USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 857 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 39 LYS NZ :NH3+ 170:sc= 0.976 (180deg=0) USER MOD Set 1.2: A 64 GLN : amide:sc= -1.12 K(o=-0.14,f=-6.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.366 USER MOD Single : A 7 ASN : amide:sc= -3.2! C(o=-3.2!,f=-20!) USER MOD Single : A 11 ASN : amide:sc= -0.337 K(o=-0.34,f=-2.6!) USER MOD Single : A 13 ASN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.7!) USER MOD Single : A 17 SER OG : rot -60:sc= -0.362 USER MOD Single : A 18 GLN : amide:sc= -1.43! C(o=-1.4!,f=-5!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0.269 X(o=0.27,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 24:sc= -2.52! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.88 X(o=-1.9,f=-2!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 173:sc= -1.83! USER MOD Single : A 67 MET CE :methyl -140:sc= -0.892 (180deg=-2.6!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 84 ASN : amide:sc= -0.79 K(o=-0.79,f=-2.9!) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN :FLIP amide:sc= -1.21 F(o=-2.6!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.233 -13.314 5.235 1.00 0.00 N ATOM 2 CA MET A 1 -7.468 -13.527 3.779 1.00 0.00 C ATOM 3 C MET A 1 -6.419 -12.775 2.955 1.00 0.00 C ATOM 4 O MET A 1 -5.509 -13.365 2.407 1.00 0.00 O ATOM 5 CB MET A 1 -8.863 -12.960 3.515 1.00 0.00 C ATOM 6 CG MET A 1 -9.767 -14.066 2.972 1.00 0.00 C ATOM 7 SD MET A 1 -11.197 -14.268 4.062 1.00 0.00 S ATOM 8 CE MET A 1 -10.523 -15.609 5.073 1.00 0.00 C ATOM 0 H1 MET A 1 -7.952 -13.830 5.782 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.287 -13.665 5.489 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.296 -12.299 5.452 1.00 0.00 H new ATOM 0 HA MET A 1 -7.395 -14.578 3.500 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.282 -12.552 4.435 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.805 -12.139 2.800 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.098 -13.817 1.964 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.213 -15.002 2.904 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.254 -15.898 5.828 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.299 -16.466 4.438 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.610 -15.272 5.563 1.00 0.00 H new ATOM 20 N ARG A 2 -6.538 -11.479 2.860 1.00 0.00 N ATOM 21 CA ARG A 2 -5.544 -10.701 2.066 1.00 0.00 C ATOM 22 C ARG A 2 -5.651 -9.207 2.387 1.00 0.00 C ATOM 23 O ARG A 2 -6.726 -8.686 2.609 1.00 0.00 O ATOM 24 CB ARG A 2 -5.914 -10.964 0.607 1.00 0.00 C ATOM 25 CG ARG A 2 -4.687 -11.484 -0.145 1.00 0.00 C ATOM 26 CD ARG A 2 -4.994 -12.864 -0.733 1.00 0.00 C ATOM 27 NE ARG A 2 -4.834 -12.697 -2.204 1.00 0.00 N ATOM 28 CZ ARG A 2 -4.769 -13.747 -2.978 1.00 0.00 C ATOM 29 NH1 ARG A 2 -5.237 -14.892 -2.564 1.00 0.00 N ATOM 30 NH2 ARG A 2 -4.237 -13.650 -4.165 1.00 0.00 N ATOM 0 H ARG A 2 -7.277 -10.927 3.295 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.519 -10.996 2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.723 -11.692 0.552 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.277 -10.048 0.142 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.414 -10.791 -0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.833 -11.546 0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.311 -13.620 -0.345 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.004 -13.186 -0.479 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.775 -11.762 -2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.654 -14.967 -1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.186 -15.712 -3.168 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.872 -12.754 -4.489 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.186 -14.470 -4.770 1.00 0.00 H new ATOM 44 N ARG A 3 -4.546 -8.516 2.408 1.00 0.00 N ATOM 45 CA ARG A 3 -4.584 -7.054 2.708 1.00 0.00 C ATOM 46 C ARG A 3 -4.403 -6.251 1.418 1.00 0.00 C ATOM 47 O ARG A 3 -3.824 -6.726 0.462 1.00 0.00 O ATOM 48 CB ARG A 3 -3.413 -6.815 3.663 1.00 0.00 C ATOM 49 CG ARG A 3 -3.479 -7.825 4.810 1.00 0.00 C ATOM 50 CD ARG A 3 -2.235 -8.715 4.782 1.00 0.00 C ATOM 51 NE ARG A 3 -1.141 -7.867 5.334 1.00 0.00 N ATOM 52 CZ ARG A 3 -0.650 -8.120 6.516 1.00 0.00 C ATOM 53 NH1 ARG A 3 0.292 -9.015 6.654 1.00 0.00 N ATOM 54 NH2 ARG A 3 -1.099 -7.479 7.561 1.00 0.00 N ATOM 0 H ARG A 3 -3.617 -8.899 2.231 1.00 0.00 H new ATOM 0 HA ARG A 3 -5.532 -6.743 3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.468 -6.915 3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.451 -5.799 4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.544 -7.303 5.765 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.377 -8.435 4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.379 -9.613 5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.007 -9.043 3.768 1.00 0.00 H new ATOM 0 HE ARG A 3 -0.775 -7.088 4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 3 0.643 -9.516 5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.676 -9.213 7.578 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.834 -6.780 7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -0.715 -7.677 8.485 1.00 0.00 H new ATOM 68 N TYR A 4 -4.897 -5.044 1.374 1.00 0.00 N ATOM 69 CA TYR A 4 -4.751 -4.237 0.139 1.00 0.00 C ATOM 70 C TYR A 4 -4.251 -2.837 0.478 1.00 0.00 C ATOM 71 O TYR A 4 -4.308 -2.401 1.610 1.00 0.00 O ATOM 72 CB TYR A 4 -6.157 -4.172 -0.447 1.00 0.00 C ATOM 73 CG TYR A 4 -6.706 -5.569 -0.610 1.00 0.00 C ATOM 74 CD1 TYR A 4 -6.429 -6.298 -1.772 1.00 0.00 C ATOM 75 CD2 TYR A 4 -7.492 -6.135 0.402 1.00 0.00 C ATOM 76 CE1 TYR A 4 -6.937 -7.595 -1.922 1.00 0.00 C ATOM 77 CE2 TYR A 4 -8.000 -7.431 0.252 1.00 0.00 C ATOM 78 CZ TYR A 4 -7.722 -8.161 -0.910 1.00 0.00 C ATOM 79 OH TYR A 4 -8.223 -9.439 -1.058 1.00 0.00 O ATOM 0 H TYR A 4 -5.393 -4.587 2.139 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.032 -4.669 -0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.807 -3.590 0.206 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.136 -3.664 -1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.824 -5.861 -2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.706 -5.572 1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.723 -8.158 -2.818 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -8.606 -7.867 1.032 1.00 0.00 H new ATOM 0 HH TYR A 4 -8.745 -9.680 -0.264 1.00 0.00 H new ATOM 89 N GLU A 5 -3.771 -2.125 -0.497 1.00 0.00 N ATOM 90 CA GLU A 5 -3.279 -0.748 -0.235 1.00 0.00 C ATOM 91 C GLU A 5 -4.009 0.228 -1.152 1.00 0.00 C ATOM 92 O GLU A 5 -4.186 -0.025 -2.328 1.00 0.00 O ATOM 93 CB GLU A 5 -1.782 -0.779 -0.552 1.00 0.00 C ATOM 94 CG GLU A 5 -1.172 -2.090 -0.047 1.00 0.00 C ATOM 95 CD GLU A 5 -0.770 -2.959 -1.240 1.00 0.00 C ATOM 96 OE1 GLU A 5 -1.639 -3.619 -1.785 1.00 0.00 O ATOM 97 OE2 GLU A 5 0.399 -2.949 -1.589 1.00 0.00 O ATOM 0 H GLU A 5 -3.698 -2.437 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.455 -0.428 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.626 -0.685 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.284 0.069 -0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.301 -1.882 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.891 -2.621 0.577 1.00 0.00 H new ATOM 104 N VAL A 6 -4.447 1.336 -0.628 1.00 0.00 N ATOM 105 CA VAL A 6 -5.179 2.311 -1.485 1.00 0.00 C ATOM 106 C VAL A 6 -4.536 3.698 -1.401 1.00 0.00 C ATOM 107 O VAL A 6 -4.329 4.236 -0.332 1.00 0.00 O ATOM 108 CB VAL A 6 -6.599 2.344 -0.923 1.00 0.00 C ATOM 109 CG1 VAL A 6 -7.393 3.455 -1.609 1.00 0.00 C ATOM 110 CG2 VAL A 6 -7.282 0.999 -1.180 1.00 0.00 C ATOM 0 H VAL A 6 -4.332 1.609 0.348 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.160 2.023 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.559 2.533 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.406 3.479 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.908 4.414 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.432 3.266 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.295 1.023 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.321 0.810 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.717 0.205 -0.692 1.00 0.00 H new ATOM 120 N ASN A 7 -4.232 4.280 -2.528 1.00 0.00 N ATOM 121 CA ASN A 7 -3.614 5.635 -2.528 1.00 0.00 C ATOM 122 C ASN A 7 -4.668 6.680 -2.900 1.00 0.00 C ATOM 123 O ASN A 7 -4.948 6.909 -4.060 1.00 0.00 O ATOM 124 CB ASN A 7 -2.518 5.574 -3.591 1.00 0.00 C ATOM 125 CG ASN A 7 -3.124 5.146 -4.929 1.00 0.00 C ATOM 126 OD1 ASN A 7 -4.294 4.825 -5.006 1.00 0.00 O ATOM 127 ND2 ASN A 7 -2.372 5.129 -5.995 1.00 0.00 N ATOM 0 H ASN A 7 -4.385 3.874 -3.451 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.213 5.912 -1.553 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.040 6.549 -3.692 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -1.743 4.869 -3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.766 4.846 -6.892 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.390 5.398 -5.931 1.00 0.00 H new ATOM 134 N ILE A 8 -5.259 7.311 -1.923 1.00 0.00 N ATOM 135 CA ILE A 8 -6.300 8.336 -2.221 1.00 0.00 C ATOM 136 C ILE A 8 -5.648 9.696 -2.470 1.00 0.00 C ATOM 137 O ILE A 8 -4.904 10.199 -1.650 1.00 0.00 O ATOM 138 CB ILE A 8 -7.178 8.379 -0.970 1.00 0.00 C ATOM 139 CG1 ILE A 8 -8.038 7.114 -0.908 1.00 0.00 C ATOM 140 CG2 ILE A 8 -8.085 9.610 -1.023 1.00 0.00 C ATOM 141 CD1 ILE A 8 -8.294 6.740 0.553 1.00 0.00 C ATOM 0 H ILE A 8 -5.067 7.162 -0.932 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.875 8.095 -3.115 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.545 8.433 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.984 7.280 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.535 6.294 -1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.710 9.640 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.473 10.511 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.718 9.557 -1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.906 5.839 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.343 6.557 1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.815 7.557 1.052 1.00 0.00 H new ATOM 153 N VAL A 9 -5.923 10.298 -3.595 1.00 0.00 N ATOM 154 CA VAL A 9 -5.320 11.627 -3.893 1.00 0.00 C ATOM 155 C VAL A 9 -6.393 12.715 -3.824 1.00 0.00 C ATOM 156 O VAL A 9 -7.453 12.596 -4.406 1.00 0.00 O ATOM 157 CB VAL A 9 -4.749 11.497 -5.310 1.00 0.00 C ATOM 158 CG1 VAL A 9 -4.684 12.872 -5.983 1.00 0.00 C ATOM 159 CG2 VAL A 9 -3.338 10.918 -5.227 1.00 0.00 C ATOM 0 H VAL A 9 -6.538 9.927 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.547 11.907 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.394 10.842 -5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.277 12.766 -6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.686 13.297 -6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.043 13.533 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.924 10.822 -6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.707 11.582 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.375 9.936 -4.755 1.00 0.00 H new ATOM 169 N LEU A 10 -6.123 13.775 -3.116 1.00 0.00 N ATOM 170 CA LEU A 10 -7.125 14.873 -3.008 1.00 0.00 C ATOM 171 C LEU A 10 -6.457 16.228 -3.247 1.00 0.00 C ATOM 172 O LEU A 10 -5.252 16.364 -3.163 1.00 0.00 O ATOM 173 CB LEU A 10 -7.683 14.798 -1.583 1.00 0.00 C ATOM 174 CG LEU A 10 -6.588 14.368 -0.603 1.00 0.00 C ATOM 175 CD1 LEU A 10 -5.499 15.441 -0.549 1.00 0.00 C ATOM 176 CD2 LEU A 10 -7.197 14.190 0.791 1.00 0.00 C ATOM 0 H LEU A 10 -5.253 13.929 -2.607 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.915 14.767 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.081 15.769 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.511 14.090 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.152 13.426 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.720 15.134 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.067 15.571 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.933 16.384 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.420 13.884 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.632 15.133 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.973 13.426 0.754 1.00 0.00 H new ATOM 188 N ASN A 11 -7.235 17.230 -3.547 1.00 0.00 N ATOM 189 CA ASN A 11 -6.654 18.580 -3.799 1.00 0.00 C ATOM 190 C ASN A 11 -6.046 19.147 -2.511 1.00 0.00 C ATOM 191 O ASN A 11 -6.706 19.225 -1.495 1.00 0.00 O ATOM 192 CB ASN A 11 -7.832 19.436 -4.261 1.00 0.00 C ATOM 193 CG ASN A 11 -7.785 19.588 -5.782 1.00 0.00 C ATOM 194 OD1 ASN A 11 -6.985 18.956 -6.442 1.00 0.00 O ATOM 195 ND2 ASN A 11 -8.614 20.405 -6.371 1.00 0.00 N ATOM 0 H ASN A 11 -8.250 17.173 -3.629 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.854 18.554 -4.539 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.772 18.973 -3.960 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.792 20.416 -3.785 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.590 20.513 -7.385 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.286 20.936 -5.818 1.00 0.00 H new ATOM 202 N PRO A 12 -4.798 19.529 -2.603 1.00 0.00 N ATOM 203 CA PRO A 12 -4.087 20.098 -1.439 1.00 0.00 C ATOM 204 C PRO A 12 -4.384 21.592 -1.314 1.00 0.00 C ATOM 205 O PRO A 12 -3.493 22.405 -1.167 1.00 0.00 O ATOM 206 CB PRO A 12 -2.619 19.863 -1.775 1.00 0.00 C ATOM 207 CG PRO A 12 -2.554 19.774 -3.272 1.00 0.00 C ATOM 208 CD PRO A 12 -3.941 19.464 -3.787 1.00 0.00 C ATOM 0 HA PRO A 12 -4.382 19.649 -0.490 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.997 20.678 -1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.253 18.946 -1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.193 20.712 -3.693 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.853 18.997 -3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.254 20.185 -4.542 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.980 18.479 -4.251 1.00 0.00 H new ATOM 216 N ASN A 13 -5.632 21.954 -1.371 1.00 0.00 N ATOM 217 CA ASN A 13 -6.001 23.394 -1.257 1.00 0.00 C ATOM 218 C ASN A 13 -6.169 23.784 0.216 1.00 0.00 C ATOM 219 O ASN A 13 -5.691 24.811 0.654 1.00 0.00 O ATOM 220 CB ASN A 13 -7.329 23.516 -2.003 1.00 0.00 C ATOM 221 CG ASN A 13 -7.480 24.936 -2.554 1.00 0.00 C ATOM 222 OD1 ASN A 13 -7.122 25.952 -1.817 1.00 0.00 O flip ATOM 223 ND2 ASN A 13 -7.927 25.123 -3.668 1.00 0.00 N flip ATOM 0 H ASN A 13 -6.417 21.314 -1.492 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.238 24.053 -1.671 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.368 22.793 -2.818 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.157 23.285 -1.333 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.207 24.330 -4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.022 26.073 -4.026 1.00 0.00 H new ATOM 230 N LEU A 14 -6.848 22.973 0.980 1.00 0.00 N ATOM 231 CA LEU A 14 -7.049 23.297 2.423 1.00 0.00 C ATOM 232 C LEU A 14 -5.704 23.348 3.154 1.00 0.00 C ATOM 233 O LEU A 14 -4.731 22.758 2.725 1.00 0.00 O ATOM 234 CB LEU A 14 -7.908 22.155 2.966 1.00 0.00 C ATOM 235 CG LEU A 14 -9.314 22.673 3.279 1.00 0.00 C ATOM 236 CD1 LEU A 14 -9.819 23.530 2.116 1.00 0.00 C ATOM 237 CD2 LEU A 14 -10.258 21.486 3.483 1.00 0.00 C ATOM 0 H LEU A 14 -7.273 22.100 0.668 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.520 24.270 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.961 21.348 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.453 21.741 3.866 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.283 23.277 4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.820 23.897 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.147 24.376 1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.850 22.929 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.260 21.852 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.286 20.883 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.901 20.876 4.313 1.00 0.00 H new ATOM 249 N ASP A 15 -5.643 24.048 4.254 1.00 0.00 N ATOM 250 CA ASP A 15 -4.362 24.137 5.012 1.00 0.00 C ATOM 251 C ASP A 15 -4.141 22.860 5.829 1.00 0.00 C ATOM 252 O ASP A 15 -4.927 21.935 5.780 1.00 0.00 O ATOM 253 CB ASP A 15 -4.527 25.347 5.933 1.00 0.00 C ATOM 254 CG ASP A 15 -5.734 25.135 6.849 1.00 0.00 C ATOM 255 OD1 ASP A 15 -5.748 24.143 7.559 1.00 0.00 O ATOM 256 OD2 ASP A 15 -6.625 25.969 6.825 1.00 0.00 O ATOM 0 H ASP A 15 -6.425 24.562 4.661 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.499 24.244 4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.626 25.488 6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.662 26.252 5.340 1.00 0.00 H new ATOM 261 N GLN A 16 -3.072 22.801 6.577 1.00 0.00 N ATOM 262 CA GLN A 16 -2.800 21.581 7.393 1.00 0.00 C ATOM 263 C GLN A 16 -3.936 21.344 8.389 1.00 0.00 C ATOM 264 O GLN A 16 -4.446 20.250 8.518 1.00 0.00 O ATOM 265 CB GLN A 16 -1.497 21.879 8.137 1.00 0.00 C ATOM 266 CG GLN A 16 -0.473 22.462 7.163 1.00 0.00 C ATOM 267 CD GLN A 16 0.735 21.530 7.073 1.00 0.00 C ATOM 268 OE1 GLN A 16 0.617 20.341 7.295 1.00 0.00 O ATOM 269 NE2 GLN A 16 1.901 22.023 6.756 1.00 0.00 N ATOM 0 H GLN A 16 -2.376 23.543 6.659 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.723 20.686 6.776 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.683 22.582 8.949 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.107 20.967 8.588 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.923 22.587 6.178 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.159 23.450 7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.999 23.021 6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.714 21.410 6.694 1.00 0.00 H new ATOM 278 N SER A 17 -4.332 22.366 9.095 1.00 0.00 N ATOM 279 CA SER A 17 -5.430 22.206 10.084 1.00 0.00 C ATOM 280 C SER A 17 -6.677 21.636 9.406 1.00 0.00 C ATOM 281 O SER A 17 -7.316 20.737 9.914 1.00 0.00 O ATOM 282 CB SER A 17 -5.700 23.617 10.606 1.00 0.00 C ATOM 283 OG SER A 17 -6.606 24.276 9.731 1.00 0.00 O ATOM 0 H SER A 17 -3.941 23.306 9.029 1.00 0.00 H new ATOM 0 HA SER A 17 -5.165 21.518 10.886 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.116 23.571 11.612 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.767 24.177 10.672 1.00 0.00 H new ATOM 0 HG SER A 17 -6.214 24.331 8.835 1.00 0.00 H new ATOM 289 N GLN A 18 -7.027 22.152 8.259 1.00 0.00 N ATOM 290 CA GLN A 18 -8.233 21.638 7.549 1.00 0.00 C ATOM 291 C GLN A 18 -8.008 20.188 7.116 1.00 0.00 C ATOM 292 O GLN A 18 -8.857 19.337 7.294 1.00 0.00 O ATOM 293 CB GLN A 18 -8.390 22.544 6.328 1.00 0.00 C ATOM 294 CG GLN A 18 -8.793 23.948 6.785 1.00 0.00 C ATOM 295 CD GLN A 18 -10.169 23.894 7.450 1.00 0.00 C ATOM 296 OE1 GLN A 18 -10.776 22.844 7.534 1.00 0.00 O ATOM 297 NE2 GLN A 18 -10.691 24.989 7.931 1.00 0.00 N ATOM 0 H GLN A 18 -6.531 22.906 7.784 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.122 21.649 8.180 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.455 22.586 5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.145 22.138 5.655 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.055 24.340 7.485 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.816 24.627 5.932 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.182 25.870 7.861 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.608 24.964 8.377 1.00 0.00 H new ATOM 306 N LEU A 19 -6.869 19.900 6.552 1.00 0.00 N ATOM 307 CA LEU A 19 -6.589 18.504 6.109 1.00 0.00 C ATOM 308 C LEU A 19 -6.498 17.570 7.319 1.00 0.00 C ATOM 309 O LEU A 19 -6.896 16.424 7.263 1.00 0.00 O ATOM 310 CB LEU A 19 -5.242 18.576 5.388 1.00 0.00 C ATOM 311 CG LEU A 19 -4.978 17.251 4.669 1.00 0.00 C ATOM 312 CD1 LEU A 19 -5.008 17.474 3.157 1.00 0.00 C ATOM 313 CD2 LEU A 19 -3.603 16.716 5.075 1.00 0.00 C ATOM 0 H LEU A 19 -6.119 20.570 6.378 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.376 18.113 5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.244 19.397 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.445 18.779 6.103 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.747 16.530 4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.820 16.530 2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.986 17.856 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.239 18.196 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.414 15.772 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.835 17.439 4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.579 16.555 6.153 1.00 0.00 H new ATOM 325 N ALA A 20 -5.970 18.045 8.411 1.00 0.00 N ATOM 326 CA ALA A 20 -5.849 17.180 9.612 1.00 0.00 C ATOM 327 C ALA A 20 -7.229 16.693 10.063 1.00 0.00 C ATOM 328 O ALA A 20 -7.380 15.586 10.540 1.00 0.00 O ATOM 329 CB ALA A 20 -5.219 18.071 10.682 1.00 0.00 C ATOM 0 H ALA A 20 -5.617 18.996 8.522 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.250 16.290 9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.096 17.502 11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.245 18.419 10.338 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.866 18.928 10.868 1.00 0.00 H new ATOM 335 N LEU A 21 -8.234 17.515 9.929 1.00 0.00 N ATOM 336 CA LEU A 21 -9.594 17.104 10.364 1.00 0.00 C ATOM 337 C LEU A 21 -10.132 15.968 9.479 1.00 0.00 C ATOM 338 O LEU A 21 -10.775 15.054 9.956 1.00 0.00 O ATOM 339 CB LEU A 21 -10.452 18.380 10.258 1.00 0.00 C ATOM 340 CG LEU A 21 -11.288 18.385 8.971 1.00 0.00 C ATOM 341 CD1 LEU A 21 -12.493 17.457 9.141 1.00 0.00 C ATOM 342 CD2 LEU A 21 -11.779 19.805 8.688 1.00 0.00 C ATOM 0 H LEU A 21 -8.169 18.454 9.536 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.603 16.708 11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.112 18.450 11.123 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.806 19.258 10.278 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.675 18.038 8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.087 17.461 8.227 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.146 16.444 9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.106 17.805 9.973 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.373 19.809 7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.392 20.151 9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.923 20.469 8.567 1.00 0.00 H new ATOM 354 N GLU A 22 -9.879 16.018 8.200 1.00 0.00 N ATOM 355 CA GLU A 22 -10.386 14.937 7.306 1.00 0.00 C ATOM 356 C GLU A 22 -9.597 13.647 7.540 1.00 0.00 C ATOM 357 O GLU A 22 -10.081 12.560 7.297 1.00 0.00 O ATOM 358 CB GLU A 22 -10.178 15.456 5.880 1.00 0.00 C ATOM 359 CG GLU A 22 -8.685 15.651 5.611 1.00 0.00 C ATOM 360 CD GLU A 22 -8.379 15.315 4.152 1.00 0.00 C ATOM 361 OE1 GLU A 22 -9.297 15.357 3.348 1.00 0.00 O ATOM 362 OE2 GLU A 22 -7.231 15.023 3.859 1.00 0.00 O ATOM 0 H GLU A 22 -9.347 16.755 7.737 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.434 14.704 7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.597 14.751 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.707 16.400 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.398 16.680 5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.100 15.012 6.272 1.00 0.00 H new ATOM 369 N LYS A 23 -8.388 13.758 8.020 1.00 0.00 N ATOM 370 CA LYS A 23 -7.578 12.533 8.280 1.00 0.00 C ATOM 371 C LYS A 23 -8.197 11.750 9.438 1.00 0.00 C ATOM 372 O LYS A 23 -8.237 10.535 9.432 1.00 0.00 O ATOM 373 CB LYS A 23 -6.187 13.047 8.656 1.00 0.00 C ATOM 374 CG LYS A 23 -5.185 12.653 7.570 1.00 0.00 C ATOM 375 CD LYS A 23 -5.597 13.291 6.243 1.00 0.00 C ATOM 376 CE LYS A 23 -6.061 12.202 5.273 1.00 0.00 C ATOM 377 NZ LYS A 23 -4.887 11.944 4.392 1.00 0.00 N ATOM 0 H LYS A 23 -7.927 14.640 8.243 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.538 11.864 7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.207 14.131 8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.881 12.631 9.616 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.183 12.980 7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.149 11.568 7.469 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.398 14.011 6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.758 13.840 5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.360 11.300 5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.924 12.531 4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.128 11.207 3.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.629 12.819 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.083 11.626 4.970 1.00 0.00 H new ATOM 391 N GLU A 24 -8.686 12.441 10.430 1.00 0.00 N ATOM 392 CA GLU A 24 -9.312 11.748 11.592 1.00 0.00 C ATOM 393 C GLU A 24 -10.704 11.231 11.212 1.00 0.00 C ATOM 394 O GLU A 24 -11.093 10.141 11.582 1.00 0.00 O ATOM 395 CB GLU A 24 -9.415 12.817 12.680 1.00 0.00 C ATOM 396 CG GLU A 24 -8.568 12.406 13.886 1.00 0.00 C ATOM 397 CD GLU A 24 -7.474 13.449 14.122 1.00 0.00 C ATOM 398 OE1 GLU A 24 -6.571 13.527 13.305 1.00 0.00 O ATOM 399 OE2 GLU A 24 -7.558 14.151 15.115 1.00 0.00 O ATOM 0 H GLU A 24 -8.679 13.459 10.487 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.732 10.886 11.921 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.074 13.777 12.294 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.455 12.946 12.980 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.197 12.317 14.772 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.121 11.427 13.713 1.00 0.00 H new ATOM 406 N ILE A 25 -11.459 12.008 10.481 1.00 0.00 N ATOM 407 CA ILE A 25 -12.827 11.569 10.082 1.00 0.00 C ATOM 408 C ILE A 25 -12.752 10.388 9.109 1.00 0.00 C ATOM 409 O ILE A 25 -13.437 9.396 9.268 1.00 0.00 O ATOM 410 CB ILE A 25 -13.441 12.789 9.395 1.00 0.00 C ATOM 411 CG1 ILE A 25 -13.694 13.886 10.430 1.00 0.00 C ATOM 412 CG2 ILE A 25 -14.763 12.392 8.742 1.00 0.00 C ATOM 413 CD1 ILE A 25 -14.808 13.445 11.382 1.00 0.00 C ATOM 0 H ILE A 25 -11.186 12.930 10.142 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.417 11.233 10.935 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.755 13.160 8.634 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.781 14.089 10.991 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.974 14.814 9.931 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -15.202 13.261 8.252 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.584 11.611 8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.448 12.021 9.504 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -14.988 14.228 12.119 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -15.721 13.264 10.815 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.510 12.528 11.891 1.00 0.00 H new ATOM 425 N ILE A 26 -11.931 10.490 8.101 1.00 0.00 N ATOM 426 CA ILE A 26 -11.816 9.378 7.112 1.00 0.00 C ATOM 427 C ILE A 26 -11.359 8.089 7.803 1.00 0.00 C ATOM 428 O ILE A 26 -11.779 7.003 7.454 1.00 0.00 O ATOM 429 CB ILE A 26 -10.761 9.852 6.114 1.00 0.00 C ATOM 430 CG1 ILE A 26 -10.604 8.810 5.004 1.00 0.00 C ATOM 431 CG2 ILE A 26 -9.423 10.034 6.834 1.00 0.00 C ATOM 432 CD1 ILE A 26 -10.620 9.508 3.642 1.00 0.00 C ATOM 0 H ILE A 26 -11.333 11.296 7.918 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.768 9.154 6.631 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.073 10.802 5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.670 8.263 5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.411 8.080 5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.670 10.372 6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.533 10.776 7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.111 9.084 7.268 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.508 8.766 2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.566 10.035 3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.797 10.221 3.589 1.00 0.00 H new ATOM 444 N GLN A 27 -10.499 8.201 8.776 1.00 0.00 N ATOM 445 CA GLN A 27 -10.008 6.985 9.488 1.00 0.00 C ATOM 446 C GLN A 27 -11.149 6.310 10.257 1.00 0.00 C ATOM 447 O GLN A 27 -11.220 5.102 10.346 1.00 0.00 O ATOM 448 CB GLN A 27 -8.941 7.497 10.458 1.00 0.00 C ATOM 449 CG GLN A 27 -7.587 6.880 10.102 1.00 0.00 C ATOM 450 CD GLN A 27 -6.491 7.534 10.946 1.00 0.00 C ATOM 451 OE1 GLN A 27 -5.941 6.915 11.834 1.00 0.00 O ATOM 452 NE2 GLN A 27 -6.147 8.769 10.703 1.00 0.00 N ATOM 0 H GLN A 27 -10.113 9.084 9.111 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.613 6.241 8.797 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.881 8.584 10.408 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.212 7.239 11.482 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.607 5.805 10.282 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.378 7.022 9.042 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.609 9.290 9.957 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.416 9.214 11.259 1.00 0.00 H new ATOM 461 N ARG A 28 -12.035 7.084 10.822 1.00 0.00 N ATOM 462 CA ARG A 28 -13.161 6.488 11.600 1.00 0.00 C ATOM 463 C ARG A 28 -14.012 5.563 10.721 1.00 0.00 C ATOM 464 O ARG A 28 -14.421 4.501 11.144 1.00 0.00 O ATOM 465 CB ARG A 28 -13.990 7.684 12.069 1.00 0.00 C ATOM 466 CG ARG A 28 -13.187 8.498 13.086 1.00 0.00 C ATOM 467 CD ARG A 28 -13.941 9.786 13.422 1.00 0.00 C ATOM 468 NE ARG A 28 -14.368 9.622 14.838 1.00 0.00 N ATOM 469 CZ ARG A 28 -14.650 10.671 15.561 1.00 0.00 C ATOM 470 NH1 ARG A 28 -15.545 11.526 15.151 1.00 0.00 N ATOM 471 NH2 ARG A 28 -14.036 10.863 16.697 1.00 0.00 N ATOM 0 H ARG A 28 -12.029 8.103 10.779 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.800 5.879 12.429 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.258 8.310 11.218 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.922 7.340 12.518 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.027 7.912 13.991 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.203 8.736 12.681 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.302 10.661 13.301 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.799 9.924 12.764 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.440 8.689 15.244 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.026 11.375 14.264 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.764 12.346 15.717 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.337 10.193 17.018 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.255 11.683 17.263 1.00 0.00 H new ATOM 485 N ALA A 29 -14.297 5.957 9.511 1.00 0.00 N ATOM 486 CA ALA A 29 -15.133 5.098 8.631 1.00 0.00 C ATOM 487 C ALA A 29 -14.431 3.771 8.347 1.00 0.00 C ATOM 488 O ALA A 29 -15.058 2.732 8.288 1.00 0.00 O ATOM 489 CB ALA A 29 -15.320 5.899 7.343 1.00 0.00 C ATOM 0 H ALA A 29 -13.987 6.835 9.095 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.088 4.850 9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.929 5.326 6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.818 6.842 7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.347 6.101 6.896 1.00 0.00 H new ATOM 495 N LEU A 30 -13.138 3.783 8.193 1.00 0.00 N ATOM 496 CA LEU A 30 -12.431 2.494 7.938 1.00 0.00 C ATOM 497 C LEU A 30 -12.809 1.552 9.065 1.00 0.00 C ATOM 498 O LEU A 30 -13.055 0.377 8.880 1.00 0.00 O ATOM 499 CB LEU A 30 -10.923 2.801 7.983 1.00 0.00 C ATOM 500 CG LEU A 30 -10.614 4.160 7.339 1.00 0.00 C ATOM 501 CD1 LEU A 30 -9.177 4.160 6.816 1.00 0.00 C ATOM 502 CD2 LEU A 30 -11.575 4.420 6.178 1.00 0.00 C ATOM 0 H LEU A 30 -12.546 4.613 8.231 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.692 2.045 6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.579 2.799 9.017 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.374 2.016 7.463 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.735 4.944 8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.956 5.124 6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.489 3.985 7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.060 3.371 6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.348 5.386 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.462 3.635 5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.600 4.424 6.548 1.00 0.00 H new ATOM 514 N GLU A 31 -12.861 2.099 10.240 1.00 0.00 N ATOM 515 CA GLU A 31 -13.232 1.306 11.434 1.00 0.00 C ATOM 516 C GLU A 31 -14.712 0.914 11.383 1.00 0.00 C ATOM 517 O GLU A 31 -15.090 -0.163 11.798 1.00 0.00 O ATOM 518 CB GLU A 31 -12.968 2.235 12.617 1.00 0.00 C ATOM 519 CG GLU A 31 -11.466 2.506 12.730 1.00 0.00 C ATOM 520 CD GLU A 31 -10.998 2.200 14.153 1.00 0.00 C ATOM 521 OE1 GLU A 31 -11.581 2.742 15.078 1.00 0.00 O ATOM 522 OE2 GLU A 31 -10.062 1.429 14.295 1.00 0.00 O ATOM 0 H GLU A 31 -12.658 3.081 10.426 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.665 0.378 11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.508 3.172 12.484 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.337 1.782 13.537 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.920 1.890 12.016 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.254 3.546 12.482 1.00 0.00 H new ATOM 529 N ASN A 32 -15.557 1.785 10.891 1.00 0.00 N ATOM 530 CA ASN A 32 -17.004 1.464 10.834 1.00 0.00 C ATOM 531 C ASN A 32 -17.248 0.244 9.947 1.00 0.00 C ATOM 532 O ASN A 32 -18.046 -0.617 10.262 1.00 0.00 O ATOM 533 CB ASN A 32 -17.661 2.706 10.232 1.00 0.00 C ATOM 534 CG ASN A 32 -19.135 2.751 10.639 1.00 0.00 C ATOM 535 OD1 ASN A 32 -19.471 3.257 11.691 1.00 0.00 O ATOM 536 ND2 ASN A 32 -20.035 2.237 9.846 1.00 0.00 N ATOM 0 H ASN A 32 -15.301 2.703 10.528 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.409 1.222 11.817 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.150 3.605 10.577 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.573 2.687 9.146 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -21.020 2.260 10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.753 1.812 8.963 1.00 0.00 H new ATOM 543 N TYR A 33 -16.578 0.169 8.833 1.00 0.00 N ATOM 544 CA TYR A 33 -16.767 -0.968 7.922 1.00 0.00 C ATOM 545 C TYR A 33 -16.073 -2.220 8.464 1.00 0.00 C ATOM 546 O TYR A 33 -16.087 -3.265 7.847 1.00 0.00 O ATOM 547 CB TYR A 33 -16.111 -0.489 6.640 1.00 0.00 C ATOM 548 CG TYR A 33 -17.085 -0.631 5.501 1.00 0.00 C ATOM 549 CD1 TYR A 33 -17.136 -1.814 4.757 1.00 0.00 C ATOM 550 CD2 TYR A 33 -17.945 0.428 5.197 1.00 0.00 C ATOM 551 CE1 TYR A 33 -18.052 -1.937 3.706 1.00 0.00 C ATOM 552 CE2 TYR A 33 -18.859 0.307 4.149 1.00 0.00 C ATOM 553 CZ TYR A 33 -18.914 -0.875 3.401 1.00 0.00 C ATOM 554 OH TYR A 33 -19.820 -0.995 2.369 1.00 0.00 O ATOM 0 H TYR A 33 -15.899 0.863 8.519 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.812 -1.248 7.789 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.802 0.551 6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.211 -1.070 6.439 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -16.470 -2.631 4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -17.902 1.340 5.773 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.095 -2.850 3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -19.524 1.125 3.915 1.00 0.00 H new ATOM 0 HH TYR A 33 -20.011 -1.943 2.210 1.00 0.00 H new ATOM 564 N GLY A 34 -15.471 -2.123 9.617 1.00 0.00 N ATOM 565 CA GLY A 34 -14.785 -3.301 10.198 1.00 0.00 C ATOM 566 C GLY A 34 -13.394 -3.453 9.577 1.00 0.00 C ATOM 567 O GLY A 34 -12.757 -4.479 9.702 1.00 0.00 O ATOM 0 H GLY A 34 -15.427 -1.274 10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.700 -3.187 11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.373 -4.201 10.018 1.00 0.00 H new ATOM 571 N ALA A 35 -12.915 -2.438 8.908 1.00 0.00 N ATOM 572 CA ALA A 35 -11.563 -2.527 8.282 1.00 0.00 C ATOM 573 C ALA A 35 -10.512 -1.905 9.207 1.00 0.00 C ATOM 574 O ALA A 35 -10.705 -0.834 9.747 1.00 0.00 O ATOM 575 CB ALA A 35 -11.673 -1.731 6.982 1.00 0.00 C ATOM 0 H ALA A 35 -13.401 -1.552 8.768 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.258 -3.558 8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.715 -1.749 6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.439 -2.176 6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.943 -0.700 7.209 1.00 0.00 H new ATOM 581 N ARG A 36 -9.406 -2.570 9.401 1.00 0.00 N ATOM 582 CA ARG A 36 -8.354 -2.019 10.301 1.00 0.00 C ATOM 583 C ARG A 36 -7.034 -1.860 9.549 1.00 0.00 C ATOM 584 O ARG A 36 -6.644 -2.699 8.760 1.00 0.00 O ATOM 585 CB ARG A 36 -8.185 -3.038 11.419 1.00 0.00 C ATOM 586 CG ARG A 36 -9.535 -3.675 11.767 1.00 0.00 C ATOM 587 CD ARG A 36 -9.620 -5.068 11.137 1.00 0.00 C ATOM 588 NE ARG A 36 -10.933 -5.610 11.583 1.00 0.00 N ATOM 589 CZ ARG A 36 -10.991 -6.424 12.602 1.00 0.00 C ATOM 590 NH1 ARG A 36 -11.048 -5.947 13.815 1.00 0.00 N ATOM 591 NH2 ARG A 36 -10.994 -7.714 12.406 1.00 0.00 N ATOM 0 H ARG A 36 -9.186 -3.470 8.975 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.637 -1.037 10.681 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.479 -3.810 11.113 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.765 -2.554 12.301 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.647 -3.746 12.849 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.349 -3.049 11.402 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.563 -5.014 10.050 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.798 -5.702 11.468 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.787 -5.345 11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.047 -4.938 13.967 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.093 -6.583 14.611 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.951 -8.086 11.457 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.039 -8.351 13.202 1.00 0.00 H new ATOM 605 N VAL A 37 -6.347 -0.789 9.799 1.00 0.00 N ATOM 606 CA VAL A 37 -5.040 -0.552 9.120 1.00 0.00 C ATOM 607 C VAL A 37 -3.892 -1.018 10.015 1.00 0.00 C ATOM 608 O VAL A 37 -3.701 -0.519 11.106 1.00 0.00 O ATOM 609 CB VAL A 37 -4.972 0.962 8.912 1.00 0.00 C ATOM 610 CG1 VAL A 37 -3.560 1.355 8.474 1.00 0.00 C ATOM 611 CG2 VAL A 37 -5.973 1.370 7.828 1.00 0.00 C ATOM 0 H VAL A 37 -6.633 -0.057 10.450 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.956 -1.098 8.180 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.216 1.469 9.845 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.512 2.434 8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.846 1.062 9.243 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.315 0.849 7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.927 2.449 7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.726 0.863 6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.980 1.090 8.138 1.00 0.00 H new ATOM 621 N GLU A 38 -3.124 -1.968 9.562 1.00 0.00 N ATOM 622 CA GLU A 38 -1.988 -2.458 10.391 1.00 0.00 C ATOM 623 C GLU A 38 -0.842 -1.447 10.350 1.00 0.00 C ATOM 624 O GLU A 38 -0.069 -1.331 11.280 1.00 0.00 O ATOM 625 CB GLU A 38 -1.566 -3.780 9.751 1.00 0.00 C ATOM 626 CG GLU A 38 -1.473 -4.860 10.829 1.00 0.00 C ATOM 627 CD GLU A 38 -1.987 -6.188 10.271 1.00 0.00 C ATOM 628 OE1 GLU A 38 -2.842 -6.151 9.402 1.00 0.00 O ATOM 629 OE2 GLU A 38 -1.517 -7.219 10.722 1.00 0.00 O ATOM 0 H GLU A 38 -3.233 -2.425 8.657 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.263 -2.589 11.438 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.287 -4.074 8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.604 -3.664 9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.440 -4.969 11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.059 -4.569 11.701 1.00 0.00 H new ATOM 636 N LYS A 39 -0.731 -0.711 9.278 1.00 0.00 N ATOM 637 CA LYS A 39 0.363 0.298 9.176 1.00 0.00 C ATOM 638 C LYS A 39 0.068 1.297 8.055 1.00 0.00 C ATOM 639 O LYS A 39 -0.742 1.051 7.183 1.00 0.00 O ATOM 640 CB LYS A 39 1.620 -0.505 8.847 1.00 0.00 C ATOM 641 CG LYS A 39 2.343 -0.878 10.142 1.00 0.00 C ATOM 642 CD LYS A 39 2.393 -2.398 10.270 1.00 0.00 C ATOM 643 CE LYS A 39 3.784 -2.894 9.867 1.00 0.00 C ATOM 644 NZ LYS A 39 3.550 -4.201 9.195 1.00 0.00 N ATOM 0 H LYS A 39 -1.350 -0.764 8.469 1.00 0.00 H new ATOM 0 HA LYS A 39 0.471 0.873 10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.354 -1.406 8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.280 0.079 8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.353 -0.468 10.140 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.826 -0.446 10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.171 -2.696 11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.634 -2.853 9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.275 -2.189 9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.429 -3.008 10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.430 -4.521 8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.247 -4.904 9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.810 -4.092 8.473 1.00 0.00 H new ATOM 658 N VAL A 40 0.730 2.421 8.070 1.00 0.00 N ATOM 659 CA VAL A 40 0.508 3.438 7.003 1.00 0.00 C ATOM 660 C VAL A 40 1.857 3.948 6.488 1.00 0.00 C ATOM 661 O VAL A 40 2.752 4.244 7.254 1.00 0.00 O ATOM 662 CB VAL A 40 -0.275 4.565 7.678 1.00 0.00 C ATOM 663 CG1 VAL A 40 -0.508 5.695 6.672 1.00 0.00 C ATOM 664 CG2 VAL A 40 -1.626 4.030 8.160 1.00 0.00 C ATOM 0 H VAL A 40 1.417 2.680 8.778 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.032 3.034 6.147 1.00 0.00 H new ATOM 0 HB VAL A 40 0.292 4.943 8.529 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.066 6.499 7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.452 6.076 6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.076 5.315 5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.185 4.833 8.641 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.193 3.653 7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.464 3.222 8.874 1.00 0.00 H new ATOM 674 N GLU A 41 2.015 4.047 5.196 1.00 0.00 N ATOM 675 CA GLU A 41 3.313 4.532 4.640 1.00 0.00 C ATOM 676 C GLU A 41 3.339 6.061 4.596 1.00 0.00 C ATOM 677 O GLU A 41 2.378 6.697 4.211 1.00 0.00 O ATOM 678 CB GLU A 41 3.372 3.960 3.224 1.00 0.00 C ATOM 679 CG GLU A 41 4.755 3.357 2.972 1.00 0.00 C ATOM 680 CD GLU A 41 5.617 4.358 2.202 1.00 0.00 C ATOM 681 OE1 GLU A 41 5.397 5.548 2.364 1.00 0.00 O ATOM 682 OE2 GLU A 41 6.483 3.920 1.463 1.00 0.00 O ATOM 0 H GLU A 41 1.304 3.814 4.502 1.00 0.00 H new ATOM 0 HA GLU A 41 4.162 4.219 5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.603 3.198 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.168 4.744 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.231 3.105 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.661 2.431 2.405 1.00 0.00 H new ATOM 689 N GLU A 42 4.436 6.658 4.979 1.00 0.00 N ATOM 690 CA GLU A 42 4.524 8.144 4.947 1.00 0.00 C ATOM 691 C GLU A 42 4.985 8.604 3.564 1.00 0.00 C ATOM 692 O GLU A 42 6.091 8.330 3.143 1.00 0.00 O ATOM 693 CB GLU A 42 5.566 8.505 6.007 1.00 0.00 C ATOM 694 CG GLU A 42 6.888 7.807 5.677 1.00 0.00 C ATOM 695 CD GLU A 42 7.972 8.857 5.421 1.00 0.00 C ATOM 696 OE1 GLU A 42 8.527 9.354 6.388 1.00 0.00 O ATOM 697 OE2 GLU A 42 8.228 9.144 4.264 1.00 0.00 O ATOM 0 H GLU A 42 5.273 6.180 5.312 1.00 0.00 H new ATOM 0 HA GLU A 42 3.565 8.623 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.710 9.585 6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.218 8.201 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.184 7.158 6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.767 7.173 4.799 1.00 0.00 H new ATOM 704 N LEU A 43 4.142 9.299 2.854 1.00 0.00 N ATOM 705 CA LEU A 43 4.532 9.776 1.492 1.00 0.00 C ATOM 706 C LEU A 43 5.167 11.172 1.570 1.00 0.00 C ATOM 707 O LEU A 43 6.313 11.319 1.947 1.00 0.00 O ATOM 708 CB LEU A 43 3.237 9.795 0.667 1.00 0.00 C ATOM 709 CG LEU A 43 2.085 10.378 1.491 1.00 0.00 C ATOM 710 CD1 LEU A 43 1.211 11.257 0.596 1.00 0.00 C ATOM 711 CD2 LEU A 43 1.242 9.237 2.068 1.00 0.00 C ATOM 0 H LEU A 43 3.202 9.558 3.154 1.00 0.00 H new ATOM 0 HA LEU A 43 5.277 9.126 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.383 10.388 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.988 8.783 0.347 1.00 0.00 H new ATOM 0 HG LEU A 43 2.489 10.979 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.391 11.672 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.811 12.069 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.807 10.657 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.422 9.651 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.838 8.635 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.865 8.611 2.707 1.00 0.00 H new ATOM 723 N GLY A 44 4.439 12.198 1.211 1.00 0.00 N ATOM 724 CA GLY A 44 5.008 13.573 1.256 1.00 0.00 C ATOM 725 C GLY A 44 4.548 14.338 0.016 1.00 0.00 C ATOM 726 O GLY A 44 5.226 14.373 -0.991 1.00 0.00 O ATOM 0 H GLY A 44 3.473 12.140 0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.681 14.087 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.097 13.530 1.290 1.00 0.00 H new ATOM 730 N LEU A 45 3.392 14.940 0.075 1.00 0.00 N ATOM 731 CA LEU A 45 2.881 15.689 -1.109 1.00 0.00 C ATOM 732 C LEU A 45 3.889 16.752 -1.552 1.00 0.00 C ATOM 733 O LEU A 45 4.795 17.110 -0.824 1.00 0.00 O ATOM 734 CB LEU A 45 1.574 16.336 -0.639 1.00 0.00 C ATOM 735 CG LEU A 45 1.875 17.560 0.231 1.00 0.00 C ATOM 736 CD1 LEU A 45 1.205 18.794 -0.376 1.00 0.00 C ATOM 737 CD2 LEU A 45 1.327 17.328 1.640 1.00 0.00 C ATOM 0 H LEU A 45 2.779 14.946 0.891 1.00 0.00 H new ATOM 0 HA LEU A 45 2.724 15.038 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.975 16.631 -1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.985 15.614 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 45 2.953 17.717 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.419 19.666 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.591 18.960 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.127 18.637 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.540 18.198 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.249 17.173 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.801 16.447 2.074 1.00 0.00 H new ATOM 749 N ARG A 46 3.730 17.264 -2.741 1.00 0.00 N ATOM 750 CA ARG A 46 4.665 18.312 -3.243 1.00 0.00 C ATOM 751 C ARG A 46 3.977 19.132 -4.346 1.00 0.00 C ATOM 752 O ARG A 46 2.995 19.804 -4.100 1.00 0.00 O ATOM 753 CB ARG A 46 5.871 17.543 -3.785 1.00 0.00 C ATOM 754 CG ARG A 46 7.015 18.522 -4.062 1.00 0.00 C ATOM 755 CD ARG A 46 8.045 17.863 -4.982 1.00 0.00 C ATOM 756 NE ARG A 46 9.171 17.480 -4.087 1.00 0.00 N ATOM 757 CZ ARG A 46 10.231 18.238 -4.009 1.00 0.00 C ATOM 758 NH1 ARG A 46 10.117 19.531 -4.136 1.00 0.00 N ATOM 759 NH2 ARG A 46 11.403 17.703 -3.806 1.00 0.00 N ATOM 0 H ARG A 46 2.989 17.001 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 46 4.966 19.019 -2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.189 16.789 -3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.599 17.016 -4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.626 19.429 -4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.487 18.820 -3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.625 16.991 -5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.376 18.550 -5.761 1.00 0.00 H new ATOM 0 HE ARG A 46 9.114 16.625 -3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.200 19.949 -4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.944 20.124 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.492 16.692 -3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.231 18.296 -3.745 1.00 0.00 H new ATOM 773 N ARG A 47 4.470 19.083 -5.558 1.00 0.00 N ATOM 774 CA ARG A 47 3.820 19.861 -6.652 1.00 0.00 C ATOM 775 C ARG A 47 4.419 19.474 -8.006 1.00 0.00 C ATOM 776 O ARG A 47 5.604 19.231 -8.126 1.00 0.00 O ATOM 777 CB ARG A 47 4.118 21.327 -6.331 1.00 0.00 C ATOM 778 CG ARG A 47 5.622 21.509 -6.121 1.00 0.00 C ATOM 779 CD ARG A 47 6.193 22.391 -7.234 1.00 0.00 C ATOM 780 NE ARG A 47 7.188 23.268 -6.557 1.00 0.00 N ATOM 781 CZ ARG A 47 8.393 23.384 -7.041 1.00 0.00 C ATOM 782 NH1 ARG A 47 8.599 24.098 -8.113 1.00 0.00 N ATOM 783 NH2 ARG A 47 9.393 22.787 -6.455 1.00 0.00 N ATOM 0 H ARG A 47 5.289 18.541 -5.834 1.00 0.00 H new ATOM 0 HA ARG A 47 2.749 19.669 -6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.774 21.965 -7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.576 21.632 -5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.811 21.965 -5.149 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.119 20.539 -6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.662 21.790 -8.013 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.410 22.979 -7.713 1.00 0.00 H new ATOM 0 HE ARG A 47 6.926 23.779 -5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.817 24.565 -8.572 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.542 24.189 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.233 22.228 -5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.335 22.879 -6.835 1.00 0.00 H new ATOM 797 N LEU A 48 3.609 19.415 -9.029 1.00 0.00 N ATOM 798 CA LEU A 48 4.130 19.045 -10.376 1.00 0.00 C ATOM 799 C LEU A 48 4.863 20.234 -11.004 1.00 0.00 C ATOM 800 O LEU A 48 4.279 21.264 -11.273 1.00 0.00 O ATOM 801 CB LEU A 48 2.892 18.690 -11.198 1.00 0.00 C ATOM 802 CG LEU A 48 2.632 17.187 -11.111 1.00 0.00 C ATOM 803 CD1 LEU A 48 1.243 16.876 -11.671 1.00 0.00 C ATOM 804 CD2 LEU A 48 3.689 16.438 -11.926 1.00 0.00 C ATOM 0 H LEU A 48 2.608 19.607 -8.990 1.00 0.00 H new ATOM 0 HA LEU A 48 4.840 18.219 -10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.027 19.241 -10.828 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.037 18.985 -12.237 1.00 0.00 H new ATOM 0 HG LEU A 48 2.684 16.870 -10.069 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.057 15.804 -11.609 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.489 17.409 -11.091 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.191 17.194 -12.712 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.504 15.366 -11.864 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.638 16.756 -12.967 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.679 16.659 -11.528 1.00 0.00 H new ATOM 816 N ALA A 49 6.138 20.099 -11.240 1.00 0.00 N ATOM 817 CA ALA A 49 6.904 21.224 -11.851 1.00 0.00 C ATOM 818 C ALA A 49 6.819 21.154 -13.378 1.00 0.00 C ATOM 819 O ALA A 49 6.256 20.233 -13.936 1.00 0.00 O ATOM 820 CB ALA A 49 8.344 21.021 -11.384 1.00 0.00 C ATOM 0 H ALA A 49 6.683 19.261 -11.037 1.00 0.00 H new ATOM 0 HA ALA A 49 6.514 22.198 -11.556 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.974 21.811 -11.793 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.381 21.054 -10.295 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.706 20.053 -11.731 1.00 0.00 H new ATOM 826 N TYR A 50 7.372 22.122 -14.058 1.00 0.00 N ATOM 827 CA TYR A 50 7.321 22.115 -15.548 1.00 0.00 C ATOM 828 C TYR A 50 7.586 20.703 -16.082 1.00 0.00 C ATOM 829 O TYR A 50 6.751 20.127 -16.751 1.00 0.00 O ATOM 830 CB TYR A 50 8.429 23.072 -15.988 1.00 0.00 C ATOM 831 CG TYR A 50 7.812 24.326 -16.561 1.00 0.00 C ATOM 832 CD1 TYR A 50 7.218 25.266 -15.710 1.00 0.00 C ATOM 833 CD2 TYR A 50 7.835 24.550 -17.944 1.00 0.00 C ATOM 834 CE1 TYR A 50 6.646 26.428 -16.242 1.00 0.00 C ATOM 835 CE2 TYR A 50 7.263 25.712 -18.474 1.00 0.00 C ATOM 836 CZ TYR A 50 6.669 26.652 -17.625 1.00 0.00 C ATOM 837 OH TYR A 50 6.104 27.797 -18.148 1.00 0.00 O ATOM 0 H TYR A 50 7.858 22.918 -13.645 1.00 0.00 H new ATOM 0 HA TYR A 50 6.346 22.419 -15.928 1.00 0.00 H new ATOM 0 HB2 TYR A 50 9.066 23.322 -15.140 1.00 0.00 H new ATOM 0 HB3 TYR A 50 9.064 22.593 -16.733 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.201 25.095 -14.644 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.294 23.826 -18.601 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.187 27.152 -15.586 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.280 25.883 -19.540 1.00 0.00 H new ATOM 0 HH TYR A 50 6.207 27.797 -19.123 1.00 0.00 H new ATOM 847 N PRO A 51 8.746 20.193 -15.765 1.00 0.00 N ATOM 848 CA PRO A 51 9.131 18.831 -16.218 1.00 0.00 C ATOM 849 C PRO A 51 8.239 17.778 -15.554 1.00 0.00 C ATOM 850 O PRO A 51 7.963 17.841 -14.373 1.00 0.00 O ATOM 851 CB PRO A 51 10.585 18.702 -15.762 1.00 0.00 C ATOM 852 CG PRO A 51 10.714 19.670 -14.632 1.00 0.00 C ATOM 853 CD PRO A 51 9.797 20.818 -14.956 1.00 0.00 C ATOM 0 HA PRO A 51 9.018 18.681 -17.292 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.811 17.685 -15.440 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.276 18.942 -16.570 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.436 19.204 -13.687 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.744 20.012 -14.528 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.391 21.276 -14.054 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.315 21.603 -15.507 1.00 0.00 H new ATOM 861 N ILE A 52 7.776 16.818 -16.306 1.00 0.00 N ATOM 862 CA ILE A 52 6.892 15.772 -15.713 1.00 0.00 C ATOM 863 C ILE A 52 7.493 14.378 -15.909 1.00 0.00 C ATOM 864 O ILE A 52 8.184 14.113 -16.873 1.00 0.00 O ATOM 865 CB ILE A 52 5.570 15.898 -16.468 1.00 0.00 C ATOM 866 CG1 ILE A 52 5.152 17.369 -16.512 1.00 0.00 C ATOM 867 CG2 ILE A 52 4.494 15.084 -15.749 1.00 0.00 C ATOM 868 CD1 ILE A 52 3.821 17.501 -17.254 1.00 0.00 C ATOM 0 H ILE A 52 7.970 16.711 -17.302 1.00 0.00 H new ATOM 0 HA ILE A 52 6.766 15.906 -14.639 1.00 0.00 H new ATOM 0 HB ILE A 52 5.691 15.522 -17.484 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.056 17.761 -15.499 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.919 17.961 -17.012 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.550 15.173 -16.287 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.794 14.037 -15.713 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.370 15.461 -14.734 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.524 18.549 -17.285 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.933 17.125 -18.271 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.056 16.922 -16.736 1.00 0.00 H new ATOM 880 N ALA A 53 7.229 13.485 -14.995 1.00 0.00 N ATOM 881 CA ALA A 53 7.776 12.103 -15.111 1.00 0.00 C ATOM 882 C ALA A 53 7.380 11.289 -13.877 1.00 0.00 C ATOM 883 O ALA A 53 6.401 10.568 -13.881 1.00 0.00 O ATOM 884 CB ALA A 53 9.292 12.282 -15.177 1.00 0.00 C ATOM 0 H ALA A 53 6.655 13.654 -14.169 1.00 0.00 H new ATOM 0 HA ALA A 53 7.396 11.572 -15.983 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.770 11.306 -15.264 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.549 12.890 -16.044 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.640 12.777 -14.270 1.00 0.00 H new ATOM 890 N LYS A 54 8.127 11.408 -12.815 1.00 0.00 N ATOM 891 CA LYS A 54 7.789 10.656 -11.573 1.00 0.00 C ATOM 892 C LYS A 54 7.751 11.619 -10.386 1.00 0.00 C ATOM 893 O LYS A 54 8.364 11.389 -9.361 1.00 0.00 O ATOM 894 CB LYS A 54 8.910 9.630 -11.405 1.00 0.00 C ATOM 895 CG LYS A 54 10.263 10.301 -11.648 1.00 0.00 C ATOM 896 CD LYS A 54 11.305 9.708 -10.696 1.00 0.00 C ATOM 897 CE LYS A 54 11.624 8.270 -11.119 1.00 0.00 C ATOM 898 NZ LYS A 54 12.854 8.364 -11.959 1.00 0.00 N ATOM 0 H LYS A 54 8.959 11.995 -12.753 1.00 0.00 H new ATOM 0 HA LYS A 54 6.814 10.173 -11.628 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.879 9.204 -10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.770 8.807 -12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.574 10.153 -12.682 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.181 11.376 -11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.212 10.312 -10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.929 9.722 -9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.790 7.633 -10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.798 7.834 -11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.127 7.414 -12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.666 8.969 -12.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.627 8.775 -11.398 1.00 0.00 H new ATOM 912 N ASP A 55 7.037 12.702 -10.525 1.00 0.00 N ATOM 913 CA ASP A 55 6.953 13.696 -9.416 1.00 0.00 C ATOM 914 C ASP A 55 5.562 13.669 -8.777 1.00 0.00 C ATOM 915 O ASP A 55 4.561 13.718 -9.464 1.00 0.00 O ATOM 916 CB ASP A 55 7.204 15.048 -10.086 1.00 0.00 C ATOM 917 CG ASP A 55 7.430 16.116 -9.014 1.00 0.00 C ATOM 918 OD1 ASP A 55 6.469 16.476 -8.353 1.00 0.00 O ATOM 919 OD2 ASP A 55 8.559 16.555 -8.874 1.00 0.00 O ATOM 0 H ASP A 55 6.506 12.943 -11.362 1.00 0.00 H new ATOM 0 HA ASP A 55 7.669 13.488 -8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.073 14.985 -10.741 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.353 15.319 -10.711 1.00 0.00 H new ATOM 924 N PRO A 56 5.548 13.595 -7.472 1.00 0.00 N ATOM 925 CA PRO A 56 4.267 13.566 -6.726 1.00 0.00 C ATOM 926 C PRO A 56 3.634 14.961 -6.694 1.00 0.00 C ATOM 927 O PRO A 56 4.310 15.963 -6.818 1.00 0.00 O ATOM 928 CB PRO A 56 4.681 13.129 -5.323 1.00 0.00 C ATOM 929 CG PRO A 56 6.116 13.535 -5.195 1.00 0.00 C ATOM 930 CD PRO A 56 6.710 13.529 -6.580 1.00 0.00 C ATOM 0 HA PRO A 56 3.525 12.905 -7.175 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.066 13.610 -4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.563 12.053 -5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.196 14.525 -4.747 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.653 12.846 -4.544 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.376 14.378 -6.731 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.297 12.628 -6.757 1.00 0.00 H new ATOM 938 N GLN A 57 2.341 15.033 -6.528 1.00 0.00 N ATOM 939 CA GLN A 57 1.667 16.358 -6.487 1.00 0.00 C ATOM 940 C GLN A 57 0.715 16.418 -5.284 1.00 0.00 C ATOM 941 O GLN A 57 1.030 16.987 -4.258 1.00 0.00 O ATOM 942 CB GLN A 57 0.901 16.438 -7.814 1.00 0.00 C ATOM 943 CG GLN A 57 -0.339 17.320 -7.656 1.00 0.00 C ATOM 944 CD GLN A 57 -0.557 18.132 -8.934 1.00 0.00 C ATOM 945 OE1 GLN A 57 -1.358 17.767 -9.770 1.00 0.00 O ATOM 946 NE2 GLN A 57 0.129 19.227 -9.121 1.00 0.00 N ATOM 0 H GLN A 57 1.723 14.229 -6.419 1.00 0.00 H new ATOM 0 HA GLN A 57 2.361 17.191 -6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.548 16.844 -8.592 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.607 15.438 -8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.214 16.702 -7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.216 17.989 -6.804 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.802 19.533 -8.418 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.008 19.776 -9.970 1.00 0.00 H new ATOM 955 N GLY A 58 -0.446 15.835 -5.408 1.00 0.00 N ATOM 956 CA GLY A 58 -1.419 15.857 -4.279 1.00 0.00 C ATOM 957 C GLY A 58 -0.883 15.019 -3.116 1.00 0.00 C ATOM 958 O GLY A 58 0.290 15.051 -2.805 1.00 0.00 O ATOM 0 H GLY A 58 -0.763 15.344 -6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.588 16.883 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.381 15.465 -4.608 1.00 0.00 H new ATOM 962 N TYR A 59 -1.736 14.270 -2.468 1.00 0.00 N ATOM 963 CA TYR A 59 -1.275 13.433 -1.322 1.00 0.00 C ATOM 964 C TYR A 59 -1.824 12.007 -1.445 1.00 0.00 C ATOM 965 O TYR A 59 -3.015 11.781 -1.369 1.00 0.00 O ATOM 966 CB TYR A 59 -1.841 14.122 -0.079 1.00 0.00 C ATOM 967 CG TYR A 59 -1.405 13.375 1.158 1.00 0.00 C ATOM 968 CD1 TYR A 59 -1.989 12.143 1.475 1.00 0.00 C ATOM 969 CD2 TYR A 59 -0.417 13.915 1.990 1.00 0.00 C ATOM 970 CE1 TYR A 59 -1.584 11.450 2.623 1.00 0.00 C ATOM 971 CE2 TYR A 59 -0.013 13.223 3.138 1.00 0.00 C ATOM 972 CZ TYR A 59 -0.597 11.990 3.454 1.00 0.00 C ATOM 973 OH TYR A 59 -0.198 11.307 4.586 1.00 0.00 O ATOM 0 H TYR A 59 -2.731 14.202 -2.683 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.189 13.348 -1.285 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.494 15.154 -0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.929 14.153 -0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.752 11.727 0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.034 14.866 1.746 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.034 10.499 2.866 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.749 13.640 3.780 1.00 0.00 H new ATOM 0 HH TYR A 59 0.496 11.820 5.050 1.00 0.00 H new ATOM 983 N PHE A 60 -0.960 11.046 -1.632 1.00 0.00 N ATOM 984 CA PHE A 60 -1.421 9.634 -1.760 1.00 0.00 C ATOM 985 C PHE A 60 -0.857 8.792 -0.613 1.00 0.00 C ATOM 986 O PHE A 60 0.311 8.871 -0.292 1.00 0.00 O ATOM 987 CB PHE A 60 -0.850 9.166 -3.096 1.00 0.00 C ATOM 988 CG PHE A 60 0.657 9.120 -3.013 1.00 0.00 C ATOM 989 CD1 PHE A 60 1.302 7.953 -2.582 1.00 0.00 C ATOM 990 CD2 PHE A 60 1.412 10.243 -3.371 1.00 0.00 C ATOM 991 CE1 PHE A 60 2.699 7.911 -2.509 1.00 0.00 C ATOM 992 CE2 PHE A 60 2.810 10.201 -3.297 1.00 0.00 C ATOM 993 CZ PHE A 60 3.453 9.035 -2.867 1.00 0.00 C ATOM 0 H PHE A 60 0.049 11.179 -1.702 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.506 9.541 -1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.241 8.179 -3.345 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.160 9.842 -3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.721 7.086 -2.306 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.916 11.143 -3.705 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.195 7.011 -2.176 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.392 11.069 -3.572 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.531 9.002 -2.811 1.00 0.00 H new ATOM 1003 N LEU A 61 -1.675 7.986 0.010 1.00 0.00 N ATOM 1004 CA LEU A 61 -1.175 7.147 1.137 1.00 0.00 C ATOM 1005 C LEU A 61 -1.311 5.656 0.808 1.00 0.00 C ATOM 1006 O LEU A 61 -2.274 5.225 0.207 1.00 0.00 O ATOM 1007 CB LEU A 61 -2.059 7.515 2.328 1.00 0.00 C ATOM 1008 CG LEU A 61 -3.528 7.353 1.938 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -4.318 6.815 3.132 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -4.095 8.711 1.521 1.00 0.00 C ATOM 0 H LEU A 61 -2.664 7.873 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.119 7.325 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.825 6.877 3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.864 8.542 2.636 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.608 6.653 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.365 6.700 2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.913 5.848 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.239 7.514 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.143 8.598 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.014 9.410 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.533 9.094 0.670 1.00 0.00 H new ATOM 1022 N TRP A 62 -0.350 4.869 1.207 1.00 0.00 N ATOM 1023 CA TRP A 62 -0.406 3.403 0.932 1.00 0.00 C ATOM 1024 C TRP A 62 -0.410 2.637 2.260 1.00 0.00 C ATOM 1025 O TRP A 62 0.532 2.712 3.025 1.00 0.00 O ATOM 1026 CB TRP A 62 0.875 3.128 0.140 1.00 0.00 C ATOM 1027 CG TRP A 62 0.984 1.672 -0.186 1.00 0.00 C ATOM 1028 CD1 TRP A 62 0.425 1.071 -1.261 1.00 0.00 C ATOM 1029 CD2 TRP A 62 1.699 0.632 0.541 1.00 0.00 C ATOM 1030 NE1 TRP A 62 0.748 -0.275 -1.236 1.00 0.00 N ATOM 1031 CE2 TRP A 62 1.532 -0.594 -0.145 1.00 0.00 C ATOM 1032 CE3 TRP A 62 2.468 0.632 1.717 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.106 -1.777 0.321 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 3.047 -0.556 2.190 1.00 0.00 C ATOM 1035 CH2 TRP A 62 2.868 -1.757 1.492 1.00 0.00 C ATOM 0 H TRP A 62 0.478 5.180 1.715 1.00 0.00 H new ATOM 0 HA TRP A 62 -1.298 3.093 0.387 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.875 3.714 -0.779 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.743 3.444 0.719 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.174 1.560 -2.014 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.444 -0.949 -1.938 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.615 1.553 2.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 1.963 -2.701 -0.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.634 -0.544 3.097 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.319 -2.667 1.859 1.00 0.00 H new ATOM 1046 N TYR A 63 -1.464 1.920 2.561 1.00 0.00 N ATOM 1047 CA TYR A 63 -1.510 1.187 3.851 1.00 0.00 C ATOM 1048 C TYR A 63 -2.051 -0.228 3.656 1.00 0.00 C ATOM 1049 O TYR A 63 -2.872 -0.477 2.798 1.00 0.00 O ATOM 1050 CB TYR A 63 -2.464 2.002 4.719 1.00 0.00 C ATOM 1051 CG TYR A 63 -3.771 2.205 3.992 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -4.805 1.272 4.143 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -3.955 3.328 3.177 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -6.021 1.462 3.479 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -5.171 3.516 2.511 1.00 0.00 C ATOM 1056 CZ TYR A 63 -6.205 2.583 2.663 1.00 0.00 C ATOM 1057 OH TYR A 63 -7.408 2.770 2.011 1.00 0.00 O ATOM 0 H TYR A 63 -2.288 1.814 1.969 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.521 1.081 4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.639 1.488 5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.017 2.967 4.959 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.663 0.406 4.772 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.159 4.049 3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.818 0.743 3.596 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.313 4.381 1.880 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.412 3.649 1.578 1.00 0.00 H new ATOM 1067 N GLN A 64 -1.607 -1.158 4.456 1.00 0.00 N ATOM 1068 CA GLN A 64 -2.110 -2.552 4.321 1.00 0.00 C ATOM 1069 C GLN A 64 -3.302 -2.754 5.259 1.00 0.00 C ATOM 1070 O GLN A 64 -3.282 -2.339 6.401 1.00 0.00 O ATOM 1071 CB GLN A 64 -0.936 -3.442 4.736 1.00 0.00 C ATOM 1072 CG GLN A 64 -0.646 -3.244 6.225 1.00 0.00 C ATOM 1073 CD GLN A 64 0.856 -3.029 6.428 1.00 0.00 C ATOM 1074 OE1 GLN A 64 1.445 -3.595 7.329 1.00 0.00 O ATOM 1075 NE2 GLN A 64 1.504 -2.230 5.626 1.00 0.00 N ATOM 0 H GLN A 64 -0.919 -1.013 5.195 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.448 -2.783 3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.170 -4.488 4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.053 -3.195 4.147 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.202 -2.386 6.604 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.979 -4.114 6.790 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.010 -1.755 4.870 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.505 -2.080 5.755 1.00 0.00 H new ATOM 1084 N VAL A 65 -4.348 -3.365 4.780 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.550 -3.564 5.634 1.00 0.00 C ATOM 1086 C VAL A 65 -5.904 -5.052 5.742 1.00 0.00 C ATOM 1087 O VAL A 65 -5.354 -5.883 5.053 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.642 -2.799 4.895 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -6.286 -1.319 4.875 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -6.721 -3.292 3.453 1.00 0.00 C ATOM 0 H VAL A 65 -4.422 -3.736 3.833 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.406 -3.217 6.657 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.596 -2.955 5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.063 -0.765 4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.207 -0.950 5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.332 -1.181 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.502 -2.745 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.764 -3.127 2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.954 -4.357 3.445 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.824 -5.389 6.607 1.00 0.00 N ATOM 1101 CA GLU A 66 -7.218 -6.820 6.764 1.00 0.00 C ATOM 1102 C GLU A 66 -8.663 -7.020 6.298 1.00 0.00 C ATOM 1103 O GLU A 66 -9.587 -7.004 7.086 1.00 0.00 O ATOM 1104 CB GLU A 66 -7.093 -7.104 8.261 1.00 0.00 C ATOM 1105 CG GLU A 66 -7.541 -8.540 8.547 1.00 0.00 C ATOM 1106 CD GLU A 66 -8.595 -8.535 9.656 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -8.693 -7.535 10.348 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -9.285 -9.532 9.794 1.00 0.00 O ATOM 0 H GLU A 66 -7.320 -4.735 7.212 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.595 -7.489 6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.062 -6.962 8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.704 -6.401 8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.951 -8.991 7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.686 -9.146 8.846 1.00 0.00 H new ATOM 1115 N MET A 67 -8.863 -7.201 5.022 1.00 0.00 N ATOM 1116 CA MET A 67 -10.248 -7.395 4.501 1.00 0.00 C ATOM 1117 C MET A 67 -10.278 -8.538 3.482 1.00 0.00 C ATOM 1118 O MET A 67 -9.274 -8.858 2.879 1.00 0.00 O ATOM 1119 CB MET A 67 -10.600 -6.071 3.824 1.00 0.00 C ATOM 1120 CG MET A 67 -9.524 -5.728 2.794 1.00 0.00 C ATOM 1121 SD MET A 67 -10.308 -5.268 1.230 1.00 0.00 S ATOM 1122 CE MET A 67 -9.872 -3.512 1.268 1.00 0.00 C ATOM 0 H MET A 67 -8.127 -7.223 4.316 1.00 0.00 H new ATOM 0 HA MET A 67 -10.953 -7.655 5.290 1.00 0.00 H new ATOM 0 HB2 MET A 67 -11.573 -6.145 3.339 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.674 -5.278 4.568 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.906 -4.907 3.158 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.864 -6.582 2.644 1.00 0.00 H new ATOM 0 HE1 MET A 67 -10.714 -2.920 0.909 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.632 -3.219 2.290 1.00 0.00 H new ATOM 0 HE3 MET A 67 -9.007 -3.338 0.628 1.00 0.00 H new ATOM 1132 N PRO A 68 -11.441 -9.109 3.322 1.00 0.00 N ATOM 1133 CA PRO A 68 -11.617 -10.226 2.361 1.00 0.00 C ATOM 1134 C PRO A 68 -11.492 -9.718 0.920 1.00 0.00 C ATOM 1135 O PRO A 68 -11.241 -8.554 0.680 1.00 0.00 O ATOM 1136 CB PRO A 68 -13.031 -10.728 2.651 1.00 0.00 C ATOM 1137 CG PRO A 68 -13.733 -9.559 3.262 1.00 0.00 C ATOM 1138 CD PRO A 68 -12.690 -8.774 4.012 1.00 0.00 C ATOM 0 HA PRO A 68 -10.866 -11.009 2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.529 -11.056 1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.017 -11.580 3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.202 -8.944 2.494 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.525 -9.890 3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.892 -7.704 3.977 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.655 -9.057 5.064 1.00 0.00 H new ATOM 1146 N GLU A 69 -11.651 -10.588 -0.040 1.00 0.00 N ATOM 1147 CA GLU A 69 -11.526 -10.163 -1.465 1.00 0.00 C ATOM 1148 C GLU A 69 -12.743 -9.340 -1.909 1.00 0.00 C ATOM 1149 O GLU A 69 -12.668 -8.568 -2.844 1.00 0.00 O ATOM 1150 CB GLU A 69 -11.452 -11.471 -2.257 1.00 0.00 C ATOM 1151 CG GLU A 69 -12.847 -12.097 -2.347 1.00 0.00 C ATOM 1152 CD GLU A 69 -12.728 -13.554 -2.797 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -12.177 -13.782 -3.861 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -13.189 -14.417 -2.069 1.00 0.00 O ATOM 0 H GLU A 69 -11.862 -11.576 0.100 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.654 -9.528 -1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.063 -11.281 -3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.763 -12.163 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.343 -12.045 -1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.463 -11.538 -3.051 1.00 0.00 H new ATOM 1161 N ASP A 70 -13.866 -9.514 -1.267 1.00 0.00 N ATOM 1162 CA ASP A 70 -15.081 -8.752 -1.684 1.00 0.00 C ATOM 1163 C ASP A 70 -15.125 -7.369 -1.027 1.00 0.00 C ATOM 1164 O ASP A 70 -15.537 -6.401 -1.633 1.00 0.00 O ATOM 1165 CB ASP A 70 -16.258 -9.603 -1.205 1.00 0.00 C ATOM 1166 CG ASP A 70 -16.247 -9.674 0.323 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -16.568 -8.676 0.946 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -15.916 -10.726 0.845 1.00 0.00 O ATOM 0 H ASP A 70 -13.996 -10.146 -0.477 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.097 -8.579 -2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.197 -9.173 -1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.191 -10.606 -1.627 1.00 0.00 H new ATOM 1173 N ARG A 71 -14.714 -7.264 0.206 1.00 0.00 N ATOM 1174 CA ARG A 71 -14.748 -5.944 0.887 1.00 0.00 C ATOM 1175 C ARG A 71 -13.840 -4.946 0.162 1.00 0.00 C ATOM 1176 O ARG A 71 -13.873 -3.763 0.420 1.00 0.00 O ATOM 1177 CB ARG A 71 -14.232 -6.211 2.302 1.00 0.00 C ATOM 1178 CG ARG A 71 -15.360 -6.796 3.157 1.00 0.00 C ATOM 1179 CD ARG A 71 -16.156 -5.661 3.808 1.00 0.00 C ATOM 1180 NE ARG A 71 -17.235 -6.343 4.577 1.00 0.00 N ATOM 1181 CZ ARG A 71 -18.481 -5.996 4.403 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -19.074 -6.243 3.268 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -19.136 -5.405 5.365 1.00 0.00 N ATOM 0 H ARG A 71 -14.357 -8.036 0.769 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.749 -5.512 0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.391 -6.903 2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.866 -5.286 2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.018 -7.407 2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.946 -7.450 3.925 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.524 -5.060 4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.570 -4.988 3.058 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.000 -7.082 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.564 -6.707 2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.048 -5.972 3.132 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.674 -5.214 6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.110 -5.134 5.228 1.00 0.00 H new ATOM 1197 N VAL A 72 -13.020 -5.414 -0.736 1.00 0.00 N ATOM 1198 CA VAL A 72 -12.108 -4.487 -1.461 1.00 0.00 C ATOM 1199 C VAL A 72 -12.891 -3.568 -2.406 1.00 0.00 C ATOM 1200 O VAL A 72 -12.668 -2.375 -2.446 1.00 0.00 O ATOM 1201 CB VAL A 72 -11.159 -5.401 -2.237 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -11.858 -5.956 -3.480 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -9.928 -4.605 -2.661 1.00 0.00 C ATOM 0 H VAL A 72 -12.942 -6.396 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.572 -3.825 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.862 -6.232 -1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.172 -6.605 -4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.736 -6.527 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.164 -5.132 -4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.249 -5.253 -3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.233 -3.773 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.421 -4.220 -1.776 1.00 0.00 H new ATOM 1213 N ASN A 73 -13.804 -4.107 -3.162 1.00 0.00 N ATOM 1214 CA ASN A 73 -14.592 -3.251 -4.098 1.00 0.00 C ATOM 1215 C ASN A 73 -15.502 -2.316 -3.301 1.00 0.00 C ATOM 1216 O ASN A 73 -15.816 -1.221 -3.725 1.00 0.00 O ATOM 1217 CB ASN A 73 -15.419 -4.230 -4.931 1.00 0.00 C ATOM 1218 CG ASN A 73 -16.159 -3.471 -6.035 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -17.267 -3.013 -5.835 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -15.592 -3.318 -7.200 1.00 0.00 N ATOM 0 H ASN A 73 -14.040 -5.099 -3.175 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.959 -2.624 -4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.770 -4.988 -5.370 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.133 -4.752 -4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.078 -2.814 -7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.662 -3.702 -7.369 1.00 0.00 H new ATOM 1227 N ASP A 74 -15.932 -2.747 -2.150 1.00 0.00 N ATOM 1228 CA ASP A 74 -16.825 -1.904 -1.318 1.00 0.00 C ATOM 1229 C ASP A 74 -16.064 -0.702 -0.746 1.00 0.00 C ATOM 1230 O ASP A 74 -16.520 0.422 -0.814 1.00 0.00 O ATOM 1231 CB ASP A 74 -17.291 -2.826 -0.193 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.502 -2.208 0.506 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -18.735 -1.027 0.307 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -19.176 -2.926 1.227 1.00 0.00 O ATOM 0 H ASP A 74 -15.700 -3.655 -1.749 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.657 -1.497 -1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -17.551 -3.805 -0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.484 -2.980 0.523 1.00 0.00 H new ATOM 1239 N LEU A 75 -14.910 -0.930 -0.177 1.00 0.00 N ATOM 1240 CA LEU A 75 -14.127 0.201 0.406 1.00 0.00 C ATOM 1241 C LEU A 75 -13.585 1.091 -0.708 1.00 0.00 C ATOM 1242 O LEU A 75 -13.490 2.294 -0.574 1.00 0.00 O ATOM 1243 CB LEU A 75 -12.978 -0.467 1.166 1.00 0.00 C ATOM 1244 CG LEU A 75 -13.475 -0.957 2.531 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -14.849 -1.607 2.373 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -12.488 -1.986 3.090 1.00 0.00 C ATOM 0 H LEU A 75 -14.475 -1.849 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.732 0.835 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.586 -1.305 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.158 0.239 1.299 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.551 -0.111 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.201 -1.955 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.553 -0.877 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.775 -2.453 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.839 -2.336 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.415 -2.830 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.507 -1.525 3.203 1.00 0.00 H new ATOM 1258 N ALA A 76 -13.241 0.498 -1.809 1.00 0.00 N ATOM 1259 CA ALA A 76 -12.715 1.293 -2.957 1.00 0.00 C ATOM 1260 C ALA A 76 -13.827 2.191 -3.485 1.00 0.00 C ATOM 1261 O ALA A 76 -13.623 3.329 -3.856 1.00 0.00 O ATOM 1262 CB ALA A 76 -12.308 0.262 -4.012 1.00 0.00 C ATOM 0 H ALA A 76 -13.300 -0.508 -1.970 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.874 1.929 -2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.911 0.775 -4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.544 -0.398 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.179 -0.327 -4.300 1.00 0.00 H new ATOM 1268 N ARG A 77 -15.002 1.648 -3.522 1.00 0.00 N ATOM 1269 CA ARG A 77 -16.188 2.383 -4.024 1.00 0.00 C ATOM 1270 C ARG A 77 -16.418 3.683 -3.228 1.00 0.00 C ATOM 1271 O ARG A 77 -16.730 4.714 -3.790 1.00 0.00 O ATOM 1272 CB ARG A 77 -17.316 1.359 -3.819 1.00 0.00 C ATOM 1273 CG ARG A 77 -18.499 1.973 -3.061 1.00 0.00 C ATOM 1274 CD ARG A 77 -19.126 3.087 -3.901 1.00 0.00 C ATOM 1275 NE ARG A 77 -20.510 2.618 -4.188 1.00 0.00 N ATOM 1276 CZ ARG A 77 -20.864 2.338 -5.412 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -20.027 1.735 -6.211 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -22.055 2.659 -5.836 1.00 0.00 N ATOM 0 H ARG A 77 -15.197 0.695 -3.216 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.101 2.716 -5.058 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.655 0.990 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.934 0.501 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -19.242 1.206 -2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.163 2.371 -2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.134 4.033 -3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.566 3.251 -4.821 1.00 0.00 H new ATOM 0 HE ARG A 77 -21.182 2.516 -3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.096 1.483 -5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -20.303 1.516 -7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -22.710 3.129 -5.211 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -22.332 2.440 -6.793 1.00 0.00 H new ATOM 1292 N GLU A 78 -16.287 3.639 -1.930 1.00 0.00 N ATOM 1293 CA GLU A 78 -16.521 4.872 -1.115 1.00 0.00 C ATOM 1294 C GLU A 78 -15.397 5.892 -1.321 1.00 0.00 C ATOM 1295 O GLU A 78 -15.637 7.074 -1.460 1.00 0.00 O ATOM 1296 CB GLU A 78 -16.541 4.392 0.338 1.00 0.00 C ATOM 1297 CG GLU A 78 -17.364 3.106 0.444 1.00 0.00 C ATOM 1298 CD GLU A 78 -18.168 3.117 1.746 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -17.582 2.855 2.784 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -19.356 3.388 1.683 1.00 0.00 O ATOM 0 H GLU A 78 -16.029 2.808 -1.398 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.447 5.370 -1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.524 4.214 0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.968 5.163 0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -18.036 3.021 -0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.706 2.238 0.419 1.00 0.00 H new ATOM 1307 N LEU A 79 -14.172 5.448 -1.320 1.00 0.00 N ATOM 1308 CA LEU A 79 -13.033 6.398 -1.495 1.00 0.00 C ATOM 1309 C LEU A 79 -13.115 7.124 -2.843 1.00 0.00 C ATOM 1310 O LEU A 79 -12.979 8.329 -2.915 1.00 0.00 O ATOM 1311 CB LEU A 79 -11.782 5.520 -1.436 1.00 0.00 C ATOM 1312 CG LEU A 79 -11.722 4.809 -0.083 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -10.792 3.600 -0.180 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -11.191 5.778 0.976 1.00 0.00 C ATOM 0 H LEU A 79 -13.908 4.469 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.035 7.176 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.800 4.788 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.890 6.130 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.721 4.474 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.750 3.095 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.169 2.910 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.792 3.932 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.147 5.274 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.192 6.112 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.855 6.640 1.046 1.00 0.00 H new ATOM 1326 N ARG A 80 -13.319 6.404 -3.912 1.00 0.00 N ATOM 1327 CA ARG A 80 -13.384 7.057 -5.253 1.00 0.00 C ATOM 1328 C ARG A 80 -14.691 7.837 -5.432 1.00 0.00 C ATOM 1329 O ARG A 80 -14.768 8.759 -6.220 1.00 0.00 O ATOM 1330 CB ARG A 80 -13.317 5.905 -6.255 1.00 0.00 C ATOM 1331 CG ARG A 80 -12.972 6.455 -7.642 1.00 0.00 C ATOM 1332 CD ARG A 80 -14.184 6.314 -8.565 1.00 0.00 C ATOM 1333 NE ARG A 80 -13.658 6.592 -9.931 1.00 0.00 N ATOM 1334 CZ ARG A 80 -14.407 6.373 -10.977 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -15.705 6.344 -10.856 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -13.857 6.184 -12.146 1.00 0.00 N ATOM 0 H ARG A 80 -13.444 5.392 -3.916 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.576 7.777 -5.386 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.566 5.180 -5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -14.272 5.381 -6.287 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.679 7.502 -7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.121 5.915 -8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.614 5.314 -8.503 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.971 7.017 -8.294 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.712 6.954 -10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.136 6.493 -9.943 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.290 6.173 -11.674 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -12.842 6.207 -12.242 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.443 6.013 -12.963 1.00 0.00 H new ATOM 1350 N ILE A 81 -15.721 7.469 -4.726 1.00 0.00 N ATOM 1351 CA ILE A 81 -17.018 8.184 -4.881 1.00 0.00 C ATOM 1352 C ILE A 81 -17.031 9.490 -4.078 1.00 0.00 C ATOM 1353 O ILE A 81 -17.854 10.354 -4.305 1.00 0.00 O ATOM 1354 CB ILE A 81 -18.065 7.215 -4.336 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -18.269 6.074 -5.338 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -19.384 7.957 -4.126 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -19.056 6.585 -6.547 1.00 0.00 C ATOM 0 H ILE A 81 -15.722 6.706 -4.049 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.204 8.461 -5.919 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.726 6.806 -3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.304 5.682 -5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.805 5.252 -4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.132 7.266 -3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.235 8.769 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.727 8.366 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -19.200 5.771 -7.258 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.027 6.956 -6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.503 7.392 -7.027 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.142 9.642 -3.134 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.141 10.896 -2.326 1.00 0.00 C ATOM 1371 C ARG A 82 -15.765 12.100 -3.184 1.00 0.00 C ATOM 1372 O ARG A 82 -15.208 11.980 -4.256 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.104 10.696 -1.233 1.00 0.00 C ATOM 1374 CG ARG A 82 -14.882 12.017 -0.497 1.00 0.00 C ATOM 1375 CD ARG A 82 -13.916 11.797 0.669 1.00 0.00 C ATOM 1376 NE ARG A 82 -13.975 13.059 1.457 1.00 0.00 N ATOM 1377 CZ ARG A 82 -13.363 13.140 2.605 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -13.490 12.181 3.481 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -12.625 14.180 2.879 1.00 0.00 N ATOM 0 H ARG A 82 -15.424 8.961 -2.889 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.132 11.091 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.439 9.929 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.167 10.346 -1.665 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.478 12.763 -1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.832 12.404 -0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.214 10.940 1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.905 11.600 0.313 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.494 13.860 1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.068 11.368 3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -13.011 12.244 4.379 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.527 14.930 2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.146 14.243 3.777 1.00 0.00 H new ATOM 1393 N ASP A 83 -16.080 13.259 -2.697 1.00 0.00 N ATOM 1394 CA ASP A 83 -15.767 14.516 -3.441 1.00 0.00 C ATOM 1395 C ASP A 83 -14.270 14.847 -3.378 1.00 0.00 C ATOM 1396 O ASP A 83 -13.651 15.165 -4.375 1.00 0.00 O ATOM 1397 CB ASP A 83 -16.578 15.601 -2.733 1.00 0.00 C ATOM 1398 CG ASP A 83 -17.950 15.732 -3.398 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -17.992 16.132 -4.550 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -18.934 15.432 -2.743 1.00 0.00 O ATOM 0 H ASP A 83 -16.548 13.398 -1.802 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.015 14.427 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.696 15.351 -1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -16.048 16.553 -2.778 1.00 0.00 H new ATOM 1405 N ASN A 84 -13.696 14.804 -2.207 1.00 0.00 N ATOM 1406 CA ASN A 84 -12.249 15.146 -2.060 1.00 0.00 C ATOM 1407 C ASN A 84 -11.360 14.157 -2.820 1.00 0.00 C ATOM 1408 O ASN A 84 -10.243 14.470 -3.180 1.00 0.00 O ATOM 1409 CB ASN A 84 -11.977 15.062 -0.558 1.00 0.00 C ATOM 1410 CG ASN A 84 -12.740 16.176 0.162 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -13.945 16.112 0.302 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -12.081 17.201 0.631 1.00 0.00 N ATOM 0 H ASN A 84 -14.168 14.546 -1.340 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.026 16.131 -2.471 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.286 14.089 -0.176 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.908 15.155 -0.365 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.578 17.949 1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.069 17.254 0.513 1.00 0.00 H new ATOM 1419 N VAL A 85 -11.834 12.967 -3.057 1.00 0.00 N ATOM 1420 CA VAL A 85 -10.996 11.974 -3.782 1.00 0.00 C ATOM 1421 C VAL A 85 -11.292 12.011 -5.284 1.00 0.00 C ATOM 1422 O VAL A 85 -12.424 11.889 -5.707 1.00 0.00 O ATOM 1423 CB VAL A 85 -11.395 10.626 -3.191 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -10.675 9.514 -3.948 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -10.999 10.579 -1.713 1.00 0.00 C ATOM 0 H VAL A 85 -12.760 12.640 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.931 12.175 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.473 10.491 -3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.957 8.548 -3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.956 9.549 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.597 9.649 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.284 9.616 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.921 10.711 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.510 11.377 -1.174 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.280 12.171 -6.094 1.00 0.00 N ATOM 1436 CA ARG A 86 -10.505 12.205 -7.567 1.00 0.00 C ATOM 1437 C ARG A 86 -10.412 10.788 -8.139 1.00 0.00 C ATOM 1438 O ARG A 86 -11.130 10.425 -9.049 1.00 0.00 O ATOM 1439 CB ARG A 86 -9.384 13.084 -8.123 1.00 0.00 C ATOM 1440 CG ARG A 86 -9.558 13.237 -9.635 1.00 0.00 C ATOM 1441 CD ARG A 86 -10.991 13.683 -9.941 1.00 0.00 C ATOM 1442 NE ARG A 86 -10.973 14.075 -11.377 1.00 0.00 N ATOM 1443 CZ ARG A 86 -11.637 15.127 -11.775 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -12.923 15.204 -11.568 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -11.014 16.099 -12.381 1.00 0.00 N ATOM 0 H ARG A 86 -9.309 12.279 -5.800 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.489 12.594 -7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.403 14.063 -7.643 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.414 12.639 -7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.848 13.968 -10.022 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.346 12.291 -10.134 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.702 12.877 -9.761 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.288 14.519 -9.307 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.442 13.522 -12.050 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.410 14.443 -11.095 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.441 16.026 -11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.009 16.037 -12.544 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.532 16.921 -12.692 1.00 0.00 H new ATOM 1459 N ARG A 87 -9.534 9.982 -7.604 1.00 0.00 N ATOM 1460 CA ARG A 87 -9.397 8.587 -8.109 1.00 0.00 C ATOM 1461 C ARG A 87 -8.852 7.684 -6.994 1.00 0.00 C ATOM 1462 O ARG A 87 -8.163 8.131 -6.099 1.00 0.00 O ATOM 1463 CB ARG A 87 -8.421 8.689 -9.294 1.00 0.00 C ATOM 1464 CG ARG A 87 -7.462 7.494 -9.319 1.00 0.00 C ATOM 1465 CD ARG A 87 -6.534 7.606 -10.529 1.00 0.00 C ATOM 1466 NE ARG A 87 -7.333 7.098 -11.677 1.00 0.00 N ATOM 1467 CZ ARG A 87 -6.771 6.940 -12.844 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -6.345 7.980 -13.509 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -6.635 5.744 -13.348 1.00 0.00 N ATOM 0 H ARG A 87 -8.906 10.230 -6.839 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.345 8.149 -8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.981 8.730 -10.228 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.852 9.616 -9.222 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.876 7.466 -8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.027 6.563 -9.366 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.221 8.637 -10.692 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.628 7.017 -10.387 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.320 6.873 -11.552 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.452 8.915 -13.116 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.906 7.857 -14.421 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.968 4.931 -12.830 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.196 5.622 -14.260 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.160 6.418 -7.045 1.00 0.00 N ATOM 1484 CA VAL A 88 -8.663 5.485 -5.992 1.00 0.00 C ATOM 1485 C VAL A 88 -8.029 4.248 -6.632 1.00 0.00 C ATOM 1486 O VAL A 88 -8.625 3.593 -7.463 1.00 0.00 O ATOM 1487 CB VAL A 88 -9.903 5.099 -5.188 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -9.561 3.948 -4.240 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -10.377 6.304 -4.372 1.00 0.00 C ATOM 0 H VAL A 88 -9.734 5.988 -7.770 1.00 0.00 H new ATOM 0 HA VAL A 88 -7.897 5.942 -5.365 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.693 4.786 -5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.447 3.673 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.222 3.089 -4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.770 4.261 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.262 6.029 -3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.585 6.616 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.622 7.126 -5.045 1.00 0.00 H new ATOM 1499 N MET A 89 -6.826 3.919 -6.247 1.00 0.00 N ATOM 1500 CA MET A 89 -6.156 2.719 -6.829 1.00 0.00 C ATOM 1501 C MET A 89 -6.078 1.604 -5.781 1.00 0.00 C ATOM 1502 O MET A 89 -5.520 1.779 -4.717 1.00 0.00 O ATOM 1503 CB MET A 89 -4.755 3.192 -7.218 1.00 0.00 C ATOM 1504 CG MET A 89 -4.244 2.360 -8.397 1.00 0.00 C ATOM 1505 SD MET A 89 -2.514 1.909 -8.113 1.00 0.00 S ATOM 1506 CE MET A 89 -1.826 2.700 -9.587 1.00 0.00 C ATOM 0 H MET A 89 -6.277 4.429 -5.555 1.00 0.00 H new ATOM 0 HA MET A 89 -6.697 2.316 -7.685 1.00 0.00 H new ATOM 0 HB2 MET A 89 -4.778 4.248 -7.487 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.078 3.094 -6.369 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.851 1.462 -8.512 1.00 0.00 H new ATOM 0 HG3 MET A 89 -4.336 2.927 -9.323 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.748 2.544 -9.614 1.00 0.00 H new ATOM 0 HE2 MET A 89 -2.278 2.265 -10.478 1.00 0.00 H new ATOM 0 HE3 MET A 89 -2.037 3.769 -9.558 1.00 0.00 H new ATOM 1516 N VAL A 90 -6.637 0.461 -6.074 1.00 0.00 N ATOM 1517 CA VAL A 90 -6.598 -0.662 -5.094 1.00 0.00 C ATOM 1518 C VAL A 90 -5.640 -1.754 -5.577 1.00 0.00 C ATOM 1519 O VAL A 90 -5.800 -2.306 -6.647 1.00 0.00 O ATOM 1520 CB VAL A 90 -8.034 -1.189 -5.045 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -8.117 -2.362 -4.067 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -8.971 -0.072 -4.580 1.00 0.00 C ATOM 0 H VAL A 90 -7.119 0.256 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.245 -0.344 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.330 -1.524 -6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.140 -2.736 -4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.450 -3.159 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.820 -2.028 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.994 -0.446 -4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.673 0.263 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.914 0.764 -5.277 1.00 0.00 H new ATOM 1532 N VAL A 91 -4.642 -2.070 -4.797 1.00 0.00 N ATOM 1533 CA VAL A 91 -3.675 -3.126 -5.216 1.00 0.00 C ATOM 1534 C VAL A 91 -3.637 -4.246 -4.173 1.00 0.00 C ATOM 1535 O VAL A 91 -3.884 -4.028 -3.004 1.00 0.00 O ATOM 1536 CB VAL A 91 -2.313 -2.429 -5.299 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -1.394 -3.218 -6.233 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -2.484 -1.007 -5.844 1.00 0.00 C ATOM 0 H VAL A 91 -4.454 -1.644 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.953 -3.578 -6.168 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.876 -2.382 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.425 -2.723 -6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.262 -4.228 -5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.839 -3.265 -7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.511 -0.519 -5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.926 -1.050 -6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.137 -0.439 -5.181 1.00 0.00 H new ATOM 1548 N LYS A 92 -3.331 -5.444 -4.588 1.00 0.00 N ATOM 1549 CA LYS A 92 -3.279 -6.578 -3.621 1.00 0.00 C ATOM 1550 C LYS A 92 -1.902 -6.649 -2.955 1.00 0.00 C ATOM 1551 O LYS A 92 -0.924 -6.153 -3.477 1.00 0.00 O ATOM 1552 CB LYS A 92 -3.540 -7.833 -4.458 1.00 0.00 C ATOM 1553 CG LYS A 92 -2.361 -8.083 -5.401 1.00 0.00 C ATOM 1554 CD LYS A 92 -2.351 -9.554 -5.826 1.00 0.00 C ATOM 1555 CE LYS A 92 -0.998 -9.894 -6.458 1.00 0.00 C ATOM 1556 NZ LYS A 92 -0.547 -11.131 -5.762 1.00 0.00 N ATOM 0 H LYS A 92 -3.115 -5.687 -5.555 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.010 -6.467 -2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.683 -8.694 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.458 -7.713 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.440 -7.440 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.424 -7.830 -4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.532 -10.194 -4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.155 -9.743 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.094 -10.058 -7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.284 -9.082 -6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.375 -11.426 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.458 -10.943 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.243 -11.889 -5.915 1.00 0.00 H new ATOM 1570 N SER A 93 -1.818 -7.264 -1.807 1.00 0.00 N ATOM 1571 CA SER A 93 -0.502 -7.369 -1.115 1.00 0.00 C ATOM 1572 C SER A 93 0.425 -8.309 -1.890 1.00 0.00 C ATOM 1573 O SER A 93 -0.021 -9.215 -2.566 1.00 0.00 O ATOM 1574 CB SER A 93 -0.825 -7.946 0.264 1.00 0.00 C ATOM 1575 OG SER A 93 0.355 -7.968 1.061 1.00 0.00 O ATOM 0 H SER A 93 -2.602 -7.697 -1.319 1.00 0.00 H new ATOM 0 HA SER A 93 0.008 -6.408 -1.043 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.593 -7.345 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.226 -8.954 0.163 1.00 0.00 H new ATOM 0 HG SER A 93 0.146 -8.336 1.945 1.00 0.00 H new ATOM 1581 N GLN A 94 1.710 -8.102 -1.802 1.00 0.00 N ATOM 1582 CA GLN A 94 2.658 -8.985 -2.541 1.00 0.00 C ATOM 1583 C GLN A 94 2.767 -10.348 -1.849 1.00 0.00 C ATOM 1584 O GLN A 94 2.206 -10.567 -0.794 1.00 0.00 O ATOM 1585 CB GLN A 94 3.999 -8.251 -2.501 1.00 0.00 C ATOM 1586 CG GLN A 94 4.446 -8.073 -1.049 1.00 0.00 C ATOM 1587 CD GLN A 94 5.135 -6.716 -0.892 1.00 0.00 C ATOM 1588 OE1 GLN A 94 6.046 -6.395 -1.629 1.00 0.00 O ATOM 1589 NE2 GLN A 94 4.735 -5.899 0.043 1.00 0.00 N ATOM 0 H GLN A 94 2.145 -7.361 -1.252 1.00 0.00 H new ATOM 0 HA GLN A 94 2.330 -9.177 -3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.749 -8.814 -3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.907 -7.279 -2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.586 -8.136 -0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.128 -8.875 -0.766 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.970 -6.168 0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.187 -4.991 0.155 1.00 0.00 H new ATOM 1598 N GLU A 95 3.485 -11.263 -2.439 1.00 0.00 N ATOM 1599 CA GLU A 95 3.631 -12.613 -1.821 1.00 0.00 C ATOM 1600 C GLU A 95 5.083 -12.843 -1.391 1.00 0.00 C ATOM 1601 O GLU A 95 5.973 -12.897 -2.218 1.00 0.00 O ATOM 1602 CB GLU A 95 3.236 -13.595 -2.924 1.00 0.00 C ATOM 1603 CG GLU A 95 1.882 -13.190 -3.507 1.00 0.00 C ATOM 1604 CD GLU A 95 1.333 -14.333 -4.363 1.00 0.00 C ATOM 1605 OE1 GLU A 95 1.856 -14.542 -5.445 1.00 0.00 O ATOM 1606 OE2 GLU A 95 0.397 -14.979 -3.922 1.00 0.00 O ATOM 0 H GLU A 95 3.978 -11.135 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 95 3.014 -12.730 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.994 -13.602 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.183 -14.607 -2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.184 -12.955 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.989 -12.288 -4.110 1.00 0.00 H new ATOM 1613 N PRO A 96 5.275 -12.969 -0.105 1.00 0.00 N ATOM 1614 CA PRO A 96 6.635 -13.192 0.443 1.00 0.00 C ATOM 1615 C PRO A 96 7.100 -14.625 0.164 1.00 0.00 C ATOM 1616 O PRO A 96 6.317 -15.553 0.165 1.00 0.00 O ATOM 1617 CB PRO A 96 6.460 -12.957 1.940 1.00 0.00 C ATOM 1618 CG PRO A 96 5.014 -13.231 2.211 1.00 0.00 C ATOM 1619 CD PRO A 96 4.255 -12.918 0.948 1.00 0.00 C ATOM 0 HA PRO A 96 7.387 -12.540 -0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.102 -13.619 2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.726 -11.936 2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 96 4.868 -14.272 2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.655 -12.618 3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.462 -13.644 0.770 1.00 0.00 H new ATOM 0 HD3 PRO A 96 3.784 -11.936 0.999 1.00 0.00 H new ATOM 1627 N PHE A 97 8.370 -14.810 -0.074 1.00 0.00 N ATOM 1628 CA PHE A 97 8.884 -16.183 -0.352 1.00 0.00 C ATOM 1629 C PHE A 97 9.137 -16.932 0.960 1.00 0.00 C ATOM 1630 O PHE A 97 9.510 -16.349 1.958 1.00 0.00 O ATOM 1631 CB PHE A 97 10.197 -15.969 -1.107 1.00 0.00 C ATOM 1632 CG PHE A 97 10.488 -17.178 -1.963 1.00 0.00 C ATOM 1633 CD1 PHE A 97 9.884 -17.309 -3.219 1.00 0.00 C ATOM 1634 CD2 PHE A 97 11.361 -18.171 -1.500 1.00 0.00 C ATOM 1635 CE1 PHE A 97 10.154 -18.430 -4.013 1.00 0.00 C ATOM 1636 CE2 PHE A 97 11.630 -19.292 -2.294 1.00 0.00 C ATOM 1637 CZ PHE A 97 11.026 -19.422 -3.550 1.00 0.00 C ATOM 0 H PHE A 97 9.073 -14.072 -0.088 1.00 0.00 H new ATOM 0 HA PHE A 97 8.175 -16.779 -0.926 1.00 0.00 H new ATOM 0 HB2 PHE A 97 10.130 -15.077 -1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 97 11.012 -15.805 -0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 97 9.209 -16.545 -3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 97 11.826 -18.072 -0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 97 9.689 -18.529 -4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 97 12.304 -20.057 -1.937 1.00 0.00 H new ATOM 0 HZ PHE A 97 11.233 -20.288 -4.162 1.00 0.00 H new ATOM 1647 N LEU A 98 8.936 -18.222 0.964 1.00 0.00 N ATOM 1648 CA LEU A 98 9.163 -19.012 2.211 1.00 0.00 C ATOM 1649 C LEU A 98 10.537 -18.688 2.806 1.00 0.00 C ATOM 1650 O LEU A 98 11.560 -19.102 2.297 1.00 0.00 O ATOM 1651 CB LEU A 98 9.103 -20.474 1.767 1.00 0.00 C ATOM 1652 CG LEU A 98 7.783 -21.097 2.227 1.00 0.00 C ATOM 1653 CD1 LEU A 98 6.622 -20.180 1.841 1.00 0.00 C ATOM 1654 CD2 LEU A 98 7.599 -22.458 1.551 1.00 0.00 C ATOM 0 H LEU A 98 8.624 -18.764 0.158 1.00 0.00 H new ATOM 0 HA LEU A 98 8.425 -18.787 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.189 -20.539 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.943 -21.027 2.187 1.00 0.00 H new ATOM 0 HG LEU A 98 7.802 -21.225 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.682 -20.625 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.751 -19.209 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.604 -20.051 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.659 -22.903 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.582 -22.327 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.425 -23.114 1.824 1.00 0.00 H new ATOM 1666 N ALA A 99 10.568 -17.951 3.884 1.00 0.00 N ATOM 1667 CA ALA A 99 11.875 -17.602 4.512 1.00 0.00 C ATOM 1668 C ALA A 99 11.948 -18.173 5.932 1.00 0.00 C ATOM 1669 O ALA A 99 12.825 -17.837 6.702 1.00 0.00 O ATOM 1670 CB ALA A 99 11.905 -16.074 4.548 1.00 0.00 C ATOM 0 H ALA A 99 9.745 -17.576 4.356 1.00 0.00 H new ATOM 0 HA ALA A 99 12.720 -18.012 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 99 12.839 -15.739 4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 99 11.831 -15.685 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.066 -15.707 5.139 1.00 0.00 H new ATOM 1676 N ASN A 100 11.031 -19.032 6.282 1.00 0.00 N ATOM 1677 CA ASN A 100 11.047 -19.623 7.651 1.00 0.00 C ATOM 1678 C ASN A 100 10.069 -20.799 7.729 1.00 0.00 C ATOM 1679 O ASN A 100 8.930 -20.698 7.320 1.00 0.00 O ATOM 1680 CB ASN A 100 10.596 -18.492 8.576 1.00 0.00 C ATOM 1681 CG ASN A 100 9.192 -18.035 8.172 1.00 0.00 C ATOM 1682 OD1 ASN A 100 8.158 -18.730 8.560 1.00 0.00 O flip ATOM 1683 ND2 ASN A 100 9.036 -17.039 7.495 1.00 0.00 N flip ATOM 0 H ASN A 100 10.272 -19.351 5.680 1.00 0.00 H new ATOM 0 HA ASN A 100 12.030 -20.006 7.924 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.596 -18.832 9.612 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.294 -17.657 8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.845 -16.496 7.192 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.096 -16.745 7.229 1.00 0.00 H new ATOM 1690 N ALA A 101 10.503 -21.912 8.252 1.00 0.00 N ATOM 1691 CA ALA A 101 9.596 -23.090 8.354 1.00 0.00 C ATOM 1692 C ALA A 101 8.556 -22.862 9.455 1.00 0.00 C ATOM 1693 O ALA A 101 7.720 -23.730 9.641 1.00 0.00 O ATOM 1694 CB ALA A 101 10.508 -24.263 8.712 1.00 0.00 C ATOM 1695 OXT ALA A 101 8.614 -21.823 10.092 1.00 0.00 O ATOM 0 H ALA A 101 11.446 -22.057 8.613 1.00 0.00 H new ATOM 0 HA ALA A 101 9.046 -23.269 7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.913 -25.171 8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.254 -24.397 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.009 -24.059 9.658 1.00 0.00 H new TER 1701 ALA A 101