USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 668 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 61 GLN : amide:sc= -0.184 X(o=-0.66,f=-0.42) USER MOD Set 1.2: A 69 MET CE :methyl -173:sc= -0.476 (180deg=-0.385) USER MOD Set 2.1: A 50 LYS NZ :NH3+ -127:sc= 1.15 (180deg=0.694) USER MOD Set 2.2: A 73 TYR OH : rot -10:sc= 1.72 USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0.143 USER MOD Set 3.2: A 37 TYR OH : rot 174:sc= 0.0656 USER MOD Set 3.3: A 78 HIS : no HD1:sc= -2.07 X(o=0.073,f=-0.29) USER MOD Set 3.4: A 80 TYR OH : rot 108:sc= 1.93 USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.47! (180deg=-2.4!) USER MOD Single : A 2 THR OG1 : rot -72:sc= 1.15 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0.388 K(o=0.39,f=-0.13) USER MOD Single : A 6 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.1) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0329 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 90:sc= -1.52 USER MOD Single : A 27 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 38 SER OG : rot 180:sc= 0.402 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0854 USER MOD Single : A 53 SER OG : rot 180:sc= 0.124 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.6 K(o=-0.6,f=-6.5!) USER MOD Single : A 59 SER OG : rot 88:sc= 1.31 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.238 K(o=-0.24,f=-5!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 83 SER OG : rot 14:sc= 0.786 USER MOD Single : A 89 THR OG1 : rot 70:sc= -0.236 USER MOD Single : A 90 HIS : no HD1:sc= -0.768 K(o=-0.77,f=-2.5) USER MOD Single : A 91 LYS NZ :NH3+ -110:sc= 1.77 (180deg=0.447!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.414 -2.671 -0.988 1.00 0.00 N ATOM 2 CA ALA A 1 17.283 -4.126 -0.764 1.00 0.00 C ATOM 3 C ALA A 1 16.295 -4.831 -1.703 1.00 0.00 C ATOM 4 O ALA A 1 16.673 -5.812 -2.338 1.00 0.00 O ATOM 5 CB ALA A 1 17.012 -4.470 0.703 1.00 0.00 C ATOM 0 H1 ALA A 1 17.480 -2.183 -0.072 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.272 -2.481 -1.544 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.582 -2.323 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 1 18.262 -4.528 -1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.924 -5.551 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.835 -4.108 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 1 16.084 -3.996 1.022 1.00 0.00 H new ATOM 12 N THR A 2 15.050 -4.348 -1.771 1.00 0.00 N ATOM 13 CA THR A 2 13.987 -4.803 -2.652 1.00 0.00 C ATOM 14 C THR A 2 13.308 -6.059 -2.102 1.00 0.00 C ATOM 15 O THR A 2 13.970 -7.061 -1.842 1.00 0.00 O ATOM 16 CB THR A 2 14.482 -4.944 -4.095 1.00 0.00 C ATOM 17 OG1 THR A 2 15.424 -3.935 -4.416 1.00 0.00 O ATOM 18 CG2 THR A 2 13.316 -4.912 -5.089 1.00 0.00 C ATOM 0 H THR A 2 14.746 -3.581 -1.172 1.00 0.00 H new ATOM 0 HA THR A 2 13.210 -4.039 -2.682 1.00 0.00 H new ATOM 0 HB THR A 2 14.975 -5.913 -4.173 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.965 -3.074 -4.501 1.00 0.00 H new ATOM 0 HG21 THR A 2 13.700 -5.014 -6.104 1.00 0.00 H new ATOM 0 HG22 THR A 2 12.633 -5.734 -4.875 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.784 -3.965 -4.996 1.00 0.00 H new ATOM 26 N TYR A 3 11.984 -6.006 -1.907 1.00 0.00 N ATOM 27 CA TYR A 3 11.234 -7.058 -1.232 1.00 0.00 C ATOM 28 C TYR A 3 10.038 -7.499 -2.060 1.00 0.00 C ATOM 29 O TYR A 3 9.538 -6.753 -2.900 1.00 0.00 O ATOM 30 CB TYR A 3 10.761 -6.585 0.145 1.00 0.00 C ATOM 31 CG TYR A 3 11.878 -6.157 1.077 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.891 -7.062 1.447 1.00 0.00 C ATOM 33 CD2 TYR A 3 11.890 -4.851 1.592 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.916 -6.653 2.319 1.00 0.00 C ATOM 35 CE2 TYR A 3 12.872 -4.470 2.518 1.00 0.00 C ATOM 36 CZ TYR A 3 13.894 -5.362 2.871 1.00 0.00 C ATOM 37 OH TYR A 3 14.861 -4.982 3.752 1.00 0.00 O ATOM 0 H TYR A 3 11.405 -5.225 -2.217 1.00 0.00 H new ATOM 0 HA TYR A 3 11.903 -7.910 -1.107 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.074 -5.749 0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.197 -7.389 0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.881 -8.071 1.061 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.142 -4.139 1.275 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.720 -7.332 2.564 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.841 -3.485 2.961 1.00 0.00 H new ATOM 0 HH TYR A 3 14.699 -4.059 4.037 1.00 0.00 H new ATOM 47 N ASN A 4 9.607 -8.733 -1.797 1.00 0.00 N ATOM 48 CA ASN A 4 8.429 -9.387 -2.311 1.00 0.00 C ATOM 49 C ASN A 4 7.204 -8.744 -1.675 1.00 0.00 C ATOM 50 O ASN A 4 6.880 -9.024 -0.521 1.00 0.00 O ATOM 51 CB ASN A 4 8.551 -10.867 -1.924 1.00 0.00 C ATOM 52 CG ASN A 4 7.319 -11.710 -2.226 1.00 0.00 C ATOM 53 OD1 ASN A 4 7.120 -12.751 -1.611 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.526 -11.295 -3.202 1.00 0.00 N ATOM 0 H ASN A 4 10.125 -9.342 -1.164 1.00 0.00 H new ATOM 0 HA ASN A 4 8.332 -9.294 -3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.405 -11.296 -2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.766 -10.933 -0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.712 -11.849 -3.468 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.729 -10.421 -3.688 1.00 0.00 H new ATOM 61 N VAL A 5 6.534 -7.877 -2.433 1.00 0.00 N ATOM 62 CA VAL A 5 5.277 -7.285 -2.013 1.00 0.00 C ATOM 63 C VAL A 5 4.149 -7.955 -2.777 1.00 0.00 C ATOM 64 O VAL A 5 4.127 -7.880 -4.005 1.00 0.00 O ATOM 65 CB VAL A 5 5.269 -5.773 -2.251 1.00 0.00 C ATOM 66 CG1 VAL A 5 3.954 -5.185 -1.714 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.471 -5.140 -1.553 1.00 0.00 C ATOM 0 H VAL A 5 6.851 -7.570 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 5 5.144 -7.442 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 5 5.339 -5.561 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.942 -4.108 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.112 -5.642 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.874 -5.388 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.465 -4.063 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.417 -5.339 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.391 -5.565 -1.955 1.00 0.00 H new ATOM 77 N LYS A 6 3.204 -8.575 -2.066 1.00 0.00 N ATOM 78 CA LYS A 6 1.954 -8.988 -2.668 1.00 0.00 C ATOM 79 C LYS A 6 0.906 -7.894 -2.552 1.00 0.00 C ATOM 80 O LYS A 6 0.647 -7.401 -1.452 1.00 0.00 O ATOM 81 CB LYS A 6 1.451 -10.267 -2.019 1.00 0.00 C ATOM 82 CG LYS A 6 0.147 -10.684 -2.712 1.00 0.00 C ATOM 83 CD LYS A 6 -0.464 -11.952 -2.133 1.00 0.00 C ATOM 84 CE LYS A 6 0.570 -13.073 -2.086 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.070 -14.396 -2.188 1.00 0.00 N ATOM 0 H LYS A 6 3.290 -8.798 -1.074 1.00 0.00 H new ATOM 0 HA LYS A 6 2.135 -9.177 -3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.197 -11.056 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.281 -10.110 -0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.575 -9.871 -2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.340 -10.834 -3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.841 -11.755 -1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.316 -12.261 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.283 -12.948 -2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.135 -13.011 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.661 -15.135 -2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.694 -14.544 -1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.630 -14.444 -3.063 1.00 0.00 H new ATOM 99 N LEU A 7 0.245 -7.612 -3.680 1.00 0.00 N ATOM 100 CA LEU A 7 -0.957 -6.808 -3.744 1.00 0.00 C ATOM 101 C LEU A 7 -2.126 -7.723 -4.072 1.00 0.00 C ATOM 102 O LEU A 7 -2.258 -8.132 -5.218 1.00 0.00 O ATOM 103 CB LEU A 7 -0.751 -5.723 -4.811 1.00 0.00 C ATOM 104 CG LEU A 7 0.517 -4.884 -4.600 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.615 -3.831 -5.700 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.552 -4.200 -3.236 1.00 0.00 C ATOM 0 H LEU A 7 0.549 -7.951 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.171 -6.315 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.705 -6.195 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.617 -5.061 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 7 1.367 -5.565 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.515 -3.234 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.661 -4.323 -6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.261 -3.183 -5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.471 -3.621 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.307 -3.536 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.517 -4.954 -2.450 1.00 0.00 H new ATOM 118 N ILE A 8 -2.963 -8.073 -3.088 1.00 0.00 N ATOM 119 CA ILE A 8 -4.195 -8.810 -3.324 1.00 0.00 C ATOM 120 C ILE A 8 -5.179 -7.825 -3.944 1.00 0.00 C ATOM 121 O ILE A 8 -5.895 -7.103 -3.250 1.00 0.00 O ATOM 122 CB ILE A 8 -4.680 -9.472 -2.024 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.700 -10.569 -1.583 1.00 0.00 C ATOM 124 CG2 ILE A 8 -6.090 -10.069 -2.168 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.746 -10.817 -0.076 1.00 0.00 C ATOM 0 H ILE A 8 -2.798 -7.849 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.063 -9.642 -4.016 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.723 -8.690 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.934 -11.495 -2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.688 -10.286 -1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.390 -10.526 -1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.795 -9.279 -2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.086 -10.826 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.035 -11.601 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.485 -9.900 0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.751 -11.127 0.211 1.00 0.00 H new ATOM 137 N THR A 9 -5.159 -7.758 -5.271 1.00 0.00 N ATOM 138 CA THR A 9 -6.081 -6.971 -6.056 1.00 0.00 C ATOM 139 C THR A 9 -7.321 -7.814 -6.366 1.00 0.00 C ATOM 140 O THR A 9 -7.188 -9.036 -6.479 1.00 0.00 O ATOM 141 CB THR A 9 -5.397 -6.601 -7.366 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.939 -7.783 -7.999 1.00 0.00 O ATOM 143 CG2 THR A 9 -4.138 -5.771 -7.148 1.00 0.00 C ATOM 0 H THR A 9 -4.480 -8.266 -5.838 1.00 0.00 H new ATOM 0 HA THR A 9 -6.373 -6.074 -5.510 1.00 0.00 H new ATOM 0 HB THR A 9 -6.131 -6.044 -7.948 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.499 -7.552 -8.844 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.688 -5.533 -8.112 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.396 -4.847 -6.630 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.428 -6.338 -6.546 1.00 0.00 H new ATOM 151 N PRO A 10 -8.485 -7.189 -6.606 1.00 0.00 N ATOM 152 CA PRO A 10 -9.717 -7.877 -6.955 1.00 0.00 C ATOM 153 C PRO A 10 -9.559 -8.743 -8.211 1.00 0.00 C ATOM 154 O PRO A 10 -10.185 -9.791 -8.333 1.00 0.00 O ATOM 155 CB PRO A 10 -10.781 -6.804 -7.152 1.00 0.00 C ATOM 156 CG PRO A 10 -10.172 -5.510 -6.656 1.00 0.00 C ATOM 157 CD PRO A 10 -8.679 -5.755 -6.602 1.00 0.00 C ATOM 0 HA PRO A 10 -10.001 -8.566 -6.159 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.064 -6.724 -8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.686 -7.047 -6.596 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.409 -4.683 -7.326 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.561 -5.245 -5.673 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.182 -5.296 -7.457 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.247 -5.310 -5.705 1.00 0.00 H new ATOM 165 N ASP A 11 -8.695 -8.291 -9.127 1.00 0.00 N ATOM 166 CA ASP A 11 -8.270 -8.974 -10.340 1.00 0.00 C ATOM 167 C ASP A 11 -7.784 -10.385 -10.033 1.00 0.00 C ATOM 168 O ASP A 11 -7.951 -11.301 -10.835 1.00 0.00 O ATOM 169 CB ASP A 11 -7.123 -8.168 -10.960 1.00 0.00 C ATOM 170 CG ASP A 11 -7.654 -6.970 -11.726 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.952 -5.972 -11.035 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.774 -7.086 -12.965 1.00 0.00 O ATOM 0 H ASP A 11 -8.249 -7.379 -9.028 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.114 -9.049 -11.026 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.445 -7.832 -10.176 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.546 -8.806 -11.629 1.00 0.00 H new ATOM 177 N GLY A 12 -7.171 -10.535 -8.860 1.00 0.00 N ATOM 178 CA GLY A 12 -6.741 -11.795 -8.310 1.00 0.00 C ATOM 179 C GLY A 12 -5.232 -11.789 -8.102 1.00 0.00 C ATOM 180 O GLY A 12 -4.531 -12.608 -8.688 1.00 0.00 O ATOM 0 H GLY A 12 -6.958 -9.744 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.246 -11.977 -7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.020 -12.607 -8.981 1.00 0.00 H new ATOM 184 N GLU A 13 -4.773 -10.865 -7.245 1.00 0.00 N ATOM 185 CA GLU A 13 -3.402 -10.700 -6.780 1.00 0.00 C ATOM 186 C GLU A 13 -2.434 -10.226 -7.857 1.00 0.00 C ATOM 187 O GLU A 13 -2.583 -10.505 -9.043 1.00 0.00 O ATOM 188 CB GLU A 13 -2.855 -11.987 -6.168 1.00 0.00 C ATOM 189 CG GLU A 13 -3.437 -12.342 -4.804 1.00 0.00 C ATOM 190 CD GLU A 13 -3.175 -13.801 -4.424 1.00 0.00 C ATOM 191 OE1 GLU A 13 -2.102 -14.074 -3.835 1.00 0.00 O ATOM 192 OE2 GLU A 13 -4.062 -14.627 -4.715 1.00 0.00 O ATOM 0 H GLU A 13 -5.398 -10.170 -6.835 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.466 -9.918 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.048 -12.811 -6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.773 -11.897 -6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.006 -11.688 -4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.511 -12.158 -4.810 1.00 0.00 H new ATOM 199 N VAL A 14 -1.376 -9.561 -7.390 1.00 0.00 N ATOM 200 CA VAL A 14 -0.224 -9.209 -8.186 1.00 0.00 C ATOM 201 C VAL A 14 0.972 -8.995 -7.256 1.00 0.00 C ATOM 202 O VAL A 14 1.104 -7.961 -6.599 1.00 0.00 O ATOM 203 CB VAL A 14 -0.583 -8.036 -9.107 1.00 0.00 C ATOM 204 CG1 VAL A 14 -0.955 -6.730 -8.408 1.00 0.00 C ATOM 205 CG2 VAL A 14 0.486 -7.802 -10.166 1.00 0.00 C ATOM 0 H VAL A 14 -1.306 -9.249 -6.421 1.00 0.00 H new ATOM 0 HA VAL A 14 0.079 -10.009 -8.862 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.505 -8.361 -9.590 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.190 -5.972 -9.155 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.824 -6.893 -7.771 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.117 -6.392 -7.798 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.195 -6.963 -10.798 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.436 -7.578 -9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.594 -8.697 -10.778 1.00 0.00 H new ATOM 215 N GLU A 15 1.818 -10.020 -7.141 1.00 0.00 N ATOM 216 CA GLU A 15 3.111 -9.904 -6.498 1.00 0.00 C ATOM 217 C GLU A 15 4.095 -9.137 -7.368 1.00 0.00 C ATOM 218 O GLU A 15 4.070 -9.248 -8.592 1.00 0.00 O ATOM 219 CB GLU A 15 3.679 -11.281 -6.137 1.00 0.00 C ATOM 220 CG GLU A 15 3.042 -11.790 -4.845 1.00 0.00 C ATOM 221 CD GLU A 15 3.617 -13.129 -4.412 1.00 0.00 C ATOM 222 OE1 GLU A 15 4.847 -13.148 -4.202 1.00 0.00 O ATOM 223 OE2 GLU A 15 2.820 -14.082 -4.259 1.00 0.00 O ATOM 0 H GLU A 15 1.617 -10.955 -7.496 1.00 0.00 H new ATOM 0 HA GLU A 15 2.963 -9.343 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.489 -11.985 -6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.761 -11.217 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.195 -11.057 -4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.965 -11.887 -4.986 1.00 0.00 H new ATOM 230 N PHE A 16 4.968 -8.374 -6.711 1.00 0.00 N ATOM 231 CA PHE A 16 6.017 -7.607 -7.364 1.00 0.00 C ATOM 232 C PHE A 16 7.178 -7.286 -6.423 1.00 0.00 C ATOM 233 O PHE A 16 7.121 -7.620 -5.235 1.00 0.00 O ATOM 234 CB PHE A 16 5.424 -6.404 -8.077 1.00 0.00 C ATOM 235 CG PHE A 16 5.218 -5.194 -7.222 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.227 -5.188 -6.232 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.132 -4.136 -7.319 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.148 -4.110 -5.344 1.00 0.00 C ATOM 239 CE2 PHE A 16 6.046 -3.065 -6.434 1.00 0.00 C ATOM 240 CZ PHE A 16 5.026 -3.021 -5.475 1.00 0.00 C ATOM 0 H PHE A 16 4.963 -8.273 -5.696 1.00 0.00 H new ATOM 0 HA PHE A 16 6.475 -8.224 -8.137 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.077 -6.135 -8.907 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.465 -6.693 -8.507 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.530 -6.009 -6.155 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.900 -4.152 -8.078 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.410 -4.115 -4.555 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.769 -2.264 -6.487 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.915 -2.155 -4.840 1.00 0.00 H new ATOM 250 N LYS A 17 8.257 -6.713 -6.971 1.00 0.00 N ATOM 251 CA LYS A 17 9.450 -6.359 -6.214 1.00 0.00 C ATOM 252 C LYS A 17 9.416 -4.858 -5.961 1.00 0.00 C ATOM 253 O LYS A 17 9.338 -4.072 -6.899 1.00 0.00 O ATOM 254 CB LYS A 17 10.719 -6.795 -6.972 1.00 0.00 C ATOM 255 CG LYS A 17 11.432 -8.020 -6.371 1.00 0.00 C ATOM 256 CD LYS A 17 10.445 -9.109 -5.930 1.00 0.00 C ATOM 257 CE LYS A 17 10.969 -10.536 -6.134 1.00 0.00 C ATOM 258 NZ LYS A 17 12.146 -10.825 -5.290 1.00 0.00 N ATOM 0 H LYS A 17 8.320 -6.483 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 17 9.470 -6.880 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.452 -7.017 -8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.418 -5.959 -6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.121 -8.434 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.030 -7.706 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.207 -8.966 -4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.515 -8.990 -6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.176 -11.248 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.232 -10.678 -7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.465 -11.800 -5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.913 -10.163 -5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.890 -10.716 -4.288 1.00 0.00 H new ATOM 272 N CYS A 18 9.462 -4.460 -4.690 1.00 0.00 N ATOM 273 CA CYS A 18 9.385 -3.055 -4.316 1.00 0.00 C ATOM 274 C CYS A 18 10.606 -2.682 -3.509 1.00 0.00 C ATOM 275 O CYS A 18 10.924 -3.379 -2.543 1.00 0.00 O ATOM 276 CB CYS A 18 8.114 -2.766 -3.542 1.00 0.00 C ATOM 277 SG CYS A 18 7.901 -0.960 -3.542 1.00 0.00 S ATOM 0 H CYS A 18 9.553 -5.099 -3.900 1.00 0.00 H new ATOM 0 HA CYS A 18 9.359 -2.449 -5.222 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.258 -3.257 -4.006 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.186 -3.147 -2.523 1.00 0.00 H new ATOM 0 HG CYS A 18 7.203 -0.605 -4.580 1.00 0.00 H new ATOM 283 N ASP A 19 11.297 -1.614 -3.914 1.00 0.00 N ATOM 284 CA ASP A 19 12.449 -1.137 -3.179 1.00 0.00 C ATOM 285 C ASP A 19 12.007 -0.546 -1.846 1.00 0.00 C ATOM 286 O ASP A 19 11.001 0.145 -1.728 1.00 0.00 O ATOM 287 CB ASP A 19 13.279 -0.155 -4.002 1.00 0.00 C ATOM 288 CG ASP A 19 13.636 -0.757 -5.346 1.00 0.00 C ATOM 289 OD1 ASP A 19 14.506 -1.655 -5.340 1.00 0.00 O ATOM 290 OD2 ASP A 19 12.982 -0.360 -6.332 1.00 0.00 O ATOM 0 H ASP A 19 11.072 -1.070 -4.747 1.00 0.00 H new ATOM 0 HA ASP A 19 13.103 -1.984 -2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.720 0.769 -4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.188 0.105 -3.460 1.00 0.00 H new ATOM 295 N ASP A 20 12.831 -0.811 -0.852 1.00 0.00 N ATOM 296 CA ASP A 20 12.822 -0.331 0.517 1.00 0.00 C ATOM 297 C ASP A 20 12.908 1.192 0.577 1.00 0.00 C ATOM 298 O ASP A 20 12.477 1.801 1.554 1.00 0.00 O ATOM 299 CB ASP A 20 13.937 -1.042 1.332 1.00 0.00 C ATOM 300 CG ASP A 20 15.199 -1.463 0.570 1.00 0.00 C ATOM 301 OD1 ASP A 20 15.064 -1.986 -0.563 1.00 0.00 O ATOM 302 OD2 ASP A 20 16.330 -1.440 1.095 1.00 0.00 O ATOM 0 H ASP A 20 13.617 -1.444 -1.003 1.00 0.00 H new ATOM 0 HA ASP A 20 11.869 -0.586 0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.237 -0.379 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.506 -1.932 1.790 1.00 0.00 H new ATOM 307 N ASP A 21 13.415 1.793 -0.497 1.00 0.00 N ATOM 308 CA ASP A 21 13.594 3.221 -0.664 1.00 0.00 C ATOM 309 C ASP A 21 12.572 3.780 -1.661 1.00 0.00 C ATOM 310 O ASP A 21 12.734 4.912 -2.114 1.00 0.00 O ATOM 311 CB ASP A 21 15.023 3.476 -1.167 1.00 0.00 C ATOM 312 CG ASP A 21 16.096 3.056 -0.173 1.00 0.00 C ATOM 313 OD1 ASP A 21 16.180 3.714 0.887 1.00 0.00 O ATOM 314 OD2 ASP A 21 16.829 2.100 -0.507 1.00 0.00 O ATOM 0 H ASP A 21 13.726 1.264 -1.312 1.00 0.00 H new ATOM 0 HA ASP A 21 13.439 3.725 0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.173 2.937 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.139 4.537 -1.389 1.00 0.00 H new ATOM 319 N VAL A 22 11.531 3.017 -2.031 1.00 0.00 N ATOM 320 CA VAL A 22 10.516 3.486 -2.967 1.00 0.00 C ATOM 321 C VAL A 22 9.120 3.109 -2.479 1.00 0.00 C ATOM 322 O VAL A 22 8.946 2.199 -1.671 1.00 0.00 O ATOM 323 CB VAL A 22 10.825 2.976 -4.388 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.207 1.609 -4.692 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.337 3.968 -5.443 1.00 0.00 C ATOM 0 H VAL A 22 11.377 2.068 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 22 10.538 4.575 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 22 11.910 2.874 -4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.464 1.311 -5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.593 0.871 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.123 1.670 -4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.567 3.585 -6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.260 4.102 -5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.836 4.927 -5.299 1.00 0.00 H new ATOM 335 N TYR A 23 8.119 3.842 -2.958 1.00 0.00 N ATOM 336 CA TYR A 23 6.741 3.661 -2.556 1.00 0.00 C ATOM 337 C TYR A 23 6.139 2.423 -3.222 1.00 0.00 C ATOM 338 O TYR A 23 6.484 2.118 -4.366 1.00 0.00 O ATOM 339 CB TYR A 23 5.959 4.906 -2.966 1.00 0.00 C ATOM 340 CG TYR A 23 6.517 6.201 -2.423 1.00 0.00 C ATOM 341 CD1 TYR A 23 6.538 6.432 -1.038 1.00 0.00 C ATOM 342 CD2 TYR A 23 7.041 7.162 -3.306 1.00 0.00 C ATOM 343 CE1 TYR A 23 6.964 7.675 -0.547 1.00 0.00 C ATOM 344 CE2 TYR A 23 7.595 8.349 -2.800 1.00 0.00 C ATOM 345 CZ TYR A 23 7.551 8.605 -1.419 1.00 0.00 C ATOM 346 OH TYR A 23 8.012 9.790 -0.928 1.00 0.00 O ATOM 0 H TYR A 23 8.251 4.585 -3.644 1.00 0.00 H new ATOM 0 HA TYR A 23 6.690 3.517 -1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.935 4.963 -4.054 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.928 4.800 -2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.228 5.656 -0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.017 6.987 -4.372 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.841 7.916 0.499 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.053 9.062 -3.469 1.00 0.00 H new ATOM 0 HH TYR A 23 8.390 10.322 -1.659 1.00 0.00 H new ATOM 356 N VAL A 24 5.191 1.749 -2.557 1.00 0.00 N ATOM 357 CA VAL A 24 4.441 0.641 -3.153 1.00 0.00 C ATOM 358 C VAL A 24 3.435 1.148 -4.195 1.00 0.00 C ATOM 359 O VAL A 24 2.224 1.006 -4.049 1.00 0.00 O ATOM 360 CB VAL A 24 3.706 -0.191 -2.090 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.413 -1.580 -2.654 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.470 -0.410 -0.791 1.00 0.00 C ATOM 0 H VAL A 24 4.925 1.957 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 24 5.172 -0.000 -3.646 1.00 0.00 H new ATOM 0 HB VAL A 24 2.813 0.389 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.892 -2.175 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.788 -1.488 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.350 -2.070 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.865 -1.008 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.403 -0.933 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.690 0.554 -0.331 1.00 0.00 H new ATOM 372 N LEU A 25 3.961 1.690 -5.283 1.00 0.00 N ATOM 373 CA LEU A 25 3.237 2.017 -6.499 1.00 0.00 C ATOM 374 C LEU A 25 4.238 2.222 -7.622 1.00 0.00 C ATOM 375 O LEU A 25 4.033 1.734 -8.722 1.00 0.00 O ATOM 376 CB LEU A 25 2.278 3.214 -6.354 1.00 0.00 C ATOM 377 CG LEU A 25 2.887 4.594 -6.663 1.00 0.00 C ATOM 378 CD1 LEU A 25 1.764 5.608 -6.775 1.00 0.00 C ATOM 379 CD2 LEU A 25 3.842 5.065 -5.568 1.00 0.00 C ATOM 0 H LEU A 25 4.952 1.924 -5.343 1.00 0.00 H new ATOM 0 HA LEU A 25 2.583 1.177 -6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.426 3.056 -7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.892 3.227 -5.335 1.00 0.00 H new ATOM 0 HG LEU A 25 3.449 4.505 -7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.182 6.591 -6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.087 5.314 -7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.215 5.648 -5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.245 6.043 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.304 5.138 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.659 4.351 -5.466 1.00 0.00 H new ATOM 391 N ASP A 26 5.334 2.927 -7.332 1.00 0.00 N ATOM 392 CA ASP A 26 6.286 3.379 -8.333 1.00 0.00 C ATOM 393 C ASP A 26 6.824 2.171 -9.094 1.00 0.00 C ATOM 394 O ASP A 26 6.623 2.018 -10.300 1.00 0.00 O ATOM 395 CB ASP A 26 7.398 4.152 -7.618 1.00 0.00 C ATOM 396 CG ASP A 26 8.096 5.131 -8.546 1.00 0.00 C ATOM 397 OD1 ASP A 26 9.006 4.672 -9.264 1.00 0.00 O ATOM 398 OD2 ASP A 26 7.721 6.322 -8.491 1.00 0.00 O ATOM 0 H ASP A 26 5.583 3.200 -6.381 1.00 0.00 H new ATOM 0 HA ASP A 26 5.817 4.041 -9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.977 4.693 -6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.128 3.449 -7.217 1.00 0.00 H new ATOM 403 N GLN A 27 7.414 1.243 -8.333 1.00 0.00 N ATOM 404 CA GLN A 27 7.888 -0.005 -8.898 1.00 0.00 C ATOM 405 C GLN A 27 6.723 -0.817 -9.465 1.00 0.00 C ATOM 406 O GLN A 27 6.871 -1.495 -10.475 1.00 0.00 O ATOM 407 CB GLN A 27 8.673 -0.816 -7.858 1.00 0.00 C ATOM 408 CG GLN A 27 10.147 -0.411 -7.779 1.00 0.00 C ATOM 409 CD GLN A 27 10.903 -0.706 -9.070 1.00 0.00 C ATOM 410 OE1 GLN A 27 11.128 -1.858 -9.429 1.00 0.00 O ATOM 411 NE2 GLN A 27 11.258 0.345 -9.802 1.00 0.00 N ATOM 0 H GLN A 27 7.570 1.340 -7.330 1.00 0.00 H new ATOM 0 HA GLN A 27 8.567 0.229 -9.718 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.212 -0.685 -6.879 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.605 -1.876 -8.104 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.217 0.654 -7.556 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.623 -0.941 -6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.055 1.288 -9.472 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.734 0.208 -10.694 1.00 0.00 H new ATOM 420 N ALA A 28 5.553 -0.756 -8.829 1.00 0.00 N ATOM 421 CA ALA A 28 4.398 -1.502 -9.297 1.00 0.00 C ATOM 422 C ALA A 28 4.096 -1.128 -10.751 1.00 0.00 C ATOM 423 O ALA A 28 4.084 -1.986 -11.635 1.00 0.00 O ATOM 424 CB ALA A 28 3.200 -1.252 -8.383 1.00 0.00 C ATOM 0 H ALA A 28 5.386 -0.198 -7.992 1.00 0.00 H new ATOM 0 HA ALA A 28 4.614 -2.570 -9.264 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.341 -1.817 -8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.443 -1.571 -7.369 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.960 -0.189 -8.381 1.00 0.00 H new ATOM 430 N GLU A 29 3.885 0.163 -11.003 1.00 0.00 N ATOM 431 CA GLU A 29 3.644 0.702 -12.325 1.00 0.00 C ATOM 432 C GLU A 29 4.807 0.336 -13.254 1.00 0.00 C ATOM 433 O GLU A 29 4.556 -0.049 -14.394 1.00 0.00 O ATOM 434 CB GLU A 29 3.404 2.218 -12.247 1.00 0.00 C ATOM 435 CG GLU A 29 2.082 2.538 -11.527 1.00 0.00 C ATOM 436 CD GLU A 29 1.808 4.036 -11.449 1.00 0.00 C ATOM 437 OE1 GLU A 29 1.964 4.699 -12.497 1.00 0.00 O ATOM 438 OE2 GLU A 29 1.433 4.491 -10.346 1.00 0.00 O ATOM 0 H GLU A 29 3.878 0.873 -10.271 1.00 0.00 H new ATOM 0 HA GLU A 29 2.740 0.261 -12.745 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.232 2.693 -11.720 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.384 2.637 -13.253 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.260 2.048 -12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.111 2.124 -10.519 1.00 0.00 H new ATOM 445 N GLU A 30 6.059 0.380 -12.773 1.00 0.00 N ATOM 446 CA GLU A 30 7.196 -0.147 -13.532 1.00 0.00 C ATOM 447 C GLU A 30 6.975 -1.583 -14.008 1.00 0.00 C ATOM 448 O GLU A 30 7.291 -1.907 -15.152 1.00 0.00 O ATOM 449 CB GLU A 30 8.532 0.022 -12.794 1.00 0.00 C ATOM 450 CG GLU A 30 8.912 1.497 -12.584 1.00 0.00 C ATOM 451 CD GLU A 30 9.998 1.934 -13.559 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.167 1.580 -13.287 1.00 0.00 O ATOM 453 OE2 GLU A 30 9.645 2.586 -14.565 1.00 0.00 O ATOM 0 H GLU A 30 6.306 0.774 -11.865 1.00 0.00 H new ATOM 0 HA GLU A 30 7.262 0.467 -14.430 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.473 -0.475 -11.826 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.320 -0.475 -13.360 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.030 2.124 -12.714 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.259 1.643 -11.561 1.00 0.00 H new ATOM 460 N GLU A 31 6.418 -2.446 -13.158 1.00 0.00 N ATOM 461 CA GLU A 31 6.166 -3.834 -13.542 1.00 0.00 C ATOM 462 C GLU A 31 4.943 -3.909 -14.458 1.00 0.00 C ATOM 463 O GLU A 31 4.785 -4.854 -15.229 1.00 0.00 O ATOM 464 CB GLU A 31 6.010 -4.719 -12.298 1.00 0.00 C ATOM 465 CG GLU A 31 7.108 -4.405 -11.268 1.00 0.00 C ATOM 466 CD GLU A 31 7.943 -5.621 -10.836 1.00 0.00 C ATOM 467 OE1 GLU A 31 8.278 -6.426 -11.732 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.218 -5.757 -9.619 1.00 0.00 O ATOM 0 H GLU A 31 6.135 -2.211 -12.207 1.00 0.00 H new ATOM 0 HA GLU A 31 7.022 -4.214 -14.099 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.029 -4.558 -11.852 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.062 -5.770 -12.584 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.776 -3.652 -11.686 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.645 -3.966 -10.384 1.00 0.00 H new ATOM 475 N GLY A 32 4.079 -2.897 -14.360 1.00 0.00 N ATOM 476 CA GLY A 32 2.897 -2.699 -15.189 1.00 0.00 C ATOM 477 C GLY A 32 1.622 -2.721 -14.353 1.00 0.00 C ATOM 478 O GLY A 32 0.527 -2.838 -14.898 1.00 0.00 O ATOM 0 H GLY A 32 4.194 -2.159 -13.665 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.974 -1.747 -15.713 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.849 -3.479 -15.949 1.00 0.00 H new ATOM 482 N ILE A 33 1.752 -2.644 -13.028 1.00 0.00 N ATOM 483 CA ILE A 33 0.626 -2.775 -12.120 1.00 0.00 C ATOM 484 C ILE A 33 -0.156 -1.466 -12.021 1.00 0.00 C ATOM 485 O ILE A 33 0.412 -0.424 -11.712 1.00 0.00 O ATOM 486 CB ILE A 33 1.148 -3.197 -10.743 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.922 -4.509 -10.888 1.00 0.00 C ATOM 488 CG2 ILE A 33 0.000 -3.312 -9.737 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.536 -5.028 -9.595 1.00 0.00 C ATOM 0 H ILE A 33 2.645 -2.489 -12.560 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.057 -3.534 -12.503 1.00 0.00 H new ATOM 0 HB ILE A 33 1.825 -2.437 -10.354 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.251 -5.269 -11.287 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.716 -4.368 -11.621 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.395 -3.613 -8.767 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.499 -2.347 -9.642 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.715 -4.058 -10.085 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.065 -5.961 -9.792 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.236 -4.290 -9.203 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.748 -5.205 -8.863 1.00 0.00 H new ATOM 501 N ASP A 34 -1.476 -1.557 -12.192 1.00 0.00 N ATOM 502 CA ASP A 34 -2.420 -0.511 -11.830 1.00 0.00 C ATOM 503 C ASP A 34 -2.928 -0.787 -10.417 1.00 0.00 C ATOM 504 O ASP A 34 -3.371 -1.899 -10.128 1.00 0.00 O ATOM 505 CB ASP A 34 -3.568 -0.498 -12.846 1.00 0.00 C ATOM 506 CG ASP A 34 -4.536 0.663 -12.630 1.00 0.00 C ATOM 507 OD1 ASP A 34 -4.954 0.866 -11.470 1.00 0.00 O ATOM 508 OD2 ASP A 34 -4.850 1.328 -13.640 1.00 0.00 O ATOM 0 H ASP A 34 -1.923 -2.380 -12.595 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.944 0.469 -11.845 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.155 -0.438 -13.853 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.115 -1.438 -12.781 1.00 0.00 H new ATOM 513 N ILE A 35 -2.837 0.215 -9.541 1.00 0.00 N ATOM 514 CA ILE A 35 -3.523 0.235 -8.264 1.00 0.00 C ATOM 515 C ILE A 35 -4.022 1.662 -8.015 1.00 0.00 C ATOM 516 O ILE A 35 -3.433 2.612 -8.532 1.00 0.00 O ATOM 517 CB ILE A 35 -2.612 -0.271 -7.128 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.230 0.411 -7.084 1.00 0.00 C ATOM 519 CG2 ILE A 35 -2.508 -1.797 -7.174 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.391 -0.019 -5.871 1.00 0.00 C ATOM 0 H ILE A 35 -2.272 1.047 -9.710 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.375 -0.445 -8.285 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.086 0.017 -6.190 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.685 0.176 -7.998 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.364 1.492 -7.062 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.862 -2.142 -6.367 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.500 -2.233 -7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.088 -2.104 -8.132 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.571 0.494 -5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.919 0.240 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.229 -1.096 -5.904 1.00 0.00 H new ATOM 532 N PRO A 36 -5.101 1.832 -7.233 1.00 0.00 N ATOM 533 CA PRO A 36 -5.671 3.131 -6.939 1.00 0.00 C ATOM 534 C PRO A 36 -4.702 3.969 -6.103 1.00 0.00 C ATOM 535 O PRO A 36 -4.726 3.890 -4.879 1.00 0.00 O ATOM 536 CB PRO A 36 -6.992 2.849 -6.211 1.00 0.00 C ATOM 537 CG PRO A 36 -6.786 1.471 -5.595 1.00 0.00 C ATOM 538 CD PRO A 36 -5.908 0.783 -6.636 1.00 0.00 C ATOM 0 HA PRO A 36 -5.854 3.717 -7.839 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.196 3.601 -5.448 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.837 2.856 -6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.297 1.528 -4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.730 0.946 -5.446 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.279 0.021 -6.175 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -6.516 0.281 -7.389 1.00 0.00 H new ATOM 546 N TYR A 37 -3.853 4.758 -6.769 1.00 0.00 N ATOM 547 CA TYR A 37 -2.988 5.741 -6.122 1.00 0.00 C ATOM 548 C TYR A 37 -3.708 7.072 -5.928 1.00 0.00 C ATOM 549 O TYR A 37 -3.625 7.655 -4.859 1.00 0.00 O ATOM 550 CB TYR A 37 -1.721 5.974 -6.953 1.00 0.00 C ATOM 551 CG TYR A 37 -0.862 7.140 -6.474 1.00 0.00 C ATOM 552 CD1 TYR A 37 -0.581 7.298 -5.104 1.00 0.00 C ATOM 553 CD2 TYR A 37 -0.267 8.017 -7.403 1.00 0.00 C ATOM 554 CE1 TYR A 37 0.326 8.279 -4.669 1.00 0.00 C ATOM 555 CE2 TYR A 37 0.656 8.988 -6.969 1.00 0.00 C ATOM 556 CZ TYR A 37 0.958 9.111 -5.601 1.00 0.00 C ATOM 557 OH TYR A 37 1.904 10.002 -5.180 1.00 0.00 O ATOM 0 H TYR A 37 -3.748 4.729 -7.783 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.717 5.341 -5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.119 5.065 -6.939 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -2.008 6.151 -7.990 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.067 6.660 -4.381 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.520 7.944 -8.451 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.536 8.391 -3.616 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.132 9.639 -7.687 1.00 0.00 H new ATOM 0 HH TYR A 37 2.316 10.434 -5.957 1.00 0.00 H new ATOM 567 N SER A 38 -4.349 7.583 -6.982 1.00 0.00 N ATOM 568 CA SER A 38 -4.970 8.904 -6.979 1.00 0.00 C ATOM 569 C SER A 38 -3.971 10.019 -6.622 1.00 0.00 C ATOM 570 O SER A 38 -2.758 9.834 -6.720 1.00 0.00 O ATOM 571 CB SER A 38 -6.168 8.910 -6.015 1.00 0.00 C ATOM 572 OG SER A 38 -7.050 9.980 -6.311 1.00 0.00 O ATOM 0 H SER A 38 -4.451 7.086 -7.867 1.00 0.00 H new ATOM 0 HA SER A 38 -5.319 9.112 -7.990 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.702 7.963 -6.087 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.813 8.999 -4.988 1.00 0.00 H new ATOM 0 HG SER A 38 -7.805 9.964 -5.687 1.00 0.00 H new ATOM 578 N CYS A 39 -4.535 11.170 -6.233 1.00 0.00 N ATOM 579 CA CYS A 39 -3.916 12.327 -5.596 1.00 0.00 C ATOM 580 C CYS A 39 -2.466 12.589 -6.078 1.00 0.00 C ATOM 581 O CYS A 39 -2.193 12.550 -7.278 1.00 0.00 O ATOM 582 CB CYS A 39 -4.010 12.171 -4.090 1.00 0.00 C ATOM 583 SG CYS A 39 -5.334 11.239 -3.250 1.00 0.00 S ATOM 0 H CYS A 39 -5.534 11.323 -6.373 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.466 13.218 -5.897 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.070 11.723 -3.770 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.038 13.180 -3.679 1.00 0.00 H new ATOM 588 N ARG A 40 -1.549 12.885 -5.143 1.00 0.00 N ATOM 589 CA ARG A 40 -0.106 12.711 -5.222 1.00 0.00 C ATOM 590 C ARG A 40 0.504 13.218 -3.910 1.00 0.00 C ATOM 591 O ARG A 40 0.122 14.287 -3.443 1.00 0.00 O ATOM 592 CB ARG A 40 0.508 13.402 -6.454 1.00 0.00 C ATOM 593 CG ARG A 40 2.035 13.550 -6.360 1.00 0.00 C ATOM 594 CD ARG A 40 2.622 14.036 -7.690 1.00 0.00 C ATOM 595 NE ARG A 40 4.009 14.498 -7.515 1.00 0.00 N ATOM 596 CZ ARG A 40 4.715 15.164 -8.444 1.00 0.00 C ATOM 597 NH1 ARG A 40 4.213 15.314 -9.675 1.00 0.00 N ATOM 598 NH2 ARG A 40 5.910 15.681 -8.137 1.00 0.00 N ATOM 0 H ARG A 40 -1.828 13.282 -4.246 1.00 0.00 H new ATOM 0 HA ARG A 40 0.123 11.653 -5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.258 12.829 -7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.059 14.388 -6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.288 14.255 -5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.481 12.593 -6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.593 13.228 -8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.012 14.847 -8.087 1.00 0.00 H new ATOM 0 HE ARG A 40 4.466 14.298 -6.625 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.299 14.924 -9.904 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.744 15.819 -10.384 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.287 15.570 -7.196 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.444 16.186 -8.844 1.00 0.00 H new ATOM 612 N ALA A 41 1.485 12.489 -3.360 1.00 0.00 N ATOM 613 CA ALA A 41 2.318 12.925 -2.237 1.00 0.00 C ATOM 614 C ALA A 41 1.580 12.982 -0.892 1.00 0.00 C ATOM 615 O ALA A 41 1.192 14.061 -0.454 1.00 0.00 O ATOM 616 CB ALA A 41 3.049 14.240 -2.549 1.00 0.00 C ATOM 0 H ALA A 41 1.725 11.556 -3.695 1.00 0.00 H new ATOM 0 HA ALA A 41 3.070 12.145 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.657 14.531 -1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.691 14.102 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.319 15.022 -2.758 1.00 0.00 H new ATOM 622 N GLY A 42 1.486 11.821 -0.226 1.00 0.00 N ATOM 623 CA GLY A 42 1.017 11.586 1.144 1.00 0.00 C ATOM 624 C GLY A 42 0.753 12.834 1.989 1.00 0.00 C ATOM 625 O GLY A 42 1.588 13.232 2.798 1.00 0.00 O ATOM 0 H GLY A 42 1.761 10.947 -0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.097 11.003 1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.756 10.973 1.659 1.00 0.00 H new ATOM 629 N SER A 43 -0.419 13.442 1.800 1.00 0.00 N ATOM 630 CA SER A 43 -0.869 14.664 2.454 1.00 0.00 C ATOM 631 C SER A 43 -2.351 14.856 2.097 1.00 0.00 C ATOM 632 O SER A 43 -2.787 15.952 1.747 1.00 0.00 O ATOM 633 CB SER A 43 -0.006 15.846 1.980 1.00 0.00 C ATOM 634 OG SER A 43 -0.107 16.942 2.872 1.00 0.00 O ATOM 0 H SER A 43 -1.114 13.073 1.151 1.00 0.00 H new ATOM 0 HA SER A 43 -0.765 14.604 3.537 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.035 15.532 1.902 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.322 16.154 0.983 1.00 0.00 H new ATOM 0 HG SER A 43 0.452 17.679 2.549 1.00 0.00 H new ATOM 640 N CYS A 44 -3.104 13.756 2.126 1.00 0.00 N ATOM 641 CA CYS A 44 -4.381 13.595 1.451 1.00 0.00 C ATOM 642 C CYS A 44 -5.104 12.411 2.091 1.00 0.00 C ATOM 643 O CYS A 44 -4.527 11.724 2.935 1.00 0.00 O ATOM 644 CB CYS A 44 -4.146 13.416 -0.033 1.00 0.00 C ATOM 645 SG CYS A 44 -2.778 12.317 -0.517 1.00 0.00 S ATOM 0 H CYS A 44 -2.825 12.922 2.643 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.013 14.476 1.561 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.064 13.033 -0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.964 14.398 -0.470 1.00 0.00 H new ATOM 650 N SER A 45 -6.393 12.231 1.783 1.00 0.00 N ATOM 651 CA SER A 45 -7.265 11.310 2.504 1.00 0.00 C ATOM 652 C SER A 45 -8.211 10.578 1.553 1.00 0.00 C ATOM 653 O SER A 45 -9.313 11.053 1.285 1.00 0.00 O ATOM 654 CB SER A 45 -8.029 12.075 3.591 1.00 0.00 C ATOM 655 OG SER A 45 -7.117 12.774 4.421 1.00 0.00 O ATOM 0 H SER A 45 -6.859 12.725 1.022 1.00 0.00 H new ATOM 0 HA SER A 45 -6.654 10.545 2.983 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.727 12.775 3.132 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.620 11.381 4.189 1.00 0.00 H new ATOM 0 HG SER A 45 -7.612 13.262 5.112 1.00 0.00 H new ATOM 661 N SER A 46 -7.780 9.417 1.064 1.00 0.00 N ATOM 662 CA SER A 46 -8.517 8.488 0.220 1.00 0.00 C ATOM 663 C SER A 46 -7.666 7.213 0.165 1.00 0.00 C ATOM 664 O SER A 46 -6.869 7.017 1.073 1.00 0.00 O ATOM 665 CB SER A 46 -8.767 9.104 -1.166 1.00 0.00 C ATOM 666 OG SER A 46 -9.607 8.269 -1.944 1.00 0.00 O ATOM 0 H SER A 46 -6.838 9.080 1.264 1.00 0.00 H new ATOM 0 HA SER A 46 -9.507 8.259 0.614 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.226 10.087 -1.055 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.817 9.252 -1.680 1.00 0.00 H new ATOM 0 HG SER A 46 -9.755 8.680 -2.821 1.00 0.00 H new ATOM 672 N CYS A 47 -7.839 6.388 -0.871 1.00 0.00 N ATOM 673 CA CYS A 47 -6.932 5.333 -1.334 1.00 0.00 C ATOM 674 C CYS A 47 -6.088 4.595 -0.265 1.00 0.00 C ATOM 675 O CYS A 47 -5.186 5.142 0.359 1.00 0.00 O ATOM 676 CB CYS A 47 -6.174 5.806 -2.559 1.00 0.00 C ATOM 677 SG CYS A 47 -5.837 7.584 -2.779 1.00 0.00 S ATOM 0 H CYS A 47 -8.677 6.443 -1.450 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.571 4.501 -1.631 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.215 5.289 -2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.727 5.468 -3.435 1.00 0.00 H new ATOM 682 N ALA A 48 -6.387 3.305 -0.046 1.00 0.00 N ATOM 683 CA ALA A 48 -5.792 2.493 1.015 1.00 0.00 C ATOM 684 C ALA A 48 -5.772 1.017 0.628 1.00 0.00 C ATOM 685 O ALA A 48 -6.365 0.620 -0.381 1.00 0.00 O ATOM 686 CB ALA A 48 -6.577 2.719 2.306 1.00 0.00 C ATOM 0 H ALA A 48 -7.062 2.792 -0.614 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.756 2.795 1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.143 2.119 3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.533 3.773 2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.616 2.426 2.156 1.00 0.00 H new ATOM 692 N GLY A 49 -5.110 0.207 1.462 1.00 0.00 N ATOM 693 CA GLY A 49 -5.030 -1.237 1.363 1.00 0.00 C ATOM 694 C GLY A 49 -5.063 -1.884 2.749 1.00 0.00 C ATOM 695 O GLY A 49 -4.899 -1.186 3.746 1.00 0.00 O ATOM 0 H GLY A 49 -4.592 0.570 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.860 -1.611 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.112 -1.520 0.848 1.00 0.00 H new ATOM 699 N LYS A 50 -5.283 -3.203 2.816 1.00 0.00 N ATOM 700 CA LYS A 50 -5.376 -4.008 4.020 1.00 0.00 C ATOM 701 C LYS A 50 -4.086 -4.799 4.248 1.00 0.00 C ATOM 702 O LYS A 50 -3.808 -5.719 3.489 1.00 0.00 O ATOM 703 CB LYS A 50 -6.578 -4.947 3.868 1.00 0.00 C ATOM 704 CG LYS A 50 -7.231 -5.247 5.217 1.00 0.00 C ATOM 705 CD LYS A 50 -8.675 -5.683 4.978 1.00 0.00 C ATOM 706 CE LYS A 50 -9.475 -5.524 6.278 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.930 -5.500 6.018 1.00 0.00 N ATOM 0 H LYS A 50 -5.407 -3.763 1.972 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.513 -3.366 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.312 -4.495 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.256 -5.879 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.681 -6.032 5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.204 -4.363 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.122 -5.082 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.703 -6.720 4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.239 -6.345 6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.178 -4.602 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.347 -4.654 6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.099 -5.478 4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.369 -6.351 6.423 1.00 0.00 H new ATOM 721 N VAL A 51 -3.291 -4.465 5.264 1.00 0.00 N ATOM 722 CA VAL A 51 -2.109 -5.230 5.641 1.00 0.00 C ATOM 723 C VAL A 51 -2.534 -6.645 6.032 1.00 0.00 C ATOM 724 O VAL A 51 -3.215 -6.831 7.038 1.00 0.00 O ATOM 725 CB VAL A 51 -1.385 -4.549 6.823 1.00 0.00 C ATOM 726 CG1 VAL A 51 -0.102 -5.293 7.216 1.00 0.00 C ATOM 727 CG2 VAL A 51 -1.017 -3.096 6.518 1.00 0.00 C ATOM 0 H VAL A 51 -3.453 -3.648 5.852 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.422 -5.274 4.796 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.095 -4.577 7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.375 -4.780 8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.349 -6.313 7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.580 -5.315 6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.510 -2.661 7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.355 -3.062 5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.923 -2.528 6.305 1.00 0.00 H new ATOM 737 N VAL A 52 -2.116 -7.643 5.253 1.00 0.00 N ATOM 738 CA VAL A 52 -2.326 -9.046 5.584 1.00 0.00 C ATOM 739 C VAL A 52 -1.167 -9.545 6.445 1.00 0.00 C ATOM 740 O VAL A 52 -1.385 -10.256 7.423 1.00 0.00 O ATOM 741 CB VAL A 52 -2.449 -9.858 4.291 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.633 -11.359 4.558 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.620 -9.345 3.452 1.00 0.00 C ATOM 0 H VAL A 52 -1.621 -7.497 4.373 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.248 -9.165 6.153 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.514 -9.728 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.715 -11.890 3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.775 -11.738 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.540 -11.516 5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.696 -9.931 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.545 -9.440 4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.456 -8.297 3.200 1.00 0.00 H new ATOM 753 N SER A 53 0.072 -9.211 6.068 1.00 0.00 N ATOM 754 CA SER A 53 1.264 -9.629 6.795 1.00 0.00 C ATOM 755 C SER A 53 2.434 -8.736 6.400 1.00 0.00 C ATOM 756 O SER A 53 2.291 -7.888 5.520 1.00 0.00 O ATOM 757 CB SER A 53 1.582 -11.101 6.500 1.00 0.00 C ATOM 758 OG SER A 53 2.622 -11.552 7.351 1.00 0.00 O ATOM 0 H SER A 53 0.271 -8.641 5.246 1.00 0.00 H new ATOM 0 HA SER A 53 1.087 -9.532 7.866 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.691 -11.711 6.647 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.878 -11.216 5.457 1.00 0.00 H new ATOM 0 HG SER A 53 2.818 -12.493 7.158 1.00 0.00 H new ATOM 764 N GLY A 54 3.591 -8.962 7.019 1.00 0.00 N ATOM 765 CA GLY A 54 4.744 -8.078 6.931 1.00 0.00 C ATOM 766 C GLY A 54 4.474 -6.759 7.654 1.00 0.00 C ATOM 767 O GLY A 54 3.469 -6.621 8.353 1.00 0.00 O ATOM 0 H GLY A 54 3.753 -9.780 7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.616 -8.565 7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.979 -7.883 5.885 1.00 0.00 H new ATOM 771 N SER A 55 5.356 -5.778 7.452 1.00 0.00 N ATOM 772 CA SER A 55 5.199 -4.419 7.937 1.00 0.00 C ATOM 773 C SER A 55 5.756 -3.511 6.848 1.00 0.00 C ATOM 774 O SER A 55 6.656 -3.937 6.126 1.00 0.00 O ATOM 775 CB SER A 55 6.002 -4.213 9.225 1.00 0.00 C ATOM 776 OG SER A 55 5.870 -5.316 10.104 1.00 0.00 O ATOM 0 H SER A 55 6.221 -5.918 6.931 1.00 0.00 H new ATOM 0 HA SER A 55 4.153 -4.203 8.155 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.054 -4.067 8.979 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.662 -3.306 9.725 1.00 0.00 H new ATOM 0 HG SER A 55 6.396 -5.153 10.915 1.00 0.00 H new ATOM 782 N ILE A 56 5.241 -2.284 6.739 1.00 0.00 N ATOM 783 CA ILE A 56 5.739 -1.258 5.849 1.00 0.00 C ATOM 784 C ILE A 56 5.628 0.073 6.586 1.00 0.00 C ATOM 785 O ILE A 56 4.833 0.181 7.522 1.00 0.00 O ATOM 786 CB ILE A 56 4.952 -1.270 4.531 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.468 -0.904 4.658 1.00 0.00 C ATOM 788 CG2 ILE A 56 5.048 -2.637 3.857 1.00 0.00 C ATOM 789 CD1 ILE A 56 2.825 -0.944 3.261 1.00 0.00 C ATOM 0 H ILE A 56 4.440 -1.977 7.290 1.00 0.00 H new ATOM 0 HA ILE A 56 6.781 -1.432 5.580 1.00 0.00 H new ATOM 0 HB ILE A 56 5.423 -0.491 3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.963 -1.602 5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.360 0.089 5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.483 -2.624 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.092 -2.866 3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.637 -3.399 4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.769 -0.685 3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.327 -0.229 2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.923 -1.946 2.844 1.00 0.00 H new ATOM 801 N ASP A 57 6.423 1.063 6.185 1.00 0.00 N ATOM 802 CA ASP A 57 6.457 2.379 6.798 1.00 0.00 C ATOM 803 C ASP A 57 5.629 3.314 5.931 1.00 0.00 C ATOM 804 O ASP A 57 6.043 3.665 4.827 1.00 0.00 O ATOM 805 CB ASP A 57 7.908 2.862 6.918 1.00 0.00 C ATOM 806 CG ASP A 57 7.996 4.308 7.390 1.00 0.00 C ATOM 807 OD1 ASP A 57 6.944 4.857 7.790 1.00 0.00 O ATOM 808 OD2 ASP A 57 9.117 4.852 7.357 1.00 0.00 O ATOM 0 H ASP A 57 7.075 0.965 5.406 1.00 0.00 H new ATOM 0 HA ASP A 57 6.041 2.353 7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.446 2.220 7.616 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.402 2.766 5.951 1.00 0.00 H new ATOM 813 N GLN A 58 4.450 3.693 6.426 1.00 0.00 N ATOM 814 CA GLN A 58 3.623 4.725 5.832 1.00 0.00 C ATOM 815 C GLN A 58 3.676 6.022 6.645 1.00 0.00 C ATOM 816 O GLN A 58 2.651 6.682 6.786 1.00 0.00 O ATOM 817 CB GLN A 58 2.198 4.181 5.690 1.00 0.00 C ATOM 818 CG GLN A 58 1.718 3.595 7.015 1.00 0.00 C ATOM 819 CD GLN A 58 0.211 3.446 7.068 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.545 4.004 6.279 1.00 0.00 O ATOM 821 NE2 GLN A 58 -0.240 2.606 7.978 1.00 0.00 N ATOM 0 H GLN A 58 4.043 3.280 7.265 1.00 0.00 H new ATOM 0 HA GLN A 58 4.002 4.982 4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.527 4.980 5.374 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.170 3.415 4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.182 2.621 7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.046 4.236 7.833 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.410 2.155 8.622 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.239 2.407 8.038 1.00 0.00 H new ATOM 830 N SER A 59 4.840 6.425 7.167 1.00 0.00 N ATOM 831 CA SER A 59 4.976 7.712 7.848 1.00 0.00 C ATOM 832 C SER A 59 4.375 8.855 7.020 1.00 0.00 C ATOM 833 O SER A 59 3.694 9.722 7.566 1.00 0.00 O ATOM 834 CB SER A 59 6.443 8.002 8.181 1.00 0.00 C ATOM 835 OG SER A 59 6.901 7.098 9.165 1.00 0.00 O ATOM 0 H SER A 59 5.699 5.877 7.130 1.00 0.00 H new ATOM 0 HA SER A 59 4.416 7.648 8.781 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.053 7.914 7.282 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.548 9.026 8.539 1.00 0.00 H new ATOM 0 HG SER A 59 7.236 6.285 8.732 1.00 0.00 H new ATOM 841 N ASP A 60 4.558 8.815 5.696 1.00 0.00 N ATOM 842 CA ASP A 60 3.985 9.769 4.751 1.00 0.00 C ATOM 843 C ASP A 60 2.492 9.466 4.524 1.00 0.00 C ATOM 844 O ASP A 60 2.040 9.352 3.388 1.00 0.00 O ATOM 845 CB ASP A 60 4.766 9.719 3.423 1.00 0.00 C ATOM 846 CG ASP A 60 6.196 10.240 3.490 1.00 0.00 C ATOM 847 OD1 ASP A 60 6.439 11.179 4.276 1.00 0.00 O ATOM 848 OD2 ASP A 60 7.018 9.703 2.714 1.00 0.00 O ATOM 0 H ASP A 60 5.125 8.097 5.244 1.00 0.00 H new ATOM 0 HA ASP A 60 4.065 10.775 5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.789 8.687 3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.220 10.297 2.677 1.00 0.00 H new ATOM 853 N GLN A 61 1.723 9.329 5.607 1.00 0.00 N ATOM 854 CA GLN A 61 0.282 9.137 5.592 1.00 0.00 C ATOM 855 C GLN A 61 -0.459 10.439 5.871 1.00 0.00 C ATOM 856 O GLN A 61 -1.203 10.921 5.021 1.00 0.00 O ATOM 857 CB GLN A 61 -0.133 7.991 6.534 1.00 0.00 C ATOM 858 CG GLN A 61 0.313 8.134 8.006 1.00 0.00 C ATOM 859 CD GLN A 61 0.315 6.795 8.735 1.00 0.00 C ATOM 860 OE1 GLN A 61 1.245 6.458 9.460 1.00 0.00 O ATOM 861 NE2 GLN A 61 -0.746 6.023 8.556 1.00 0.00 N ATOM 0 H GLN A 61 2.108 9.350 6.551 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.012 8.834 4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.219 7.902 6.510 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.272 7.058 6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.312 8.568 8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.353 8.826 8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.504 6.331 7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.805 5.121 9.028 1.00 0.00 H new ATOM 870 N SER A 62 -0.306 10.974 7.086 1.00 0.00 N ATOM 871 CA SER A 62 -1.129 12.063 7.598 1.00 0.00 C ATOM 872 C SER A 62 -2.614 11.842 7.283 1.00 0.00 C ATOM 873 O SER A 62 -3.300 12.768 6.856 1.00 0.00 O ATOM 874 CB SER A 62 -0.611 13.396 7.048 1.00 0.00 C ATOM 875 OG SER A 62 0.749 13.565 7.409 1.00 0.00 O ATOM 0 H SER A 62 0.403 10.656 7.747 1.00 0.00 H new ATOM 0 HA SER A 62 -1.051 12.088 8.685 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.715 13.418 5.963 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.207 14.219 7.442 1.00 0.00 H new ATOM 0 HG SER A 62 1.078 14.417 7.055 1.00 0.00 H new ATOM 881 N PHE A 63 -3.103 10.614 7.498 1.00 0.00 N ATOM 882 CA PHE A 63 -4.480 10.247 7.202 1.00 0.00 C ATOM 883 C PHE A 63 -4.935 9.073 8.065 1.00 0.00 C ATOM 884 O PHE A 63 -5.762 9.288 8.946 1.00 0.00 O ATOM 885 CB PHE A 63 -4.658 9.978 5.704 1.00 0.00 C ATOM 886 CG PHE A 63 -5.954 9.296 5.301 1.00 0.00 C ATOM 887 CD1 PHE A 63 -7.176 9.585 5.945 1.00 0.00 C ATOM 888 CD2 PHE A 63 -5.918 8.312 4.299 1.00 0.00 C ATOM 889 CE1 PHE A 63 -8.337 8.868 5.611 1.00 0.00 C ATOM 890 CE2 PHE A 63 -7.057 7.544 4.031 1.00 0.00 C ATOM 891 CZ PHE A 63 -8.278 7.848 4.650 1.00 0.00 C ATOM 0 H PHE A 63 -2.548 9.850 7.883 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.126 11.088 7.456 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.590 10.928 5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.825 9.362 5.364 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.219 10.359 6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.011 8.148 3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.274 9.102 6.094 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.995 6.713 3.344 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.170 7.299 4.388 1.00 0.00 H new ATOM 901 N LEU A 64 -4.453 7.847 7.807 1.00 0.00 N ATOM 902 CA LEU A 64 -5.055 6.689 8.449 1.00 0.00 C ATOM 903 C LEU A 64 -4.939 6.794 9.962 1.00 0.00 C ATOM 904 O LEU A 64 -3.925 7.271 10.474 1.00 0.00 O ATOM 905 CB LEU A 64 -4.456 5.349 7.995 1.00 0.00 C ATOM 906 CG LEU A 64 -4.919 4.899 6.603 1.00 0.00 C ATOM 907 CD1 LEU A 64 -4.084 5.527 5.488 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.777 3.378 6.533 1.00 0.00 C ATOM 0 H LEU A 64 -3.675 7.644 7.179 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.101 6.697 8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.369 5.429 7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.720 4.580 8.721 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.951 5.218 6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.448 5.180 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.167 6.613 5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.040 5.237 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.099 3.027 5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.735 3.102 6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.396 2.919 7.304 1.00 0.00 H new ATOM 920 N ASP A 65 -5.968 6.324 10.661 1.00 0.00 N ATOM 921 CA ASP A 65 -6.012 6.361 12.109 1.00 0.00 C ATOM 922 C ASP A 65 -5.358 5.111 12.685 1.00 0.00 C ATOM 923 O ASP A 65 -5.178 4.105 11.993 1.00 0.00 O ATOM 924 CB ASP A 65 -7.461 6.475 12.594 1.00 0.00 C ATOM 925 CG ASP A 65 -8.252 7.531 11.837 1.00 0.00 C ATOM 926 OD1 ASP A 65 -8.710 7.181 10.726 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.370 8.655 12.370 1.00 0.00 O ATOM 0 H ASP A 65 -6.794 5.907 10.233 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.461 7.236 12.454 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.954 5.509 12.483 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.466 6.716 13.657 1.00 0.00 H new ATOM 932 N ASP A 66 -5.051 5.163 13.984 1.00 0.00 N ATOM 933 CA ASP A 66 -4.508 4.046 14.740 1.00 0.00 C ATOM 934 C ASP A 66 -5.423 2.848 14.556 1.00 0.00 C ATOM 935 O ASP A 66 -4.957 1.735 14.329 1.00 0.00 O ATOM 936 CB ASP A 66 -4.413 4.409 16.228 1.00 0.00 C ATOM 937 CG ASP A 66 -3.348 5.462 16.492 1.00 0.00 C ATOM 938 OD1 ASP A 66 -3.614 6.625 16.120 1.00 0.00 O ATOM 939 OD2 ASP A 66 -2.298 5.087 17.055 1.00 0.00 O ATOM 0 H ASP A 66 -5.178 6.005 14.546 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.507 3.809 14.380 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.379 4.776 16.574 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.187 3.513 16.806 1.00 0.00 H new ATOM 944 N GLU A 67 -6.733 3.103 14.627 1.00 0.00 N ATOM 945 CA GLU A 67 -7.764 2.102 14.461 1.00 0.00 C ATOM 946 C GLU A 67 -7.530 1.346 13.164 1.00 0.00 C ATOM 947 O GLU A 67 -7.309 0.145 13.182 1.00 0.00 O ATOM 948 CB GLU A 67 -9.159 2.744 14.470 1.00 0.00 C ATOM 949 CG GLU A 67 -9.249 4.040 15.274 1.00 0.00 C ATOM 950 CD GLU A 67 -10.693 4.332 15.662 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.125 3.768 16.691 1.00 0.00 O ATOM 952 OE2 GLU A 67 -11.347 5.083 14.910 1.00 0.00 O ATOM 0 H GLU A 67 -7.103 4.036 14.806 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.717 1.404 15.297 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.460 2.946 13.442 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.873 2.028 14.876 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.635 3.961 16.171 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.850 4.867 14.686 1.00 0.00 H new ATOM 959 N GLN A 68 -7.571 2.054 12.034 1.00 0.00 N ATOM 960 CA GLN A 68 -7.353 1.472 10.726 1.00 0.00 C ATOM 961 C GLN A 68 -6.042 0.679 10.680 1.00 0.00 C ATOM 962 O GLN A 68 -6.034 -0.482 10.272 1.00 0.00 O ATOM 963 CB GLN A 68 -7.378 2.578 9.678 1.00 0.00 C ATOM 964 CG GLN A 68 -8.764 3.211 9.604 1.00 0.00 C ATOM 965 CD GLN A 68 -8.747 4.461 8.755 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.692 4.993 8.430 1.00 0.00 O ATOM 967 NE2 GLN A 68 -9.918 4.907 8.344 1.00 0.00 N ATOM 0 H GLN A 68 -7.759 3.056 12.010 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.152 0.763 10.511 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.637 3.338 9.925 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.105 2.171 8.704 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.472 2.495 9.188 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.110 3.455 10.609 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.774 4.436 8.637 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.967 5.723 7.733 1.00 0.00 H new ATOM 976 N MET A 69 -4.926 1.289 11.086 1.00 0.00 N ATOM 977 CA MET A 69 -3.650 0.590 11.102 1.00 0.00 C ATOM 978 C MET A 69 -3.751 -0.738 11.864 1.00 0.00 C ATOM 979 O MET A 69 -3.546 -1.802 11.278 1.00 0.00 O ATOM 980 CB MET A 69 -2.564 1.504 11.664 1.00 0.00 C ATOM 981 CG MET A 69 -2.348 2.723 10.766 1.00 0.00 C ATOM 982 SD MET A 69 -0.896 3.713 11.197 1.00 0.00 S ATOM 983 CE MET A 69 -1.722 5.274 11.539 1.00 0.00 C ATOM 0 H MET A 69 -4.885 2.257 11.404 1.00 0.00 H new ATOM 0 HA MET A 69 -3.373 0.334 10.079 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.843 1.832 12.665 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.631 0.949 11.759 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.252 2.387 9.733 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.233 3.357 10.814 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.976 6.052 11.704 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.350 5.547 10.691 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.341 5.170 12.430 1.00 0.00 H new ATOM 993 N ASP A 70 -4.115 -0.676 13.147 1.00 0.00 N ATOM 994 CA ASP A 70 -4.240 -1.828 14.039 1.00 0.00 C ATOM 995 C ASP A 70 -5.180 -2.874 13.441 1.00 0.00 C ATOM 996 O ASP A 70 -4.897 -4.070 13.418 1.00 0.00 O ATOM 997 CB ASP A 70 -4.791 -1.352 15.388 1.00 0.00 C ATOM 998 CG ASP A 70 -4.841 -2.503 16.382 1.00 0.00 C ATOM 999 OD1 ASP A 70 -3.766 -2.818 16.937 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -5.951 -3.048 16.564 1.00 0.00 O ATOM 0 H ASP A 70 -4.338 0.207 13.607 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.259 -2.284 14.173 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.164 -0.552 15.781 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.790 -0.937 15.253 1.00 0.00 H new ATOM 1005 N ALA A 71 -6.297 -2.379 12.910 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.362 -3.155 12.297 1.00 0.00 C ATOM 1007 C ALA A 71 -6.871 -3.920 11.069 1.00 0.00 C ATOM 1008 O ALA A 71 -7.511 -4.887 10.658 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.501 -2.212 11.915 1.00 0.00 C ATOM 0 H ALA A 71 -6.488 -1.377 12.897 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.713 -3.895 13.016 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.307 -2.783 11.454 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.875 -1.713 12.809 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.135 -1.466 11.210 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.757 -3.487 10.475 1.00 0.00 N ATOM 1016 CA GLY A 72 -5.095 -4.192 9.400 1.00 0.00 C ATOM 1017 C GLY A 72 -5.097 -3.371 8.124 1.00 0.00 C ATOM 1018 O GLY A 72 -5.174 -3.966 7.060 1.00 0.00 O ATOM 0 H GLY A 72 -5.289 -2.620 10.740 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.069 -4.419 9.688 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.595 -5.144 9.224 1.00 0.00 H new ATOM 1022 N TYR A 73 -5.027 -2.036 8.188 1.00 0.00 N ATOM 1023 CA TYR A 73 -5.046 -1.174 7.006 1.00 0.00 C ATOM 1024 C TYR A 73 -3.774 -0.346 6.850 1.00 0.00 C ATOM 1025 O TYR A 73 -2.969 -0.246 7.773 1.00 0.00 O ATOM 1026 CB TYR A 73 -6.284 -0.292 7.023 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.559 -1.095 6.913 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.955 -1.584 5.657 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.420 -1.224 8.015 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -9.243 -2.108 5.485 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.702 -1.765 7.845 1.00 0.00 C ATOM 1032 CZ TYR A 73 -10.136 -2.158 6.571 1.00 0.00 C ATOM 1033 OH TYR A 73 -11.323 -2.818 6.451 1.00 0.00 O ATOM 0 H TYR A 73 -4.955 -1.523 9.067 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.085 -1.825 6.132 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.301 0.289 7.945 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.232 0.419 6.199 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.267 -1.556 4.825 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.094 -0.906 8.994 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.551 -2.474 4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.356 -1.879 8.697 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.470 -3.059 5.512 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.577 0.242 5.666 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.381 0.988 5.336 1.00 0.00 C ATOM 1045 C VAL A 74 -2.664 1.879 4.134 1.00 0.00 C ATOM 1046 O VAL A 74 -3.478 1.530 3.283 1.00 0.00 O ATOM 1047 CB VAL A 74 -1.223 0.015 5.077 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -1.519 -1.005 3.970 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.073 0.749 4.750 1.00 0.00 C ATOM 0 H VAL A 74 -4.258 0.207 4.907 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.088 1.630 6.167 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.104 -0.534 6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.658 -1.661 3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.390 -1.600 4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.720 -0.480 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.867 0.024 4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.069 1.357 3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.348 1.392 5.586 1.00 0.00 H new ATOM 1059 N LEU A 75 -1.981 3.020 4.061 1.00 0.00 N ATOM 1060 CA LEU A 75 -2.074 3.951 2.952 1.00 0.00 C ATOM 1061 C LEU A 75 -1.712 3.251 1.641 1.00 0.00 C ATOM 1062 O LEU A 75 -2.452 3.303 0.669 1.00 0.00 O ATOM 1063 CB LEU A 75 -1.133 5.131 3.245 1.00 0.00 C ATOM 1064 CG LEU A 75 -1.286 6.291 2.259 1.00 0.00 C ATOM 1065 CD1 LEU A 75 -2.640 6.996 2.405 1.00 0.00 C ATOM 1066 CD2 LEU A 75 -0.158 7.309 2.471 1.00 0.00 C ATOM 0 H LEU A 75 -1.335 3.324 4.790 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.093 4.321 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.323 5.495 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.102 4.778 3.222 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.231 5.873 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.705 7.812 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.443 6.283 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.736 7.394 3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.273 8.132 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.203 7.695 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.805 6.824 2.309 1.00 0.00 H new ATOM 1078 N THR A 76 -0.552 2.591 1.600 1.00 0.00 N ATOM 1079 CA THR A 76 0.048 2.042 0.384 1.00 0.00 C ATOM 1080 C THR A 76 0.616 3.175 -0.483 1.00 0.00 C ATOM 1081 O THR A 76 1.810 3.148 -0.786 1.00 0.00 O ATOM 1082 CB THR A 76 -0.905 1.099 -0.379 1.00 0.00 C ATOM 1083 OG1 THR A 76 -1.463 0.173 0.534 1.00 0.00 O ATOM 1084 CG2 THR A 76 -0.165 0.293 -1.449 1.00 0.00 C ATOM 0 H THR A 76 0.010 2.420 2.434 1.00 0.00 H new ATOM 0 HA THR A 76 0.884 1.405 0.674 1.00 0.00 H new ATOM 0 HB THR A 76 -1.669 1.714 -0.855 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.072 -0.430 0.058 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.869 -0.360 -1.965 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.291 0.974 -2.167 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.611 -0.311 -0.978 1.00 0.00 H new ATOM 1092 N CYS A 77 -0.226 4.162 -0.825 1.00 0.00 N ATOM 1093 CA CYS A 77 0.046 5.305 -1.699 1.00 0.00 C ATOM 1094 C CYS A 77 1.508 5.744 -1.620 1.00 0.00 C ATOM 1095 O CYS A 77 2.258 5.646 -2.587 1.00 0.00 O ATOM 1096 CB CYS A 77 -0.877 6.476 -1.394 1.00 0.00 C ATOM 1097 SG CYS A 77 -2.623 6.104 -1.068 1.00 0.00 S ATOM 0 H CYS A 77 -1.182 4.180 -0.471 1.00 0.00 H new ATOM 0 HA CYS A 77 -0.151 4.973 -2.718 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.478 7.002 -0.527 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -0.832 7.168 -2.235 1.00 0.00 H new ATOM 1102 N HIS A 78 1.905 6.191 -0.430 1.00 0.00 N ATOM 1103 CA HIS A 78 3.261 6.557 -0.062 1.00 0.00 C ATOM 1104 C HIS A 78 3.689 5.684 1.126 1.00 0.00 C ATOM 1105 O HIS A 78 4.000 6.185 2.204 1.00 0.00 O ATOM 1106 CB HIS A 78 3.333 8.067 0.243 1.00 0.00 C ATOM 1107 CG HIS A 78 3.821 8.943 -0.884 1.00 0.00 C ATOM 1108 ND1 HIS A 78 4.763 9.937 -0.745 1.00 0.00 N ATOM 1109 CD2 HIS A 78 3.488 8.869 -2.211 1.00 0.00 C ATOM 1110 CE1 HIS A 78 5.001 10.442 -1.966 1.00 0.00 C ATOM 1111 NE2 HIS A 78 4.240 9.835 -2.891 1.00 0.00 N ATOM 0 H HIS A 78 1.249 6.312 0.342 1.00 0.00 H new ATOM 0 HA HIS A 78 3.956 6.376 -0.882 1.00 0.00 H new ATOM 0 HB2 HIS A 78 2.340 8.406 0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.988 8.214 1.102 1.00 0.00 H new ATOM 0 HD2 HIS A 78 2.775 8.189 -2.653 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.709 11.230 -2.176 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.215 10.037 -3.890 1.00 0.00 H new ATOM 1119 N ALA A 79 3.705 4.361 0.935 1.00 0.00 N ATOM 1120 CA ALA A 79 4.251 3.429 1.918 1.00 0.00 C ATOM 1121 C ALA A 79 5.532 2.797 1.379 1.00 0.00 C ATOM 1122 O ALA A 79 5.580 2.432 0.207 1.00 0.00 O ATOM 1123 CB ALA A 79 3.210 2.365 2.258 1.00 0.00 C ATOM 0 H ALA A 79 3.340 3.910 0.096 1.00 0.00 H new ATOM 0 HA ALA A 79 4.498 3.967 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.623 1.673 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.322 2.844 2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.941 1.818 1.355 1.00 0.00 H new ATOM 1129 N TYR A 80 6.551 2.656 2.230 1.00 0.00 N ATOM 1130 CA TYR A 80 7.832 2.028 1.914 1.00 0.00 C ATOM 1131 C TYR A 80 7.854 0.605 2.478 1.00 0.00 C ATOM 1132 O TYR A 80 7.630 0.431 3.679 1.00 0.00 O ATOM 1133 CB TYR A 80 8.953 2.815 2.584 1.00 0.00 C ATOM 1134 CG TYR A 80 9.153 4.195 2.010 1.00 0.00 C ATOM 1135 CD1 TYR A 80 9.894 4.344 0.828 1.00 0.00 C ATOM 1136 CD2 TYR A 80 8.583 5.319 2.632 1.00 0.00 C ATOM 1137 CE1 TYR A 80 10.097 5.621 0.286 1.00 0.00 C ATOM 1138 CE2 TYR A 80 8.817 6.601 2.106 1.00 0.00 C ATOM 1139 CZ TYR A 80 9.605 6.754 0.953 1.00 0.00 C ATOM 1140 OH TYR A 80 9.854 7.997 0.451 1.00 0.00 O ATOM 0 H TYR A 80 6.503 2.989 3.193 1.00 0.00 H new ATOM 0 HA TYR A 80 7.966 2.011 0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.737 2.902 3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.883 2.255 2.492 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.308 3.476 0.336 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.967 5.198 3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.632 5.733 -0.645 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.391 7.469 2.588 1.00 0.00 H new ATOM 0 HH TYR A 80 9.030 8.367 0.070 1.00 0.00 H new ATOM 1150 N PRO A 81 8.128 -0.415 1.653 1.00 0.00 N ATOM 1151 CA PRO A 81 8.191 -1.794 2.100 1.00 0.00 C ATOM 1152 C PRO A 81 9.473 -2.050 2.893 1.00 0.00 C ATOM 1153 O PRO A 81 10.555 -1.982 2.324 1.00 0.00 O ATOM 1154 CB PRO A 81 8.117 -2.652 0.835 1.00 0.00 C ATOM 1155 CG PRO A 81 8.419 -1.706 -0.331 1.00 0.00 C ATOM 1156 CD PRO A 81 8.376 -0.292 0.230 1.00 0.00 C ATOM 0 HA PRO A 81 7.372 -2.038 2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.839 -3.468 0.873 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.131 -3.104 0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.397 -1.922 -0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.686 -1.828 -1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.317 0.226 0.045 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.591 0.291 -0.251 1.00 0.00 H new ATOM 1164 N THR A 82 9.385 -2.362 4.189 1.00 0.00 N ATOM 1165 CA THR A 82 10.572 -2.561 5.013 1.00 0.00 C ATOM 1166 C THR A 82 10.973 -4.036 5.100 1.00 0.00 C ATOM 1167 O THR A 82 12.064 -4.344 5.579 1.00 0.00 O ATOM 1168 CB THR A 82 10.342 -1.926 6.388 1.00 0.00 C ATOM 1169 OG1 THR A 82 9.081 -2.313 6.897 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.375 -0.400 6.261 1.00 0.00 C ATOM 0 H THR A 82 8.503 -2.481 4.687 1.00 0.00 H new ATOM 0 HA THR A 82 11.420 -2.063 4.543 1.00 0.00 H new ATOM 0 HB THR A 82 11.128 -2.262 7.065 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.944 -1.904 7.777 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.211 0.050 7.240 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.346 -0.088 5.876 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.592 -0.075 5.576 1.00 0.00 H new ATOM 1178 N SER A 83 10.129 -4.952 4.618 1.00 0.00 N ATOM 1179 CA SER A 83 10.431 -6.364 4.431 1.00 0.00 C ATOM 1180 C SER A 83 9.474 -6.901 3.373 1.00 0.00 C ATOM 1181 O SER A 83 8.672 -6.136 2.834 1.00 0.00 O ATOM 1182 CB SER A 83 10.294 -7.129 5.758 1.00 0.00 C ATOM 1183 OG SER A 83 11.291 -6.743 6.685 1.00 0.00 O ATOM 0 H SER A 83 9.178 -4.715 4.337 1.00 0.00 H new ATOM 0 HA SER A 83 11.461 -6.498 4.100 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.308 -6.945 6.185 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.365 -8.200 5.570 1.00 0.00 H new ATOM 0 HG SER A 83 11.727 -5.923 6.374 1.00 0.00 H new ATOM 1189 N ASP A 84 9.549 -8.202 3.080 1.00 0.00 N ATOM 1190 CA ASP A 84 8.500 -8.903 2.364 1.00 0.00 C ATOM 1191 C ASP A 84 7.187 -8.708 3.116 1.00 0.00 C ATOM 1192 O ASP A 84 7.157 -8.664 4.347 1.00 0.00 O ATOM 1193 CB ASP A 84 8.855 -10.389 2.215 1.00 0.00 C ATOM 1194 CG ASP A 84 9.184 -11.034 3.556 1.00 0.00 C ATOM 1195 OD1 ASP A 84 10.146 -10.535 4.186 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.482 -12.002 3.915 1.00 0.00 O ATOM 0 H ASP A 84 10.341 -8.791 3.336 1.00 0.00 H new ATOM 0 HA ASP A 84 8.394 -8.499 1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.020 -10.917 1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.708 -10.493 1.544 1.00 0.00 H new ATOM 1201 N VAL A 85 6.114 -8.491 2.358 1.00 0.00 N ATOM 1202 CA VAL A 85 4.868 -7.979 2.913 1.00 0.00 C ATOM 1203 C VAL A 85 3.693 -8.338 2.008 1.00 0.00 C ATOM 1204 O VAL A 85 3.829 -8.433 0.787 1.00 0.00 O ATOM 1205 CB VAL A 85 5.014 -6.468 3.211 1.00 0.00 C ATOM 1206 CG1 VAL A 85 5.526 -5.692 1.994 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.747 -5.779 3.748 1.00 0.00 C ATOM 0 H VAL A 85 6.085 -8.664 1.353 1.00 0.00 H new ATOM 0 HA VAL A 85 4.648 -8.456 3.868 1.00 0.00 H new ATOM 0 HB VAL A 85 5.749 -6.440 4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.614 -4.635 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.503 -6.078 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.826 -5.810 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.954 -4.723 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.944 -5.874 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.445 -6.251 4.683 1.00 0.00 H new ATOM 1217 N VAL A 86 2.535 -8.579 2.628 1.00 0.00 N ATOM 1218 CA VAL A 86 1.314 -8.940 1.939 1.00 0.00 C ATOM 1219 C VAL A 86 0.265 -7.911 2.324 1.00 0.00 C ATOM 1220 O VAL A 86 0.017 -7.709 3.514 1.00 0.00 O ATOM 1221 CB VAL A 86 0.892 -10.361 2.339 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.345 -10.793 1.548 1.00 0.00 C ATOM 1223 CG2 VAL A 86 2.019 -11.366 2.055 1.00 0.00 C ATOM 0 H VAL A 86 2.428 -8.525 3.641 1.00 0.00 H new ATOM 0 HA VAL A 86 1.447 -8.941 0.857 1.00 0.00 H new ATOM 0 HB VAL A 86 0.670 -10.349 3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.631 -11.802 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.167 -10.108 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.119 -10.777 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.697 -12.366 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.255 -11.357 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.905 -11.090 2.626 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.344 -7.267 1.330 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.387 -6.287 1.525 1.00 0.00 C ATOM 1235 C ILE A 87 -2.472 -6.499 0.461 1.00 0.00 C ATOM 1236 O ILE A 87 -2.176 -6.993 -0.624 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.743 -4.885 1.561 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.746 -3.732 1.507 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.394 -4.662 0.559 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -2.032 -3.387 0.055 1.00 0.00 C ATOM 0 H ILE A 87 -0.114 -7.422 0.348 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.900 -6.396 2.481 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.284 -4.873 2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.669 -4.012 2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.347 -2.862 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.778 -3.647 0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.195 -5.375 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.019 -4.804 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.747 -2.565 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.106 -3.090 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.449 -4.258 -0.451 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.723 -6.135 0.758 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.823 -6.122 -0.203 1.00 0.00 C ATOM 1254 C GLU A 88 -5.123 -4.691 -0.626 1.00 0.00 C ATOM 1255 O GLU A 88 -5.529 -3.886 0.202 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.111 -6.685 0.394 1.00 0.00 C ATOM 1257 CG GLU A 88 -6.029 -7.935 1.259 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.375 -8.191 1.939 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.410 -7.793 1.348 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.356 -8.702 3.077 1.00 0.00 O ATOM 0 H GLU A 88 -4.002 -5.836 1.692 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.509 -6.737 -1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.570 -5.898 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.792 -6.897 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.753 -8.793 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.249 -7.816 2.011 1.00 0.00 H new ATOM 1267 N THR A 89 -4.961 -4.352 -1.895 1.00 0.00 N ATOM 1268 CA THR A 89 -5.229 -3.005 -2.382 1.00 0.00 C ATOM 1269 C THR A 89 -6.732 -2.784 -2.614 1.00 0.00 C ATOM 1270 O THR A 89 -7.523 -3.717 -2.486 1.00 0.00 O ATOM 1271 CB THR A 89 -4.383 -2.805 -3.642 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.420 -3.988 -4.417 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.936 -2.535 -3.231 1.00 0.00 C ATOM 0 H THR A 89 -4.641 -4.999 -2.616 1.00 0.00 H new ATOM 0 HA THR A 89 -4.950 -2.254 -1.643 1.00 0.00 H new ATOM 0 HB THR A 89 -4.773 -1.967 -4.219 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.315 -4.100 -4.801 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.325 -2.391 -4.122 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.894 -1.637 -2.614 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.555 -3.384 -2.663 1.00 0.00 H new ATOM 1281 N HIS A 90 -7.117 -1.547 -2.957 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.492 -1.130 -3.249 1.00 0.00 C ATOM 1283 C HIS A 90 -9.354 -1.126 -1.980 1.00 0.00 C ATOM 1284 O HIS A 90 -10.394 -1.778 -1.939 1.00 0.00 O ATOM 1285 CB HIS A 90 -9.151 -1.968 -4.367 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.437 -2.048 -5.695 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -7.078 -2.052 -5.911 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -9.033 -2.340 -6.893 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.860 -2.366 -7.198 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -8.024 -2.544 -7.838 1.00 0.00 N ATOM 0 H HIS A 90 -6.450 -0.780 -3.042 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.429 -0.108 -3.624 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.280 -2.984 -3.993 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.148 -1.565 -4.545 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.096 -2.402 -7.075 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.885 -2.462 -7.653 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.149 -2.782 -8.822 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.925 -0.394 -0.943 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.581 -0.388 0.367 1.00 0.00 C ATOM 1300 C LYS A 91 -9.936 1.013 0.838 1.00 0.00 C ATOM 1301 O LYS A 91 -10.075 1.248 2.036 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.689 -1.103 1.385 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.274 -2.476 0.862 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.481 -3.386 0.840 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.225 -4.745 0.202 1.00 0.00 C ATOM 1306 NZ LYS A 91 -9.887 -5.785 1.011 1.00 0.00 N ATOM 0 H LYS A 91 -8.107 0.214 -0.992 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.526 -0.922 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.803 -0.501 1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.221 -1.213 2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.854 -2.385 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.496 -2.900 1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.828 -3.536 1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.287 -2.889 0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.608 -4.761 -0.818 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.154 -4.938 0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.167 -6.358 1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.504 -5.335 1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.457 -6.396 0.392 1.00 0.00 H new ATOM 1320 N GLU A 92 -10.119 1.920 -0.117 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.608 3.264 0.119 1.00 0.00 C ATOM 1322 C GLU A 92 -11.920 3.179 0.908 1.00 0.00 C ATOM 1323 O GLU A 92 -11.928 3.418 2.117 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.696 3.930 -1.261 1.00 0.00 C ATOM 1325 CG GLU A 92 -11.249 5.360 -1.258 1.00 0.00 C ATOM 1326 CD GLU A 92 -12.688 5.466 -1.743 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -13.272 4.405 -2.057 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -13.156 6.621 -1.819 1.00 0.00 O ATOM 0 H GLU A 92 -9.925 1.730 -1.100 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.958 3.884 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.701 3.943 -1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.325 3.315 -1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.186 5.761 -0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.616 5.985 -1.888 1.00 0.00 H new ATOM 1335 N GLU A 93 -13.002 2.713 0.281 1.00 0.00 N ATOM 1336 CA GLU A 93 -14.297 2.583 0.948 1.00 0.00 C ATOM 1337 C GLU A 93 -14.382 1.314 1.825 1.00 0.00 C ATOM 1338 O GLU A 93 -15.423 0.664 1.896 1.00 0.00 O ATOM 1339 CB GLU A 93 -15.440 2.697 -0.091 1.00 0.00 C ATOM 1340 CG GLU A 93 -16.460 3.777 0.303 1.00 0.00 C ATOM 1341 CD GLU A 93 -17.667 3.825 -0.634 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -18.102 2.736 -1.071 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -18.157 4.949 -0.877 1.00 0.00 O ATOM 0 H GLU A 93 -13.005 2.418 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.413 3.409 1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.021 2.932 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.945 1.736 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -16.804 3.591 1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.969 4.750 0.305 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.291 0.971 2.522 1.00 0.00 N ATOM 1351 CA GLU A 94 -13.289 0.069 3.665 1.00 0.00 C ATOM 1352 C GLU A 94 -12.879 0.845 4.921 1.00 0.00 C ATOM 1353 O GLU A 94 -13.431 0.605 5.990 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.317 -1.116 3.471 1.00 0.00 C ATOM 1355 CG GLU A 94 -12.838 -2.310 2.641 1.00 0.00 C ATOM 1356 CD GLU A 94 -12.103 -3.631 2.923 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -11.666 -3.830 4.084 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -11.938 -4.453 1.990 1.00 0.00 O ATOM 0 H GLU A 94 -12.363 1.327 2.294 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.296 -0.335 3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.412 -0.739 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.029 -1.485 4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.900 -2.446 2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.744 -2.072 1.581 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.852 1.697 4.825 1.00 0.00 N ATOM 1366 CA ILE A 95 -11.225 2.269 5.998 1.00 0.00 C ATOM 1367 C ILE A 95 -12.061 3.380 6.636 1.00 0.00 C ATOM 1368 O ILE A 95 -12.135 3.457 7.864 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.770 2.657 5.681 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.669 3.682 4.553 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -8.993 1.391 5.316 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.337 4.414 4.553 1.00 0.00 C ATOM 0 H ILE A 95 -11.444 1.999 3.940 1.00 0.00 H new ATOM 0 HA ILE A 95 -11.181 1.509 6.778 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.343 3.127 6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.804 3.179 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.478 4.406 4.650 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.959 1.651 5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.016 0.695 6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.449 0.923 4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.316 5.131 3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.212 4.941 5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.527 3.695 4.428 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.656 4.246 5.815 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.442 5.380 6.280 1.00 0.00 C ATOM 1386 C VAL A 96 -14.885 4.934 6.534 1.00 0.00 C ATOM 1387 O VAL A 96 -15.301 3.943 5.893 1.00 0.00 O ATOM 1388 CB VAL A 96 -13.368 6.544 5.276 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -11.969 7.175 5.288 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -13.733 6.126 3.845 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.551 5.602 7.353 1.00 0.00 O ATOM 0 H VAL A 96 -12.603 4.176 4.799 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.029 5.746 7.220 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.109 7.275 5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.934 7.996 4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.749 7.554 6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.229 6.423 5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.662 6.990 3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.045 5.352 3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.752 5.739 3.828 1.00 0.00 H new TER 1401 VAL A 96 HETATM 1402 FE1 FES A 97 -3.871 10.546 -1.538 1.00 0.00 FE HETATM 1403 FE2 FES A 97 -3.852 8.032 -1.623 1.00 0.00 FE HETATM 1404 S1 FES A 97 -2.391 9.379 -2.567 1.00 0.00 S HETATM 1405 S2 FES A 97 -4.608 9.222 0.048 1.00 0.00 S