OE2 GLU A 26 -9.159 1.582 -9.559 1.00 0.00 O ATOM 0 H GLU A 26 -5.350 -0.010 -9.671 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.238 2.311 -10.948 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.140 1.988 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.874 3.475 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.790 2.445 -11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.990 0.915 -10.689 1.00 0.00 H new ATOM 331 N VAL A 27 -3.164 1.580 -7.940 1.00 0.00 N ATOM 332 CA VAL A 27 -2.084 1.837 -6.971 1.00 0.00 C ATOM 333 C VAL A 27 -0.706 1.489 -7.601 1.00 0.00 C ATOM 334 O VAL A 27 0.301 2.130 -7.292 1.00 0.00 O ATOM 335 CB VAL A 27 -2.315 1.041 -5.626 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.257 1.403 -4.552 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.745 1.265 -5.081 1.00 0.00 C ATOM 0 H VAL A 27 -3.712 0.745 -7.731 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.093 2.898 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.200 -0.018 -5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.452 0.834 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.262 1.161 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.312 2.469 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.873 0.704 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.898 2.327 -4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.473 0.922 -5.817 1.00 0.00 H new ATOM 347 N GLN A 28 -0.688 0.495 -8.527 1.00 0.00 N ATOM 348 CA GLN A 28 0.523 0.125 -9.306 1.00 0.00 C ATOM 349 C GLN A 28 0.902 1.266 -10.262 1.00 0.00 C ATOM 350 O GLN A 28 2.083 1.509 -10.484 1.00 0.00 O ATOM 351 CB GLN A 28 0.316 -1.184 -10.129 1.00 0.00 C ATOM 352 CG GLN A 28 0.168 -2.464 -9.296 1.00 0.00 C ATOM 353 CD GLN A 28 -0.146 -3.701 -10.145 1.00 0.00 C ATOM 354 OE1 GLN A 28 -1.305 -3.998 -10.422 1.00 0.00 O ATOM 355 NE2 GLN A 28 0.881 -4.442 -10.545 1.00 0.00 N ATOM 0 H GLN A 28 -1.507 -0.069 -8.754 1.00 0.00 H new ATOM 0 HA GLN A 28 1.325 -0.050 -8.589 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.574 -1.068 -10.748 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.162 -1.306 -10.806 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.089 -2.637 -8.740 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.626 -2.323 -8.562 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.833 -4.170 -10.299 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.718 -5.283 -11.098 1.00 0.00 H new ATOM 364 N ARG A 29 -0.128 1.912 -10.861 1.00 0.00 N ATOM 365 CA ARG A 29 0.045 3.103 -11.722 1.00 0.00 C ATOM 366 C ARG A 29 0.709 4.251 -10.953 1.00 0.00 C ATOM 367 O ARG A 29 1.638 4.893 -11.457 1.00 0.00 O ATOM 368 CB ARG A 29 -1.319 3.584 -12.286 1.00 0.00 C ATOM 369 CG ARG A 29 -2.093 2.552 -13.133 1.00 0.00 C ATOM 370 CD ARG A 29 -3.480 3.075 -13.561 1.00 0.00 C ATOM 371 NE ARG A 29 -4.318 2.047 -14.196 1.00 0.00 N ATOM 372 CZ ARG A 29 -5.650 2.137 -14.353 1.00 0.00 C ATOM 373 NH1 ARG A 29 -6.327 3.184 -13.895 1.00 0.00 N ATOM 374 NH2 ARG A 29 -6.304 1.162 -14.967 1.00 0.00 N ATOM 0 H ARG A 29 -1.100 1.621 -10.760 1.00 0.00 H new ATOM 0 HA ARG A 29 0.691 2.811 -12.550 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.950 3.888 -11.451 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.147 4.471 -12.895 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.511 2.302 -14.020 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.214 1.632 -12.561 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.999 3.467 -12.686 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.349 3.906 -14.254 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.856 1.206 -14.542 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.836 3.938 -13.414 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.338 3.234 -14.024 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.797 0.349 -15.317 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.315 1.224 -15.089 1.00 0.00 H new ATOM 388 N PHE A 30 0.223 4.511 -9.723 1.00 0.00 N ATOM 389 CA PHE A 30 0.775 5.573 -8.865 1.00 0.00 C ATOM 390 C PHE A 30 2.241 5.259 -8.503 1.00 0.00 C ATOM 391 O PHE A 30 3.118 6.112 -8.626 1.00 0.00 O ATOM 392 CB PHE A 30 -0.091 5.728 -7.582 1.00 0.00 C ATOM 393 CG PHE A 30 0.337 6.894 -6.693 1.00 0.00 C ATOM 394 CD1 PHE A 30 0.005 8.201 -7.034 1.00 0.00 C ATOM 395 CD2 PHE A 30 1.100 6.695 -5.550 1.00 0.00 C ATOM 396 CE1 PHE A 30 0.413 9.264 -6.258 1.00 0.00 C ATOM 397 CE2 PHE A 30 1.512 7.758 -4.780 1.00 0.00 C ATOM 398 CZ PHE A 30 1.169 9.046 -5.137 1.00 0.00 C ATOM 0 H PHE A 30 -0.552 3.998 -9.303 1.00 0.00 H new ATOM 0 HA PHE A 30 0.753 6.517 -9.410 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.133 5.866 -7.871 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.040 4.804 -7.005 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.582 8.386 -7.921 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.374 5.691 -5.261 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.136 10.271 -6.534 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.105 7.584 -3.894 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.496 9.880 -4.534 1.00 0.00 H new ATOM 408 N PHE A 31 2.488 4.005 -8.102 1.00 0.00 N ATOM 409 CA PHE A 31 3.834 3.505 -7.746 1.00 0.00 C ATOM 410 C PHE A 31 4.497 2.815 -8.963 1.00 0.00 C ATOM 411 O PHE A 31 5.210 1.819 -8.806 1.00 0.00 O ATOM 412 CB PHE A 31 3.725 2.541 -6.518 1.00 0.00 C ATOM 413 CG PHE A 31 3.278 3.232 -5.219 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.158 4.051 -4.510 1.00 0.00 C ATOM 415 CD2 PHE A 31 1.986 3.076 -4.718 1.00 0.00 C ATOM 416 CE1 PHE A 31 3.758 4.692 -3.350 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.588 3.718 -3.558 1.00 0.00 C ATOM 418 CZ PHE A 31 2.475 4.524 -2.875 1.00 0.00 C ATOM 0 H PHE A 31 1.757 3.299 -8.013 1.00 0.00 H new ATOM 0 HA PHE A 31 4.472 4.343 -7.466 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.019 1.745 -6.755 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.694 2.069 -6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.166 4.187 -4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.285 2.444 -5.243 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.452 5.325 -2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.582 3.588 -3.187 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.164 5.023 -1.969 1.00 0.00 H new ATOM 428 N SER A 32 4.259 3.376 -10.173 1.00 0.00 N ATOM 429 CA SER A 32 4.847 2.868 -11.438 1.00 0.00 C ATOM 430 C SER A 32 6.395 2.907 -11.428 1.00 0.00 C ATOM 431 O SER A 32 7.043 2.034 -12.019 1.00 0.00 O ATOM 432 CB SER A 32 4.298 3.671 -12.634 1.00 0.00 C ATOM 433 OG SER A 32 4.808 3.201 -13.870 1.00 0.00 O ATOM 0 H SER A 32 3.657 4.190 -10.300 1.00 0.00 H new ATOM 0 HA SER A 32 4.556 1.822 -11.535 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.210 3.608 -12.644 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.555 4.723 -12.513 1.00 0.00 H new ATOM 0 HG SER A 32 4.435 3.735 -14.602 1.00 0.00 H new ATOM 439 N ASP A 33 6.981 3.922 -10.763 1.00 0.00 N ATOM 440 CA ASP A 33 8.453 4.046 -10.624 1.00 0.00 C ATOM 441 C ASP A 33 8.984 2.942 -9.708 1.00 0.00 C ATOM 442 O ASP A 33 10.064 2.392 -9.933 1.00 0.00 O ATOM 443 CB ASP A 33 8.850 5.426 -10.056 1.00 0.00 C ATOM 444 CG ASP A 33 8.434 6.594 -10.962 1.00 0.00 C ATOM 445 OD1 ASP A 33 9.163 6.898 -11.933 1.00 0.00 O ATOM 446 OD2 ASP A 33 7.388 7.222 -10.699 1.00 0.00 O ATOM 0 H ASP A 33 6.459 4.672 -10.311 1.00 0.00 H new ATOM 0 HA ASP A 33 8.894 3.946 -11.616 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.392 5.554 -9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.930 5.455 -9.909 1.00 0.00 H new ATOM 451 N CYS A 34 8.189 2.624 -8.671 1.00 0.00 N ATOM 452 CA CYS A 34 8.477 1.536 -7.736 1.00 0.00 C ATOM 453 C CYS A 34 8.237 0.167 -8.423 1.00 0.00 C ATOM 454 O CYS A 34 7.774 0.098 -9.570 1.00 0.00 O ATOM 455 CB CYS A 34 7.583 1.700 -6.476 1.00 0.00 C ATOM 456 SG CYS A 34 7.593 3.373 -5.775 1.00 0.00 S ATOM 0 H CYS A 34 7.324 3.122 -8.462 1.00 0.00 H new ATOM 0 HA CYS A 34 9.523 1.574 -7.430 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.558 1.431 -6.733 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.916 0.996 -5.713 1.00 0.00 H new ATOM 0 HG CYS A 34 8.387 3.408 -4.746 1.00 0.00 H new ATOM 462 N LYS A 35 8.556 -0.915 -7.710 1.00 0.00 N ATOM 463 CA LYS A 35 8.415 -2.299 -8.202 1.00 0.00 C ATOM 464 C LYS A 35 7.799 -3.118 -7.069 1.00 0.00 C ATOM 465 O LYS A 35 8.490 -3.536 -6.119 1.00 0.00 O ATOM 466 CB LYS A 35 9.769 -2.913 -8.677 1.00 0.00 C ATOM 467 CG LYS A 35 10.458 -2.143 -9.830 1.00 0.00 C ATOM 468 CD LYS A 35 11.628 -2.911 -10.502 1.00 0.00 C ATOM 469 CE LYS A 35 11.181 -4.049 -11.452 1.00 0.00 C ATOM 470 NZ LYS A 35 10.709 -5.265 -10.743 1.00 0.00 N ATOM 0 H LYS A 35 8.925 -0.860 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 35 7.774 -2.309 -9.084 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.451 -2.956 -7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.594 -3.940 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.712 -1.905 -10.588 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.835 -1.196 -9.444 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.237 -2.203 -11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.265 -3.332 -9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.382 -3.681 -12.095 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.015 -4.318 -12.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.082 -6.111 -11.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.045 -5.245 -9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.669 -5.291 -10.753 1.00 0.00 H new ATOM 484 N ILE A 36 6.478 -3.282 -7.168 1.00 0.00 N ATOM 485 CA ILE A 36 5.669 -3.891 -6.120 1.00 0.00 C ATOM 486 C ILE A 36 5.942 -5.405 -6.109 1.00 0.00 C ATOM 487 O ILE A 36 5.726 -6.087 -7.122 1.00 0.00 O ATOM 488 CB ILE A 36 4.118 -3.596 -6.260 1.00 0.00 C ATOM 489 CG1 ILE A 36 3.793 -2.051 -6.361 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.348 -4.222 -5.064 1.00 0.00 C ATOM 491 CD1 ILE A 36 4.068 -1.387 -7.709 1.00 0.00 C ATOM 0 H ILE A 36 5.940 -2.993 -7.985 1.00 0.00 H new ATOM 0 HA ILE A 36 5.961 -3.440 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 36 3.791 -4.052 -7.194 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.741 -1.906 -6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.372 -1.529 -5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.283 -4.014 -5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.508 -5.300 -5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.712 -3.791 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.806 -0.330 -7.654 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.125 -1.487 -7.955 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.469 -1.870 -8.481 1.00 0.00 H new ATOM 503 N GLN A 37 6.463 -5.899 -4.975 1.00 0.00 N ATOM 504 CA GLN A 37 6.775 -7.323 -4.778 1.00 0.00 C ATOM 505 C GLN A 37 5.470 -8.142 -4.815 1.00 0.00 C ATOM 506 O GLN A 37 4.553 -7.842 -4.053 1.00 0.00 O ATOM 507 CB GLN A 37 7.513 -7.512 -3.416 1.00 0.00 C ATOM 508 CG GLN A 37 8.009 -8.949 -3.111 1.00 0.00 C ATOM 509 CD GLN A 37 9.228 -9.394 -3.928 1.00 0.00 C ATOM 510 OE1 GLN A 37 9.449 -8.961 -5.059 1.00 0.00 O ATOM 511 NE2 GLN A 37 10.025 -10.295 -3.363 1.00 0.00 N ATOM 0 H GLN A 37 6.681 -5.319 -4.165 1.00 0.00 H new ATOM 0 HA GLN A 37 7.429 -7.675 -5.576 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.370 -6.839 -3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.842 -7.202 -2.615 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.255 -9.016 -2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.192 -9.647 -3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.821 -10.639 -2.425 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.840 -10.643 -3.868 1.00 0.00 H new ATOM 520 N ASN A 38 5.422 -9.147 -5.719 1.00 0.00 N ATOM 521 CA ASN A 38 4.221 -9.987 -6.030 1.00 0.00 C ATOM 522 C ASN A 38 3.193 -9.226 -6.905 1.00 0.00 C ATOM 523 O ASN A 38 2.024 -9.647 -7.021 1.00 0.00 O ATOM 524 CB ASN A 38 3.541 -10.582 -4.760 1.00 0.00 C ATOM 525 CG ASN A 38 4.480 -11.433 -3.898 1.00 0.00 C ATOM 526 OD1 ASN A 38 5.103 -10.821 -2.900 1.00 0.00 O flip ATOM 527 ND2 ASN A 38 4.636 -12.631 -4.125 1.00 0.00 N flip ATOM 0 H ASN A 38 6.236 -9.411 -6.273 1.00 0.00 H new ATOM 0 HA ASN A 38 4.597 -10.832 -6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.146 -9.766 -4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.691 -11.192 -5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.142 -13.072 -4.901 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.260 -13.184 -3.537 1.00 0.00 H new ATOM 534 N GLY A 39 3.647 -8.121 -7.531 1.00 0.00 N ATOM 535 CA GLY A 39 2.819 -7.321 -8.448 1.00 0.00 C ATOM 536 C GLY A 39 1.586 -6.716 -7.779 1.00 0.00 C ATOM 537 O GLY A 39 1.682 -6.191 -6.668 1.00 0.00 O ATOM 0 H GLY A 39 4.594 -7.762 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.426 -6.519 -8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.501 -7.949 -9.280 1.00 0.00 H new ATOM 541 N ALA A 40 0.421 -6.828 -8.448 1.00 0.00 N ATOM 542 CA ALA A 40 -0.904 -6.425 -7.909 1.00 0.00 C ATOM 543 C ALA A 40 -1.176 -6.996 -6.512 1.00 0.00 C ATOM 544 O ALA A 40 -1.726 -6.322 -5.629 1.00 0.00 O ATOM 545 CB ALA A 40 -2.007 -6.891 -8.882 1.00 0.00 C ATOM 0 H ALA A 40 0.368 -7.207 -9.394 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.903 -5.339 -7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.982 -6.599 -8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.852 -6.428 -9.857 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.967 -7.975 -8.985 1.00 0.00 H new ATOM 551 N GLN A 41 -0.721 -8.235 -6.320 1.00 0.00 N ATOM 552 CA GLN A 41 -1.022 -9.041 -5.127 1.00 0.00 C ATOM 553 C GLN A 41 -0.134 -8.643 -3.939 1.00 0.00 C ATOM 554 O GLN A 41 -0.347 -9.111 -2.813 1.00 0.00 O ATOM 555 CB GLN A 41 -0.871 -10.540 -5.479 1.00 0.00 C ATOM 556 CG GLN A 41 -1.579 -10.934 -6.789 1.00 0.00 C ATOM 557 CD GLN A 41 -1.681 -12.442 -6.990 1.00 0.00 C ATOM 558 OE1 GLN A 41 -0.794 -13.072 -7.560 1.00 0.00 O ATOM 559 NE2 GLN A 41 -2.769 -13.024 -6.520 1.00 0.00 N ATOM 0 H GLN A 41 -0.126 -8.716 -6.994 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.050 -8.852 -4.818 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.189 -10.782 -5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.273 -11.140 -4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.581 -10.505 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.040 -10.498 -7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.484 -12.467 -6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.895 -14.031 -6.625 1.00 0.00 H new ATOM 568 N GLY A 42 0.865 -7.777 -4.203 1.00 0.00 N ATOM 569 CA GLY A 42 1.718 -7.213 -3.166 1.00 0.00 C ATOM 570 C GLY A 42 1.124 -5.985 -2.488 1.00 0.00 C ATOM 571 O GLY A 42 1.631 -5.536 -1.453 1.00 0.00 O ATOM 0 H GLY A 42 1.094 -7.456 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.912 -7.976 -2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.680 -6.946 -3.604 1.00 0.00 H new ATOM 575 N ILE A 43 0.071 -5.411 -3.094 1.00 0.00 N ATOM 576 CA ILE A 43 -0.683 -4.294 -2.508 1.00 0.00 C ATOM 577 C ILE A 43 -1.830 -4.844 -1.643 1.00 0.00 C ATOM 578 O ILE A 43 -2.859 -5.294 -2.156 1.00 0.00 O ATOM 579 CB ILE A 43 -1.222 -3.344 -3.638 1.00 0.00 C ATOM 580 CG1 ILE A 43 -0.033 -2.888 -4.544 1.00 0.00 C ATOM 581 CG2 ILE A 43 -1.986 -2.131 -3.036 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.424 -2.118 -5.781 1.00 0.00 C ATOM 0 H ILE A 43 -0.280 -5.710 -4.004 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.023 -3.705 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.937 -3.890 -4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.640 -2.270 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.530 -3.771 -4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.347 -1.492 -3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.832 -2.489 -2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.315 -1.561 -2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.472 -1.848 -6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.069 -2.736 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.958 -1.212 -5.492 1.00 0.00 H new ATOM 594 N ARG A 44 -1.602 -4.839 -0.327 1.00 0.00 N ATOM 595 CA ARG A 44 -2.555 -5.353 0.662 1.00 0.00 C ATOM 596 C ARG A 44 -3.433 -4.214 1.195 1.00 0.00 C ATOM 597 O ARG A 44 -3.032 -3.500 2.111 1.00 0.00 O ATOM 598 CB ARG A 44 -1.826 -6.045 1.852 1.00 0.00 C ATOM 599 CG ARG A 44 -1.175 -7.418 1.563 1.00 0.00 C ATOM 600 CD ARG A 44 0.163 -7.341 0.835 1.00 0.00 C ATOM 601 NE ARG A 44 0.846 -8.650 0.829 1.00 0.00 N ATOM 602 CZ ARG A 44 2.070 -8.867 0.355 1.00 0.00 C ATOM 603 NH1 ARG A 44 2.735 -7.901 -0.230 1.00 0.00 N ATOM 604 NH2 ARG A 44 2.630 -10.053 0.473 1.00 0.00 N ATOM 0 H ARG A 44 -0.743 -4.475 0.086 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.178 -6.095 0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.051 -5.370 2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.543 -6.172 2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.031 -7.944 2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.865 -8.015 0.967 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.003 -7.007 -0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.799 -6.598 1.316 1.00 0.00 H new ATOM 0 HE ARG A 44 0.342 -9.447 1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.314 -6.976 -0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.673 -8.074 -0.591 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.125 -10.812 0.930 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.569 -10.212 0.107 1.00 0.00 H new ATOM 618 N PHE A 45 -4.633 -4.057 0.621 1.00 0.00 N ATOM 619 CA PHE A 45 -5.633 -3.100 1.130 1.00 0.00 C ATOM 620 C PHE A 45 -6.124 -3.575 2.500 1.00 0.00 C ATOM 621 O PHE A 45 -6.469 -4.753 2.646 1.00 0.00 O ATOM 622 CB PHE A 45 -6.833 -2.960 0.158 1.00 0.00 C ATOM 623 CG PHE A 45 -6.455 -2.464 -1.234 1.00 0.00 C ATOM 624 CD1 PHE A 45 -6.417 -1.096 -1.520 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.135 -3.361 -2.257 1.00 0.00 C ATOM 626 CE1 PHE A 45 -6.075 -0.646 -2.778 1.00 0.00 C ATOM 627 CE2 PHE A 45 -5.793 -2.906 -3.513 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.765 -1.549 -3.773 1.00 0.00 C ATOM 0 H PHE A 45 -4.939 -4.581 -0.199 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.163 -2.120 1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.326 -3.928 0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.559 -2.273 0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.659 -0.383 -0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.156 -4.423 -2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.050 0.414 -2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.547 -3.610 -4.294 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.500 -1.195 -4.758 1.00 0.00 H new ATOM 638 N ILE A 46 -6.111 -2.691 3.510 1.00 0.00 N ATOM 639 CA ILE A 46 -6.634 -3.013 4.839 1.00 0.00 C ATOM 640 C ILE A 46 -8.170 -3.097 4.749 1.00 0.00 C ATOM 641 O ILE A 46 -8.867 -2.065 4.798 1.00 0.00 O ATOM 642 CB ILE A 46 -6.191 -1.956 5.917 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.633 -1.794 5.923 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.731 -2.338 7.321 1.00 0.00 C ATOM 645 CD1 ILE A 46 -4.094 -0.739 6.882 1.00 0.00 C ATOM 0 H ILE A 46 -5.741 -1.744 3.426 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.224 -3.971 5.160 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.624 -0.991 5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.185 -2.755 6.176 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.306 -1.545 4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.412 -1.592 8.049 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.820 -2.376 7.294 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.341 -3.315 7.607 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.007 -0.704 6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.506 0.235 6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.383 -0.993 7.902 1.00 0.00 H new ATOM 657 N TYR A 47 -8.665 -4.323 4.508 1.00 0.00 N ATOM 658 CA TYR A 47 -10.098 -4.608 4.411 1.00 0.00 C ATOM 659 C TYR A 47 -10.704 -4.725 5.813 1.00 0.00 C ATOM 660 O TYR A 47 -10.049 -5.196 6.755 1.00 0.00 O ATOM 661 CB TYR A 47 -10.368 -5.916 3.613 1.00 0.00 C ATOM 662 CG TYR A 47 -9.914 -5.885 2.146 1.00 0.00 C ATOM 663 CD1 TYR A 47 -10.547 -5.062 1.215 1.00 0.00 C ATOM 664 CD2 TYR A 47 -8.848 -6.672 1.696 1.00 0.00 C ATOM 665 CE1 TYR A 47 -10.136 -5.024 -0.104 1.00 0.00 C ATOM 666 CE2 TYR A 47 -8.434 -6.633 0.383 1.00 0.00 C ATOM 667 CZ TYR A 47 -9.078 -5.811 -0.512 1.00 0.00 C ATOM 668 OH TYR A 47 -8.655 -5.759 -1.823 1.00 0.00 O ATOM 0 H TYR A 47 -8.076 -5.145 4.375 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.566 -3.782 3.875 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.865 -6.742 4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.437 -6.128 3.643 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.374 -4.443 1.531 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.340 -7.323 2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.640 -4.382 -0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.606 -7.246 0.057 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.011 -5.028 -1.930 1.00 0.00 H new ATOM 678 N THR A 48 -11.963 -4.303 5.927 1.00 0.00 N ATOM 679 CA THR A 48 -12.750 -4.388 7.150 1.00 0.00 C ATOM 680 C THR A 48 -13.376 -5.792 7.268 1.00 0.00 C ATOM 681 O THR A 48 -13.092 -6.681 6.448 1.00 0.00 O ATOM 682 CB THR A 48 -13.861 -3.285 7.130 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.694 -3.471 5.964 1.00 0.00 O ATOM 684 CG2 THR A 48 -13.253 -1.863 7.115 1.00 0.00 C ATOM 0 H THR A 48 -12.474 -3.883 5.150 1.00 0.00 H new ATOM 0 HA THR A 48 -12.108 -4.223 8.015 1.00 0.00 H new ATOM 0 HB THR A 48 -14.456 -3.382 8.038 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.392 -2.784 5.948 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.055 -1.125 7.101 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.642 -1.719 8.006 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.633 -1.742 6.227 1.00 0.00 H new ATOM 692 N ARG A 49 -14.249 -5.981 8.269 1.00 0.00 N ATOM 693 CA ARG A 49 -15.040 -7.218 8.420 1.00 0.00 C ATOM 694 C ARG A 49 -16.135 -7.319 7.326 1.00 0.00 C ATOM 695 O ARG A 49 -16.806 -8.345 7.207 1.00 0.00 O ATOM 696 CB ARG A 49 -15.653 -7.274 9.843 1.00 0.00 C ATOM 697 CG ARG A 49 -16.668 -6.149 10.172 1.00 0.00 C ATOM 698 CD ARG A 49 -16.891 -5.973 11.689 1.00 0.00 C ATOM 699 NE ARG A 49 -15.686 -5.433 12.351 1.00 0.00 N ATOM 700 CZ ARG A 49 -15.242 -5.750 13.575 1.00 0.00 C ATOM 701 NH1 ARG A 49 -15.866 -6.661 14.317 1.00 0.00 N ATOM 702 NH2 ARG A 49 -14.151 -5.155 14.042 1.00 0.00 N ATOM 0 H ARG A 49 -14.428 -5.287 8.994 1.00 0.00 H new ATOM 0 HA ARG A 49 -14.381 -8.077 8.292 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.149 -8.236 9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.843 -7.234 10.571 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.312 -5.209 9.750 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.621 -6.373 9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.733 -5.302 11.859 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.153 -6.933 12.134 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.138 -4.752 11.825 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.696 -7.131 13.956 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.514 -6.890 15.247 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.662 -4.466 13.471 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.802 -5.387 14.972 1.00 0.00 H new ATOM 716 N GLU A 50 -16.275 -6.246 6.522 1.00 0.00 N ATOM 717 CA GLU A 50 -17.222 -6.160 5.403 1.00 0.00 C ATOM 718 C GLU A 50 -16.501 -6.488 4.076 1.00 0.00 C ATOM 719 O GLU A 50 -17.141 -6.581 3.020 1.00 0.00 O ATOM 720 CB GLU A 50 -17.822 -4.722 5.353 1.00 0.00 C ATOM 721 CG GLU A 50 -18.480 -4.241 6.665 1.00 0.00 C ATOM 722 CD GLU A 50 -19.659 -5.117 7.127 1.00 0.00 C ATOM 723 OE1 GLU A 50 -20.731 -5.062 6.489 1.00 0.00 O ATOM 724 OE2 GLU A 50 -19.516 -5.872 8.115 1.00 0.00 O ATOM 0 H GLU A 50 -15.719 -5.399 6.639 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.026 -6.882 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.029 -4.023 5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.565 -4.682 4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -17.726 -4.219 7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -18.831 -3.218 6.531 1.00 0.00 H new ATOM 731 N GLY A 51 -15.155 -6.642 4.141 1.00 0.00 N ATOM 732 CA GLY A 51 -14.332 -6.890 2.949 1.00 0.00 C ATOM 733 C GLY A 51 -14.131 -5.629 2.125 1.00 0.00 C ATOM 734 O GLY A 51 -14.030 -5.679 0.900 1.00 0.00 O ATOM 0 H GLY A 51 -14.624 -6.597 5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.362 -7.283 3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.806 -7.654 2.333 1.00 0.00 H new ATOM 738 N ARG A 52 -14.059 -4.483 2.821 1.00 0.00 N ATOM 739 CA ARG A 52 -14.016 -3.142 2.200 1.00 0.00 C ATOM 740 C ARG A 52 -12.780 -2.362 2.692 1.00 0.00 C ATOM 741 O ARG A 52 -12.546 -2.317 3.901 1.00 0.00 O ATOM 742 CB ARG A 52 -15.314 -2.363 2.537 1.00 0.00 C ATOM 743 CG ARG A 52 -16.613 -3.042 2.043 1.00 0.00 C ATOM 744 CD ARG A 52 -17.868 -2.187 2.296 1.00 0.00 C ATOM 745 NE ARG A 52 -17.748 -0.866 1.658 1.00 0.00 N ATOM 746 CZ ARG A 52 -17.970 -0.605 0.360 1.00 0.00 C ATOM 747 NH1 ARG A 52 -18.383 -1.552 -0.479 1.00 0.00 N ATOM 748 NH2 ARG A 52 -17.757 0.614 -0.094 1.00 0.00 N ATOM 0 H ARG A 52 -14.029 -4.457 3.840 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.943 -3.256 1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.375 -2.233 3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.250 -1.367 2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.527 -3.246 0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.727 -4.004 2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -18.747 -2.703 1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -18.017 -2.064 3.369 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.473 -0.083 2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.538 -2.501 -0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.545 -1.328 -1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.428 1.344 0.538 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.921 0.828 -1.078 1.00 0.00 H new ATOM 762 N PRO A 53 -11.983 -1.712 1.770 1.00 0.00 N ATOM 763 CA PRO A 53 -10.749 -0.984 2.156 1.00 0.00 C ATOM 764 C PRO A 53 -11.078 0.266 2.997 1.00 0.00 C ATOM 765 O PRO A 53 -12.009 0.984 2.673 1.00 0.00 O ATOM 766 CB PRO A 53 -10.097 -0.589 0.790 1.00 0.00 C ATOM 767 CG PRO A 53 -10.850 -1.367 -0.257 1.00 0.00 C ATOM 768 CD PRO A 53 -12.235 -1.591 0.309 1.00 0.00 C ATOM 0 HA PRO A 53 -10.086 -1.588 2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.176 0.484 0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.036 -0.837 0.776 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.896 -0.815 -1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.357 -2.316 -0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.903 -0.760 0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.696 -2.491 -0.097 1.00 0.00 H new ATOM 776 N SER A 54 -10.284 0.531 4.046 1.00 0.00 N ATOM 777 CA SER A 54 -10.466 1.717 4.921 1.00 0.00 C ATOM 778 C SER A 54 -9.893 3.004 4.252 1.00 0.00 C ATOM 779 O SER A 54 -10.012 4.114 4.791 1.00 0.00 O ATOM 780 CB SER A 54 -9.771 1.434 6.279 1.00 0.00 C ATOM 781 OG SER A 54 -9.965 2.481 7.222 1.00 0.00 O ATOM 0 H SER A 54 -9.500 -0.062 4.317 1.00 0.00 H new ATOM 0 HA SER A 54 -11.529 1.894 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.156 0.502 6.693 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.703 1.292 6.114 1.00 0.00 H new ATOM 0 HG SER A 54 -9.196 3.088 7.200 1.00 0.00 H new ATOM 787 N GLY A 55 -9.306 2.836 3.051 1.00 0.00 N ATOM 788 CA GLY A 55 -8.580 3.902 2.355 1.00 0.00 C ATOM 789 C GLY A 55 -7.072 3.785 2.552 1.00 0.00 C ATOM 790 O GLY A 55 -6.290 4.532 1.946 1.00 0.00 O ATOM 0 H GLY A 55 -9.325 1.953 2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.811 3.864 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.920 4.871 2.720 1.00 0.00 H new ATOM 794 N GLU A 56 -6.677 2.844 3.435 1.00 0.00 N ATOM 795 CA GLU A 56 -5.277 2.496 3.711 1.00 0.00 C ATOM 796 C GLU A 56 -4.941 1.144 3.054 1.00 0.00 C ATOM 797 O GLU A 56 -5.816 0.273 2.902 1.00 0.00 O ATOM 798 CB GLU A 56 -4.988 2.416 5.246 1.00 0.00 C ATOM 799 CG GLU A 56 -4.998 3.756 6.021 1.00 0.00 C ATOM 800 CD GLU A 56 -6.361 4.467 6.056 1.00 0.00 C ATOM 801 OE1 GLU A 56 -7.320 3.886 6.607 1.00 0.00 O ATOM 802 OE2 GLU A 56 -6.480 5.607 5.560 1.00 0.00 O ATOM 0 H GLU A 56 -7.340 2.297 3.984 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.650 3.284 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.727 1.755 5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.014 1.948 5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.674 3.570 7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.265 4.426 5.571 1.00 0.00 H new ATOM 809 N ALA A 57 -3.672 1.005 2.673 1.00 0.00 N ATOM 810 CA ALA A 57 -3.089 -0.221 2.113 1.00 0.00 C ATOM 811 C ALA A 57 -1.599 -0.296 2.473 1.00 0.00 C ATOM 812 O ALA A 57 -1.004 0.694 2.889 1.00 0.00 O ATOM 813 CB ALA A 57 -3.270 -0.262 0.581 1.00 0.00 C ATOM 0 H ALA A 57 -2.996 1.766 2.747 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.606 -1.081 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.831 -1.179 0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.333 -0.236 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.775 0.599 0.133 1.00 0.00 H new ATOM 819 N PHE A 58 -1.007 -1.482 2.345 1.00 0.00 N ATOM 820 CA PHE A 58 0.445 -1.691 2.438 1.00 0.00 C ATOM 821 C PHE A 58 0.979 -2.111 1.068 1.00 0.00 C ATOM 822 O PHE A 58 0.606 -3.169 0.562 1.00 0.00 O ATOM 823 CB PHE A 58 0.782 -2.788 3.481 1.00 0.00 C ATOM 824 CG PHE A 58 0.559 -2.384 4.934 1.00 0.00 C ATOM 825 CD1 PHE A 58 1.556 -1.718 5.645 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.636 -2.680 5.591 1.00 0.00 C ATOM 827 CE1 PHE A 58 1.372 -1.361 6.964 1.00 0.00 C ATOM 828 CE2 PHE A 58 -0.816 -2.326 6.913 1.00 0.00 C ATOM 829 CZ PHE A 58 0.183 -1.663 7.598 1.00 0.00 C ATOM 0 H PHE A 58 -1.527 -2.342 2.171 1.00 0.00 H new ATOM 0 HA PHE A 58 0.912 -0.759 2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.177 -3.669 3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.825 -3.079 3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.488 -1.478 5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.427 -3.190 5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.156 -0.846 7.500 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.742 -2.569 7.414 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.034 -1.381 8.630 1.00 0.00 H new ATOM 839 N VAL A 59 1.836 -1.285 0.467 1.00 0.00 N ATOM 840 CA VAL A 59 2.474 -1.599 -0.812 1.00 0.00 C ATOM 841 C VAL A 59 3.854 -2.201 -0.525 1.00 0.00 C ATOM 842 O VAL A 59 4.756 -1.503 -0.053 1.00 0.00 O ATOM 843 CB VAL A 59 2.571 -0.321 -1.725 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.355 -0.595 -3.033 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.153 0.232 -2.026 1.00 0.00 C ATOM 0 H VAL A 59 2.107 -0.380 0.852 1.00 0.00 H new ATOM 0 HA VAL A 59 1.873 -2.323 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 59 3.133 0.436 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.396 0.316 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.368 -0.915 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.853 -1.379 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.234 1.116 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.567 -0.530 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.660 0.499 -1.091 1.00 0.00 H new ATOM 855 N GLU A 60 3.984 -3.518 -0.758 1.00 0.00 N ATOM 856 CA GLU A 60 5.245 -4.249 -0.548 1.00 0.00 C ATOM 857 C GLU A 60 6.132 -4.068 -1.786 1.00 0.00 C ATOM 858 O GLU A 60 5.631 -4.013 -2.907 1.00 0.00 O ATOM 859 CB GLU A 60 4.971 -5.748 -0.276 1.00 0.00 C ATOM 860 CG GLU A 60 6.224 -6.623 -0.051 1.00 0.00 C ATOM 861 CD GLU A 60 5.887 -8.106 0.203 1.00 0.00 C ATOM 862 OE1 GLU A 60 5.462 -8.804 -0.749 1.00 0.00 O ATOM 863 OE2 GLU A 60 6.016 -8.578 1.346 1.00 0.00 O ATOM 0 H GLU A 60 3.221 -4.104 -1.096 1.00 0.00 H new ATOM 0 HA GLU A 60 5.759 -3.849 0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.330 -5.829 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.411 -6.156 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.874 -6.548 -0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.785 -6.233 0.799 1.00 0.00 H new ATOM 870 N LEU A 61 7.442 -3.992 -1.571 1.00 0.00 N ATOM 871 CA LEU A 61 8.425 -3.575 -2.579 1.00 0.00 C ATOM 872 C LEU A 61 9.661 -4.485 -2.467 1.00 0.00 C ATOM 873 O LEU A 61 9.990 -4.957 -1.370 1.00 0.00 O ATOM 874 CB LEU A 61 8.771 -2.072 -2.346 1.00 0.00 C ATOM 875 CG LEU A 61 7.561 -1.072 -2.484 1.00 0.00 C ATOM 876 CD1 LEU A 61 7.876 0.322 -1.915 1.00 0.00 C ATOM 877 CD2 LEU A 61 7.076 -0.983 -3.948 1.00 0.00 C ATOM 0 H LEU A 61 7.864 -4.223 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 61 8.029 -3.673 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.197 -1.965 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.545 -1.780 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 61 6.749 -1.478 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.008 0.969 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.119 0.236 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.725 0.749 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.241 -0.286 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.891 -0.632 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.753 -1.968 -4.285 1.00 0.00 H new ATOM 889 N GLU A 62 10.305 -4.773 -3.609 1.00 0.00 N ATOM 890 CA GLU A 62 11.426 -5.751 -3.670 1.00 0.00 C ATOM 891 C GLU A 62 12.724 -5.247 -2.997 1.00 0.00 C ATOM 892 O GLU A 62 13.522 -6.059 -2.511 1.00 0.00 O ATOM 893 CB GLU A 62 11.692 -6.154 -5.133 1.00 0.00 C ATOM 894 CG GLU A 62 12.053 -4.991 -6.079 1.00 0.00 C ATOM 895 CD GLU A 62 12.270 -5.462 -7.523 1.00 0.00 C ATOM 896 OE1 GLU A 62 11.297 -5.956 -8.129 1.00 0.00 O ATOM 897 OE2 GLU A 62 13.404 -5.370 -8.052 1.00 0.00 O ATOM 0 H GLU A 62 10.076 -4.348 -4.507 1.00 0.00 H new ATOM 0 HA GLU A 62 11.113 -6.624 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.504 -6.881 -5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.806 -6.656 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.256 -4.247 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.957 -4.500 -5.719 1.00 0.00 H new ATOM 904 N SER A 63 12.904 -3.918 -2.947 1.00 0.00 N ATOM 905 CA SER A 63 14.106 -3.276 -2.355 1.00 0.00 C ATOM 906 C SER A 63 13.751 -1.873 -1.824 1.00 0.00 C ATOM 907 O SER A 63 12.692 -1.322 -2.150 1.00 0.00 O ATOM 908 CB SER A 63 15.295 -3.207 -3.354 1.00 0.00 C ATOM 909 OG SER A 63 15.686 -4.498 -3.801 1.00 0.00 O ATOM 0 H SER A 63 12.225 -3.251 -3.314 1.00 0.00 H new ATOM 0 HA SER A 63 14.434 -3.900 -1.523 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.014 -2.595 -4.211 1.00 0.00 H new ATOM 0 HB3 SER A 63 16.143 -2.716 -2.876 1.00 0.00 H new ATOM 0 HG SER A 63 16.434 -4.414 -4.428 1.00 0.00 H new ATOM 915 N GLU A 64 14.633 -1.326 -0.965 1.00 0.00 N ATOM 916 CA GLU A 64 14.426 -0.018 -0.320 1.00 0.00 C ATOM 917 C GLU A 64 14.526 1.151 -1.311 1.00 0.00 C ATOM 918 O GLU A 64 14.077 2.250 -0.995 1.00 0.00 O ATOM 919 CB GLU A 64 15.414 0.185 0.857 1.00 0.00 C ATOM 920 CG GLU A 64 15.055 1.364 1.789 1.00 0.00 C ATOM 921 CD GLU A 64 16.048 1.560 2.939 1.00 0.00 C ATOM 922 OE1 GLU A 64 17.167 2.050 2.678 1.00 0.00 O ATOM 923 OE2 GLU A 64 15.721 1.225 4.100 1.00 0.00 O ATOM 0 H GLU A 64 15.508 -1.779 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 64 13.408 -0.023 0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.452 -0.731 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.414 0.347 0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.008 2.280 1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.060 1.199 2.203 1.00 0.00 H new ATOM 930 N ASP A 65 15.105 0.919 -2.497 1.00 0.00 N ATOM 931 CA ASP A 65 15.138 1.936 -3.571 1.00 0.00 C ATOM 932 C ASP A 65 13.700 2.319 -3.959 1.00 0.00 C ATOM 933 O ASP A 65 13.354 3.499 -4.019 1.00 0.00 O ATOM 934 CB ASP A 65 15.893 1.405 -4.817 1.00 0.00 C ATOM 935 CG ASP A 65 16.108 2.482 -5.898 1.00 0.00 C ATOM 936 OD1 ASP A 65 17.130 3.202 -5.839 1.00 0.00 O ATOM 937 OD2 ASP A 65 15.254 2.630 -6.802 1.00 0.00 O ATOM 0 H ASP A 65 15.558 0.039 -2.742 1.00 0.00 H new ATOM 0 HA ASP A 65 15.667 2.814 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.861 1.011 -4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.334 0.574 -5.247 1.00 0.00 H new ATOM 942 N GLU A 66 12.900 1.277 -4.238 1.00 0.00 N ATOM 943 CA GLU A 66 11.448 1.366 -4.465 1.00 0.00 C ATOM 944 C GLU A 66 10.728 2.097 -3.308 1.00 0.00 C ATOM 945 O GLU A 66 9.794 2.872 -3.543 1.00 0.00 O ATOM 946 CB GLU A 66 10.848 -0.057 -4.645 1.00 0.00 C ATOM 947 CG GLU A 66 11.205 -0.781 -5.969 1.00 0.00 C ATOM 948 CD GLU A 66 12.685 -1.100 -6.219 1.00 0.00 C ATOM 949 OE1 GLU A 66 13.367 -1.552 -5.292 1.00 0.00 O ATOM 950 OE2 GLU A 66 13.162 -0.924 -7.355 1.00 0.00 O ATOM 0 H GLU A 66 13.255 0.324 -4.314 1.00 0.00 H new ATOM 0 HA GLU A 66 11.292 1.947 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.180 -0.678 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.763 0.016 -4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.648 -1.717 -6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.848 -0.167 -6.796 1.00 0.00 H new ATOM 957 N VAL A 67 11.163 1.823 -2.059 1.00 0.00 N ATOM 958 CA VAL A 67 10.623 2.490 -0.847 1.00 0.00 C ATOM 959 C VAL A 67 10.913 4.004 -0.872 1.00 0.00 C ATOM 960 O VAL A 67 10.053 4.796 -0.529 1.00 0.00 O ATOM 961 CB VAL A 67 11.188 1.842 0.478 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.812 2.648 1.756 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.737 0.366 0.597 1.00 0.00 C ATOM 0 H VAL A 67 11.893 1.139 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 67 9.543 2.344 -0.855 1.00 0.00 H new ATOM 0 HB VAL A 67 12.275 1.873 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.228 2.153 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.217 3.657 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.727 2.698 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.136 -0.063 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.648 0.319 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.109 -0.198 -0.258 1.00 0.00 H new ATOM 973 N LYS A 68 12.140 4.371 -1.270 1.00 0.00 N ATOM 974 CA LYS A 68 12.566 5.781 -1.449 1.00 0.00 C ATOM 975 C LYS A 68 11.678 6.505 -2.478 1.00 0.00 C ATOM 976 O LYS A 68 11.253 7.635 -2.240 1.00 0.00 O ATOM 977 CB LYS A 68 14.055 5.853 -1.884 1.00 0.00 C ATOM 978 CG LYS A 68 15.050 5.285 -0.849 1.00 0.00 C ATOM 979 CD LYS A 68 15.048 6.072 0.484 1.00 0.00 C ATOM 980 CE LYS A 68 16.010 5.486 1.533 1.00 0.00 C ATOM 981 NZ LYS A 68 16.087 6.336 2.741 1.00 0.00 N ATOM 0 H LYS A 68 12.876 3.697 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 68 12.456 6.284 -0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.174 5.309 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.312 6.893 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.803 4.242 -0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.054 5.300 -1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.322 7.108 0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.037 6.081 0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.678 4.486 1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.004 5.382 1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.744 5.909 3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.428 7.283 2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.143 6.415 3.171 1.00 0.00 H new ATOM 995 N LEU A 69 11.422 5.827 -3.615 1.00 0.00 N ATOM 996 CA LEU A 69 10.526 6.322 -4.691 1.00 0.00 C ATOM 997 C LEU A 69 9.082 6.511 -4.169 1.00 0.00 C ATOM 998 O LEU A 69 8.386 7.449 -4.564 1.00 0.00 O ATOM 999 CB LEU A 69 10.542 5.330 -5.888 1.00 0.00 C ATOM 1000 CG LEU A 69 11.947 5.005 -6.488 1.00 0.00 C ATOM 1001 CD1 LEU A 69 11.866 3.908 -7.564 1.00 0.00 C ATOM 1002 CD2 LEU A 69 12.650 6.276 -7.019 1.00 0.00 C ATOM 0 H LEU A 69 11.831 4.915 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 69 10.892 7.293 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.081 4.396 -5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.916 5.738 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 69 12.560 4.614 -5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.863 3.710 -7.957 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.462 2.996 -7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.216 4.240 -8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.624 6.009 -7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.040 6.730 -7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.782 6.987 -6.203 1.00 0.00 H new ATOM 1014 N ALA A 70 8.668 5.593 -3.277 1.00 0.00 N ATOM 1015 CA ALA A 70 7.351 5.628 -2.607 1.00 0.00 C ATOM 1016 C ALA A 70 7.260 6.852 -1.664 1.00 0.00 C ATOM 1017 O ALA A 70 6.245 7.551 -1.636 1.00 0.00 O ATOM 1018 CB ALA A 70 7.105 4.314 -1.837 1.00 0.00 C ATOM 0 H ALA A 70 9.242 4.798 -2.997 1.00 0.00 H new ATOM 0 HA ALA A 70 6.573 5.726 -3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.131 4.355 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.127 3.475 -2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.883 4.182 -1.085 1.00 0.00 H new ATOM 1024 N LEU A 71 8.344 7.085 -0.893 1.00 0.00 N ATOM 1025 CA LEU A 71 8.487 8.257 0.005 1.00 0.00 C ATOM 1026 C LEU A 71 8.478 9.586 -0.780 1.00 0.00 C ATOM 1027 O LEU A 71 8.027 10.600 -0.262 1.00 0.00 O ATOM 1028 CB LEU A 71 9.788 8.145 0.853 1.00 0.00 C ATOM 1029 CG LEU A 71 9.895 6.915 1.816 1.00 0.00 C ATOM 1030 CD1 LEU A 71 11.275 6.874 2.519 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.726 6.893 2.830 1.00 0.00 C ATOM 0 H LEU A 71 9.151 6.462 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 71 7.626 8.258 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.638 8.118 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.886 9.053 1.448 1.00 0.00 H new ATOM 0 HG LEU A 71 9.813 6.009 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.320 6.010 3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.063 6.799 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.414 7.785 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.828 6.027 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.746 7.804 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.780 6.832 2.293 1.00 0.00 H new ATOM 1043 N LYS A 72 8.974 9.570 -2.031 1.00 0.00 N ATOM 1044 CA LYS A 72 8.912 10.754 -2.928 1.00 0.00 C ATOM 1045 C LYS A 72 7.450 11.051 -3.326 1.00 0.00 C ATOM 1046 O LYS A 72 7.056 12.210 -3.510 1.00 0.00 O ATOM 1047 CB LYS A 72 9.785 10.537 -4.192 1.00 0.00 C ATOM 1048 CG LYS A 72 11.298 10.379 -3.905 1.00 0.00 C ATOM 1049 CD LYS A 72 12.156 10.265 -5.185 1.00 0.00 C ATOM 1050 CE LYS A 72 12.070 11.524 -6.070 1.00 0.00 C ATOM 1051 NZ LYS A 72 12.965 11.446 -7.251 1.00 0.00 N ATOM 0 H LYS A 72 9.423 8.755 -2.449 1.00 0.00 H new ATOM 0 HA LYS A 72 9.307 11.613 -2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.432 9.648 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.642 11.381 -4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.641 11.233 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.453 9.491 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.195 10.091 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.831 9.398 -5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.042 11.660 -6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.331 12.401 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.872 12.315 -7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.950 11.343 -6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.701 10.626 -7.833 1.00 0.00 H new ATOM 1065 N LYS A 73 6.648 9.985 -3.397 1.00 0.00 N ATOM 1066 CA LYS A 73 5.233 10.045 -3.792 1.00 0.00 C ATOM 1067 C LYS A 73 4.327 10.402 -2.599 1.00 0.00 C ATOM 1068 O LYS A 73 3.112 10.551 -2.774 1.00 0.00 O ATOM 1069 CB LYS A 73 4.841 8.691 -4.412 1.00 0.00 C ATOM 1070 CG LYS A 73 5.531 8.414 -5.755 1.00 0.00 C ATOM 1071 CD LYS A 73 5.451 6.939 -6.191 1.00 0.00 C ATOM 1072 CE LYS A 73 6.073 6.716 -7.574 1.00 0.00 C ATOM 1073 NZ LYS A 73 7.404 7.371 -7.701 1.00 0.00 N ATOM 0 H LYS A 73 6.966 9.041 -3.179 1.00 0.00 H new ATOM 0 HA LYS A 73 5.096 10.836 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.090 7.893 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.761 8.664 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.076 9.038 -6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.578 8.708 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.963 6.316 -5.458 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.408 6.621 -6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.177 5.646 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.403 7.106 -8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.704 7.357 -8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.339 8.356 -7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.100 6.858 -7.122 1.00 0.00 H new ATOM 1087 N ASP A 74 4.929 10.513 -1.391 1.00 0.00 N ATOM 1088 CA ASP A 74 4.256 11.065 -0.189 1.00 0.00 C ATOM 1089 C ASP A 74 3.623 12.459 -0.445 1.00 0.00 C ATOM 1090 O ASP A 74 2.587 12.799 0.130 1.00 0.00 O ATOM 1091 CB ASP A 74 5.267 11.116 0.981 1.00 0.00 C ATOM 1092 CG ASP A 74 4.757 11.825 2.246 1.00 0.00 C ATOM 1093 OD1 ASP A 74 3.986 11.219 3.023 1.00 0.00 O ATOM 1094 OD2 ASP A 74 5.144 12.995 2.479 1.00 0.00 O ATOM 0 H ASP A 74 5.892 10.223 -1.222 1.00 0.00 H new ATOM 0 HA ASP A 74 3.429 10.404 0.070 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.550 10.096 1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.171 11.620 0.639 1.00 0.00 H new ATOM 1099 N ARG A 75 4.252 13.267 -1.303 1.00 0.00 N ATOM 1100 CA ARG A 75 3.726 14.600 -1.656 1.00 0.00 C ATOM 1101 C ARG A 75 2.909 14.559 -2.952 1.00 0.00 C ATOM 1102 O ARG A 75 1.971 15.346 -3.115 1.00 0.00 O ATOM 1103 CB ARG A 75 4.883 15.621 -1.742 1.00 0.00 C ATOM 1104 CG ARG A 75 5.667 15.785 -0.419 1.00 0.00 C ATOM 1105 CD ARG A 75 4.757 16.109 0.782 1.00 0.00 C ATOM 1106 NE ARG A 75 5.512 16.253 2.040 1.00 0.00 N ATOM 1107 CZ ARG A 75 4.991 16.664 3.213 1.00 0.00 C ATOM 1108 NH1 ARG A 75 3.709 16.987 3.316 1.00 0.00 N ATOM 1109 NH2 ARG A 75 5.763 16.725 4.283 1.00 0.00 N ATOM 0 H ARG A 75 5.127 13.026 -1.769 1.00 0.00 H new ATOM 0 HA ARG A 75 3.045 14.921 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.573 15.310 -2.527 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.480 16.590 -2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.218 14.868 -0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.403 16.580 -0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.211 17.031 0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.015 15.318 0.896 1.00 0.00 H new ATOM 0 HE ARG A 75 6.506 16.024 2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.101 16.926 2.500 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.331 17.296 4.212 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.746 16.462 4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.376 17.035 5.174 1.00 0.00 H new ATOM 1123 N GLU A 76 3.285 13.656 -3.873 1.00 0.00 N ATOM 1124 CA GLU A 76 2.592 13.466 -5.165 1.00 0.00 C ATOM 1125 C GLU A 76 1.096 13.111 -4.977 1.00 0.00 C ATOM 1126 O GLU A 76 0.727 12.359 -4.060 1.00 0.00 O ATOM 1127 CB GLU A 76 3.319 12.355 -5.971 1.00 0.00 C ATOM 1128 CG GLU A 76 2.778 12.089 -7.392 1.00 0.00 C ATOM 1129 CD GLU A 76 3.569 11.000 -8.150 1.00 0.00 C ATOM 1130 OE1 GLU A 76 3.274 9.800 -7.970 1.00 0.00 O ATOM 1131 OE2 GLU A 76 4.479 11.342 -8.941 1.00 0.00 O ATOM 0 H GLU A 76 4.082 13.033 -3.745 1.00 0.00 H new ATOM 0 HA GLU A 76 2.625 14.407 -5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.373 12.620 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.265 11.426 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.732 11.789 -7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.808 13.016 -7.965 1.00 0.00 H new ATOM 1138 N THR A 77 0.256 13.654 -5.868 1.00 0.00 N ATOM 1139 CA THR A 77 -1.198 13.464 -5.833 1.00 0.00 C ATOM 1140 C THR A 77 -1.619 12.305 -6.754 1.00 0.00 C ATOM 1141 O THR A 77 -1.112 12.176 -7.879 1.00 0.00 O ATOM 1142 CB THR A 77 -1.970 14.770 -6.218 1.00 0.00 C ATOM 1143 OG1 THR A 77 -1.526 15.253 -7.493 1.00 0.00 O ATOM 1144 CG2 THR A 77 -1.798 15.873 -5.158 1.00 0.00 C ATOM 0 H THR A 77 0.570 14.242 -6.640 1.00 0.00 H new ATOM 0 HA THR A 77 -1.464 13.214 -4.806 1.00 0.00 H new ATOM 0 HB THR A 77 -3.029 14.517 -6.271 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.018 16.069 -7.723 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.350 16.762 -5.465 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.181 15.520 -4.200 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.741 16.119 -5.057 1.00 0.00 H new ATOM 1152 N MET A 78 -2.521 11.451 -6.237 1.00 0.00 N ATOM 1153 CA MET A 78 -3.047 10.289 -6.961 1.00 0.00 C ATOM 1154 C MET A 78 -3.987 10.745 -8.100 1.00 0.00 C ATOM 1155 O MET A 78 -3.533 10.927 -9.236 1.00 0.00 O ATOM 1156 CB MET A 78 -3.737 9.316 -5.972 1.00 0.00 C ATOM 1157 CG MET A 78 -3.960 7.897 -6.502 1.00 0.00 C ATOM 1158 SD MET A 78 -4.723 6.825 -5.257 1.00 0.00 S ATOM 1159 CE MET A 78 -4.649 5.216 -6.065 1.00 0.00 C ATOM 0 H MET A 78 -2.906 11.552 -5.298 1.00 0.00 H new ATOM 0 HA MET A 78 -2.225 9.746 -7.428 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.135 9.257 -5.065 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.702 9.736 -5.687 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.595 7.935 -7.387 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.006 7.471 -6.813 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.724 4.428 -5.315 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.475 5.125 -6.771 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.703 5.120 -6.598 1.00 0.00 H new ATOM 1169 N GLY A 79 -5.282 10.961 -7.795 1.00 0.00 N ATOM 1170 CA GLY A 79 -6.249 11.457 -8.792 1.00 0.00 C ATOM 1171 C GLY A 79 -7.072 12.628 -8.280 1.00 0.00 C ATOM 1172 O GLY A 79 -7.936 13.140 -9.002 1.00 0.00 O ATOM 0 H GLY A 79 -5.680 10.800 -6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.714 11.761 -9.692 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.918 10.645 -9.078 1.00 0.00 H new ATOM 1176 N HIS A 80 -6.785 13.060 -7.039 1.00 0.00 N ATOM 1177 CA HIS A 80 -7.508 14.148 -6.357 1.00 0.00 C ATOM 1178 C HIS A 80 -6.752 14.521 -5.075 1.00 0.00 C ATOM 1179 O HIS A 80 -6.390 15.680 -4.865 1.00 0.00 O ATOM 1180 CB HIS A 80 -8.970 13.714 -6.025 1.00 0.00 C ATOM 1181 CG HIS A 80 -9.782 14.730 -5.257 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -10.332 15.856 -5.835 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -10.142 14.775 -3.952 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -10.987 16.546 -4.921 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -10.886 15.909 -3.775 1.00 0.00 N ATOM 0 H HIS A 80 -6.036 12.659 -6.475 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.560 15.016 -7.014 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.487 13.490 -6.958 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.936 12.789 -5.449 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.889 14.050 -3.192 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.515 17.474 -5.086 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -11.298 16.213 -2.893 1.00 0.00 H new ATOM 1194 N ARG A 81 -6.536 13.500 -4.225 1.00 0.00 N ATOM 1195 CA ARG A 81 -5.809 13.625 -2.952 1.00 0.00 C ATOM 1196 C ARG A 81 -4.312 13.424 -3.175 1.00 0.00 C ATOM 1197 O ARG A 81 -3.897 12.946 -4.228 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.312 12.560 -1.936 1.00 0.00 C ATOM 1199 CG ARG A 81 -7.809 12.647 -1.581 1.00 0.00 C ATOM 1200 CD ARG A 81 -8.232 11.523 -0.625 1.00 0.00 C ATOM 1201 NE ARG A 81 -9.661 11.593 -0.291 1.00 0.00 N ATOM 1202 CZ ARG A 81 -10.458 10.546 -0.064 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -10.000 9.296 -0.147 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -11.724 10.763 0.235 1.00 0.00 N ATOM 0 H ARG A 81 -6.867 12.553 -4.408 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.990 14.624 -2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.108 11.569 -2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.731 12.654 -1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.019 13.613 -1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.403 12.592 -2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.013 10.558 -1.081 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.642 11.584 0.290 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.080 12.521 -0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.024 9.126 -0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.626 8.511 0.030 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.079 11.718 0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.348 9.976 0.412 1.00 0.00 H new ATOM 1218 N TYR A 82 -3.530 13.766 -2.149 1.00 0.00 N ATOM 1219 CA TYR A 82 -2.095 13.448 -2.074 1.00 0.00 C ATOM 1220 C TYR A 82 -1.957 12.201 -1.201 1.00 0.00 C ATOM 1221 O TYR A 82 -2.650 12.065 -0.186 1.00 0.00 O ATOM 1222 CB TYR A 82 -1.267 14.650 -1.523 1.00 0.00 C ATOM 1223 CG TYR A 82 -1.745 15.195 -0.161 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -2.805 16.103 -0.087 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -1.156 14.787 1.037 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -3.250 16.582 1.123 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -1.600 15.267 2.249 1.00 0.00 C ATOM 1228 CZ TYR A 82 -2.648 16.159 2.286 1.00 0.00 C ATOM 1229 OH TYR A 82 -3.084 16.634 3.499 1.00 0.00 O ATOM 0 H TYR A 82 -3.875 14.277 -1.336 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.692 13.254 -3.068 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -0.225 14.343 -1.430 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.297 15.459 -2.253 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.283 16.435 -0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.338 14.083 1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.068 17.287 1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.128 14.945 3.166 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.552 16.233 4.218 1.00 0.00 H new ATOM 1239 N VAL A 83 -1.084 11.286 -1.606 1.00 0.00 N ATOM 1240 CA VAL A 83 -0.953 9.975 -0.960 1.00 0.00 C ATOM 1241 C VAL A 83 0.109 10.054 0.130 1.00 0.00 C ATOM 1242 O VAL A 83 1.235 10.431 -0.146 1.00 0.00 O ATOM 1243 CB VAL A 83 -0.593 8.875 -2.015 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -0.152 7.550 -1.358 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -1.778 8.647 -2.979 1.00 0.00 C ATOM 0 H VAL A 83 -0.446 11.426 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.905 9.699 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 83 0.261 9.240 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.086 6.821 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.730 7.725 -0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.960 7.166 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.513 7.880 -3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.651 8.323 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.008 9.577 -3.500 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.264 9.657 1.352 1.00 0.00 N ATOM 1256 CA GLU A 84 0.607 9.751 2.538 1.00 0.00 C ATOM 1257 C GLU A 84 1.311 8.397 2.719 1.00 0.00 C ATOM 1258 O GLU A 84 0.648 7.364 2.906 1.00 0.00 O ATOM 1259 CB GLU A 84 -0.261 10.106 3.784 1.00 0.00 C ATOM 1260 CG GLU A 84 -1.192 11.321 3.584 1.00 0.00 C ATOM 1261 CD GLU A 84 -2.264 11.461 4.684 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -3.348 10.854 4.550 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -2.021 12.170 5.689 1.00 0.00 O ATOM 0 H GLU A 84 -1.182 9.259 1.551 1.00 0.00 H new ATOM 0 HA GLU A 84 1.357 10.532 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.866 9.239 4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.400 10.304 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.590 12.229 3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.685 11.236 2.616 1.00 0.00 H new ATOM 1270 N VAL A 85 2.654 8.416 2.644 1.00 0.00 N ATOM 1271 CA VAL A 85 3.487 7.200 2.624 1.00 0.00 C ATOM 1272 C VAL A 85 4.443 7.195 3.830 1.00 0.00 C ATOM 1273 O VAL A 85 5.297 8.080 3.960 1.00 0.00 O ATOM 1274 CB VAL A 85 4.316 7.098 1.285 1.00 0.00 C ATOM 1275 CG1 VAL A 85 5.234 5.852 1.284 1.00 0.00 C ATOM 1276 CG2 VAL A 85 3.389 7.111 0.039 1.00 0.00 C ATOM 0 H VAL A 85 3.195 9.280 2.595 1.00 0.00 H new ATOM 0 HA VAL A 85 2.824 6.337 2.682 1.00 0.00 H new ATOM 0 HB VAL A 85 4.954 7.980 1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.791 5.811 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.932 5.913 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.627 4.952 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.994 7.039 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.705 6.264 0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.817 8.039 0.020 1.00 0.00 H new ATOM 1286 N PHE A 86 4.292 6.194 4.703 1.00 0.00 N ATOM 1287 CA PHE A 86 5.141 5.982 5.889 1.00 0.00 C ATOM 1288 C PHE A 86 5.948 4.692 5.661 1.00 0.00 C ATOM 1289 O PHE A 86 5.443 3.780 5.019 1.00 0.00 O ATOM 1290 CB PHE A 86 4.248 5.812 7.153 1.00 0.00 C ATOM 1291 CG PHE A 86 3.242 6.943 7.384 1.00 0.00 C ATOM 1292 CD1 PHE A 86 1.969 6.910 6.800 1.00 0.00 C ATOM 1293 CD2 PHE A 86 3.565 8.037 8.183 1.00 0.00 C ATOM 1294 CE1 PHE A 86 1.069 7.934 7.007 1.00 0.00 C ATOM 1295 CE2 PHE A 86 2.660 9.058 8.390 1.00 0.00 C ATOM 1296 CZ PHE A 86 1.414 9.008 7.802 1.00 0.00 C ATOM 0 H PHE A 86 3.560 5.490 4.606 1.00 0.00 H new ATOM 0 HA PHE A 86 5.804 6.834 6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.704 4.871 7.072 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.893 5.733 8.028 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.689 6.072 6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.539 8.087 8.648 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.093 7.895 6.546 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.928 9.898 9.014 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.708 9.809 7.964 1.00 0.00 H new ATOM 1306 N LYS A 87 7.200 4.615 6.133 1.00 0.00 N ATOM 1307 CA LYS A 87 7.934 3.336 6.149 1.00 0.00 C ATOM 1308 C LYS A 87 7.309 2.356 7.164 1.00 0.00 C ATOM 1309 O LYS A 87 6.941 2.740 8.280 1.00 0.00 O ATOM 1310 CB LYS A 87 9.440 3.528 6.449 1.00 0.00 C ATOM 1311 CG LYS A 87 10.284 4.077 5.272 1.00 0.00 C ATOM 1312 CD LYS A 87 11.803 3.817 5.465 1.00 0.00 C ATOM 1313 CE LYS A 87 12.140 2.307 5.528 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.576 2.053 5.779 1.00 0.00 N ATOM 0 H LYS A 87 7.722 5.409 6.504 1.00 0.00 H new ATOM 0 HA LYS A 87 7.850 2.912 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.541 4.207 7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.857 2.570 6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.953 3.613 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.111 5.149 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.355 4.276 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.138 4.300 6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.549 1.840 6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.850 1.835 4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.676 1.301 6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.036 1.757 4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.026 2.923 6.129 1.00 0.00 H new ATOM 1328 N SER A 88 7.177 1.104 6.730 1.00 0.00 N ATOM 1329 CA SER A 88 6.681 -0.008 7.543 1.00 0.00 C ATOM 1330 C SER A 88 7.577 -1.241 7.300 1.00 0.00 C ATOM 1331 O SER A 88 8.766 -1.083 6.964 1.00 0.00 O ATOM 1332 CB SER A 88 5.190 -0.255 7.169 1.00 0.00 C ATOM 1333 OG SER A 88 4.399 0.897 7.435 1.00 0.00 O ATOM 0 H SER A 88 7.418 0.826 5.779 1.00 0.00 H new ATOM 0 HA SER A 88 6.724 0.214 8.609 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.115 -0.516 6.113 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.805 -1.103 7.735 1.00 0.00 H new ATOM 0 HG SER A 88 4.628 1.605 6.798 1.00 0.00 H new ATOM 1339 N ASN A 89 7.010 -2.446 7.449 1.00 0.00 N ATOM 1340 CA ASN A 89 7.723 -3.710 7.213 1.00 0.00 C ATOM 1341 C ASN A 89 6.726 -4.873 7.106 1.00 0.00 C ATOM 1342 O ASN A 89 5.544 -4.720 7.434 1.00 0.00 O ATOM 1343 CB ASN A 89 8.854 -3.971 8.269 1.00 0.00 C ATOM 1344 CG ASN A 89 8.405 -4.070 9.731 1.00 0.00 C ATOM 1345 OD1 ASN A 89 7.330 -4.572 10.047 1.00 0.00 O ATOM 1346 ND2 ASN A 89 9.254 -3.594 10.637 1.00 0.00 N ATOM 0 H ASN A 89 6.040 -2.572 7.738 1.00 0.00 H new ATOM 0 HA ASN A 89 8.240 -3.630 6.257 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.363 -4.897 8.004 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.588 -3.169 8.190 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.020 -3.640 11.629 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.139 -3.183 10.340 1.00 0.00 H new ATOM 1353 N ASN A 90 7.232 -6.030 6.644 1.00 0.00 N ATOM 1354 CA ASN A 90 6.419 -7.215 6.286 1.00 0.00 C ATOM 1355 C ASN A 90 5.678 -7.803 7.514 1.00 0.00 C ATOM 1356 O ASN A 90 4.528 -8.247 7.398 1.00 0.00 O ATOM 1357 CB ASN A 90 7.346 -8.277 5.630 1.00 0.00 C ATOM 1358 CG ASN A 90 6.613 -9.552 5.204 1.00 0.00 C ATOM 1359 OD1 ASN A 90 6.530 -10.520 5.959 1.00 0.00 O ATOM 1360 ND2 ASN A 90 6.058 -9.560 4.003 1.00 0.00 N ATOM 0 H ASN A 90 8.232 -6.174 6.505 1.00 0.00 H new ATOM 0 HA ASN A 90 5.648 -6.912 5.578 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.828 -7.837 4.757 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.137 -8.540 6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.546 -10.382 3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.142 -8.744 3.397 1.00 0.00 H new ATOM 1367 N VAL A 91 6.348 -7.775 8.677 1.00 0.00 N ATOM 1368 CA VAL A 91 5.819 -8.357 9.932 1.00 0.00 C ATOM 1369 C VAL A 91 4.642 -7.520 10.476 1.00 0.00 C ATOM 1370 O VAL A 91 3.613 -8.070 10.900 1.00 0.00 O ATOM 1371 CB VAL A 91 6.934 -8.495 11.035 1.00 0.00 C ATOM 1372 CG1 VAL A 91 6.406 -9.277 12.270 1.00 0.00 C ATOM 1373 CG2 VAL A 91 8.210 -9.152 10.455 1.00 0.00 C ATOM 0 H VAL A 91 7.270 -7.351 8.779 1.00 0.00 H new ATOM 0 HA VAL A 91 5.462 -9.358 9.689 1.00 0.00 H new ATOM 0 HB VAL A 91 7.201 -7.493 11.370 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.197 -9.357 13.015 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.555 -8.748 12.699 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.095 -10.275 11.963 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.964 -9.235 11.238 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.968 -10.145 10.077 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.598 -8.539 9.642 1.00 0.00 H new ATOM 1383 N GLU A 92 4.807 -6.182 10.430 1.00 0.00 N ATOM 1384 CA GLU A 92 3.772 -5.228 10.881 1.00 0.00 C ATOM 1385 C GLU A 92 2.582 -5.243 9.911 1.00 0.00 C ATOM 1386 O GLU A 92 1.426 -5.149 10.338 1.00 0.00 O ATOM 1387 CB GLU A 92 4.333 -3.787 10.973 1.00 0.00 C ATOM 1388 CG GLU A 92 3.327 -2.749 11.523 1.00 0.00 C ATOM 1389 CD GLU A 92 3.785 -1.302 11.313 1.00 0.00 C ATOM 1390 OE1 GLU A 92 3.612 -0.779 10.192 1.00 0.00 O ATOM 1391 OE2 GLU A 92 4.346 -0.688 12.251 1.00 0.00 O ATOM 0 H GLU A 92 5.655 -5.735 10.082 1.00 0.00 H new ATOM 0 HA GLU A 92 3.447 -5.539 11.874 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.217 -3.793 11.611 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.658 -3.472 9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.362 -2.893 11.037 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.177 -2.926 12.588 1.00 0.00 H new ATOM 1398 N MET A 93 2.892 -5.357 8.599 1.00 0.00 N ATOM 1399 CA MET A 93 1.888 -5.481 7.527 1.00 0.00 C ATOM 1400 C MET A 93 0.928 -6.637 7.837 1.00 0.00 C ATOM 1401 O MET A 93 -0.283 -6.442 7.894 1.00 0.00 O ATOM 1402 CB MET A 93 2.578 -5.701 6.148 1.00 0.00 C ATOM 1403 CG MET A 93 1.615 -5.979 4.977 1.00 0.00 C ATOM 1404 SD MET A 93 2.416 -6.005 3.356 1.00 0.00 S ATOM 1405 CE MET A 93 3.528 -7.396 3.502 1.00 0.00 C ATOM 0 H MET A 93 3.853 -5.365 8.257 1.00 0.00 H new ATOM 0 HA MET A 93 1.318 -4.553 7.477 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.171 -4.818 5.910 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.272 -6.537 6.235 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.124 -6.938 5.144 1.00 0.00 H new ATOM 0 HG3 MET A 93 0.835 -5.218 4.973 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.483 -7.149 3.038 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.685 -7.627 4.556 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.095 -8.262 3.001 1.00 0.00 H new ATOM 1415 N ASP A 94 1.522 -7.807 8.135 1.00 0.00 N ATOM 1416 CA ASP A 94 0.785 -9.044 8.464 1.00 0.00 C ATOM 1417 C ASP A 94 -0.097 -8.850 9.711 1.00 0.00 C ATOM 1418 O ASP A 94 -1.255 -9.280 9.734 1.00 0.00 O ATOM 1419 CB ASP A 94 1.787 -10.210 8.704 1.00 0.00 C ATOM 1420 CG ASP A 94 1.112 -11.562 9.016 1.00 0.00 C ATOM 1421 OD1 ASP A 94 0.446 -12.117 8.115 1.00 0.00 O ATOM 1422 OD2 ASP A 94 1.236 -12.071 10.156 1.00 0.00 O ATOM 0 H ASP A 94 2.535 -7.923 8.155 1.00 0.00 H new ATOM 0 HA ASP A 94 0.137 -9.287 7.622 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.415 -10.324 7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.446 -9.945 9.531 1.00 0.00 H new ATOM 1427 N TRP A 95 0.484 -8.177 10.726 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.167 -7.912 12.023 1.00 0.00 C ATOM 1429 C TRP A 95 -1.477 -7.118 11.827 1.00 0.00 C ATOM 1430 O TRP A 95 -2.535 -7.501 12.342 1.00 0.00 O ATOM 1431 CB TRP A 95 0.838 -7.155 12.954 1.00 0.00 C ATOM 1432 CG TRP A 95 0.533 -7.192 14.437 1.00 0.00 C ATOM 1433 CD1 TRP A 95 -0.430 -7.914 15.086 1.00 0.00 C ATOM 1434 CD2 TRP A 95 1.243 -6.480 15.462 1.00 0.00 C ATOM 1435 NE1 TRP A 95 -0.370 -7.681 16.430 1.00 0.00 N ATOM 1436 CE2 TRP A 95 0.653 -6.814 16.693 1.00 0.00 C ATOM 1437 CE3 TRP A 95 2.330 -5.607 15.452 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 1.098 -6.294 17.903 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 2.772 -5.082 16.651 1.00 0.00 C ATOM 1440 CH2 TRP A 95 2.161 -5.431 17.867 1.00 0.00 C ATOM 0 H TRP A 95 1.429 -7.799 10.666 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.438 -8.855 12.497 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.832 -7.574 12.798 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.879 -6.112 12.638 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.137 -8.574 14.605 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -0.991 -8.090 17.128 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.817 -5.346 14.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 0.624 -6.560 18.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.602 -4.391 16.654 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.536 -5.012 18.789 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.391 -6.054 11.017 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.516 -5.143 10.750 1.00 0.00 C ATOM 1453 C VAL A 96 -3.601 -5.814 9.863 1.00 0.00 C ATOM 1454 O VAL A 96 -4.793 -5.548 10.023 1.00 0.00 O ATOM 1455 CB VAL A 96 -2.004 -3.798 10.111 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.163 -2.825 9.780 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -0.951 -3.110 11.024 1.00 0.00 C ATOM 0 H VAL A 96 -0.535 -5.798 10.525 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.986 -4.907 11.705 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.525 -4.060 9.168 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.758 -1.913 9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.843 -3.297 9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.704 -2.579 10.694 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.615 -2.184 10.558 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.399 -2.887 11.992 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.099 -3.776 11.163 1.00 0.00 H new ATOM 1467 N LEU A 97 -3.190 -6.713 8.953 1.00 0.00 N ATOM 1468 CA LEU A 97 -4.122 -7.405 8.022 1.00 0.00 C ATOM 1469 C LEU A 97 -4.973 -8.467 8.739 1.00 0.00 C ATOM 1470 O LEU A 97 -6.122 -8.708 8.353 1.00 0.00 O ATOM 1471 CB LEU A 97 -3.330 -8.046 6.868 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.585 -7.052 5.937 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.619 -7.813 5.019 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -3.577 -6.152 5.153 1.00 0.00 C ATOM 0 H LEU A 97 -2.214 -6.985 8.836 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.807 -6.657 7.623 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.601 -8.737 7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.017 -8.638 6.263 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.989 -6.375 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.101 -7.107 4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.890 -8.351 5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.179 -8.522 4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.020 -5.469 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.228 -6.776 4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.181 -5.578 5.856 1.00 0.00 H new ATOM 1486 N LYS A 98 -4.394 -9.096 9.783 1.00 0.00 N ATOM 1487 CA LYS A 98 -5.095 -10.120 10.600 1.00 0.00 C ATOM 1488 C LYS A 98 -6.329 -9.547 11.330 1.00 0.00 C ATOM 1489 O LYS A 98 -7.225 -10.305 11.716 1.00 0.00 O ATOM 1490 CB LYS A 98 -4.108 -10.800 11.592 1.00 0.00 C ATOM 1491 CG LYS A 98 -3.143 -11.792 10.910 1.00 0.00 C ATOM 1492 CD LYS A 98 -2.094 -12.402 11.865 1.00 0.00 C ATOM 1493 CE LYS A 98 -1.121 -11.356 12.424 1.00 0.00 C ATOM 1494 NZ LYS A 98 0.078 -11.980 13.017 1.00 0.00 N ATOM 0 H LYS A 98 -3.437 -8.914 10.085 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.470 -10.881 9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.527 -10.030 12.100 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.678 -11.327 12.357 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.724 -12.598 10.461 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.626 -11.281 10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.605 -12.895 12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.530 -13.170 11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.820 -10.677 11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.628 -10.755 13.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.496 -11.334 13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.189 -12.870 13.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.773 -12.176 12.269 1.00 0.00 H new ATOM 1508 N HIS A 99 -6.389 -8.208 11.454 1.00 0.00 N ATOM 1509 CA HIS A 99 -7.536 -7.473 12.016 1.00 0.00 C ATOM 1510 C HIS A 99 -7.499 -6.036 11.472 1.00 0.00 C ATOM 1511 O HIS A 99 -8.059 -5.759 10.411 1.00 0.00 O ATOM 1512 CB HIS A 99 -7.571 -7.479 13.585 1.00 0.00 C ATOM 1513 CG HIS A 99 -8.056 -8.766 14.196 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -7.269 -9.578 14.978 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -9.255 -9.385 14.106 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -7.963 -10.632 15.348 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -9.168 -10.548 14.832 1.00 0.00 N ATOM 0 H HIS A 99 -5.627 -7.596 11.161 1.00 0.00 H new ATOM 0 HA HIS A 99 -8.450 -7.980 11.706 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -6.569 -7.270 13.958 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.213 -6.666 13.924 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -10.120 -9.031 13.564 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.602 -11.435 15.973 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -9.915 -11.232 14.951 1.00 0.00 H new ATOM 1526 N THR A 100 -6.752 -5.167 12.170 1.00 0.00 N ATOM 1527 CA THR A 100 -6.639 -3.731 11.868 1.00 0.00 C ATOM 1528 C THR A 100 -5.389 -3.200 12.617 1.00 0.00 C ATOM 1529 O THR A 100 -4.534 -4.014 13.015 1.00 0.00 O ATOM 1530 CB THR A 100 -7.961 -2.962 12.272 1.00 0.00 C ATOM 1531 OG1 THR A 100 -7.916 -1.587 11.837 1.00 0.00 O ATOM 1532 CG2 THR A 100 -8.229 -3.017 13.792 1.00 0.00 C ATOM 0 H THR A 100 -6.197 -5.449 12.978 1.00 0.00 H new ATOM 0 HA THR A 100 -6.518 -3.564 10.798 1.00 0.00 H new ATOM 0 HB THR A 100 -8.781 -3.472 11.767 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.745 -1.134 12.097 1.00 0.00 H new ATOM 0 HG21 THR A 100 -9.147 -2.475 14.019 1.00 0.00 H new ATOM 0 HG22 THR A 100 -8.333 -4.056 14.106 1.00 0.00 H new ATOM 0 HG23 THR A 100 -7.396 -2.559 14.325 1.00 0.00 H new ATOM 1540 N GLY A 101 -5.265 -1.866 12.777 1.00 0.00 N ATOM 1541 CA GLY A 101 -4.200 -1.269 13.588 1.00 0.00 C ATOM 1542 C GLY A 101 -4.156 -1.877 14.998 1.00 0.00 C ATOM 1543 O GLY A 101 -5.185 -1.897 15.672 1.00 0.00 O ATOM 0 H GLY A 101 -5.895 -1.186 12.351 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.239 -1.420 13.096 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.356 -0.193 13.660 1.00 0.00 H new ATOM 1547 N PRO A 102 -2.991 -2.415 15.458 1.00 0.00 N ATOM 1548 CA PRO A 102 -2.893 -3.208 16.711 1.00 0.00 C ATOM 1549 C PRO A 102 -2.709 -2.321 17.963 1.00 0.00 C ATOM 1550 O PRO A 102 -1.789 -2.546 18.772 1.00 0.00 O ATOM 1551 CB PRO A 102 -1.671 -4.096 16.400 1.00 0.00 C ATOM 1552 CG PRO A 102 -0.752 -3.199 15.611 1.00 0.00 C ATOM 1553 CD PRO A 102 -1.654 -2.275 14.806 1.00 0.00 C ATOM 0 HA PRO A 102 -3.791 -3.773 16.960 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -1.194 -4.450 17.314 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.956 -4.978 15.826 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.101 -2.628 16.273 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.106 -3.783 14.955 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -1.300 -1.244 14.838 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.689 -2.567 13.756 1.00 0.00 H new ATOM 1561 N ASN A 103 -3.638 -1.346 18.123 1.00 0.00 N ATOM 1562 CA ASN A 103 -3.624 -0.305 19.172 1.00 0.00 C ATOM 1563 C ASN A 103 -2.447 0.667 18.967 1.00 0.00 C ATOM 1564 O ASN A 103 -1.304 0.245 18.724 1.00 0.00 O ATOM 1565 CB ASN A 103 -3.610 -0.892 20.623 1.00 0.00 C ATOM 1566 CG ASN A 103 -4.809 -1.793 20.954 1.00 0.00 C ATOM 1567 OD1 ASN A 103 -5.898 -1.652 20.395 1.00 0.00 O ATOM 1568 ND2 ASN A 103 -4.622 -2.704 21.904 1.00 0.00 N ATOM 0 H ASN A 103 -4.443 -1.263 17.502 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.560 0.244 19.069 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.692 -1.463 20.762 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.583 -0.067 21.335 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.392 -3.310 22.188 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.709 -2.797 22.349 1.00 0.00 H new ATOM 1575 N SER A 104 -2.748 1.972 19.052 1.00 0.00 N ATOM 1576 CA SER A 104 -1.754 3.043 18.965 1.00 0.00 C ATOM 1577 C SER A 104 -0.704 2.893 20.097 1.00 0.00 C ATOM 1578 O SER A 104 -1.083 2.868 21.275 1.00 0.00 O ATOM 1579 CB SER A 104 -2.473 4.410 19.054 1.00 0.00 C ATOM 1580 OG SER A 104 -3.330 4.464 20.186 1.00 0.00 O ATOM 0 H SER A 104 -3.700 2.313 19.185 1.00 0.00 H new ATOM 0 HA SER A 104 -1.228 2.981 18.012 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.735 5.210 19.114 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.053 4.579 18.147 1.00 0.00 H new ATOM 0 HG SER A 104 -2.791 4.543 21.001 1.00 0.00 H new ATOM 1586 N PRO A 105 0.620 2.717 19.768 1.00 0.00 N ATOM 1587 CA PRO A 105 1.693 2.696 20.784 1.00 0.00 C ATOM 1588 C PRO A 105 1.948 4.120 21.323 1.00 0.00 C ATOM 1589 O PRO A 105 2.911 4.784 20.933 1.00 0.00 O ATOM 1590 CB PRO A 105 2.926 2.087 20.027 1.00 0.00 C ATOM 1591 CG PRO A 105 2.377 1.610 18.705 1.00 0.00 C ATOM 1592 CD PRO A 105 1.181 2.493 18.413 1.00 0.00 C ATOM 0 HA PRO A 105 1.451 2.105 21.668 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.708 2.832 19.883 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.368 1.265 20.590 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.126 1.693 17.918 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.085 0.561 18.758 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.472 3.427 17.933 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.466 2.004 17.752 1.00 0.00 H new ATOM 1600 N ASP A 106 1.030 4.581 22.197 1.00 0.00 N ATOM 1601 CA ASP A 106 1.016 5.959 22.744 1.00 0.00 C ATOM 1602 C ASP A 106 2.266 6.239 23.581 1.00 0.00 C ATOM 1603 O ASP A 106 2.715 7.386 23.672 1.00 0.00 O ATOM 1604 CB ASP A 106 -0.249 6.190 23.613 1.00 0.00 C ATOM 1605 CG ASP A 106 -1.555 5.962 22.839 1.00 0.00 C ATOM 1606 OD1 ASP A 106 -1.948 6.842 22.046 1.00 0.00 O ATOM 1607 OD2 ASP A 106 -2.196 4.902 23.019 1.00 0.00 O ATOM 0 H ASP A 106 0.267 4.002 22.549 1.00 0.00 H new ATOM 0 HA ASP A 106 1.003 6.645 21.897 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -0.220 5.520 24.473 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -0.236 7.208 24.002 1.00 0.00 H new ATOM 1612 N THR A 107 2.807 5.174 24.195 1.00 0.00 N ATOM 1613 CA THR A 107 4.019 5.240 25.017 1.00 0.00 C ATOM 1614 C THR A 107 4.640 3.836 25.157 1.00 0.00 C ATOM 1615 O THR A 107 3.965 2.809 24.977 1.00 0.00 O ATOM 1616 CB THR A 107 3.710 5.835 26.438 1.00 0.00 C ATOM 1617 OG1 THR A 107 4.911 5.997 27.197 1.00 0.00 O ATOM 1618 CG2 THR A 107 2.717 4.965 27.236 1.00 0.00 C ATOM 0 H THR A 107 2.410 4.237 24.132 1.00 0.00 H new ATOM 0 HA THR A 107 4.729 5.901 24.520 1.00 0.00 H new ATOM 0 HB THR A 107 3.249 6.808 26.269 1.00 0.00 H new ATOM 0 HG1 THR A 107 4.694 6.370 28.077 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.537 5.419 28.210 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.777 4.892 26.690 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.135 3.968 27.373 1.00 0.00 H new ATOM 1626 N ALA A 108 5.934 3.821 25.470 1.00 0.00 N ATOM 1627 CA ALA A 108 6.678 2.622 25.879 1.00 0.00 C ATOM 1628 C ALA A 108 7.426 2.949 27.189 1.00 0.00 C ATOM 1629 O ALA A 108 8.413 2.285 27.536 1.00 0.00 O ATOM 1630 CB ALA A 108 7.640 2.197 24.752 1.00 0.00 C ATOM 0 H ALA A 108 6.512 4.661 25.447 1.00 0.00 H new ATOM 0 HA ALA A 108 6.006 1.783 26.058 1.00 0.00 H new ATOM 0 HB1 ALA A 108 8.190 1.307 25.059 1.00 0.00 H new ATOM 0 HB2 ALA A 108 7.069 1.977 23.850 1.00 0.00 H new ATOM 0 HB3 ALA A 108 8.342 3.006 24.549 1.00 0.00 H new ATOM 1636 N ASN A 109 6.872 3.957 27.921 1.00 0.00 N ATOM 1637 CA ASN A 109 7.510 4.652 29.059 1.00 0.00 C ATOM 1638 C ASN A 109 8.688 5.511 28.560 1.00 0.00 C ATOM 1639 O ASN A 109 9.668 4.978 28.024 1.00 0.00 O ATOM 1640 CB ASN A 109 7.961 3.682 30.195 1.00 0.00 C ATOM 1641 CG ASN A 109 6.801 2.910 30.843 1.00 0.00 C ATOM 1642 OD1 ASN A 109 5.686 3.429 30.973 1.00 0.00 O ATOM 1643 ND2 ASN A 109 7.053 1.664 31.262 1.00 0.00 N ATOM 0 H ASN A 109 5.938 4.314 27.722 1.00 0.00 H new ATOM 0 HA ASN A 109 6.755 5.301 29.503 1.00 0.00 H new ATOM 0 HB2 ASN A 109 8.678 2.969 29.789 1.00 0.00 H new ATOM 0 HB3 ASN A 109 8.480 4.254 30.964 1.00 0.00 H new ATOM 0 HD21 ASN A 109 6.315 1.115 31.703 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.983 1.263 31.141 1.00 0.00 H new ATOM 1650 N ASP A 110 8.566 6.848 28.733 1.00 0.00 N ATOM 1651 CA ASP A 110 9.605 7.833 28.332 1.00 0.00 C ATOM 1652 C ASP A 110 10.949 7.530 29.033 1.00 0.00 C ATOM 1653 O ASP A 110 12.019 7.763 28.461 1.00 0.00 O ATOM 1654 CB ASP A 110 9.119 9.282 28.655 1.00 0.00 C ATOM 1655 CG ASP A 110 10.125 10.392 28.272 1.00 0.00 C ATOM 1656 OD1 ASP A 110 10.209 10.748 27.075 1.00 0.00 O ATOM 1657 OD2 ASP A 110 10.832 10.919 29.165 1.00 0.00 O ATOM 0 H ASP A 110 7.743 7.278 29.155 1.00 0.00 H new ATOM 0 HA ASP A 110 9.767 7.753 27.257 1.00 0.00 H new ATOM 0 HB2 ASP A 110 8.180 9.463 28.131 1.00 0.00 H new ATOM 0 HB3 ASP A 110 8.908 9.352 29.722 1.00 0.00 H new ATOM 1662 N GLY A 111 10.863 6.981 30.256 1.00 0.00 N ATOM 1663 CA GLY A 111 12.028 6.528 31.017 1.00 0.00 C ATOM 1664 C GLY A 111 12.395 7.526 32.103 1.00 0.00 C ATOM 1665 O GLY A 111 11.811 7.467 33.204 1.00 0.00 O ATOM 1666 OXT GLY A 111 13.256 8.396 31.854 1.00 0.00 O ATOM 0 H GLY A 111 9.977 6.841 30.742 1.00 0.00 H new ATOM 0 HA2 GLY A 111 11.817 5.558 31.467 1.00 0.00 H new ATOM 0 HA3 GLY A 111 12.875 6.390 30.344 1.00 0.00 H new TER 1670 GLY A 111