USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 28 LYS NZ :NH3+ 175:sc= 0.516 (180deg=0.532) USER MOD Set 1.2: A 34 SER OG : rot -3:sc= 1.21 USER MOD Set 2.1: A 11 ASN : amide:sc= 0.516 K(o=-0.0063,f=-6.7!) USER MOD Set 2.2: A 43 HIS :FLIP no HD1:sc= -0.523 F(o=-0.64,f=-0.0063) USER MOD Single : A 1 VAL N :NH3+ -123:sc= -0.176 (180deg=-0.417) USER MOD Single : A 5 TYR OH : rot 168:sc= 1.25 USER MOD Single : A 8 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 150:sc= 0 USER MOD Single : A 15 HIS :FLIP no HD1:sc= -0.774 F(o=-2.8!,f=-0.77) USER MOD Single : A 20 SER OG : rot -40:sc= 0.159 USER MOD Single : A 21 SER OG : rot 180:sc= 0.087 USER MOD Single : A 25 THR OG1 : rot 101:sc= 1.28 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 36 HIS : no HE2:sc= 0.775 K(o=0.77,f=-2.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 1.08 K(o=1.1,f=-3.7!) USER MOD Single : A 55 ASN : amide:sc= 0.0999 K(o=0.1,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.819 12.295 5.691 1.00 0.00 N ATOM 2 CA VAL A 1 5.564 11.021 4.970 1.00 0.00 C ATOM 3 C VAL A 1 4.609 10.165 5.766 1.00 0.00 C ATOM 4 O VAL A 1 4.361 10.418 6.946 1.00 0.00 O ATOM 5 CB VAL A 1 6.869 10.263 4.682 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.793 11.123 3.789 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.584 9.812 5.977 1.00 0.00 C ATOM 0 H1 VAL A 1 5.569 13.097 5.078 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.241 12.327 6.555 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.826 12.354 5.945 1.00 0.00 H new ATOM 0 HA VAL A 1 5.111 11.258 4.007 1.00 0.00 H new ATOM 0 HB VAL A 1 6.615 9.350 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.716 10.578 3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.289 11.341 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.026 12.057 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.501 9.281 5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.828 10.686 6.581 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.928 9.151 6.543 1.00 0.00 H new ATOM 19 N ARG A 2 4.056 9.109 5.128 1.00 0.00 N ATOM 20 CA ARG A 2 3.265 8.111 5.803 1.00 0.00 C ATOM 21 C ARG A 2 4.177 6.934 6.001 1.00 0.00 C ATOM 22 O ARG A 2 5.133 6.740 5.247 1.00 0.00 O ATOM 23 CB ARG A 2 2.052 7.548 5.009 1.00 0.00 C ATOM 24 CG ARG A 2 1.017 8.568 4.499 1.00 0.00 C ATOM 25 CD ARG A 2 1.331 9.142 3.104 1.00 0.00 C ATOM 26 NE ARG A 2 0.060 9.571 2.417 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.605 10.731 2.712 1.00 0.00 C ATOM 28 NH1 ARG A 2 -0.164 11.567 3.696 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.721 11.060 1.997 1.00 0.00 N ATOM 0 H ARG A 2 4.159 8.944 4.127 1.00 0.00 H new ATOM 0 HA ARG A 2 2.868 8.590 6.698 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.435 6.996 4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.535 6.829 5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.037 8.092 4.471 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.952 9.390 5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.007 9.992 3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.843 8.392 2.501 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.326 8.964 1.693 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.675 11.332 4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.673 12.427 3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.050 10.444 1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.226 11.921 2.207 1.00 0.00 H new ATOM 43 N ASP A 3 3.847 6.073 6.984 1.00 0.00 N ATOM 44 CA ASP A 3 4.338 4.725 7.030 1.00 0.00 C ATOM 45 C ASP A 3 2.988 4.119 7.171 1.00 0.00 C ATOM 46 O ASP A 3 2.216 4.601 8.004 1.00 0.00 O ATOM 47 CB ASP A 3 5.204 4.356 8.263 1.00 0.00 C ATOM 48 CG ASP A 3 6.411 5.289 8.354 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.200 5.334 7.374 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.559 5.970 9.403 1.00 0.00 O ATOM 0 H ASP A 3 3.230 6.315 7.759 1.00 0.00 H new ATOM 0 HA ASP A 3 4.999 4.444 6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.607 4.431 9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.539 3.322 8.186 1.00 0.00 H new ATOM 55 N GLY A 4 2.599 3.167 6.308 1.00 0.00 N ATOM 56 CA GLY A 4 1.251 2.693 6.376 1.00 0.00 C ATOM 57 C GLY A 4 1.288 1.407 5.657 1.00 0.00 C ATOM 58 O GLY A 4 2.351 0.976 5.210 1.00 0.00 O ATOM 0 H GLY A 4 3.186 2.739 5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.925 2.564 7.408 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.558 3.392 5.908 1.00 0.00 H new ATOM 62 N TYR A 5 0.098 0.815 5.434 1.00 0.00 N ATOM 63 CA TYR A 5 -0.052 -0.211 4.439 1.00 0.00 C ATOM 64 C TYR A 5 -0.246 0.553 3.160 1.00 0.00 C ATOM 65 O TYR A 5 -0.908 1.587 3.164 1.00 0.00 O ATOM 66 CB TYR A 5 -1.304 -1.092 4.650 1.00 0.00 C ATOM 67 CG TYR A 5 -1.051 -2.236 5.583 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.976 -2.057 6.974 1.00 0.00 C ATOM 69 CD2 TYR A 5 -0.958 -3.533 5.062 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.816 -3.158 7.826 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.814 -4.637 5.903 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.773 -4.453 7.291 1.00 0.00 C ATOM 73 OH TYR A 5 -0.761 -5.570 8.154 1.00 0.00 O ATOM 0 H TYR A 5 -0.758 1.044 5.939 1.00 0.00 H new ATOM 0 HA TYR A 5 0.807 -0.882 4.462 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.114 -0.478 5.045 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.638 -1.480 3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.042 -1.063 7.390 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.998 -3.681 3.993 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.726 -3.009 8.892 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.734 -5.630 5.485 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.919 -6.386 7.635 1.00 0.00 H new ATOM 83 N ILE A 6 0.353 0.085 2.053 1.00 0.00 N ATOM 84 CA ILE A 6 0.210 0.652 0.744 1.00 0.00 C ATOM 85 C ILE A 6 -0.952 -0.058 0.102 1.00 0.00 C ATOM 86 O ILE A 6 -1.224 -1.240 0.374 1.00 0.00 O ATOM 87 CB ILE A 6 1.500 0.601 -0.085 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.463 1.597 -1.271 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.842 -0.840 -0.511 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.722 1.612 -2.142 1.00 0.00 C ATOM 0 H ILE A 6 0.968 -0.729 2.068 1.00 0.00 H new ATOM 0 HA ILE A 6 0.010 1.722 0.808 1.00 0.00 H new ATOM 0 HB ILE A 6 2.319 0.931 0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.606 1.357 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.299 2.600 -0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.761 -0.838 -1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.978 -1.459 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.029 -1.244 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.601 2.340 -2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.583 1.885 -1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.880 0.622 -2.570 1.00 0.00 H new ATOM 102 N ALA A 7 -1.643 0.720 -0.757 1.00 0.00 N ATOM 103 CA ALA A 7 -2.782 0.395 -1.531 1.00 0.00 C ATOM 104 C ALA A 7 -2.673 1.478 -2.539 1.00 0.00 C ATOM 105 O ALA A 7 -1.707 2.240 -2.492 1.00 0.00 O ATOM 106 CB ALA A 7 -4.099 0.530 -0.782 1.00 0.00 C ATOM 0 H ALA A 7 -1.358 1.686 -0.917 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.794 -0.636 -1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.923 0.263 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.097 -0.136 0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.222 1.559 -0.446 1.00 0.00 H new ATOM 112 N GLN A 8 -3.649 1.545 -3.455 1.00 0.00 N ATOM 113 CA GLN A 8 -3.706 2.440 -4.567 1.00 0.00 C ATOM 114 C GLN A 8 -4.726 3.483 -4.203 1.00 0.00 C ATOM 115 O GLN A 8 -5.617 3.197 -3.394 1.00 0.00 O ATOM 116 CB GLN A 8 -4.262 1.720 -5.823 1.00 0.00 C ATOM 117 CG GLN A 8 -3.548 0.394 -6.127 1.00 0.00 C ATOM 118 CD GLN A 8 -4.249 -0.301 -7.295 1.00 0.00 C ATOM 119 OE1 GLN A 8 -4.155 0.168 -8.435 1.00 0.00 O ATOM 120 NE2 GLN A 8 -4.958 -1.432 -7.010 1.00 0.00 N ATOM 0 H GLN A 8 -4.460 0.927 -3.416 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.712 2.836 -4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.326 1.528 -5.683 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.168 2.381 -6.684 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.502 0.579 -6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.559 -0.249 -5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.004 -1.777 -6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.442 -1.932 -7.756 1.00 0.00 H new ATOM 129 N PRO A 9 -4.692 4.669 -4.799 1.00 0.00 N ATOM 130 CA PRO A 9 -5.814 5.587 -4.779 1.00 0.00 C ATOM 131 C PRO A 9 -6.964 4.988 -5.568 1.00 0.00 C ATOM 132 O PRO A 9 -6.680 4.318 -6.558 1.00 0.00 O ATOM 133 CB PRO A 9 -5.292 6.841 -5.501 1.00 0.00 C ATOM 134 CG PRO A 9 -3.773 6.787 -5.312 1.00 0.00 C ATOM 135 CD PRO A 9 -3.483 5.287 -5.346 1.00 0.00 C ATOM 0 HA PRO A 9 -6.171 5.801 -3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.561 6.832 -6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.713 7.750 -5.072 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.247 7.319 -6.105 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.466 7.237 -4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.286 4.943 -6.362 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.605 5.039 -4.750 1.00 0.00 H new ATOM 143 N GLU A 10 -8.249 5.180 -5.192 1.00 0.00 N ATOM 144 CA GLU A 10 -8.738 5.836 -4.007 1.00 0.00 C ATOM 145 C GLU A 10 -9.171 4.749 -3.072 1.00 0.00 C ATOM 146 O GLU A 10 -10.368 4.484 -2.967 1.00 0.00 O ATOM 147 CB GLU A 10 -9.966 6.738 -4.290 1.00 0.00 C ATOM 148 CG GLU A 10 -9.626 8.062 -4.996 1.00 0.00 C ATOM 149 CD GLU A 10 -8.908 8.997 -4.022 1.00 0.00 C ATOM 150 OE1 GLU A 10 -9.515 9.328 -2.968 1.00 0.00 O ATOM 151 OE2 GLU A 10 -7.748 9.391 -4.317 1.00 0.00 O ATOM 0 H GLU A 10 -9.016 4.844 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.951 6.472 -3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.676 6.184 -4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.465 6.960 -3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.995 7.871 -5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.537 8.534 -5.363 1.00 0.00 H new ATOM 158 N ASN A 11 -8.195 4.128 -2.361 1.00 0.00 N ATOM 159 CA ASN A 11 -8.421 3.273 -1.212 1.00 0.00 C ATOM 160 C ASN A 11 -8.718 1.888 -1.704 1.00 0.00 C ATOM 161 O ASN A 11 -9.637 1.228 -1.223 1.00 0.00 O ATOM 162 CB ASN A 11 -9.533 3.773 -0.239 1.00 0.00 C ATOM 163 CG ASN A 11 -9.435 3.111 1.134 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.363 2.651 1.540 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.564 3.105 1.894 1.00 0.00 N ATOM 0 H ASN A 11 -7.207 4.224 -2.595 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.511 3.289 -0.613 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.456 4.854 -0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.512 3.567 -0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.544 2.711 2.835 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.431 3.495 1.523 1.00 0.00 H new ATOM 172 N CYS A 12 -7.933 1.420 -2.693 1.00 0.00 N ATOM 173 CA CYS A 12 -8.151 0.142 -3.349 1.00 0.00 C ATOM 174 C CYS A 12 -6.841 -0.553 -3.178 1.00 0.00 C ATOM 175 O CYS A 12 -5.816 0.023 -3.517 1.00 0.00 O ATOM 176 CB CYS A 12 -8.417 0.251 -4.882 1.00 0.00 C ATOM 177 SG CYS A 12 -10.168 0.191 -5.397 1.00 0.00 S ATOM 0 H CYS A 12 -7.127 1.931 -3.053 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.025 -0.351 -2.924 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.985 1.186 -5.240 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.884 -0.558 -5.382 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.244 0.294 -6.691 1.00 0.00 H new ATOM 182 N VAL A 13 -6.804 -1.797 -2.652 1.00 0.00 N ATOM 183 CA VAL A 13 -5.558 -2.402 -2.236 1.00 0.00 C ATOM 184 C VAL A 13 -4.640 -2.786 -3.365 1.00 0.00 C ATOM 185 O VAL A 13 -5.003 -2.805 -4.541 1.00 0.00 O ATOM 186 CB VAL A 13 -5.718 -3.509 -1.209 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.033 -2.817 0.129 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.810 -4.512 -1.622 1.00 0.00 C ATOM 0 H VAL A 13 -7.627 -2.384 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.046 -1.591 -1.718 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.808 -4.102 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.159 -3.570 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.212 -2.152 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.952 -2.239 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.896 -5.290 -0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.763 -3.993 -1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.545 -4.965 -2.577 1.00 0.00 H new ATOM 198 N TYR A 14 -3.377 -3.046 -2.976 1.00 0.00 N ATOM 199 CA TYR A 14 -2.269 -3.366 -3.809 1.00 0.00 C ATOM 200 C TYR A 14 -1.987 -4.660 -3.134 1.00 0.00 C ATOM 201 O TYR A 14 -2.162 -4.707 -1.922 1.00 0.00 O ATOM 202 CB TYR A 14 -1.054 -2.427 -3.570 1.00 0.00 C ATOM 203 CG TYR A 14 -0.731 -1.537 -4.747 1.00 0.00 C ATOM 204 CD1 TYR A 14 -0.788 -1.991 -6.080 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.270 -0.231 -4.509 1.00 0.00 C ATOM 206 CE1 TYR A 14 -0.391 -1.162 -7.140 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.121 0.603 -5.562 1.00 0.00 C ATOM 208 CZ TYR A 14 0.068 0.137 -6.882 1.00 0.00 C ATOM 209 OH TYR A 14 0.468 0.982 -7.942 1.00 0.00 O ATOM 0 H TYR A 14 -3.116 -3.029 -1.990 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.443 -3.329 -4.884 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.255 -1.803 -2.699 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.179 -3.033 -3.334 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.142 -2.990 -6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.217 0.136 -3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.439 -1.525 -8.156 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.464 1.606 -5.357 1.00 0.00 H new ATOM 0 HH TYR A 14 0.298 1.916 -7.698 1.00 0.00 H new ATOM 219 N HIS A 15 -1.599 -5.727 -3.850 1.00 0.00 N ATOM 220 CA HIS A 15 -1.568 -7.049 -3.277 1.00 0.00 C ATOM 221 C HIS A 15 -0.133 -7.458 -3.326 1.00 0.00 C ATOM 222 O HIS A 15 0.653 -6.880 -4.075 1.00 0.00 O ATOM 223 CB HIS A 15 -2.439 -8.072 -4.049 1.00 0.00 C ATOM 224 CG HIS A 15 -3.922 -7.860 -3.853 1.00 0.00 C ATOM 225 ND1 HIS A 15 -4.820 -8.624 -3.185 1.00 0.00 N flip ATOM 226 CD2 HIS A 15 -4.604 -6.771 -4.329 1.00 0.00 C flip ATOM 227 CE1 HIS A 15 -6.030 -7.993 -3.261 1.00 0.00 C flip ATOM 228 NE2 HIS A 15 -5.874 -6.877 -3.959 1.00 0.00 N flip ATOM 0 H HIS A 15 -1.305 -5.683 -4.826 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.978 -7.031 -2.267 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.207 -8.008 -5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.177 -9.079 -3.726 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.180 -5.963 -4.907 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.955 -8.344 -2.827 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.612 -6.207 -4.177 1.00 0.00 H new ATOM 237 N CYS A 16 0.239 -8.462 -2.508 1.00 0.00 N ATOM 238 CA CYS A 16 1.597 -8.897 -2.373 1.00 0.00 C ATOM 239 C CYS A 16 1.588 -10.284 -2.900 1.00 0.00 C ATOM 240 O CYS A 16 0.522 -10.859 -3.105 1.00 0.00 O ATOM 241 CB CYS A 16 2.050 -8.946 -0.892 1.00 0.00 C ATOM 242 SG CYS A 16 3.836 -8.679 -0.684 1.00 0.00 S ATOM 0 H CYS A 16 -0.419 -8.983 -1.928 1.00 0.00 H new ATOM 0 HA CYS A 16 2.275 -8.219 -2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.507 -8.188 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.781 -9.913 -0.468 1.00 0.00 H new ATOM 247 N PHE A 17 2.781 -10.868 -3.101 1.00 0.00 N ATOM 248 CA PHE A 17 2.936 -12.244 -3.430 1.00 0.00 C ATOM 249 C PHE A 17 3.919 -12.616 -2.361 1.00 0.00 C ATOM 250 O PHE A 17 4.927 -11.906 -2.296 1.00 0.00 O ATOM 251 CB PHE A 17 3.580 -12.440 -4.820 1.00 0.00 C ATOM 252 CG PHE A 17 2.658 -11.883 -5.874 1.00 0.00 C ATOM 253 CD1 PHE A 17 1.365 -12.412 -6.048 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.047 -10.780 -6.654 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.473 -11.832 -6.959 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.157 -10.198 -7.565 1.00 0.00 C ATOM 257 CZ PHE A 17 0.866 -10.721 -7.714 1.00 0.00 C ATOM 0 H PHE A 17 3.665 -10.364 -3.032 1.00 0.00 H new ATOM 0 HA PHE A 17 2.008 -12.814 -3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.546 -11.936 -4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.764 -13.499 -5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.058 -13.273 -5.473 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.044 -10.377 -6.549 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.519 -12.242 -7.079 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.466 -9.346 -8.153 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.176 -10.268 -8.410 1.00 0.00 H new ATOM 267 N PRO A 18 3.697 -13.613 -1.498 1.00 0.00 N ATOM 268 CA PRO A 18 4.581 -13.904 -0.381 1.00 0.00 C ATOM 269 C PRO A 18 5.998 -14.184 -0.802 1.00 0.00 C ATOM 270 O PRO A 18 6.257 -15.184 -1.463 1.00 0.00 O ATOM 271 CB PRO A 18 3.934 -15.119 0.283 1.00 0.00 C ATOM 272 CG PRO A 18 2.436 -14.831 0.144 1.00 0.00 C ATOM 273 CD PRO A 18 2.342 -14.103 -1.205 1.00 0.00 C ATOM 0 HA PRO A 18 4.679 -13.050 0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.214 -16.048 -0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.231 -15.214 1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.848 -15.748 0.148 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.067 -14.212 0.962 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.993 -14.776 -1.988 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.632 -13.278 -1.154 1.00 0.00 H new ATOM 281 N GLY A 19 6.911 -13.270 -0.448 1.00 0.00 N ATOM 282 CA GLY A 19 8.247 -13.237 -0.960 1.00 0.00 C ATOM 283 C GLY A 19 8.529 -11.782 -0.877 1.00 0.00 C ATOM 284 O GLY A 19 9.495 -11.372 -0.239 1.00 0.00 O ATOM 0 H GLY A 19 6.716 -12.524 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.937 -13.829 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.310 -13.615 -1.981 1.00 0.00 H new ATOM 288 N SER A 20 7.590 -10.992 -1.448 1.00 0.00 N ATOM 289 CA SER A 20 7.464 -9.552 -1.361 1.00 0.00 C ATOM 290 C SER A 20 7.869 -8.884 -2.625 1.00 0.00 C ATOM 291 O SER A 20 7.764 -7.662 -2.693 1.00 0.00 O ATOM 292 CB SER A 20 8.143 -8.790 -0.192 1.00 0.00 C ATOM 293 OG SER A 20 7.875 -9.428 1.048 1.00 0.00 O ATOM 0 H SER A 20 6.851 -11.396 -2.023 1.00 0.00 H new ATOM 0 HA SER A 20 6.397 -9.480 -1.150 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.219 -8.745 -0.358 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.781 -7.762 -0.163 1.00 0.00 H new ATOM 0 HG SER A 20 6.945 -9.736 1.063 1.00 0.00 H new ATOM 299 N SER A 21 8.305 -9.644 -3.659 1.00 0.00 N ATOM 300 CA SER A 21 8.867 -9.142 -4.894 1.00 0.00 C ATOM 301 C SER A 21 8.068 -8.017 -5.516 1.00 0.00 C ATOM 302 O SER A 21 8.606 -6.976 -5.902 1.00 0.00 O ATOM 303 CB SER A 21 9.022 -10.305 -5.906 1.00 0.00 C ATOM 304 OG SER A 21 9.414 -11.496 -5.219 1.00 0.00 O ATOM 0 H SER A 21 8.264 -10.663 -3.634 1.00 0.00 H new ATOM 0 HA SER A 21 9.840 -8.720 -4.643 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.081 -10.470 -6.431 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.766 -10.047 -6.659 1.00 0.00 H new ATOM 0 HG SER A 21 9.509 -12.229 -5.863 1.00 0.00 H new ATOM 310 N GLY A 22 6.729 -8.196 -5.565 1.00 0.00 N ATOM 311 CA GLY A 22 5.803 -7.213 -6.077 1.00 0.00 C ATOM 312 C GLY A 22 5.794 -5.962 -5.244 1.00 0.00 C ATOM 313 O GLY A 22 6.097 -4.882 -5.740 1.00 0.00 O ATOM 0 H GLY A 22 6.274 -9.049 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.070 -6.963 -7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.800 -7.639 -6.103 1.00 0.00 H new ATOM 317 N CYS A 23 5.454 -6.055 -3.938 1.00 0.00 N ATOM 318 CA CYS A 23 5.257 -4.870 -3.123 1.00 0.00 C ATOM 319 C CYS A 23 6.529 -4.140 -2.824 1.00 0.00 C ATOM 320 O CYS A 23 6.509 -2.920 -2.675 1.00 0.00 O ATOM 321 CB CYS A 23 4.508 -5.112 -1.801 1.00 0.00 C ATOM 322 SG CYS A 23 2.776 -5.509 -2.155 1.00 0.00 S ATOM 0 H CYS A 23 5.315 -6.937 -3.444 1.00 0.00 H new ATOM 0 HA CYS A 23 4.622 -4.251 -3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.975 -5.929 -1.250 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.568 -4.226 -1.169 1.00 0.00 H new ATOM 327 N ASP A 24 7.675 -4.854 -2.797 1.00 0.00 N ATOM 328 CA ASP A 24 8.980 -4.232 -2.695 1.00 0.00 C ATOM 329 C ASP A 24 9.218 -3.366 -3.914 1.00 0.00 C ATOM 330 O ASP A 24 9.619 -2.211 -3.798 1.00 0.00 O ATOM 331 CB ASP A 24 10.108 -5.292 -2.559 1.00 0.00 C ATOM 332 CG ASP A 24 11.455 -4.648 -2.218 1.00 0.00 C ATOM 333 OD1 ASP A 24 11.536 -3.976 -1.155 1.00 0.00 O ATOM 334 OD2 ASP A 24 12.417 -4.826 -3.012 1.00 0.00 O ATOM 0 H ASP A 24 7.704 -5.872 -2.846 1.00 0.00 H new ATOM 0 HA ASP A 24 9.000 -3.616 -1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.841 -6.009 -1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.197 -5.850 -3.491 1.00 0.00 H new ATOM 339 N THR A 25 8.904 -3.889 -5.116 1.00 0.00 N ATOM 340 CA THR A 25 9.033 -3.168 -6.366 1.00 0.00 C ATOM 341 C THR A 25 8.060 -2.007 -6.409 1.00 0.00 C ATOM 342 O THR A 25 8.423 -0.912 -6.836 1.00 0.00 O ATOM 343 CB THR A 25 8.794 -4.063 -7.572 1.00 0.00 C ATOM 344 OG1 THR A 25 9.621 -5.221 -7.500 1.00 0.00 O ATOM 345 CG2 THR A 25 9.122 -3.323 -8.885 1.00 0.00 C ATOM 0 H THR A 25 8.550 -4.839 -5.231 1.00 0.00 H new ATOM 0 HA THR A 25 10.057 -2.799 -6.414 1.00 0.00 H new ATOM 0 HB THR A 25 7.741 -4.346 -7.564 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.092 -5.981 -7.180 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.942 -3.986 -9.731 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.488 -2.441 -8.974 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.168 -3.018 -8.879 1.00 0.00 H new ATOM 353 N LEU A 26 6.806 -2.210 -5.928 1.00 0.00 N ATOM 354 CA LEU A 26 5.795 -1.175 -5.857 1.00 0.00 C ATOM 355 C LEU A 26 6.276 -0.057 -4.984 1.00 0.00 C ATOM 356 O LEU A 26 6.132 1.120 -5.306 1.00 0.00 O ATOM 357 CB LEU A 26 4.451 -1.635 -5.251 1.00 0.00 C ATOM 358 CG LEU A 26 3.629 -2.598 -6.136 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.421 -3.107 -5.337 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.179 -1.938 -7.454 1.00 0.00 C ATOM 0 H LEU A 26 6.486 -3.114 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 26 5.629 -0.878 -6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.649 -2.123 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.845 -0.754 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 26 4.266 -3.437 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.836 -3.787 -5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.768 -3.633 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.800 -2.262 -5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.605 -2.654 -8.042 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.558 -1.070 -7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.055 -1.623 -8.021 1.00 0.00 H new ATOM 372 N CYS A 27 6.902 -0.418 -3.852 1.00 0.00 N ATOM 373 CA CYS A 27 7.428 0.542 -2.921 1.00 0.00 C ATOM 374 C CYS A 27 8.463 1.424 -3.563 1.00 0.00 C ATOM 375 O CYS A 27 8.467 2.629 -3.327 1.00 0.00 O ATOM 376 CB CYS A 27 8.013 -0.109 -1.650 1.00 0.00 C ATOM 377 SG CYS A 27 7.606 0.874 -0.193 1.00 0.00 S ATOM 0 H CYS A 27 7.048 -1.389 -3.574 1.00 0.00 H new ATOM 0 HA CYS A 27 6.578 1.152 -2.616 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.618 -1.119 -1.537 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.095 -0.199 -1.745 1.00 0.00 H new ATOM 382 N LYS A 28 9.321 0.866 -4.444 1.00 0.00 N ATOM 383 CA LYS A 28 10.340 1.644 -5.118 1.00 0.00 C ATOM 384 C LYS A 28 9.731 2.637 -6.080 1.00 0.00 C ATOM 385 O LYS A 28 10.175 3.780 -6.168 1.00 0.00 O ATOM 386 CB LYS A 28 11.338 0.782 -5.937 1.00 0.00 C ATOM 387 CG LYS A 28 12.092 -0.287 -5.124 1.00 0.00 C ATOM 388 CD LYS A 28 12.930 0.255 -3.955 1.00 0.00 C ATOM 389 CE LYS A 28 13.667 -0.863 -3.206 1.00 0.00 C ATOM 390 NZ LYS A 28 14.515 -0.304 -2.131 1.00 0.00 N ATOM 0 H LYS A 28 9.314 -0.123 -4.694 1.00 0.00 H new ATOM 0 HA LYS A 28 10.875 2.146 -4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.793 0.288 -6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.068 1.443 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.368 -1.001 -4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.749 -0.837 -5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.655 0.976 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.281 0.789 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.945 -1.559 -2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.283 -1.430 -3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.938 -1.080 -1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.270 0.275 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.934 0.287 -1.502 1.00 0.00 H new ATOM 404 N GLU A 29 8.698 2.214 -6.845 1.00 0.00 N ATOM 405 CA GLU A 29 8.139 3.051 -7.887 1.00 0.00 C ATOM 406 C GLU A 29 7.192 4.068 -7.312 1.00 0.00 C ATOM 407 O GLU A 29 7.058 5.157 -7.867 1.00 0.00 O ATOM 408 CB GLU A 29 7.430 2.270 -9.026 1.00 0.00 C ATOM 409 CG GLU A 29 6.288 1.354 -8.562 1.00 0.00 C ATOM 410 CD GLU A 29 5.682 0.588 -9.735 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.419 -0.226 -10.355 1.00 0.00 O ATOM 412 OE2 GLU A 29 4.472 0.797 -10.017 1.00 0.00 O ATOM 0 H GLU A 29 8.250 1.303 -6.748 1.00 0.00 H new ATOM 0 HA GLU A 29 8.998 3.547 -8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.034 2.985 -9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.171 1.667 -9.550 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.662 0.650 -7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.516 1.950 -8.076 1.00 0.00 H new ATOM 419 N LYS A 30 6.508 3.747 -6.189 1.00 0.00 N ATOM 420 CA LYS A 30 5.596 4.675 -5.557 1.00 0.00 C ATOM 421 C LYS A 30 6.353 5.594 -4.641 1.00 0.00 C ATOM 422 O LYS A 30 5.890 6.695 -4.349 1.00 0.00 O ATOM 423 CB LYS A 30 4.454 3.982 -4.777 1.00 0.00 C ATOM 424 CG LYS A 30 3.550 3.091 -5.661 1.00 0.00 C ATOM 425 CD LYS A 30 2.880 3.784 -6.862 1.00 0.00 C ATOM 426 CE LYS A 30 1.930 4.926 -6.475 1.00 0.00 C ATOM 427 NZ LYS A 30 1.322 5.540 -7.678 1.00 0.00 N ATOM 0 H LYS A 30 6.584 2.846 -5.716 1.00 0.00 H new ATOM 0 HA LYS A 30 5.126 5.242 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.886 3.372 -3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.840 4.743 -4.296 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.148 2.260 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.769 2.664 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.655 4.177 -7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.324 3.041 -7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.146 4.546 -5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.476 5.683 -5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.684 6.309 -7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.072 5.922 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.783 4.820 -8.200 1.00 0.00 H new ATOM 441 N GLY A 31 7.553 5.175 -4.187 1.00 0.00 N ATOM 442 CA GLY A 31 8.512 6.086 -3.617 1.00 0.00 C ATOM 443 C GLY A 31 8.501 5.971 -2.133 1.00 0.00 C ATOM 444 O GLY A 31 8.502 6.979 -1.433 1.00 0.00 O ATOM 0 H GLY A 31 7.862 4.203 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.508 5.865 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.276 7.108 -3.913 1.00 0.00 H new ATOM 448 N GLY A 32 8.510 4.726 -1.625 1.00 0.00 N ATOM 449 CA GLY A 32 8.761 4.442 -0.239 1.00 0.00 C ATOM 450 C GLY A 32 10.116 3.831 -0.230 1.00 0.00 C ATOM 451 O GLY A 32 10.690 3.562 -1.286 1.00 0.00 O ATOM 0 H GLY A 32 8.339 3.893 -2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.729 5.349 0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.014 3.761 0.169 1.00 0.00 H new ATOM 455 N THR A 33 10.679 3.595 0.972 1.00 0.00 N ATOM 456 CA THR A 33 12.031 3.115 1.098 1.00 0.00 C ATOM 457 C THR A 33 12.058 1.653 0.741 1.00 0.00 C ATOM 458 O THR A 33 12.792 1.211 -0.143 1.00 0.00 O ATOM 459 CB THR A 33 12.605 3.349 2.493 1.00 0.00 C ATOM 460 OG1 THR A 33 11.645 3.082 3.515 1.00 0.00 O ATOM 461 CG2 THR A 33 13.041 4.825 2.586 1.00 0.00 C ATOM 0 H THR A 33 10.199 3.736 1.861 1.00 0.00 H new ATOM 0 HA THR A 33 12.664 3.679 0.413 1.00 0.00 H new ATOM 0 HB THR A 33 13.446 2.672 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.049 3.241 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.456 5.020 3.575 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.797 5.029 1.828 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.178 5.470 2.421 1.00 0.00 H new ATOM 469 N SER A 34 11.253 0.839 1.435 1.00 0.00 N ATOM 470 CA SER A 34 11.039 -0.528 1.097 1.00 0.00 C ATOM 471 C SER A 34 9.770 -0.750 1.837 1.00 0.00 C ATOM 472 O SER A 34 9.225 0.197 2.422 1.00 0.00 O ATOM 473 CB SER A 34 12.165 -1.490 1.538 1.00 0.00 C ATOM 474 OG SER A 34 13.337 -1.192 0.789 1.00 0.00 O ATOM 0 H SER A 34 10.733 1.141 2.259 1.00 0.00 H new ATOM 0 HA SER A 34 11.013 -0.725 0.025 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.360 -1.380 2.605 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.864 -2.525 1.374 1.00 0.00 H new ATOM 0 HG SER A 34 13.140 -0.483 0.142 1.00 0.00 H new ATOM 480 N GLY A 35 9.272 -1.993 1.809 1.00 0.00 N ATOM 481 CA GLY A 35 7.977 -2.350 2.252 1.00 0.00 C ATOM 482 C GLY A 35 8.098 -3.816 2.130 1.00 0.00 C ATOM 483 O GLY A 35 9.183 -4.292 1.789 1.00 0.00 O ATOM 0 H GLY A 35 9.806 -2.788 1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.775 -2.026 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.187 -1.937 1.625 1.00 0.00 H new ATOM 487 N HIS A 36 7.018 -4.570 2.403 1.00 0.00 N ATOM 488 CA HIS A 36 7.085 -6.002 2.475 1.00 0.00 C ATOM 489 C HIS A 36 5.654 -6.428 2.463 1.00 0.00 C ATOM 490 O HIS A 36 4.764 -5.574 2.441 1.00 0.00 O ATOM 491 CB HIS A 36 7.800 -6.541 3.747 1.00 0.00 C ATOM 492 CG HIS A 36 7.450 -5.831 5.032 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.281 -6.022 5.721 1.00 0.00 N ATOM 494 CD2 HIS A 36 8.182 -4.935 5.736 1.00 0.00 C ATOM 495 CE1 HIS A 36 6.309 -5.265 6.811 1.00 0.00 C ATOM 496 NE2 HIS A 36 7.452 -4.595 6.842 1.00 0.00 N ATOM 0 H HIS A 36 6.089 -4.186 2.576 1.00 0.00 H new ATOM 0 HA HIS A 36 7.677 -6.399 1.650 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.560 -7.598 3.858 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.877 -6.473 3.595 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.519 -6.641 5.443 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.160 -4.559 5.473 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.527 -5.205 7.553 1.00 0.00 H new ATOM 505 N CYS A 37 5.390 -7.757 2.482 1.00 0.00 N ATOM 506 CA CYS A 37 4.043 -8.288 2.517 1.00 0.00 C ATOM 507 C CYS A 37 3.455 -8.136 3.888 1.00 0.00 C ATOM 508 O CYS A 37 4.148 -7.846 4.861 1.00 0.00 O ATOM 509 CB CYS A 37 3.934 -9.797 2.162 1.00 0.00 C ATOM 510 SG CYS A 37 4.462 -10.216 0.478 1.00 0.00 S ATOM 0 H CYS A 37 6.116 -8.473 2.473 1.00 0.00 H new ATOM 0 HA CYS A 37 3.508 -7.713 1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.535 -10.368 2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.900 -10.114 2.294 1.00 0.00 H new ATOM 515 N GLY A 38 2.140 -8.358 3.994 1.00 0.00 N ATOM 516 CA GLY A 38 1.428 -8.253 5.217 1.00 0.00 C ATOM 517 C GLY A 38 0.128 -8.753 4.714 1.00 0.00 C ATOM 518 O GLY A 38 0.063 -9.227 3.577 1.00 0.00 O ATOM 0 H GLY A 38 1.554 -8.619 3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.847 -8.870 6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.377 -7.233 5.598 1.00 0.00 H new ATOM 522 N PHE A 39 -0.920 -8.646 5.537 1.00 0.00 N ATOM 523 CA PHE A 39 -2.259 -9.002 5.215 1.00 0.00 C ATOM 524 C PHE A 39 -2.890 -7.934 6.046 1.00 0.00 C ATOM 525 O PHE A 39 -2.214 -7.370 6.918 1.00 0.00 O ATOM 526 CB PHE A 39 -2.648 -10.423 5.712 1.00 0.00 C ATOM 527 CG PHE A 39 -4.015 -10.828 5.227 1.00 0.00 C ATOM 528 CD1 PHE A 39 -4.213 -11.168 3.877 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.112 -10.861 6.104 1.00 0.00 C ATOM 530 CE1 PHE A 39 -5.485 -11.523 3.411 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.385 -11.209 5.639 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.574 -11.540 4.291 1.00 0.00 C ATOM 0 H PHE A 39 -0.827 -8.288 6.488 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.517 -9.052 4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.910 -11.145 5.364 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.627 -10.446 6.802 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.377 -11.155 3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.972 -10.616 7.146 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.626 -11.784 2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.223 -11.222 6.320 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.557 -11.807 3.932 1.00 0.00 H new ATOM 542 N LYS A 40 -4.168 -7.616 5.791 1.00 0.00 N ATOM 543 CA LYS A 40 -4.892 -6.627 6.515 1.00 0.00 C ATOM 544 C LYS A 40 -6.253 -7.200 6.317 1.00 0.00 C ATOM 545 O LYS A 40 -6.408 -8.099 5.492 1.00 0.00 O ATOM 546 CB LYS A 40 -4.762 -5.211 5.893 1.00 0.00 C ATOM 547 CG LYS A 40 -5.293 -4.036 6.735 1.00 0.00 C ATOM 548 CD LYS A 40 -4.716 -3.979 8.160 1.00 0.00 C ATOM 549 CE LYS A 40 -4.988 -2.643 8.865 1.00 0.00 C ATOM 550 NZ LYS A 40 -4.372 -2.623 10.212 1.00 0.00 N ATOM 0 H LYS A 40 -4.715 -8.063 5.055 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.575 -6.462 7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.709 -5.028 5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.286 -5.209 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.063 -3.102 6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.379 -4.107 6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.143 -4.789 8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.640 -4.148 8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.590 -1.823 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.063 -2.484 8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.569 -1.710 10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.770 -3.392 10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.344 -2.752 10.125 1.00 0.00 H new ATOM 564 N VAL A 41 -7.263 -6.726 7.061 1.00 0.00 N ATOM 565 CA VAL A 41 -8.610 -7.192 6.959 1.00 0.00 C ATOM 566 C VAL A 41 -9.245 -5.846 6.961 1.00 0.00 C ATOM 567 O VAL A 41 -8.662 -4.910 7.509 1.00 0.00 O ATOM 568 CB VAL A 41 -9.109 -8.051 8.123 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.790 -9.302 7.530 1.00 0.00 C ATOM 570 CG2 VAL A 41 -7.943 -8.435 9.064 1.00 0.00 C ATOM 0 H VAL A 41 -7.140 -5.992 7.759 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.801 -7.864 6.122 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.826 -7.492 8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.156 -9.935 8.339 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.626 -8.997 6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.069 -9.859 6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.323 -9.045 9.883 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.196 -9.000 8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.487 -7.530 9.466 1.00 0.00 H new ATOM 580 N GLY A 42 -10.404 -5.703 6.290 1.00 0.00 N ATOM 581 CA GLY A 42 -10.996 -4.410 6.019 1.00 0.00 C ATOM 582 C GLY A 42 -10.849 -4.182 4.551 1.00 0.00 C ATOM 583 O GLY A 42 -11.592 -3.420 3.937 1.00 0.00 O ATOM 0 H GLY A 42 -10.944 -6.489 5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.046 -4.394 6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.495 -3.626 6.587 1.00 0.00 H new ATOM 587 N HIS A 43 -9.865 -4.872 3.944 1.00 0.00 N ATOM 588 CA HIS A 43 -9.737 -4.971 2.521 1.00 0.00 C ATOM 589 C HIS A 43 -9.441 -6.418 2.308 1.00 0.00 C ATOM 590 O HIS A 43 -10.317 -7.186 1.917 1.00 0.00 O ATOM 591 CB HIS A 43 -8.599 -4.124 1.923 1.00 0.00 C ATOM 592 CG HIS A 43 -8.907 -2.655 1.832 1.00 0.00 C ATOM 593 ND1 HIS A 43 -8.511 -1.624 2.613 1.00 0.00 N flip ATOM 594 CD2 HIS A 43 -9.631 -2.123 0.798 1.00 0.00 C flip ATOM 595 CE1 HIS A 43 -8.996 -0.477 2.043 1.00 0.00 C flip ATOM 596 NE2 HIS A 43 -9.668 -0.806 0.949 1.00 0.00 N flip ATOM 0 H HIS A 43 -9.139 -5.374 4.456 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.637 -4.599 2.031 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.703 -4.259 2.529 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.368 -4.498 0.926 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.093 -2.681 -0.003 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.855 0.525 2.421 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.138 -0.151 0.324 1.00 0.00 H new ATOM 605 N GLY A 44 -8.197 -6.842 2.584 1.00 0.00 N ATOM 606 CA GLY A 44 -7.768 -8.170 2.317 1.00 0.00 C ATOM 607 C GLY A 44 -6.315 -7.911 2.229 1.00 0.00 C ATOM 608 O GLY A 44 -5.834 -6.951 2.837 1.00 0.00 O ATOM 0 H GLY A 44 -7.479 -6.249 3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.027 -8.868 3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.184 -8.572 1.393 1.00 0.00 H new ATOM 612 N LEU A 45 -5.624 -8.738 1.419 1.00 0.00 N ATOM 613 CA LEU A 45 -4.209 -8.744 1.144 1.00 0.00 C ATOM 614 C LEU A 45 -3.811 -7.384 0.631 1.00 0.00 C ATOM 615 O LEU A 45 -4.287 -6.946 -0.415 1.00 0.00 O ATOM 616 CB LEU A 45 -3.942 -9.857 0.099 1.00 0.00 C ATOM 617 CG LEU A 45 -2.503 -10.066 -0.418 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.503 -10.491 0.671 1.00 0.00 C ATOM 619 CD2 LEU A 45 -2.515 -11.120 -1.542 1.00 0.00 C ATOM 0 H LEU A 45 -6.103 -9.477 0.904 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.618 -8.948 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.278 -10.800 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.576 -9.657 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.162 -9.098 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.515 -10.618 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.459 -9.724 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.826 -11.433 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.500 -11.271 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.904 -12.061 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.149 -10.774 -2.358 1.00 0.00 H new ATOM 631 N ALA A 46 -2.965 -6.674 1.403 1.00 0.00 N ATOM 632 CA ALA A 46 -2.668 -5.283 1.266 1.00 0.00 C ATOM 633 C ALA A 46 -1.281 -5.346 1.784 1.00 0.00 C ATOM 634 O ALA A 46 -0.988 -6.324 2.480 1.00 0.00 O ATOM 635 CB ALA A 46 -3.517 -4.386 2.183 1.00 0.00 C ATOM 0 H ALA A 46 -2.455 -7.104 2.175 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.836 -4.870 0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.241 -3.343 2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.573 -4.521 1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.340 -4.658 3.224 1.00 0.00 H new ATOM 641 N CYS A 47 -0.374 -4.387 1.486 1.00 0.00 N ATOM 642 CA CYS A 47 1.015 -4.686 1.813 1.00 0.00 C ATOM 643 C CYS A 47 1.636 -3.471 2.384 1.00 0.00 C ATOM 644 O CYS A 47 0.971 -2.452 2.455 1.00 0.00 O ATOM 645 CB CYS A 47 1.819 -5.262 0.630 1.00 0.00 C ATOM 646 SG CYS A 47 1.726 -4.315 -0.910 1.00 0.00 S ATOM 0 H CYS A 47 -0.563 -3.481 1.058 1.00 0.00 H new ATOM 0 HA CYS A 47 1.029 -5.485 2.554 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.865 -5.338 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.469 -6.276 0.435 1.00 0.00 H new ATOM 651 N TRP A 48 2.893 -3.539 2.870 1.00 0.00 N ATOM 652 CA TRP A 48 3.426 -2.496 3.723 1.00 0.00 C ATOM 653 C TRP A 48 4.381 -1.671 2.908 1.00 0.00 C ATOM 654 O TRP A 48 4.925 -2.174 1.927 1.00 0.00 O ATOM 655 CB TRP A 48 4.135 -3.101 4.969 1.00 0.00 C ATOM 656 CG TRP A 48 4.653 -2.096 5.984 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.909 -1.571 6.069 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.861 -1.416 6.975 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.948 -0.579 7.015 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.703 -0.463 7.586 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.529 -1.546 7.352 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.221 0.388 8.575 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.047 -0.701 8.366 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.880 0.258 8.963 1.00 0.00 C ATOM 0 H TRP A 48 3.540 -4.304 2.680 1.00 0.00 H new ATOM 0 HA TRP A 48 2.615 -1.869 4.093 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.437 -3.771 5.472 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.972 -3.710 4.628 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.753 -1.891 5.476 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.766 -0.019 7.255 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.885 -2.274 6.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.862 1.128 9.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.021 -0.791 8.691 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.483 0.904 9.732 1.00 0.00 H new ATOM 675 N CYS A 49 4.619 -0.397 3.322 1.00 0.00 N ATOM 676 CA CYS A 49 5.683 0.425 2.811 1.00 0.00 C ATOM 677 C CYS A 49 6.002 1.351 3.934 1.00 0.00 C ATOM 678 O CYS A 49 5.120 1.690 4.722 1.00 0.00 O ATOM 679 CB CYS A 49 5.306 1.315 1.611 1.00 0.00 C ATOM 680 SG CYS A 49 5.626 0.515 0.026 1.00 0.00 S ATOM 0 H CYS A 49 4.053 0.069 4.031 1.00 0.00 H new ATOM 0 HA CYS A 49 6.485 -0.228 2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.250 1.577 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.869 2.247 1.664 1.00 0.00 H new ATOM 685 N ASN A 50 7.271 1.802 4.004 1.00 0.00 N ATOM 686 CA ASN A 50 7.689 2.841 4.910 1.00 0.00 C ATOM 687 C ASN A 50 8.056 3.990 4.019 1.00 0.00 C ATOM 688 O ASN A 50 8.606 3.782 2.938 1.00 0.00 O ATOM 689 CB ASN A 50 8.959 2.491 5.748 1.00 0.00 C ATOM 690 CG ASN A 50 8.595 2.155 7.201 1.00 0.00 C ATOM 691 OD1 ASN A 50 7.863 1.195 7.464 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.120 2.955 8.177 1.00 0.00 N ATOM 0 H ASN A 50 8.025 1.439 3.420 1.00 0.00 H new ATOM 0 HA ASN A 50 6.888 3.028 5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.474 1.644 5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.652 3.332 5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.911 2.767 9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.721 3.740 7.925 1.00 0.00 H new ATOM 699 N ALA A 51 7.794 5.225 4.507 1.00 0.00 N ATOM 700 CA ALA A 51 8.312 6.482 4.020 1.00 0.00 C ATOM 701 C ALA A 51 7.693 6.883 2.721 1.00 0.00 C ATOM 702 O ALA A 51 8.392 7.315 1.807 1.00 0.00 O ATOM 703 CB ALA A 51 9.850 6.542 3.904 1.00 0.00 C ATOM 0 H ALA A 51 7.171 5.355 5.304 1.00 0.00 H new ATOM 0 HA ALA A 51 8.028 7.197 4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.149 7.522 3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.296 6.376 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.193 5.771 3.214 1.00 0.00 H new ATOM 709 N LEU A 52 6.350 6.784 2.626 1.00 0.00 N ATOM 710 CA LEU A 52 5.660 7.100 1.395 1.00 0.00 C ATOM 711 C LEU A 52 5.253 8.545 1.495 1.00 0.00 C ATOM 712 O LEU A 52 4.699 8.918 2.528 1.00 0.00 O ATOM 713 CB LEU A 52 4.379 6.272 1.135 1.00 0.00 C ATOM 714 CG LEU A 52 4.648 4.828 0.657 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.359 4.002 0.683 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.249 4.753 -0.759 1.00 0.00 C ATOM 0 H LEU A 52 5.742 6.489 3.390 1.00 0.00 H new ATOM 0 HA LEU A 52 6.340 6.874 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.790 6.236 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.774 6.784 0.387 1.00 0.00 H new ATOM 0 HG LEU A 52 5.382 4.421 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.570 2.988 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.968 3.970 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.620 4.459 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.412 3.710 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.561 5.210 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.200 5.286 -0.780 1.00 0.00 H new ATOM 728 N PRO A 53 5.494 9.406 0.517 1.00 0.00 N ATOM 729 CA PRO A 53 5.203 10.818 0.647 1.00 0.00 C ATOM 730 C PRO A 53 3.724 11.070 0.515 1.00 0.00 C ATOM 731 O PRO A 53 2.953 10.161 0.212 1.00 0.00 O ATOM 732 CB PRO A 53 5.997 11.485 -0.492 1.00 0.00 C ATOM 733 CG PRO A 53 6.258 10.370 -1.513 1.00 0.00 C ATOM 734 CD PRO A 53 6.318 9.115 -0.655 1.00 0.00 C ATOM 0 HA PRO A 53 5.485 11.217 1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.431 12.303 -0.939 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.932 11.908 -0.124 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.463 10.311 -2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.190 10.531 -2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.938 8.250 -1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.344 8.885 -0.367 1.00 0.00 H new ATOM 742 N ASP A 54 3.323 12.331 0.740 1.00 0.00 N ATOM 743 CA ASP A 54 1.955 12.775 0.841 1.00 0.00 C ATOM 744 C ASP A 54 1.126 12.546 -0.392 1.00 0.00 C ATOM 745 O ASP A 54 -0.102 12.544 -0.331 1.00 0.00 O ATOM 746 CB ASP A 54 1.903 14.294 1.086 1.00 0.00 C ATOM 747 CG ASP A 54 2.605 14.630 2.400 1.00 0.00 C ATOM 748 OD1 ASP A 54 2.081 14.231 3.474 1.00 0.00 O ATOM 749 OD2 ASP A 54 3.687 15.275 2.344 1.00 0.00 O ATOM 0 H ASP A 54 3.990 13.094 0.860 1.00 0.00 H new ATOM 0 HA ASP A 54 1.547 12.184 1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.383 14.821 0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.867 14.631 1.120 1.00 0.00 H new ATOM 754 N ASN A 55 1.776 12.362 -1.557 1.00 0.00 N ATOM 755 CA ASN A 55 1.091 12.197 -2.816 1.00 0.00 C ATOM 756 C ASN A 55 0.642 10.772 -2.986 1.00 0.00 C ATOM 757 O ASN A 55 -0.143 10.485 -3.887 1.00 0.00 O ATOM 758 CB ASN A 55 1.951 12.595 -4.051 1.00 0.00 C ATOM 759 CG ASN A 55 3.285 11.834 -4.075 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.133 12.100 -3.217 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.454 10.877 -5.032 1.00 0.00 N ATOM 0 H ASN A 55 2.793 12.326 -1.633 1.00 0.00 H new ATOM 0 HA ASN A 55 0.237 12.874 -2.776 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.395 12.387 -4.965 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.143 13.668 -4.032 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.318 10.336 -5.065 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.716 10.703 -5.715 1.00 0.00 H new ATOM 768 N VAL A 56 1.135 9.836 -2.146 1.00 0.00 N ATOM 769 CA VAL A 56 0.797 8.445 -2.304 1.00 0.00 C ATOM 770 C VAL A 56 -0.435 8.209 -1.473 1.00 0.00 C ATOM 771 O VAL A 56 -0.395 8.287 -0.247 1.00 0.00 O ATOM 772 CB VAL A 56 1.916 7.491 -1.903 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.639 6.104 -2.525 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.263 8.101 -2.357 1.00 0.00 C ATOM 0 H VAL A 56 1.760 10.037 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 56 0.626 8.236 -3.360 1.00 0.00 H new ATOM 0 HB VAL A 56 1.964 7.353 -0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.434 5.414 -2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.684 5.726 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.603 6.193 -3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.077 7.432 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.256 8.234 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.406 9.068 -1.874 1.00 0.00 H new ATOM 784 N GLY A 57 -1.582 7.916 -2.120 1.00 0.00 N ATOM 785 CA GLY A 57 -2.781 7.555 -1.406 1.00 0.00 C ATOM 786 C GLY A 57 -2.708 6.073 -1.259 1.00 0.00 C ATOM 787 O GLY A 57 -2.176 5.387 -2.132 1.00 0.00 O ATOM 0 H GLY A 57 -1.683 7.928 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.825 8.047 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.673 7.854 -1.956 1.00 0.00 H new ATOM 791 N ILE A 58 -3.184 5.570 -0.108 1.00 0.00 N ATOM 792 CA ILE A 58 -2.870 4.267 0.405 1.00 0.00 C ATOM 793 C ILE A 58 -4.158 3.834 1.035 1.00 0.00 C ATOM 794 O ILE A 58 -5.223 4.179 0.526 1.00 0.00 O ATOM 795 CB ILE A 58 -1.703 4.312 1.387 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.853 5.378 2.502 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.413 4.553 0.578 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.757 5.277 3.566 1.00 0.00 C ATOM 0 H ILE A 58 -3.818 6.093 0.496 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.531 3.567 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.674 3.358 1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.829 6.372 2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.827 5.266 2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.440 4.590 1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.274 3.741 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.491 5.499 0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.911 6.047 4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.796 4.294 4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.218 5.417 3.099 1.00 0.00 H new ATOM 810 N ILE A 59 -4.113 3.073 2.158 1.00 0.00 N ATOM 811 CA ILE A 59 -5.300 2.758 2.922 1.00 0.00 C ATOM 812 C ILE A 59 -5.777 4.046 3.546 1.00 0.00 C ATOM 813 O ILE A 59 -5.026 4.753 4.217 1.00 0.00 O ATOM 814 CB ILE A 59 -5.172 1.702 4.017 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.173 0.577 3.672 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.581 1.134 4.288 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.509 -0.292 2.462 1.00 0.00 C ATOM 0 H ILE A 59 -3.254 2.675 2.538 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.994 2.310 2.211 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.764 2.175 4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.196 1.030 3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.079 -0.073 4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.523 0.375 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.241 1.938 4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.975 0.687 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.731 -1.043 2.326 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.467 -0.787 2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.570 0.333 1.571 1.00 0.00 H new ATOM 829 N VAL A 60 -7.028 4.397 3.240 1.00 0.00 N ATOM 830 CA VAL A 60 -7.561 5.711 3.386 1.00 0.00 C ATOM 831 C VAL A 60 -8.868 5.460 4.079 1.00 0.00 C ATOM 832 O VAL A 60 -9.330 4.321 4.141 1.00 0.00 O ATOM 833 CB VAL A 60 -7.630 6.325 1.978 1.00 0.00 C ATOM 834 CG1 VAL A 60 -8.853 7.207 1.660 1.00 0.00 C ATOM 835 CG2 VAL A 60 -6.302 7.068 1.734 1.00 0.00 C ATOM 0 H VAL A 60 -7.707 3.731 2.871 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.992 6.435 3.970 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.773 5.498 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.779 7.577 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.764 6.618 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.882 8.051 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.314 7.518 0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.178 7.848 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.473 6.364 1.803 1.00 0.00 H new