USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 666 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 50 GLN : amide:sc= -0.428 X(o=-2.6,f=-2.7) USER MOD Set 1.2: A 81 MET CE :methyl -148:sc= -2.17 (180deg=-3.34!) USER MOD Single : A 1 MET CE :methyl -137:sc= -0.256 (180deg=-1.49!) USER MOD Single : A 1 MET N :NH3+ 127:sc= 0.0735 (180deg=-0.521) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -147:sc= -0.376 (180deg=-0.795) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.67! USER MOD Single : A 16 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.0038) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc=-0.000755 X(o=-0.00075,f=-0.12) USER MOD Single : A 21 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.775) USER MOD Single : A 35 CYS SG : rot -150:sc= -3.19 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -84:sc= 1.18 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -119:sc= -0.686 (180deg=-3.76!) USER MOD Single : A 47 MET CE :methyl -120:sc= -1.32 (180deg=-2.93!) USER MOD Single : A 51 ASN : amide:sc= -4.26! C(o=-4.3!,f=-11!) USER MOD Single : A 53 THR OG1 : rot -163:sc= -1.39! USER MOD Single : A 58 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 60 MET CE :methyl 158:sc= 0 (180deg=-0.289) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -0:sc= 0.627 USER MOD Single : A 80 MET CE :methyl -168:sc= -1.42 (180deg=-1.66) USER MOD Single : A 84 CYS SG : rot -45:sc= 1.18 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 84.003 9.171 -3.874 1.00 3.22 N ATOM 2 CA MET A 1 83.188 9.141 -2.626 1.00 2.61 C ATOM 3 C MET A 1 82.697 7.717 -2.349 1.00 2.16 C ATOM 4 O MET A 1 82.723 6.863 -3.212 1.00 2.75 O ATOM 5 CB MET A 1 82.006 10.070 -2.901 1.00 3.09 C ATOM 6 CG MET A 1 81.060 9.408 -3.904 1.00 3.96 C ATOM 7 SD MET A 1 79.590 10.443 -4.122 1.00 4.65 S ATOM 8 CE MET A 1 78.911 10.228 -2.458 1.00 5.42 C ATOM 0 H1 MET A 1 83.629 9.900 -4.515 1.00 3.22 H new ATOM 0 H2 MET A 1 84.992 9.392 -3.638 1.00 3.22 H new ATOM 0 H3 MET A 1 83.957 8.243 -4.341 1.00 3.22 H new ATOM 0 HA MET A 1 83.759 9.456 -1.753 1.00 2.61 H new ATOM 0 HB2 MET A 1 81.476 10.286 -1.973 1.00 3.09 H new ATOM 0 HB3 MET A 1 82.362 11.022 -3.294 1.00 3.09 H new ATOM 0 HG2 MET A 1 81.565 9.270 -4.860 1.00 3.96 H new ATOM 0 HG3 MET A 1 80.772 8.418 -3.550 1.00 3.96 H new ATOM 0 HE1 MET A 1 77.834 10.070 -2.522 1.00 5.42 H new ATOM 0 HE2 MET A 1 79.377 9.364 -1.984 1.00 5.42 H new ATOM 0 HE3 MET A 1 79.112 11.120 -1.865 1.00 5.42 H new ATOM 20 N ASP A 2 82.249 7.457 -1.153 1.00 1.80 N ATOM 21 CA ASP A 2 81.755 6.088 -0.824 1.00 1.98 C ATOM 22 C ASP A 2 82.888 5.068 -0.970 1.00 1.58 C ATOM 23 O ASP A 2 83.523 4.974 -2.001 1.00 2.28 O ATOM 24 CB ASP A 2 80.651 5.812 -1.845 1.00 2.93 C ATOM 25 CG ASP A 2 79.357 5.448 -1.114 1.00 3.62 C ATOM 26 OD1 ASP A 2 79.443 5.037 0.032 1.00 4.06 O ATOM 27 OD2 ASP A 2 78.304 5.587 -1.712 1.00 4.19 O ATOM 0 H ASP A 2 82.203 8.131 -0.389 1.00 1.80 H new ATOM 0 HA ASP A 2 81.392 6.014 0.201 1.00 1.98 H new ATOM 0 HB2 ASP A 2 80.493 6.690 -2.471 1.00 2.93 H new ATOM 0 HB3 ASP A 2 80.948 4.998 -2.507 1.00 2.93 H new ATOM 32 N ASP A 3 83.146 4.304 0.056 1.00 1.09 N ATOM 33 CA ASP A 3 84.237 3.291 -0.024 1.00 1.04 C ATOM 34 C ASP A 3 83.992 2.170 0.988 1.00 0.99 C ATOM 35 O ASP A 3 83.968 1.004 0.647 1.00 1.06 O ATOM 36 CB ASP A 3 85.514 4.056 0.321 1.00 1.37 C ATOM 37 CG ASP A 3 86.731 3.262 -0.157 1.00 1.89 C ATOM 38 OD1 ASP A 3 86.719 2.051 -0.009 1.00 2.45 O ATOM 39 OD2 ASP A 3 87.654 3.878 -0.664 1.00 2.31 O ATOM 0 H ASP A 3 82.649 4.337 0.946 1.00 1.09 H new ATOM 0 HA ASP A 3 84.296 2.824 -1.007 1.00 1.04 H new ATOM 0 HB2 ASP A 3 85.500 5.039 -0.150 1.00 1.37 H new ATOM 0 HB3 ASP A 3 85.573 4.219 1.397 1.00 1.37 H new ATOM 44 N ILE A 4 83.809 2.516 2.231 1.00 0.90 N ATOM 45 CA ILE A 4 83.564 1.473 3.268 1.00 0.89 C ATOM 46 C ILE A 4 82.226 0.778 3.009 1.00 0.82 C ATOM 47 O ILE A 4 82.030 -0.367 3.365 1.00 0.85 O ATOM 48 CB ILE A 4 83.524 2.235 4.593 1.00 0.85 C ATOM 49 CG1 ILE A 4 82.227 3.042 4.677 1.00 1.02 C ATOM 50 CG2 ILE A 4 84.721 3.184 4.671 1.00 0.75 C ATOM 51 CD1 ILE A 4 82.098 3.657 6.071 1.00 1.74 C ATOM 0 H ILE A 4 83.818 3.476 2.575 1.00 0.90 H new ATOM 0 HA ILE A 4 84.331 0.699 3.266 1.00 0.89 H new ATOM 0 HB ILE A 4 83.567 1.528 5.421 1.00 0.85 H new ATOM 0 HG12 ILE A 4 82.225 3.826 3.920 1.00 1.02 H new ATOM 0 HG13 ILE A 4 81.372 2.398 4.471 1.00 1.02 H new ATOM 0 HG21 ILE A 4 84.693 3.728 5.615 1.00 0.75 H new ATOM 0 HG22 ILE A 4 85.645 2.610 4.610 1.00 0.75 H new ATOM 0 HG23 ILE A 4 84.679 3.892 3.843 1.00 0.75 H new ATOM 0 HD11 ILE A 4 81.174 4.232 6.131 1.00 1.74 H new ATOM 0 HD12 ILE A 4 82.081 2.864 6.818 1.00 1.74 H new ATOM 0 HD13 ILE A 4 82.947 4.314 6.259 1.00 1.74 H new ATOM 63 N TYR A 5 81.303 1.463 2.389 1.00 0.78 N ATOM 64 CA TYR A 5 79.978 0.841 2.104 1.00 0.78 C ATOM 65 C TYR A 5 80.101 -0.157 0.951 1.00 0.92 C ATOM 66 O TYR A 5 79.310 -1.069 0.818 1.00 0.99 O ATOM 67 CB TYR A 5 79.071 2.007 1.713 1.00 0.78 C ATOM 68 CG TYR A 5 78.914 2.938 2.891 1.00 0.92 C ATOM 69 CD1 TYR A 5 78.073 2.587 3.953 1.00 1.77 C ATOM 70 CD2 TYR A 5 79.612 4.152 2.922 1.00 1.31 C ATOM 71 CE1 TYR A 5 77.928 3.449 5.047 1.00 2.00 C ATOM 72 CE2 TYR A 5 79.467 5.014 4.015 1.00 1.36 C ATOM 73 CZ TYR A 5 78.625 4.663 5.078 1.00 1.35 C ATOM 74 OH TYR A 5 78.484 5.512 6.155 1.00 1.60 O ATOM 0 H TYR A 5 81.409 2.425 2.068 1.00 0.78 H new ATOM 0 HA TYR A 5 79.586 0.290 2.959 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.496 2.544 0.865 1.00 0.78 H new ATOM 0 HB3 TYR A 5 78.096 1.634 1.398 1.00 0.78 H new ATOM 0 HD1 TYR A 5 77.535 1.651 3.929 1.00 1.77 H new ATOM 0 HD2 TYR A 5 80.262 4.423 2.103 1.00 1.31 H new ATOM 0 HE1 TYR A 5 77.279 3.178 5.866 1.00 2.00 H new ATOM 0 HE2 TYR A 5 80.005 5.950 4.039 1.00 1.36 H new ATOM 0 HH TYR A 5 79.037 6.309 6.018 1.00 1.60 H new ATOM 84 N LYS A 6 81.089 0.008 0.114 1.00 1.02 N ATOM 85 CA LYS A 6 81.263 -0.932 -1.030 1.00 1.19 C ATOM 86 C LYS A 6 81.333 -2.374 -0.523 1.00 1.15 C ATOM 87 O LYS A 6 81.019 -3.308 -1.234 1.00 1.19 O ATOM 88 CB LYS A 6 82.586 -0.525 -1.681 1.00 1.38 C ATOM 89 CG LYS A 6 82.491 -0.720 -3.194 1.00 1.86 C ATOM 90 CD LYS A 6 82.193 0.622 -3.865 1.00 1.94 C ATOM 91 CE LYS A 6 83.482 1.195 -4.459 1.00 2.16 C ATOM 92 NZ LYS A 6 83.892 2.275 -3.519 1.00 2.91 N ATOM 0 H LYS A 6 81.783 0.753 0.173 1.00 1.02 H new ATOM 0 HA LYS A 6 80.432 -0.884 -1.734 1.00 1.19 H new ATOM 0 HB2 LYS A 6 82.811 0.516 -1.451 1.00 1.38 H new ATOM 0 HB3 LYS A 6 83.402 -1.124 -1.277 1.00 1.38 H new ATOM 0 HG2 LYS A 6 83.425 -1.131 -3.578 1.00 1.86 H new ATOM 0 HG3 LYS A 6 81.706 -1.439 -3.430 1.00 1.86 H new ATOM 0 HD2 LYS A 6 81.446 0.491 -4.648 1.00 1.94 H new ATOM 0 HD3 LYS A 6 81.774 1.318 -3.139 1.00 1.94 H new ATOM 0 HE2 LYS A 6 84.253 0.429 -4.541 1.00 2.16 H new ATOM 0 HE3 LYS A 6 83.314 1.587 -5.462 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 84.358 3.039 -4.050 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 83.052 2.652 -3.035 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 84.553 1.890 -2.815 1.00 2.91 H new ATOM 106 N ALA A 7 81.745 -2.564 0.701 1.00 1.13 N ATOM 107 CA ALA A 7 81.832 -3.947 1.252 1.00 1.14 C ATOM 108 C ALA A 7 80.436 -4.457 1.618 1.00 1.06 C ATOM 109 O ALA A 7 80.164 -5.640 1.568 1.00 1.10 O ATOM 110 CB ALA A 7 82.704 -3.823 2.502 1.00 1.20 C ATOM 0 H ALA A 7 82.025 -1.822 1.343 1.00 1.13 H new ATOM 0 HA ALA A 7 82.250 -4.653 0.534 1.00 1.14 H new ATOM 0 HB1 ALA A 7 82.816 -4.803 2.966 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.686 -3.439 2.224 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.233 -3.139 3.208 1.00 1.20 H new ATOM 116 N ALA A 8 79.551 -3.573 1.988 1.00 0.99 N ATOM 117 CA ALA A 8 78.173 -4.005 2.358 1.00 0.95 C ATOM 118 C ALA A 8 77.560 -4.842 1.231 1.00 0.95 C ATOM 119 O ALA A 8 76.954 -5.868 1.467 1.00 1.02 O ATOM 120 CB ALA A 8 77.389 -2.707 2.549 1.00 0.91 C ATOM 0 H ALA A 8 79.722 -2.569 2.050 1.00 0.99 H new ATOM 0 HA ALA A 8 78.161 -4.624 3.255 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.360 -2.940 2.824 1.00 0.91 H new ATOM 0 HB2 ALA A 8 77.851 -2.116 3.340 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.396 -2.138 1.620 1.00 0.91 H new ATOM 126 N VAL A 9 77.711 -4.409 0.010 1.00 0.97 N ATOM 127 CA VAL A 9 77.136 -5.179 -1.131 1.00 1.07 C ATOM 128 C VAL A 9 78.063 -6.334 -1.512 1.00 1.16 C ATOM 129 O VAL A 9 77.631 -7.344 -2.033 1.00 1.18 O ATOM 130 CB VAL A 9 77.034 -4.172 -2.276 1.00 1.21 C ATOM 131 CG1 VAL A 9 76.331 -4.824 -3.468 1.00 1.89 C ATOM 132 CG2 VAL A 9 76.231 -2.955 -1.815 1.00 1.49 C ATOM 0 H VAL A 9 78.207 -3.556 -0.248 1.00 0.97 H new ATOM 0 HA VAL A 9 76.169 -5.618 -0.887 1.00 1.07 H new ATOM 0 HB VAL A 9 78.035 -3.857 -2.572 1.00 1.21 H new ATOM 0 HG11 VAL A 9 76.258 -4.106 -4.285 1.00 1.89 H new ATOM 0 HG12 VAL A 9 76.903 -5.692 -3.798 1.00 1.89 H new ATOM 0 HG13 VAL A 9 75.331 -5.140 -3.172 1.00 1.89 H new ATOM 0 HG21 VAL A 9 76.158 -2.237 -2.632 1.00 1.49 H new ATOM 0 HG22 VAL A 9 75.231 -3.270 -1.519 1.00 1.49 H new ATOM 0 HG23 VAL A 9 76.731 -2.489 -0.966 1.00 1.49 H new ATOM 142 N GLU A 10 79.336 -6.196 -1.258 1.00 1.28 N ATOM 143 CA GLU A 10 80.288 -7.288 -1.608 1.00 1.44 C ATOM 144 C GLU A 10 79.909 -8.575 -0.870 1.00 1.41 C ATOM 145 O GLU A 10 80.339 -9.655 -1.224 1.00 1.54 O ATOM 146 CB GLU A 10 81.656 -6.788 -1.145 1.00 1.68 C ATOM 147 CG GLU A 10 82.682 -6.995 -2.262 1.00 2.16 C ATOM 148 CD GLU A 10 82.575 -5.852 -3.273 1.00 2.64 C ATOM 149 OE1 GLU A 10 81.734 -4.990 -3.077 1.00 3.13 O ATOM 150 OE2 GLU A 10 83.335 -5.858 -4.226 1.00 3.13 O ATOM 0 H GLU A 10 79.757 -5.375 -0.824 1.00 1.28 H new ATOM 0 HA GLU A 10 80.279 -7.517 -2.674 1.00 1.44 H new ATOM 0 HB2 GLU A 10 81.598 -5.732 -0.881 1.00 1.68 H new ATOM 0 HB3 GLU A 10 81.966 -7.324 -0.248 1.00 1.68 H new ATOM 0 HG2 GLU A 10 83.688 -7.031 -1.844 1.00 2.16 H new ATOM 0 HG3 GLU A 10 82.508 -7.950 -2.757 1.00 2.16 H new ATOM 157 N GLN A 11 79.105 -8.468 0.152 1.00 1.37 N ATOM 158 CA GLN A 11 78.698 -9.687 0.910 1.00 1.43 C ATOM 159 C GLN A 11 77.508 -10.360 0.224 1.00 1.24 C ATOM 160 O GLN A 11 77.245 -11.530 0.419 1.00 1.31 O ATOM 161 CB GLN A 11 78.303 -9.177 2.297 1.00 1.58 C ATOM 162 CG GLN A 11 79.494 -9.313 3.249 1.00 1.88 C ATOM 163 CD GLN A 11 79.074 -8.890 4.658 1.00 2.09 C ATOM 164 OE1 GLN A 11 77.975 -9.177 5.089 1.00 2.64 O ATOM 165 NE2 GLN A 11 79.909 -8.215 5.398 1.00 2.48 N ATOM 0 H GLN A 11 78.712 -7.591 0.495 1.00 1.37 H new ATOM 0 HA GLN A 11 79.495 -10.429 0.962 1.00 1.43 H new ATOM 0 HB2 GLN A 11 77.989 -8.135 2.237 1.00 1.58 H new ATOM 0 HB3 GLN A 11 77.454 -9.745 2.677 1.00 1.58 H new ATOM 0 HG2 GLN A 11 79.850 -10.343 3.258 1.00 1.88 H new ATOM 0 HG3 GLN A 11 80.322 -8.693 2.904 1.00 1.88 H new ATOM 0 HE21 GLN A 11 80.832 -7.974 5.036 1.00 2.48 H new ATOM 0 HE22 GLN A 11 79.639 -7.928 6.339 1.00 2.48 H new ATOM 174 N LEU A 12 76.785 -9.630 -0.583 1.00 1.24 N ATOM 175 CA LEU A 12 75.613 -10.230 -1.284 1.00 1.13 C ATOM 176 C LEU A 12 76.081 -11.045 -2.493 1.00 1.02 C ATOM 177 O LEU A 12 76.985 -10.654 -3.205 1.00 1.28 O ATOM 178 CB LEU A 12 74.768 -9.039 -1.736 1.00 1.12 C ATOM 179 CG LEU A 12 74.316 -8.240 -0.512 1.00 1.28 C ATOM 180 CD1 LEU A 12 73.824 -6.861 -0.955 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.178 -8.986 0.188 1.00 1.49 C ATOM 0 H LEU A 12 76.955 -8.645 -0.787 1.00 1.24 H new ATOM 0 HA LEU A 12 75.051 -10.908 -0.642 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.346 -8.403 -2.406 1.00 1.12 H new ATOM 0 HB3 LEU A 12 73.901 -9.387 -2.297 1.00 1.12 H new ATOM 0 HG LEU A 12 75.153 -8.122 0.176 1.00 1.28 H new ATOM 0 HD11 LEU A 12 73.502 -6.292 -0.083 1.00 2.02 H new ATOM 0 HD12 LEU A 12 74.633 -6.330 -1.456 1.00 2.02 H new ATOM 0 HD13 LEU A 12 72.986 -6.977 -1.642 1.00 2.02 H new ATOM 0 HD21 LEU A 12 72.854 -8.419 1.061 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.341 -9.102 -0.501 1.00 1.49 H new ATOM 0 HD23 LEU A 12 73.527 -9.969 0.503 1.00 1.49 H new ATOM 193 N THR A 13 75.473 -12.175 -2.731 1.00 0.93 N ATOM 194 CA THR A 13 75.885 -13.011 -3.896 1.00 0.93 C ATOM 195 C THR A 13 75.012 -12.689 -5.111 1.00 0.88 C ATOM 196 O THR A 13 74.166 -11.818 -5.068 1.00 0.86 O ATOM 197 CB THR A 13 75.666 -14.456 -3.444 1.00 1.03 C ATOM 198 OG1 THR A 13 74.279 -14.675 -3.223 1.00 1.13 O ATOM 199 CG2 THR A 13 76.438 -14.711 -2.149 1.00 1.20 C ATOM 0 H THR A 13 74.710 -12.556 -2.171 1.00 0.93 H new ATOM 0 HA THR A 13 76.919 -12.829 -4.191 1.00 0.93 H new ATOM 0 HB THR A 13 76.024 -15.137 -4.216 1.00 1.03 H new ATOM 0 HG1 THR A 13 74.136 -15.601 -2.935 1.00 1.13 H new ATOM 0 HG21 THR A 13 76.281 -15.741 -1.828 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.501 -14.542 -2.320 1.00 1.20 H new ATOM 0 HG23 THR A 13 76.083 -14.032 -1.374 1.00 1.20 H new ATOM 207 N GLU A 14 75.209 -13.386 -6.197 1.00 0.88 N ATOM 208 CA GLU A 14 74.390 -13.119 -7.415 1.00 0.87 C ATOM 209 C GLU A 14 72.955 -13.613 -7.207 1.00 0.82 C ATOM 210 O GLU A 14 72.015 -13.063 -7.746 1.00 0.79 O ATOM 211 CB GLU A 14 75.072 -13.909 -8.532 1.00 0.99 C ATOM 212 CG GLU A 14 74.952 -13.139 -9.849 1.00 1.98 C ATOM 213 CD GLU A 14 75.815 -13.814 -10.916 1.00 2.36 C ATOM 214 OE1 GLU A 14 76.857 -14.341 -10.561 1.00 3.17 O ATOM 215 OE2 GLU A 14 75.421 -13.792 -12.071 1.00 2.36 O ATOM 0 H GLU A 14 75.901 -14.129 -6.294 1.00 0.88 H new ATOM 0 HA GLU A 14 74.329 -12.056 -7.646 1.00 0.87 H new ATOM 0 HB2 GLU A 14 76.122 -14.072 -8.288 1.00 0.99 H new ATOM 0 HB3 GLU A 14 74.611 -14.892 -8.630 1.00 0.99 H new ATOM 0 HG2 GLU A 14 73.911 -13.111 -10.172 1.00 1.98 H new ATOM 0 HG3 GLU A 14 75.270 -12.106 -9.709 1.00 1.98 H new ATOM 222 N GLU A 15 72.782 -14.646 -6.428 1.00 0.85 N ATOM 223 CA GLU A 15 71.409 -15.174 -6.186 1.00 0.84 C ATOM 224 C GLU A 15 70.677 -14.297 -5.166 1.00 0.76 C ATOM 225 O GLU A 15 69.476 -14.120 -5.233 1.00 0.70 O ATOM 226 CB GLU A 15 71.620 -16.583 -5.632 1.00 0.92 C ATOM 227 CG GLU A 15 71.827 -17.561 -6.790 1.00 1.49 C ATOM 228 CD GLU A 15 72.692 -18.733 -6.323 1.00 1.88 C ATOM 229 OE1 GLU A 15 72.668 -19.026 -5.139 1.00 2.07 O ATOM 230 OE2 GLU A 15 73.362 -19.319 -7.157 1.00 2.62 O ATOM 0 H GLU A 15 73.531 -15.147 -5.949 1.00 0.85 H new ATOM 0 HA GLU A 15 70.802 -15.179 -7.091 1.00 0.84 H new ATOM 0 HB2 GLU A 15 72.485 -16.599 -4.969 1.00 0.92 H new ATOM 0 HB3 GLU A 15 70.758 -16.884 -5.037 1.00 0.92 H new ATOM 0 HG2 GLU A 15 70.864 -17.926 -7.147 1.00 1.49 H new ATOM 0 HG3 GLU A 15 72.306 -17.053 -7.627 1.00 1.49 H new ATOM 237 N GLN A 16 71.389 -13.746 -4.221 1.00 0.79 N ATOM 238 CA GLN A 16 70.732 -12.881 -3.199 1.00 0.74 C ATOM 239 C GLN A 16 70.309 -11.549 -3.827 1.00 0.68 C ATOM 240 O GLN A 16 69.236 -11.041 -3.566 1.00 0.67 O ATOM 241 CB GLN A 16 71.798 -12.652 -2.126 1.00 0.79 C ATOM 242 CG GLN A 16 71.987 -13.932 -1.311 1.00 0.88 C ATOM 243 CD GLN A 16 72.208 -13.573 0.159 1.00 1.70 C ATOM 244 OE1 GLN A 16 73.229 -13.901 0.731 1.00 2.53 O ATOM 245 NE2 GLN A 16 71.286 -12.908 0.801 1.00 2.20 N ATOM 0 H GLN A 16 72.397 -13.857 -4.112 1.00 0.79 H new ATOM 0 HA GLN A 16 69.833 -13.339 -2.788 1.00 0.74 H new ATOM 0 HB2 GLN A 16 72.740 -12.362 -2.591 1.00 0.79 H new ATOM 0 HB3 GLN A 16 71.500 -11.833 -1.472 1.00 0.79 H new ATOM 0 HG2 GLN A 16 71.111 -14.573 -1.412 1.00 0.88 H new ATOM 0 HG3 GLN A 16 72.839 -14.495 -1.691 1.00 0.88 H new ATOM 0 HE21 GLN A 16 70.429 -12.632 0.322 1.00 2.20 H new ATOM 0 HE22 GLN A 16 71.423 -12.664 1.782 1.00 2.20 H new ATOM 254 N LYS A 17 71.144 -10.979 -4.654 1.00 0.69 N ATOM 255 CA LYS A 17 70.789 -9.682 -5.297 1.00 0.68 C ATOM 256 C LYS A 17 69.440 -9.799 -6.012 1.00 0.62 C ATOM 257 O LYS A 17 68.673 -8.859 -6.070 1.00 0.57 O ATOM 258 CB LYS A 17 71.908 -9.418 -6.306 1.00 0.79 C ATOM 259 CG LYS A 17 72.895 -8.404 -5.723 1.00 1.01 C ATOM 260 CD LYS A 17 74.271 -9.059 -5.578 1.00 1.53 C ATOM 261 CE LYS A 17 75.341 -8.135 -6.161 1.00 1.70 C ATOM 262 NZ LYS A 17 76.589 -8.948 -6.162 1.00 2.33 N ATOM 0 H LYS A 17 72.056 -11.356 -4.912 1.00 0.69 H new ATOM 0 HA LYS A 17 70.696 -8.874 -4.571 1.00 0.68 H new ATOM 0 HB2 LYS A 17 72.424 -10.348 -6.544 1.00 0.79 H new ATOM 0 HB3 LYS A 17 71.489 -9.039 -7.238 1.00 0.79 H new ATOM 0 HG2 LYS A 17 72.962 -7.531 -6.372 1.00 1.01 H new ATOM 0 HG3 LYS A 17 72.543 -8.054 -4.753 1.00 1.01 H new ATOM 0 HD2 LYS A 17 74.481 -9.259 -4.527 1.00 1.53 H new ATOM 0 HD3 LYS A 17 74.284 -10.019 -6.094 1.00 1.53 H new ATOM 0 HE2 LYS A 17 75.078 -7.813 -7.169 1.00 1.70 H new ATOM 0 HE3 LYS A 17 75.457 -7.234 -5.558 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 77.371 -8.382 -6.549 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 76.817 -9.235 -5.189 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 76.451 -9.795 -6.749 1.00 2.33 H new ATOM 276 N ASN A 18 69.146 -10.948 -6.557 1.00 0.65 N ATOM 277 CA ASN A 18 67.847 -11.126 -7.268 1.00 0.64 C ATOM 278 C ASN A 18 66.681 -10.797 -6.332 1.00 0.58 C ATOM 279 O ASN A 18 65.682 -10.243 -6.742 1.00 0.56 O ATOM 280 CB ASN A 18 67.814 -12.602 -7.668 1.00 0.73 C ATOM 281 CG ASN A 18 67.765 -12.718 -9.192 1.00 0.91 C ATOM 282 OD1 ASN A 18 66.942 -12.096 -9.834 1.00 1.55 O ATOM 283 ND2 ASN A 18 68.616 -13.495 -9.803 1.00 1.35 N ATOM 0 H ASN A 18 69.748 -11.771 -6.541 1.00 0.65 H new ATOM 0 HA ASN A 18 67.755 -10.467 -8.131 1.00 0.64 H new ATOM 0 HB2 ASN A 18 68.696 -13.114 -7.282 1.00 0.73 H new ATOM 0 HB3 ASN A 18 66.944 -13.089 -7.228 1.00 0.73 H new ATOM 0 HD21 ASN A 18 68.590 -13.580 -10.819 1.00 1.35 H new ATOM 0 HD22 ASN A 18 69.307 -14.017 -9.265 1.00 1.35 H new ATOM 290 N GLU A 19 66.801 -11.137 -5.078 1.00 0.62 N ATOM 291 CA GLU A 19 65.699 -10.845 -4.117 1.00 0.64 C ATOM 292 C GLU A 19 65.387 -9.346 -4.109 1.00 0.58 C ATOM 293 O GLU A 19 64.242 -8.939 -4.145 1.00 0.61 O ATOM 294 CB GLU A 19 66.235 -11.288 -2.756 1.00 0.75 C ATOM 295 CG GLU A 19 65.411 -12.472 -2.243 1.00 1.47 C ATOM 296 CD GLU A 19 66.282 -13.347 -1.340 1.00 2.01 C ATOM 297 OE1 GLU A 19 66.340 -13.068 -0.155 1.00 2.64 O ATOM 298 OE2 GLU A 19 66.877 -14.283 -1.851 1.00 2.50 O ATOM 0 H GLU A 19 67.614 -11.604 -4.677 1.00 0.62 H new ATOM 0 HA GLU A 19 64.775 -11.360 -4.379 1.00 0.64 H new ATOM 0 HB2 GLU A 19 67.284 -11.571 -2.841 1.00 0.75 H new ATOM 0 HB3 GLU A 19 66.184 -10.462 -2.047 1.00 0.75 H new ATOM 0 HG2 GLU A 19 64.543 -12.112 -1.691 1.00 1.47 H new ATOM 0 HG3 GLU A 19 65.035 -13.058 -3.082 1.00 1.47 H new ATOM 305 N PHE A 20 66.397 -8.520 -4.060 1.00 0.58 N ATOM 306 CA PHE A 20 66.158 -7.048 -4.047 1.00 0.59 C ATOM 307 C PHE A 20 65.566 -6.594 -5.384 1.00 0.53 C ATOM 308 O PHE A 20 64.685 -5.759 -5.432 1.00 0.54 O ATOM 309 CB PHE A 20 67.537 -6.425 -3.833 1.00 0.67 C ATOM 310 CG PHE A 20 67.706 -6.063 -2.377 1.00 1.04 C ATOM 311 CD1 PHE A 20 66.715 -5.324 -1.721 1.00 1.87 C ATOM 312 CD2 PHE A 20 68.853 -6.466 -1.683 1.00 1.85 C ATOM 313 CE1 PHE A 20 66.869 -4.989 -0.371 1.00 2.57 C ATOM 314 CE2 PHE A 20 69.008 -6.129 -0.333 1.00 2.52 C ATOM 315 CZ PHE A 20 68.017 -5.391 0.323 1.00 2.67 C ATOM 0 H PHE A 20 67.377 -8.801 -4.028 1.00 0.58 H new ATOM 0 HA PHE A 20 65.451 -6.752 -3.271 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.315 -7.125 -4.137 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.647 -5.536 -4.455 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.831 -5.012 -2.257 1.00 1.87 H new ATOM 0 HD2 PHE A 20 69.618 -7.037 -2.189 1.00 1.85 H new ATOM 0 HE1 PHE A 20 66.103 -4.421 0.135 1.00 2.57 H new ATOM 0 HE2 PHE A 20 69.893 -6.439 0.202 1.00 2.52 H new ATOM 0 HZ PHE A 20 68.137 -5.131 1.364 1.00 2.67 H new ATOM 325 N LYS A 21 66.046 -7.135 -6.471 1.00 0.53 N ATOM 326 CA LYS A 21 65.512 -6.731 -7.804 1.00 0.53 C ATOM 327 C LYS A 21 64.007 -7.000 -7.876 1.00 0.50 C ATOM 328 O LYS A 21 63.260 -6.244 -8.466 1.00 0.63 O ATOM 329 CB LYS A 21 66.261 -7.605 -8.813 1.00 0.61 C ATOM 330 CG LYS A 21 65.664 -7.403 -10.207 1.00 0.68 C ATOM 331 CD LYS A 21 65.967 -8.626 -11.075 1.00 1.26 C ATOM 332 CE LYS A 21 64.850 -8.810 -12.107 1.00 1.85 C ATOM 333 NZ LYS A 21 64.771 -7.507 -12.823 1.00 1.94 N ATOM 0 H LYS A 21 66.784 -7.839 -6.494 1.00 0.53 H new ATOM 0 HA LYS A 21 65.654 -5.668 -8.000 1.00 0.53 H new ATOM 0 HB2 LYS A 21 67.320 -7.346 -8.818 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.191 -8.654 -8.524 1.00 0.61 H new ATOM 0 HG2 LYS A 21 64.587 -7.253 -10.135 1.00 0.68 H new ATOM 0 HG3 LYS A 21 66.080 -6.506 -10.666 1.00 0.68 H new ATOM 0 HD2 LYS A 21 66.925 -8.499 -11.579 1.00 1.26 H new ATOM 0 HD3 LYS A 21 66.051 -9.516 -10.451 1.00 1.26 H new ATOM 0 HE2 LYS A 21 65.077 -9.625 -12.794 1.00 1.85 H new ATOM 0 HE3 LYS A 21 63.903 -9.054 -11.625 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 64.357 -7.653 -13.766 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 64.175 -6.849 -12.281 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 65.726 -7.107 -12.923 1.00 1.94 H new ATOM 347 N ALA A 22 63.556 -8.071 -7.285 1.00 0.51 N ATOM 348 CA ALA A 22 62.099 -8.387 -7.324 1.00 0.60 C ATOM 349 C ALA A 22 61.326 -7.464 -6.378 1.00 0.51 C ATOM 350 O ALA A 22 60.133 -7.283 -6.511 1.00 0.50 O ATOM 351 CB ALA A 22 61.997 -9.840 -6.858 1.00 0.76 C ATOM 0 H ALA A 22 64.132 -8.742 -6.777 1.00 0.51 H new ATOM 0 HA ALA A 22 61.674 -8.245 -8.318 1.00 0.60 H new ATOM 0 HB1 ALA A 22 60.952 -10.150 -6.859 1.00 0.76 H new ATOM 0 HB2 ALA A 22 62.566 -10.479 -7.533 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.401 -9.928 -5.849 1.00 0.76 H new ATOM 357 N ALA A 23 61.998 -6.877 -5.425 1.00 0.51 N ATOM 358 CA ALA A 23 61.296 -5.967 -4.475 1.00 0.47 C ATOM 359 C ALA A 23 61.618 -4.506 -4.807 1.00 0.43 C ATOM 360 O ALA A 23 60.739 -3.672 -4.895 1.00 0.46 O ATOM 361 CB ALA A 23 61.841 -6.337 -3.096 1.00 0.58 C ATOM 0 H ALA A 23 62.999 -6.987 -5.263 1.00 0.51 H new ATOM 0 HA ALA A 23 60.212 -6.072 -4.526 1.00 0.47 H new ATOM 0 HB1 ALA A 23 61.372 -5.709 -2.339 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.621 -7.384 -2.887 1.00 0.58 H new ATOM 0 HB3 ALA A 23 62.920 -6.182 -3.078 1.00 0.58 H new ATOM 367 N PHE A 24 62.870 -4.193 -4.995 1.00 0.54 N ATOM 368 CA PHE A 24 63.246 -2.789 -5.324 1.00 0.56 C ATOM 369 C PHE A 24 62.532 -2.343 -6.603 1.00 0.56 C ATOM 370 O PHE A 24 62.002 -1.252 -6.682 1.00 0.60 O ATOM 371 CB PHE A 24 64.760 -2.827 -5.536 1.00 0.66 C ATOM 372 CG PHE A 24 65.229 -1.495 -6.069 1.00 0.60 C ATOM 373 CD1 PHE A 24 64.974 -1.145 -7.399 1.00 1.24 C ATOM 374 CD2 PHE A 24 65.920 -0.611 -5.233 1.00 1.45 C ATOM 375 CE1 PHE A 24 65.410 0.089 -7.895 1.00 1.24 C ATOM 376 CE2 PHE A 24 66.356 0.624 -5.727 1.00 1.61 C ATOM 377 CZ PHE A 24 66.102 0.974 -7.059 1.00 0.94 C ATOM 0 H PHE A 24 63.649 -4.848 -4.935 1.00 0.54 H new ATOM 0 HA PHE A 24 62.964 -2.086 -4.540 1.00 0.56 H new ATOM 0 HB2 PHE A 24 65.264 -3.052 -4.596 1.00 0.66 H new ATOM 0 HB3 PHE A 24 65.020 -3.622 -6.235 1.00 0.66 H new ATOM 0 HD1 PHE A 24 64.440 -1.828 -8.044 1.00 1.24 H new ATOM 0 HD2 PHE A 24 66.117 -0.882 -4.206 1.00 1.45 H new ATOM 0 HE1 PHE A 24 65.213 0.359 -8.922 1.00 1.24 H new ATOM 0 HE2 PHE A 24 66.888 1.307 -5.081 1.00 1.61 H new ATOM 0 HZ PHE A 24 66.440 1.926 -7.441 1.00 0.94 H new ATOM 387 N ASP A 25 62.514 -3.181 -7.602 1.00 0.58 N ATOM 388 CA ASP A 25 61.832 -2.813 -8.877 1.00 0.64 C ATOM 389 C ASP A 25 60.325 -2.656 -8.653 1.00 0.66 C ATOM 390 O ASP A 25 59.600 -2.223 -9.527 1.00 0.76 O ATOM 391 CB ASP A 25 62.114 -3.980 -9.825 1.00 0.68 C ATOM 392 CG ASP A 25 61.413 -3.734 -11.161 1.00 1.05 C ATOM 393 OD1 ASP A 25 61.896 -2.909 -11.919 1.00 1.78 O ATOM 394 OD2 ASP A 25 60.405 -4.376 -11.407 1.00 1.58 O ATOM 0 H ASP A 25 62.942 -4.107 -7.592 1.00 0.58 H new ATOM 0 HA ASP A 25 62.190 -1.864 -9.276 1.00 0.64 H new ATOM 0 HB2 ASP A 25 63.188 -4.085 -9.980 1.00 0.68 H new ATOM 0 HB3 ASP A 25 61.763 -4.913 -9.384 1.00 0.68 H new ATOM 399 N ILE A 26 59.845 -3.009 -7.490 1.00 0.61 N ATOM 400 CA ILE A 26 58.384 -2.884 -7.217 1.00 0.67 C ATOM 401 C ILE A 26 57.990 -1.414 -7.054 1.00 0.73 C ATOM 402 O ILE A 26 56.824 -1.071 -7.055 1.00 0.99 O ATOM 403 CB ILE A 26 58.157 -3.640 -5.909 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.724 -5.056 -6.028 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.657 -3.718 -5.619 1.00 0.83 C ATOM 406 CD1 ILE A 26 58.044 -5.784 -7.188 1.00 0.84 C ATOM 0 H ILE A 26 60.401 -3.378 -6.718 1.00 0.61 H new ATOM 0 HA ILE A 26 57.783 -3.284 -8.034 1.00 0.67 H new ATOM 0 HB ILE A 26 58.660 -3.115 -5.097 1.00 0.70 H new ATOM 0 HG12 ILE A 26 59.801 -5.015 -6.192 1.00 0.66 H new ATOM 0 HG13 ILE A 26 58.564 -5.602 -5.098 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.494 -4.257 -4.686 1.00 0.83 H new ATOM 0 HG22 ILE A 26 56.250 -2.710 -5.531 1.00 0.83 H new ATOM 0 HG23 ILE A 26 56.156 -4.242 -6.433 1.00 0.83 H new ATOM 0 HD11 ILE A 26 58.449 -6.793 -7.272 1.00 0.84 H new ATOM 0 HD12 ILE A 26 56.971 -5.838 -7.005 1.00 0.84 H new ATOM 0 HD13 ILE A 26 58.227 -5.241 -8.115 1.00 0.84 H new ATOM 418 N PHE A 27 58.948 -0.539 -6.909 1.00 0.57 N ATOM 419 CA PHE A 27 58.610 0.904 -6.740 1.00 0.63 C ATOM 420 C PHE A 27 59.609 1.786 -7.496 1.00 0.59 C ATOM 421 O PHE A 27 60.158 2.722 -6.952 1.00 0.67 O ATOM 422 CB PHE A 27 58.705 1.158 -5.235 1.00 0.70 C ATOM 423 CG PHE A 27 57.752 0.239 -4.507 1.00 0.67 C ATOM 424 CD1 PHE A 27 56.371 0.460 -4.583 1.00 1.44 C ATOM 425 CD2 PHE A 27 58.249 -0.832 -3.756 1.00 1.17 C ATOM 426 CE1 PHE A 27 55.488 -0.391 -3.908 1.00 1.65 C ATOM 427 CE2 PHE A 27 57.366 -1.683 -3.081 1.00 1.20 C ATOM 428 CZ PHE A 27 55.984 -1.462 -3.157 1.00 1.09 C ATOM 0 H PHE A 27 59.944 -0.758 -6.900 1.00 0.57 H new ATOM 0 HA PHE A 27 57.623 1.141 -7.136 1.00 0.63 H new ATOM 0 HB2 PHE A 27 59.725 0.988 -4.891 1.00 0.70 H new ATOM 0 HB3 PHE A 27 58.463 2.198 -5.015 1.00 0.70 H new ATOM 0 HD1 PHE A 27 55.987 1.287 -5.162 1.00 1.44 H new ATOM 0 HD2 PHE A 27 59.314 -1.002 -3.697 1.00 1.17 H new ATOM 0 HE1 PHE A 27 54.423 -0.221 -3.967 1.00 1.65 H new ATOM 0 HE2 PHE A 27 57.750 -2.510 -2.502 1.00 1.20 H new ATOM 0 HZ PHE A 27 55.302 -2.118 -2.636 1.00 1.09 H new ATOM 438 N VAL A 28 59.840 1.502 -8.749 1.00 0.58 N ATOM 439 CA VAL A 28 60.795 2.336 -9.533 1.00 0.59 C ATOM 440 C VAL A 28 60.038 3.134 -10.597 1.00 0.64 C ATOM 441 O VAL A 28 60.590 3.523 -11.608 1.00 0.73 O ATOM 442 CB VAL A 28 61.757 1.344 -10.187 1.00 0.60 C ATOM 443 CG1 VAL A 28 62.884 2.110 -10.881 1.00 1.41 C ATOM 444 CG2 VAL A 28 62.349 0.427 -9.113 1.00 1.37 C ATOM 0 H VAL A 28 59.411 0.732 -9.262 1.00 0.58 H new ATOM 0 HA VAL A 28 61.325 3.055 -8.908 1.00 0.59 H new ATOM 0 HB VAL A 28 61.219 0.745 -10.922 1.00 0.60 H new ATOM 0 HG11 VAL A 28 63.571 1.404 -11.348 1.00 1.41 H new ATOM 0 HG12 VAL A 28 62.463 2.765 -11.644 1.00 1.41 H new ATOM 0 HG13 VAL A 28 63.423 2.709 -10.147 1.00 1.41 H new ATOM 0 HG21 VAL A 28 63.035 -0.281 -9.577 1.00 1.37 H new ATOM 0 HG22 VAL A 28 62.888 1.027 -8.379 1.00 1.37 H new ATOM 0 HG23 VAL A 28 61.546 -0.118 -8.617 1.00 1.37 H new ATOM 454 N LEU A 29 58.776 3.381 -10.375 1.00 0.75 N ATOM 455 CA LEU A 29 57.976 4.153 -11.369 1.00 0.91 C ATOM 456 C LEU A 29 58.565 5.553 -11.551 1.00 1.10 C ATOM 457 O LEU A 29 58.145 6.500 -10.916 1.00 1.54 O ATOM 458 CB LEU A 29 56.574 4.239 -10.766 1.00 1.17 C ATOM 459 CG LEU A 29 56.651 4.904 -9.391 1.00 1.49 C ATOM 460 CD1 LEU A 29 56.002 6.287 -9.455 1.00 2.09 C ATOM 461 CD2 LEU A 29 55.913 4.042 -8.366 1.00 1.73 C ATOM 0 H LEU A 29 58.263 3.081 -9.546 1.00 0.75 H new ATOM 0 HA LEU A 29 57.972 3.680 -12.351 1.00 0.91 H new ATOM 0 HB2 LEU A 29 55.919 4.811 -11.422 1.00 1.17 H new ATOM 0 HB3 LEU A 29 56.143 3.242 -10.676 1.00 1.17 H new ATOM 0 HG LEU A 29 57.695 5.007 -9.096 1.00 1.49 H new ATOM 0 HD11 LEU A 29 56.057 6.760 -8.475 1.00 2.09 H new ATOM 0 HD12 LEU A 29 56.528 6.902 -10.185 1.00 2.09 H new ATOM 0 HD13 LEU A 29 54.958 6.186 -9.751 1.00 2.09 H new ATOM 0 HD21 LEU A 29 55.968 4.515 -7.386 1.00 1.73 H new ATOM 0 HD22 LEU A 29 54.869 3.939 -8.662 1.00 1.73 H new ATOM 0 HD23 LEU A 29 56.376 3.056 -8.319 1.00 1.73 H new ATOM 473 N GLY A 30 59.534 5.693 -12.413 1.00 1.47 N ATOM 474 CA GLY A 30 60.146 7.034 -12.634 1.00 1.89 C ATOM 475 C GLY A 30 61.486 7.112 -11.903 1.00 1.94 C ATOM 476 O GLY A 30 62.202 6.136 -11.793 1.00 2.46 O ATOM 0 H GLY A 30 59.928 4.938 -12.974 1.00 1.47 H new ATOM 0 HA2 GLY A 30 60.291 7.208 -13.700 1.00 1.89 H new ATOM 0 HA3 GLY A 30 59.477 7.815 -12.272 1.00 1.89 H new ATOM 480 N ALA A 31 61.833 8.266 -11.403 1.00 1.89 N ATOM 481 CA ALA A 31 63.130 8.406 -10.681 1.00 2.14 C ATOM 482 C ALA A 31 64.288 8.013 -11.600 1.00 2.28 C ATOM 483 O ALA A 31 64.863 6.951 -11.468 1.00 2.46 O ATOM 484 CB ALA A 31 63.032 7.443 -9.498 1.00 1.97 C ATOM 0 H ALA A 31 61.275 9.118 -11.463 1.00 1.89 H new ATOM 0 HA ALA A 31 63.315 9.430 -10.356 1.00 2.14 H new ATOM 0 HB1 ALA A 31 63.952 7.488 -8.915 1.00 1.97 H new ATOM 0 HB2 ALA A 31 62.189 7.726 -8.868 1.00 1.97 H new ATOM 0 HB3 ALA A 31 62.885 6.428 -9.866 1.00 1.97 H new ATOM 490 N GLU A 32 64.631 8.863 -12.531 1.00 2.73 N ATOM 491 CA GLU A 32 65.750 8.548 -13.467 1.00 2.98 C ATOM 492 C GLU A 32 65.411 7.313 -14.308 1.00 2.33 C ATOM 493 O GLU A 32 65.192 7.406 -15.499 1.00 2.34 O ATOM 494 CB GLU A 32 66.963 8.280 -12.573 1.00 3.71 C ATOM 495 CG GLU A 32 67.121 9.422 -11.566 1.00 4.48 C ATOM 496 CD GLU A 32 67.393 8.846 -10.176 1.00 5.14 C ATOM 497 OE1 GLU A 32 66.464 8.326 -9.579 1.00 5.38 O ATOM 498 OE2 GLU A 32 68.526 8.933 -9.731 1.00 5.71 O ATOM 0 H GLU A 32 64.182 9.766 -12.684 1.00 2.73 H new ATOM 0 HA GLU A 32 65.939 9.362 -14.167 1.00 2.98 H new ATOM 0 HB2 GLU A 32 66.838 7.333 -12.048 1.00 3.71 H new ATOM 0 HB3 GLU A 32 67.863 8.191 -13.181 1.00 3.71 H new ATOM 0 HG2 GLU A 32 67.940 10.075 -11.867 1.00 4.48 H new ATOM 0 HG3 GLU A 32 66.218 10.032 -11.548 1.00 4.48 H new ATOM 505 N ASP A 33 65.366 6.158 -13.701 1.00 2.13 N ATOM 506 CA ASP A 33 65.039 4.927 -14.477 1.00 2.25 C ATOM 507 C ASP A 33 65.047 3.697 -13.564 1.00 1.67 C ATOM 508 O ASP A 33 64.291 2.766 -13.756 1.00 2.00 O ATOM 509 CB ASP A 33 66.140 4.816 -15.535 1.00 3.20 C ATOM 510 CG ASP A 33 67.499 5.131 -14.905 1.00 3.87 C ATOM 511 OD1 ASP A 33 67.626 4.959 -13.704 1.00 4.16 O ATOM 512 OD2 ASP A 33 68.387 5.542 -15.634 1.00 4.49 O ATOM 0 H ASP A 33 65.540 6.013 -12.706 1.00 2.13 H new ATOM 0 HA ASP A 33 64.046 4.980 -14.924 1.00 2.25 H new ATOM 0 HB2 ASP A 33 66.150 3.812 -15.959 1.00 3.20 H new ATOM 0 HB3 ASP A 33 65.940 5.506 -16.355 1.00 3.20 H new ATOM 517 N GLY A 34 65.896 3.682 -12.573 1.00 1.10 N ATOM 518 CA GLY A 34 65.947 2.506 -11.657 1.00 1.18 C ATOM 519 C GLY A 34 66.092 2.986 -10.210 1.00 0.92 C ATOM 520 O GLY A 34 66.969 2.556 -9.489 1.00 1.03 O ATOM 0 H GLY A 34 66.555 4.430 -12.358 1.00 1.10 H new ATOM 0 HA2 GLY A 34 65.041 1.910 -11.764 1.00 1.18 H new ATOM 0 HA3 GLY A 34 66.785 1.862 -11.923 1.00 1.18 H new ATOM 524 N CYS A 35 65.234 3.871 -9.780 1.00 0.78 N ATOM 525 CA CYS A 35 65.320 4.376 -8.379 1.00 0.68 C ATOM 526 C CYS A 35 63.920 4.449 -7.764 1.00 0.69 C ATOM 527 O CYS A 35 62.931 4.555 -8.462 1.00 0.89 O ATOM 528 CB CYS A 35 65.930 5.773 -8.497 1.00 0.78 C ATOM 529 SG CYS A 35 67.517 5.667 -9.361 1.00 1.27 S ATOM 0 H CYS A 35 64.477 4.266 -10.338 1.00 0.78 H new ATOM 0 HA CYS A 35 65.917 3.727 -7.739 1.00 0.68 H new ATOM 0 HB2 CYS A 35 65.252 6.433 -9.039 1.00 0.78 H new ATOM 0 HB3 CYS A 35 66.071 6.205 -7.506 1.00 0.78 H new ATOM 0 HG CYS A 35 68.303 6.613 -8.942 1.00 1.27 H new ATOM 535 N ILE A 36 63.823 4.394 -6.463 1.00 0.57 N ATOM 536 CA ILE A 36 62.479 4.461 -5.819 1.00 0.57 C ATOM 537 C ILE A 36 62.317 5.778 -5.058 1.00 0.50 C ATOM 538 O ILE A 36 63.273 6.488 -4.814 1.00 0.60 O ATOM 539 CB ILE A 36 62.439 3.278 -4.854 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.442 3.508 -3.722 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.802 1.995 -5.603 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.471 2.281 -2.808 1.00 0.75 C ATOM 0 H ILE A 36 64.611 4.306 -5.821 1.00 0.57 H new ATOM 0 HA ILE A 36 61.672 4.418 -6.551 1.00 0.57 H new ATOM 0 HB ILE A 36 61.436 3.184 -4.438 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.435 3.692 -4.133 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.165 4.394 -3.151 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.773 1.151 -4.914 1.00 0.72 H new ATOM 0 HG22 ILE A 36 62.087 1.830 -6.409 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.805 2.089 -6.020 1.00 0.72 H new ATOM 0 HD11 ILE A 36 64.186 2.445 -2.001 1.00 0.75 H new ATOM 0 HD12 ILE A 36 62.479 2.118 -2.386 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.769 1.405 -3.384 1.00 0.75 H new ATOM 554 N SER A 37 61.113 6.109 -4.683 1.00 0.54 N ATOM 555 CA SER A 37 60.885 7.380 -3.938 1.00 0.50 C ATOM 556 C SER A 37 61.108 7.161 -2.440 1.00 0.48 C ATOM 557 O SER A 37 60.517 6.288 -1.836 1.00 0.60 O ATOM 558 CB SER A 37 59.428 7.746 -4.215 1.00 0.55 C ATOM 559 OG SER A 37 59.380 8.979 -4.920 1.00 1.02 O ATOM 0 H SER A 37 60.276 5.554 -4.860 1.00 0.54 H new ATOM 0 HA SER A 37 61.569 8.170 -4.249 1.00 0.50 H new ATOM 0 HB2 SER A 37 58.948 6.961 -4.799 1.00 0.55 H new ATOM 0 HB3 SER A 37 58.877 7.828 -3.278 1.00 0.55 H new ATOM 0 HG SER A 37 58.447 9.216 -5.101 1.00 1.02 H new ATOM 565 N THR A 38 61.953 7.948 -1.834 1.00 0.48 N ATOM 566 CA THR A 38 62.209 7.783 -0.376 1.00 0.53 C ATOM 567 C THR A 38 60.887 7.641 0.383 1.00 0.53 C ATOM 568 O THR A 38 60.837 7.089 1.464 1.00 0.59 O ATOM 569 CB THR A 38 62.935 9.062 0.045 1.00 0.64 C ATOM 570 OG1 THR A 38 62.199 10.191 -0.404 1.00 0.62 O ATOM 571 CG2 THR A 38 64.333 9.083 -0.575 1.00 0.85 C ATOM 0 H THR A 38 62.477 8.698 -2.285 1.00 0.48 H new ATOM 0 HA THR A 38 62.795 6.890 -0.159 1.00 0.53 H new ATOM 0 HB THR A 38 63.021 9.092 1.131 1.00 0.64 H new ATOM 0 HG1 THR A 38 62.433 10.385 -1.336 1.00 0.62 H new ATOM 0 HG21 THR A 38 64.850 9.994 -0.275 1.00 0.85 H new ATOM 0 HG22 THR A 38 64.897 8.216 -0.231 1.00 0.85 H new ATOM 0 HG23 THR A 38 64.250 9.054 -1.661 1.00 0.85 H new ATOM 579 N LYS A 39 59.815 8.136 -0.174 1.00 0.60 N ATOM 580 CA LYS A 39 58.499 8.029 0.518 1.00 0.73 C ATOM 581 C LYS A 39 57.945 6.607 0.390 1.00 0.66 C ATOM 582 O LYS A 39 56.908 6.285 0.937 1.00 0.87 O ATOM 583 CB LYS A 39 57.590 9.025 -0.203 1.00 0.90 C ATOM 584 CG LYS A 39 58.338 10.344 -0.413 1.00 1.78 C ATOM 585 CD LYS A 39 57.419 11.514 -0.057 1.00 2.12 C ATOM 586 CE LYS A 39 58.126 12.431 0.944 1.00 2.70 C ATOM 587 NZ LYS A 39 57.027 13.113 1.682 1.00 2.96 N ATOM 0 H LYS A 39 59.794 8.609 -1.077 1.00 0.60 H new ATOM 0 HA LYS A 39 58.576 8.244 1.584 1.00 0.73 H new ATOM 0 HB2 LYS A 39 57.276 8.617 -1.163 1.00 0.90 H new ATOM 0 HB3 LYS A 39 56.686 9.197 0.381 1.00 0.90 H new ATOM 0 HG2 LYS A 39 59.234 10.369 0.208 1.00 1.78 H new ATOM 0 HG3 LYS A 39 58.666 10.427 -1.449 1.00 1.78 H new ATOM 0 HD2 LYS A 39 57.158 12.072 -0.956 1.00 2.12 H new ATOM 0 HD3 LYS A 39 56.487 11.142 0.369 1.00 2.12 H new ATOM 0 HE2 LYS A 39 58.762 11.861 1.621 1.00 2.70 H new ATOM 0 HE3 LYS A 39 58.767 13.151 0.436 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 57.432 13.760 2.388 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 56.442 13.653 1.013 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 56.438 12.403 2.161 1.00 2.96 H new ATOM 601 N GLU A 40 58.624 5.753 -0.325 1.00 0.52 N ATOM 602 CA GLU A 40 58.128 4.355 -0.482 1.00 0.56 C ATOM 603 C GLU A 40 59.099 3.369 0.180 1.00 0.52 C ATOM 604 O GLU A 40 58.712 2.301 0.613 1.00 0.59 O ATOM 605 CB GLU A 40 58.054 4.123 -1.996 1.00 0.71 C ATOM 606 CG GLU A 40 59.442 3.773 -2.543 1.00 1.06 C ATOM 607 CD GLU A 40 59.614 2.253 -2.552 1.00 1.41 C ATOM 608 OE1 GLU A 40 58.794 1.580 -1.950 1.00 1.60 O ATOM 609 OE2 GLU A 40 60.564 1.788 -3.161 1.00 2.23 O ATOM 0 H GLU A 40 59.499 5.961 -0.807 1.00 0.52 H new ATOM 0 HA GLU A 40 57.159 4.204 -0.006 1.00 0.56 H new ATOM 0 HB2 GLU A 40 57.354 3.316 -2.214 1.00 0.71 H new ATOM 0 HB3 GLU A 40 57.674 5.017 -2.491 1.00 0.71 H new ATOM 0 HG2 GLU A 40 59.559 4.170 -3.552 1.00 1.06 H new ATOM 0 HG3 GLU A 40 60.215 4.234 -1.928 1.00 1.06 H new ATOM 616 N LEU A 41 60.355 3.718 0.258 1.00 0.51 N ATOM 617 CA LEU A 41 61.347 2.799 0.890 1.00 0.54 C ATOM 618 C LEU A 41 60.755 2.179 2.157 1.00 0.56 C ATOM 619 O LEU A 41 61.032 1.045 2.492 1.00 0.70 O ATOM 620 CB LEU A 41 62.546 3.684 1.234 1.00 0.62 C ATOM 621 CG LEU A 41 63.810 2.825 1.300 1.00 0.64 C ATOM 622 CD1 LEU A 41 65.030 3.725 1.495 1.00 1.18 C ATOM 623 CD2 LEU A 41 63.703 1.851 2.476 1.00 1.40 C ATOM 0 H LEU A 41 60.737 4.598 -0.088 1.00 0.51 H new ATOM 0 HA LEU A 41 61.626 1.976 0.233 1.00 0.54 H new ATOM 0 HB2 LEU A 41 62.663 4.465 0.483 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.382 4.183 2.189 1.00 0.62 H new ATOM 0 HG LEU A 41 63.917 2.265 0.371 1.00 0.64 H new ATOM 0 HD11 LEU A 41 65.930 3.112 1.542 1.00 1.18 H new ATOM 0 HD12 LEU A 41 65.107 4.420 0.659 1.00 1.18 H new ATOM 0 HD13 LEU A 41 64.924 4.286 2.424 1.00 1.18 H new ATOM 0 HD21 LEU A 41 64.603 1.238 2.524 1.00 1.40 H new ATOM 0 HD22 LEU A 41 63.596 2.412 3.404 1.00 1.40 H new ATOM 0 HD23 LEU A 41 62.834 1.208 2.338 1.00 1.40 H new ATOM 635 N GLY A 42 59.937 2.912 2.861 1.00 0.57 N ATOM 636 CA GLY A 42 59.326 2.361 4.103 1.00 0.60 C ATOM 637 C GLY A 42 58.727 0.987 3.802 1.00 0.55 C ATOM 638 O GLY A 42 59.030 0.009 4.456 1.00 0.57 O ATOM 0 H GLY A 42 59.666 3.868 2.630 1.00 0.57 H new ATOM 0 HA2 GLY A 42 60.079 2.279 4.887 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.553 3.035 4.472 1.00 0.60 H new ATOM 642 N LYS A 43 57.881 0.903 2.811 1.00 0.57 N ATOM 643 CA LYS A 43 57.269 -0.410 2.463 1.00 0.58 C ATOM 644 C LYS A 43 58.351 -1.376 1.974 1.00 0.56 C ATOM 645 O LYS A 43 58.224 -2.578 2.087 1.00 0.60 O ATOM 646 CB LYS A 43 56.278 -0.101 1.341 1.00 0.65 C ATOM 647 CG LYS A 43 54.847 -0.234 1.869 1.00 0.99 C ATOM 648 CD LYS A 43 54.392 1.105 2.455 1.00 1.28 C ATOM 649 CE LYS A 43 53.974 2.044 1.322 1.00 1.53 C ATOM 650 NZ LYS A 43 53.624 3.326 1.994 1.00 1.86 N ATOM 0 H LYS A 43 57.588 1.687 2.228 1.00 0.57 H new ATOM 0 HA LYS A 43 56.781 -0.881 3.316 1.00 0.58 H new ATOM 0 HB2 LYS A 43 56.445 0.908 0.962 1.00 0.65 H new ATOM 0 HB3 LYS A 43 56.433 -0.784 0.506 1.00 0.65 H new ATOM 0 HG2 LYS A 43 54.178 -0.537 1.064 1.00 0.99 H new ATOM 0 HG3 LYS A 43 54.800 -1.011 2.632 1.00 0.99 H new ATOM 0 HD2 LYS A 43 53.558 0.950 3.139 1.00 1.28 H new ATOM 0 HD3 LYS A 43 55.199 1.554 3.034 1.00 1.28 H new ATOM 0 HE2 LYS A 43 54.783 2.182 0.605 1.00 1.53 H new ATOM 0 HE3 LYS A 43 53.124 1.643 0.770 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 53.327 4.022 1.281 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 52.846 3.165 2.666 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 54.454 3.688 2.506 1.00 1.86 H new ATOM 664 N VAL A 44 59.418 -0.854 1.432 1.00 0.54 N ATOM 665 CA VAL A 44 60.513 -1.734 0.936 1.00 0.56 C ATOM 666 C VAL A 44 61.324 -2.277 2.116 1.00 0.59 C ATOM 667 O VAL A 44 61.781 -3.403 2.101 1.00 0.57 O ATOM 668 CB VAL A 44 61.374 -0.828 0.055 1.00 0.59 C ATOM 669 CG1 VAL A 44 62.748 -1.464 -0.154 1.00 1.36 C ATOM 670 CG2 VAL A 44 60.690 -0.639 -1.300 1.00 1.36 C ATOM 0 H VAL A 44 59.578 0.146 1.311 1.00 0.54 H new ATOM 0 HA VAL A 44 60.140 -2.598 0.386 1.00 0.56 H new ATOM 0 HB VAL A 44 61.496 0.139 0.543 1.00 0.59 H new ATOM 0 HG11 VAL A 44 63.358 -0.815 -0.782 1.00 1.36 H new ATOM 0 HG12 VAL A 44 63.237 -1.599 0.811 1.00 1.36 H new ATOM 0 HG13 VAL A 44 62.630 -2.433 -0.640 1.00 1.36 H new ATOM 0 HG21 VAL A 44 61.302 0.007 -1.930 1.00 1.36 H new ATOM 0 HG22 VAL A 44 60.568 -1.608 -1.784 1.00 1.36 H new ATOM 0 HG23 VAL A 44 59.712 -0.181 -1.153 1.00 1.36 H new ATOM 680 N MET A 45 61.505 -1.486 3.137 1.00 0.74 N ATOM 681 CA MET A 45 62.284 -1.957 4.317 1.00 0.84 C ATOM 682 C MET A 45 61.531 -3.086 5.027 1.00 0.86 C ATOM 683 O MET A 45 62.093 -4.114 5.348 1.00 0.89 O ATOM 684 CB MET A 45 62.402 -0.735 5.228 1.00 0.96 C ATOM 685 CG MET A 45 63.623 0.092 4.818 1.00 1.12 C ATOM 686 SD MET A 45 65.017 -0.313 5.899 1.00 1.48 S ATOM 687 CE MET A 45 65.748 1.341 5.954 1.00 0.73 C ATOM 0 H MET A 45 61.147 -0.533 3.206 1.00 0.74 H new ATOM 0 HA MET A 45 63.261 -2.351 4.038 1.00 0.84 H new ATOM 0 HB2 MET A 45 61.499 -0.128 5.159 1.00 0.96 H new ATOM 0 HB3 MET A 45 62.496 -1.051 6.267 1.00 0.96 H new ATOM 0 HG2 MET A 45 63.883 -0.114 3.780 1.00 1.12 H new ATOM 0 HG3 MET A 45 63.394 1.156 4.885 1.00 1.12 H new ATOM 0 HE1 MET A 45 66.757 1.307 5.543 1.00 0.73 H new ATOM 0 HE2 MET A 45 65.140 2.027 5.365 1.00 0.73 H new ATOM 0 HE3 MET A 45 65.788 1.687 6.987 1.00 0.73 H new ATOM 697 N ARG A 46 60.262 -2.903 5.272 1.00 0.94 N ATOM 698 CA ARG A 46 59.475 -3.969 5.958 1.00 1.04 C ATOM 699 C ARG A 46 59.336 -5.189 5.044 1.00 1.00 C ATOM 700 O ARG A 46 59.166 -6.302 5.500 1.00 1.04 O ATOM 701 CB ARG A 46 58.108 -3.341 6.230 1.00 1.21 C ATOM 702 CG ARG A 46 57.441 -2.970 4.904 1.00 1.04 C ATOM 703 CD ARG A 46 55.994 -2.544 5.161 1.00 1.77 C ATOM 704 NE ARG A 46 55.165 -3.526 4.409 1.00 2.29 N ATOM 705 CZ ARG A 46 54.051 -3.144 3.847 1.00 2.76 C ATOM 706 NH1 ARG A 46 53.475 -2.037 4.226 1.00 3.45 N ATOM 707 NH2 ARG A 46 53.513 -3.870 2.904 1.00 3.10 N ATOM 0 H ARG A 46 59.736 -2.064 5.028 1.00 0.94 H new ATOM 0 HA ARG A 46 59.953 -4.312 6.876 1.00 1.04 H new ATOM 0 HB2 ARG A 46 57.479 -4.039 6.782 1.00 1.21 H new ATOM 0 HB3 ARG A 46 58.222 -2.453 6.852 1.00 1.21 H new ATOM 0 HG2 ARG A 46 57.990 -2.160 4.423 1.00 1.04 H new ATOM 0 HG3 ARG A 46 57.465 -3.820 4.222 1.00 1.04 H new ATOM 0 HD2 ARG A 46 55.760 -2.563 6.225 1.00 1.77 H new ATOM 0 HD3 ARG A 46 55.814 -1.527 4.813 1.00 1.77 H new ATOM 0 HE ARG A 46 55.468 -4.497 4.333 1.00 2.29 H new ATOM 0 HH11 ARG A 46 53.895 -1.469 4.962 1.00 3.45 H new ATOM 0 HH12 ARG A 46 52.604 -1.739 3.786 1.00 3.45 H new ATOM 0 HH21 ARG A 46 53.964 -4.736 2.607 1.00 3.10 H new ATOM 0 HH22 ARG A 46 52.642 -3.572 2.465 1.00 3.10 H new ATOM 721 N MET A 47 59.410 -4.989 3.757 1.00 0.98 N ATOM 722 CA MET A 47 59.284 -6.139 2.815 1.00 1.04 C ATOM 723 C MET A 47 60.312 -7.219 3.163 1.00 0.99 C ATOM 724 O MET A 47 60.085 -8.395 2.958 1.00 1.07 O ATOM 725 CB MET A 47 59.569 -5.551 1.433 1.00 1.19 C ATOM 726 CG MET A 47 58.249 -5.177 0.754 1.00 1.37 C ATOM 727 SD MET A 47 58.111 -6.055 -0.822 1.00 1.89 S ATOM 728 CE MET A 47 57.344 -4.712 -1.763 1.00 1.30 C ATOM 0 H MET A 47 59.552 -4.080 3.316 1.00 0.98 H new ATOM 0 HA MET A 47 58.301 -6.608 2.862 1.00 1.04 H new ATOM 0 HB2 MET A 47 60.205 -4.671 1.525 1.00 1.19 H new ATOM 0 HB3 MET A 47 60.112 -6.274 0.824 1.00 1.19 H new ATOM 0 HG2 MET A 47 57.410 -5.434 1.400 1.00 1.37 H new ATOM 0 HG3 MET A 47 58.205 -4.101 0.588 1.00 1.37 H new ATOM 0 HE1 MET A 47 56.372 -5.037 -2.134 1.00 1.30 H new ATOM 0 HE2 MET A 47 57.214 -3.843 -1.117 1.00 1.30 H new ATOM 0 HE3 MET A 47 57.983 -4.446 -2.605 1.00 1.30 H new ATOM 738 N LEU A 48 61.441 -6.829 3.688 1.00 0.93 N ATOM 739 CA LEU A 48 62.482 -7.833 4.049 1.00 0.98 C ATOM 740 C LEU A 48 62.414 -8.150 5.546 1.00 1.32 C ATOM 741 O LEU A 48 62.890 -9.174 5.996 1.00 1.80 O ATOM 742 CB LEU A 48 63.814 -7.168 3.701 1.00 1.21 C ATOM 743 CG LEU A 48 64.007 -7.174 2.184 1.00 1.28 C ATOM 744 CD1 LEU A 48 63.868 -5.749 1.645 1.00 2.11 C ATOM 745 CD2 LEU A 48 65.402 -7.708 1.853 1.00 1.86 C ATOM 0 H LEU A 48 61.688 -5.859 3.883 1.00 0.93 H new ATOM 0 HA LEU A 48 62.348 -8.776 3.518 1.00 0.98 H new ATOM 0 HB2 LEU A 48 63.831 -6.145 4.076 1.00 1.21 H new ATOM 0 HB3 LEU A 48 64.634 -7.698 4.185 1.00 1.21 H new ATOM 0 HG LEU A 48 63.252 -7.811 1.724 1.00 1.28 H new ATOM 0 HD11 LEU A 48 64.006 -5.754 0.564 1.00 2.11 H new ATOM 0 HD12 LEU A 48 62.876 -5.365 1.883 1.00 2.11 H new ATOM 0 HD13 LEU A 48 64.623 -5.111 2.104 1.00 2.11 H new ATOM 0 HD21 LEU A 48 65.542 -7.713 0.772 1.00 1.86 H new ATOM 0 HD22 LEU A 48 66.155 -7.069 2.314 1.00 1.86 H new ATOM 0 HD23 LEU A 48 65.504 -8.723 2.237 1.00 1.86 H new ATOM 757 N GLY A 49 61.828 -7.278 6.321 1.00 1.36 N ATOM 758 CA GLY A 49 61.732 -7.529 7.786 1.00 1.95 C ATOM 759 C GLY A 49 61.883 -6.207 8.541 1.00 1.43 C ATOM 760 O GLY A 49 61.111 -5.894 9.426 1.00 1.92 O ATOM 0 H GLY A 49 61.412 -6.403 6.002 1.00 1.36 H new ATOM 0 HA2 GLY A 49 60.773 -7.989 8.025 1.00 1.95 H new ATOM 0 HA3 GLY A 49 62.508 -8.229 8.097 1.00 1.95 H new ATOM 764 N GLN A 50 62.872 -5.428 8.200 1.00 1.21 N ATOM 765 CA GLN A 50 63.073 -4.126 8.900 1.00 1.01 C ATOM 766 C GLN A 50 61.841 -3.235 8.720 1.00 1.02 C ATOM 767 O GLN A 50 61.436 -2.933 7.615 1.00 1.23 O ATOM 768 CB GLN A 50 64.293 -3.499 8.227 1.00 1.43 C ATOM 769 CG GLN A 50 65.567 -4.124 8.794 1.00 1.58 C ATOM 770 CD GLN A 50 65.962 -5.337 7.948 1.00 2.45 C ATOM 771 OE1 GLN A 50 65.994 -6.449 8.436 1.00 3.08 O ATOM 772 NE2 GLN A 50 66.266 -5.167 6.690 1.00 3.14 N ATOM 0 H GLN A 50 63.550 -5.636 7.467 1.00 1.21 H new ATOM 0 HA GLN A 50 63.220 -4.251 9.973 1.00 1.01 H new ATOM 0 HB2 GLN A 50 64.247 -3.655 7.149 1.00 1.43 H new ATOM 0 HB3 GLN A 50 64.299 -2.422 8.393 1.00 1.43 H new ATOM 0 HG2 GLN A 50 66.374 -3.391 8.797 1.00 1.58 H new ATOM 0 HG3 GLN A 50 65.407 -4.426 9.829 1.00 1.58 H new ATOM 0 HE21 GLN A 50 66.239 -4.233 6.280 1.00 3.14 H new ATOM 0 HE22 GLN A 50 66.530 -5.968 6.116 1.00 3.14 H new ATOM 781 N ASN A 51 61.242 -2.810 9.799 1.00 0.98 N ATOM 782 CA ASN A 51 60.037 -1.937 9.689 1.00 1.08 C ATOM 783 C ASN A 51 60.300 -0.588 10.366 1.00 0.93 C ATOM 784 O ASN A 51 59.715 -0.280 11.386 1.00 1.15 O ATOM 785 CB ASN A 51 58.930 -2.698 10.420 1.00 1.52 C ATOM 786 CG ASN A 51 58.842 -4.123 9.872 1.00 1.82 C ATOM 787 OD1 ASN A 51 58.814 -4.326 8.673 1.00 2.25 O ATOM 788 ND2 ASN A 51 58.800 -5.128 10.703 1.00 2.47 N ATOM 0 H ASN A 51 61.534 -3.029 10.751 1.00 0.98 H new ATOM 0 HA ASN A 51 59.771 -1.726 8.653 1.00 1.08 H new ATOM 0 HB2 ASN A 51 59.136 -2.721 11.490 1.00 1.52 H new ATOM 0 HB3 ASN A 51 57.976 -2.187 10.289 1.00 1.52 H new ATOM 0 HD21 ASN A 51 58.744 -6.082 10.347 1.00 2.47 H new ATOM 0 HD22 ASN A 51 58.823 -4.959 11.709 1.00 2.47 H new ATOM 795 N PRO A 52 61.179 0.171 9.769 1.00 0.72 N ATOM 796 CA PRO A 52 61.533 1.505 10.317 1.00 0.80 C ATOM 797 C PRO A 52 60.397 2.504 10.077 1.00 0.80 C ATOM 798 O PRO A 52 59.392 2.183 9.476 1.00 0.80 O ATOM 799 CB PRO A 52 62.777 1.896 9.525 1.00 0.85 C ATOM 800 CG PRO A 52 62.680 1.128 8.244 1.00 0.79 C ATOM 801 CD PRO A 52 61.918 -0.138 8.541 1.00 0.71 C ATOM 0 HA PRO A 52 61.703 1.495 11.394 1.00 0.80 H new ATOM 0 HB2 PRO A 52 62.805 2.970 9.340 1.00 0.85 H new ATOM 0 HB3 PRO A 52 63.687 1.642 10.069 1.00 0.85 H new ATOM 0 HG2 PRO A 52 62.169 1.715 7.481 1.00 0.79 H new ATOM 0 HG3 PRO A 52 63.673 0.898 7.857 1.00 0.79 H new ATOM 0 HD2 PRO A 52 61.244 -0.399 7.725 1.00 0.71 H new ATOM 0 HD3 PRO A 52 62.590 -0.984 8.682 1.00 0.71 H new ATOM 809 N THR A 53 60.550 3.713 10.544 1.00 0.87 N ATOM 810 CA THR A 53 59.480 4.732 10.342 1.00 0.92 C ATOM 811 C THR A 53 59.874 5.700 9.222 1.00 0.82 C ATOM 812 O THR A 53 61.042 5.862 8.924 1.00 0.76 O ATOM 813 CB THR A 53 59.372 5.472 11.676 1.00 1.08 C ATOM 814 OG1 THR A 53 60.456 6.384 11.798 1.00 1.26 O ATOM 815 CG2 THR A 53 59.416 4.468 12.830 1.00 1.54 C ATOM 0 H THR A 53 61.369 4.040 11.057 1.00 0.87 H new ATOM 0 HA THR A 53 58.532 4.279 10.052 1.00 0.92 H new ATOM 0 HB THR A 53 58.429 6.018 11.711 1.00 1.08 H new ATOM 0 HG1 THR A 53 60.550 6.657 12.734 1.00 1.26 H new ATOM 0 HG21 THR A 53 59.339 5.000 13.778 1.00 1.54 H new ATOM 0 HG22 THR A 53 58.584 3.770 12.737 1.00 1.54 H new ATOM 0 HG23 THR A 53 60.357 3.918 12.798 1.00 1.54 H new ATOM 823 N PRO A 54 58.881 6.312 8.639 1.00 0.82 N ATOM 824 CA PRO A 54 59.120 7.277 7.538 1.00 0.75 C ATOM 825 C PRO A 54 59.694 8.585 8.089 1.00 0.73 C ATOM 826 O PRO A 54 60.254 9.382 7.363 1.00 0.69 O ATOM 827 CB PRO A 54 57.730 7.500 6.951 1.00 0.83 C ATOM 828 CG PRO A 54 56.781 7.182 8.062 1.00 0.94 C ATOM 829 CD PRO A 54 57.454 6.164 8.947 1.00 0.93 C ATOM 0 HA PRO A 54 59.837 6.917 6.800 1.00 0.75 H new ATOM 0 HB2 PRO A 54 57.607 8.528 6.610 1.00 0.83 H new ATOM 0 HB3 PRO A 54 57.558 6.855 6.089 1.00 0.83 H new ATOM 0 HG2 PRO A 54 56.536 8.081 8.628 1.00 0.94 H new ATOM 0 HG3 PRO A 54 55.844 6.789 7.667 1.00 0.94 H new ATOM 0 HD2 PRO A 54 57.251 6.355 10.001 1.00 0.93 H new ATOM 0 HD3 PRO A 54 57.102 5.155 8.733 1.00 0.93 H new ATOM 837 N GLU A 55 59.559 8.813 9.368 1.00 0.85 N ATOM 838 CA GLU A 55 60.096 10.070 9.963 1.00 0.87 C ATOM 839 C GLU A 55 61.588 9.914 10.272 1.00 0.84 C ATOM 840 O GLU A 55 62.380 10.801 10.017 1.00 0.82 O ATOM 841 CB GLU A 55 59.300 10.269 11.253 1.00 1.02 C ATOM 842 CG GLU A 55 59.968 11.350 12.104 1.00 1.48 C ATOM 843 CD GLU A 55 58.919 12.373 12.547 1.00 2.02 C ATOM 844 OE1 GLU A 55 58.364 13.035 11.684 1.00 2.53 O ATOM 845 OE2 GLU A 55 58.688 12.476 13.739 1.00 2.57 O ATOM 0 H GLU A 55 59.100 8.183 10.026 1.00 0.85 H new ATOM 0 HA GLU A 55 59.999 10.921 9.288 1.00 0.87 H new ATOM 0 HB2 GLU A 55 58.275 10.557 11.019 1.00 1.02 H new ATOM 0 HB3 GLU A 55 59.249 9.333 11.809 1.00 1.02 H new ATOM 0 HG2 GLU A 55 60.443 10.900 12.976 1.00 1.48 H new ATOM 0 HG3 GLU A 55 60.754 11.844 11.532 1.00 1.48 H new ATOM 852 N GLU A 56 61.977 8.796 10.821 1.00 0.88 N ATOM 853 CA GLU A 56 63.417 8.587 11.147 1.00 0.91 C ATOM 854 C GLU A 56 64.206 8.263 9.875 1.00 0.80 C ATOM 855 O GLU A 56 65.359 8.621 9.741 1.00 0.81 O ATOM 856 CB GLU A 56 63.438 7.397 12.107 1.00 1.00 C ATOM 857 CG GLU A 56 63.764 7.887 13.520 1.00 1.44 C ATOM 858 CD GLU A 56 64.260 6.713 14.367 1.00 1.39 C ATOM 859 OE1 GLU A 56 64.577 5.685 13.791 1.00 2.00 O ATOM 860 OE2 GLU A 56 64.316 6.862 15.576 1.00 1.79 O ATOM 0 H GLU A 56 61.361 8.018 11.058 1.00 0.88 H new ATOM 0 HA GLU A 56 63.873 9.474 11.587 1.00 0.91 H new ATOM 0 HB2 GLU A 56 62.472 6.893 12.099 1.00 1.00 H new ATOM 0 HB3 GLU A 56 64.181 6.668 11.783 1.00 1.00 H new ATOM 0 HG2 GLU A 56 64.525 8.667 13.479 1.00 1.44 H new ATOM 0 HG3 GLU A 56 62.878 8.329 13.976 1.00 1.44 H new ATOM 867 N LEU A 57 63.594 7.588 8.940 1.00 0.75 N ATOM 868 CA LEU A 57 64.312 7.244 7.680 1.00 0.70 C ATOM 869 C LEU A 57 64.833 8.516 7.006 1.00 0.67 C ATOM 870 O LEU A 57 65.700 8.469 6.156 1.00 0.71 O ATOM 871 CB LEU A 57 63.266 6.559 6.801 1.00 0.69 C ATOM 872 CG LEU A 57 63.817 5.221 6.303 1.00 1.00 C ATOM 873 CD1 LEU A 57 63.874 4.227 7.464 1.00 1.51 C ATOM 874 CD2 LEU A 57 62.903 4.671 5.205 1.00 1.41 C ATOM 0 H LEU A 57 62.630 7.260 8.994 1.00 0.75 H new ATOM 0 HA LEU A 57 65.175 6.603 7.858 1.00 0.70 H new ATOM 0 HB2 LEU A 57 62.348 6.399 7.367 1.00 0.69 H new ATOM 0 HB3 LEU A 57 63.012 7.197 5.955 1.00 0.69 H new ATOM 0 HG LEU A 57 64.820 5.368 5.903 1.00 1.00 H new ATOM 0 HD11 LEU A 57 64.267 3.274 7.108 1.00 1.51 H new ATOM 0 HD12 LEU A 57 64.524 4.618 8.246 1.00 1.51 H new ATOM 0 HD13 LEU A 57 62.872 4.079 7.866 1.00 1.51 H new ATOM 0 HD21 LEU A 57 63.294 3.718 4.849 1.00 1.41 H new ATOM 0 HD22 LEU A 57 61.900 4.525 5.606 1.00 1.41 H new ATOM 0 HD23 LEU A 57 62.863 5.378 4.377 1.00 1.41 H new ATOM 886 N GLN A 58 64.312 9.652 7.380 1.00 0.68 N ATOM 887 CA GLN A 58 64.779 10.926 6.761 1.00 0.72 C ATOM 888 C GLN A 58 66.155 11.305 7.312 1.00 0.71 C ATOM 889 O GLN A 58 66.927 11.989 6.667 1.00 0.79 O ATOM 890 CB GLN A 58 63.735 11.969 7.165 1.00 0.79 C ATOM 891 CG GLN A 58 64.061 13.305 6.494 1.00 1.09 C ATOM 892 CD GLN A 58 63.320 13.401 5.159 1.00 1.67 C ATOM 893 OE1 GLN A 58 62.296 14.047 5.065 1.00 2.37 O ATOM 894 NE2 GLN A 58 63.799 12.781 4.115 1.00 2.20 N ATOM 0 H GLN A 58 63.584 9.754 8.087 1.00 0.68 H new ATOM 0 HA GLN A 58 64.879 10.848 5.678 1.00 0.72 H new ATOM 0 HB2 GLN A 58 62.740 11.636 6.871 1.00 0.79 H new ATOM 0 HB3 GLN A 58 63.724 12.087 8.249 1.00 0.79 H new ATOM 0 HG2 GLN A 58 63.770 14.131 7.143 1.00 1.09 H new ATOM 0 HG3 GLN A 58 65.136 13.390 6.332 1.00 1.09 H new ATOM 0 HE21 GLN A 58 64.659 12.238 4.194 1.00 2.20 H new ATOM 0 HE22 GLN A 58 63.313 12.839 3.220 1.00 2.20 H new ATOM 903 N GLU A 59 66.470 10.867 8.501 1.00 0.70 N ATOM 904 CA GLU A 59 67.796 11.201 9.093 1.00 0.72 C ATOM 905 C GLU A 59 68.910 10.468 8.343 1.00 0.73 C ATOM 906 O GLU A 59 70.053 10.881 8.349 1.00 0.75 O ATOM 907 CB GLU A 59 67.715 10.717 10.541 1.00 0.75 C ATOM 908 CG GLU A 59 68.733 11.478 11.393 1.00 1.37 C ATOM 909 CD GLU A 59 69.769 10.498 11.946 1.00 1.66 C ATOM 910 OE1 GLU A 59 69.467 9.835 12.924 1.00 2.42 O ATOM 911 OE2 GLU A 59 70.849 10.428 11.382 1.00 2.02 O ATOM 0 H GLU A 59 65.866 10.292 9.088 1.00 0.70 H new ATOM 0 HA GLU A 59 68.020 12.266 9.031 1.00 0.72 H new ATOM 0 HB2 GLU A 59 66.709 10.873 10.932 1.00 0.75 H new ATOM 0 HB3 GLU A 59 67.913 9.646 10.589 1.00 0.75 H new ATOM 0 HG2 GLU A 59 69.225 12.244 10.793 1.00 1.37 H new ATOM 0 HG3 GLU A 59 68.228 11.990 12.212 1.00 1.37 H new ATOM 918 N MET A 60 68.585 9.382 7.694 1.00 0.79 N ATOM 919 CA MET A 60 69.626 8.624 6.942 1.00 0.84 C ATOM 920 C MET A 60 69.708 9.131 5.499 1.00 0.82 C ATOM 921 O MET A 60 70.777 9.301 4.950 1.00 0.96 O ATOM 922 CB MET A 60 69.153 7.169 6.973 1.00 0.93 C ATOM 923 CG MET A 60 70.217 6.300 7.644 1.00 1.27 C ATOM 924 SD MET A 60 70.586 4.876 6.590 1.00 1.65 S ATOM 925 CE MET A 60 69.285 3.787 7.219 1.00 0.97 C ATOM 0 H MET A 60 67.645 8.988 7.652 1.00 0.79 H new ATOM 0 HA MET A 60 70.619 8.740 7.377 1.00 0.84 H new ATOM 0 HB2 MET A 60 68.211 7.093 7.516 1.00 0.93 H new ATOM 0 HB3 MET A 60 68.966 6.815 5.959 1.00 0.93 H new ATOM 0 HG2 MET A 60 71.122 6.883 7.816 1.00 1.27 H new ATOM 0 HG3 MET A 60 69.865 5.963 8.619 1.00 1.27 H new ATOM 0 HE1 MET A 60 69.063 3.019 6.478 1.00 0.97 H new ATOM 0 HE2 MET A 60 69.621 3.314 8.142 1.00 0.97 H new ATOM 0 HE3 MET A 60 68.386 4.371 7.417 1.00 0.97 H new ATOM 935 N ILE A 61 68.583 9.373 4.884 1.00 0.76 N ATOM 936 CA ILE A 61 68.593 9.869 3.477 1.00 0.78 C ATOM 937 C ILE A 61 69.330 11.208 3.391 1.00 0.77 C ATOM 938 O ILE A 61 70.112 11.440 2.492 1.00 0.82 O ATOM 939 CB ILE A 61 67.119 10.042 3.111 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.486 8.668 2.887 1.00 0.90 C ATOM 941 CG2 ILE A 61 67.004 10.870 1.829 1.00 0.89 C ATOM 942 CD1 ILE A 61 65.064 8.661 3.452 1.00 0.98 C ATOM 0 H ILE A 61 67.657 9.249 5.294 1.00 0.76 H new ATOM 0 HA ILE A 61 69.104 9.184 2.801 1.00 0.78 H new ATOM 0 HB ILE A 61 66.601 10.554 3.922 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.467 8.434 1.823 1.00 0.90 H new ATOM 0 HG13 ILE A 61 67.085 7.897 3.372 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.953 10.993 1.568 1.00 0.89 H new ATOM 0 HG22 ILE A 61 67.456 11.849 1.987 1.00 0.89 H new ATOM 0 HG23 ILE A 61 67.521 10.358 1.018 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.614 7.681 3.292 1.00 0.98 H new ATOM 0 HD12 ILE A 61 65.096 8.876 4.520 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.468 9.421 2.947 1.00 0.98 H new ATOM 954 N ASP A 62 69.086 12.091 4.320 1.00 0.82 N ATOM 955 CA ASP A 62 69.773 13.415 4.289 1.00 0.90 C ATOM 956 C ASP A 62 71.242 13.259 4.691 1.00 0.85 C ATOM 957 O ASP A 62 72.011 14.199 4.645 1.00 0.91 O ATOM 958 CB ASP A 62 69.026 14.271 5.312 1.00 1.03 C ATOM 959 CG ASP A 62 68.771 15.661 4.727 1.00 1.58 C ATOM 960 OD1 ASP A 62 69.714 16.431 4.647 1.00 2.24 O ATOM 961 OD2 ASP A 62 67.636 15.932 4.368 1.00 2.06 O ATOM 0 H ASP A 62 68.442 11.954 5.099 1.00 0.82 H new ATOM 0 HA ASP A 62 69.762 13.863 3.295 1.00 0.90 H new ATOM 0 HB2 ASP A 62 68.081 13.797 5.577 1.00 1.03 H new ATOM 0 HB3 ASP A 62 69.610 14.352 6.229 1.00 1.03 H new ATOM 966 N GLU A 63 71.638 12.079 5.085 1.00 0.84 N ATOM 967 CA GLU A 63 73.058 11.867 5.490 1.00 0.91 C ATOM 968 C GLU A 63 73.679 10.730 4.675 1.00 1.01 C ATOM 969 O GLU A 63 74.856 10.450 4.778 1.00 1.32 O ATOM 970 CB GLU A 63 72.994 11.491 6.971 1.00 0.99 C ATOM 971 CG GLU A 63 72.422 12.662 7.771 1.00 1.35 C ATOM 972 CD GLU A 63 73.453 13.790 7.833 1.00 1.55 C ATOM 973 OE1 GLU A 63 74.618 13.490 8.034 1.00 2.14 O ATOM 974 OE2 GLU A 63 73.060 14.935 7.678 1.00 2.00 O ATOM 0 H GLU A 63 71.041 11.254 5.144 1.00 0.84 H new ATOM 0 HA GLU A 63 73.672 12.751 5.318 1.00 0.91 H new ATOM 0 HB2 GLU A 63 72.372 10.606 7.106 1.00 0.99 H new ATOM 0 HB3 GLU A 63 73.990 11.239 7.336 1.00 0.99 H new ATOM 0 HG2 GLU A 63 71.503 13.020 7.306 1.00 1.35 H new ATOM 0 HG3 GLU A 63 72.163 12.336 8.778 1.00 1.35 H new ATOM 981 N VAL A 64 72.896 10.073 3.866 1.00 0.92 N ATOM 982 CA VAL A 64 73.442 8.954 3.045 1.00 1.07 C ATOM 983 C VAL A 64 73.171 9.210 1.559 1.00 1.13 C ATOM 984 O VAL A 64 73.967 8.876 0.704 1.00 1.54 O ATOM 985 CB VAL A 64 72.697 7.708 3.538 1.00 1.23 C ATOM 986 CG1 VAL A 64 71.325 7.610 2.863 1.00 2.24 C ATOM 987 CG2 VAL A 64 73.518 6.461 3.206 1.00 1.42 C ATOM 0 H VAL A 64 71.902 10.261 3.737 1.00 0.92 H new ATOM 0 HA VAL A 64 74.522 8.844 3.148 1.00 1.07 H new ATOM 0 HB VAL A 64 72.557 7.781 4.616 1.00 1.23 H new ATOM 0 HG11 VAL A 64 70.806 6.721 3.221 1.00 2.24 H new ATOM 0 HG12 VAL A 64 70.737 8.496 3.104 1.00 2.24 H new ATOM 0 HG13 VAL A 64 71.455 7.544 1.783 1.00 2.24 H new ATOM 0 HG21 VAL A 64 72.990 5.574 3.556 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.661 6.396 2.127 1.00 1.42 H new ATOM 0 HG23 VAL A 64 74.489 6.523 3.698 1.00 1.42 H new ATOM 997 N ASP A 65 72.051 9.801 1.251 1.00 1.00 N ATOM 998 CA ASP A 65 71.721 10.082 -0.176 1.00 1.14 C ATOM 999 C ASP A 65 72.231 11.470 -0.576 1.00 1.45 C ATOM 1000 O ASP A 65 71.511 12.447 -0.518 1.00 1.74 O ATOM 1001 CB ASP A 65 70.194 10.036 -0.243 1.00 1.21 C ATOM 1002 CG ASP A 65 69.732 8.585 -0.396 1.00 2.09 C ATOM 1003 OD1 ASP A 65 70.363 7.859 -1.147 1.00 2.83 O ATOM 1004 OD2 ASP A 65 68.756 8.225 0.241 1.00 2.63 O ATOM 0 H ASP A 65 71.348 10.102 1.926 1.00 1.00 H new ATOM 0 HA ASP A 65 72.184 9.366 -0.855 1.00 1.14 H new ATOM 0 HB2 ASP A 65 69.767 10.471 0.660 1.00 1.21 H new ATOM 0 HB3 ASP A 65 69.838 10.632 -1.083 1.00 1.21 H new ATOM 1009 N GLU A 66 73.468 11.564 -0.984 1.00 1.86 N ATOM 1010 CA GLU A 66 74.019 12.889 -1.389 1.00 2.47 C ATOM 1011 C GLU A 66 73.297 13.403 -2.636 1.00 2.75 C ATOM 1012 O GLU A 66 72.980 14.571 -2.744 1.00 3.27 O ATOM 1013 CB GLU A 66 75.495 12.628 -1.690 1.00 3.01 C ATOM 1014 CG GLU A 66 76.235 12.325 -0.386 1.00 3.52 C ATOM 1015 CD GLU A 66 76.017 13.471 0.604 1.00 4.01 C ATOM 1016 OE1 GLU A 66 76.628 14.509 0.421 1.00 4.48 O ATOM 1017 OE2 GLU A 66 75.242 13.288 1.528 1.00 4.34 O ATOM 0 H GLU A 66 74.119 10.782 -1.054 1.00 1.86 H new ATOM 0 HA GLU A 66 73.889 13.645 -0.615 1.00 2.47 H new ATOM 0 HB2 GLU A 66 75.594 11.790 -2.380 1.00 3.01 H new ATOM 0 HB3 GLU A 66 75.937 13.497 -2.178 1.00 3.01 H new ATOM 0 HG2 GLU A 66 75.874 11.389 0.040 1.00 3.52 H new ATOM 0 HG3 GLU A 66 77.300 12.197 -0.581 1.00 3.52 H new ATOM 1024 N ASP A 67 73.032 12.539 -3.578 1.00 2.74 N ATOM 1025 CA ASP A 67 72.328 12.979 -4.816 1.00 3.19 C ATOM 1026 C ASP A 67 70.985 12.255 -4.942 1.00 2.83 C ATOM 1027 O ASP A 67 70.315 12.340 -5.952 1.00 3.27 O ATOM 1028 CB ASP A 67 73.259 12.588 -5.965 1.00 4.15 C ATOM 1029 CG ASP A 67 72.996 13.497 -7.166 1.00 4.87 C ATOM 1030 OD1 ASP A 67 72.394 14.541 -6.974 1.00 5.28 O ATOM 1031 OD2 ASP A 67 73.400 13.134 -8.258 1.00 5.31 O ATOM 0 H ASP A 67 73.272 11.548 -3.544 1.00 2.74 H new ATOM 0 HA ASP A 67 72.115 14.048 -4.813 1.00 3.19 H new ATOM 0 HB2 ASP A 67 74.299 12.675 -5.650 1.00 4.15 H new ATOM 0 HB3 ASP A 67 73.096 11.546 -6.241 1.00 4.15 H new ATOM 1036 N GLY A 68 70.586 11.545 -3.924 1.00 2.35 N ATOM 1037 CA GLY A 68 69.287 10.818 -3.986 1.00 2.67 C ATOM 1038 C GLY A 68 68.175 11.793 -4.372 1.00 2.07 C ATOM 1039 O GLY A 68 67.233 11.437 -5.052 1.00 2.77 O ATOM 0 H GLY A 68 71.103 11.437 -3.052 1.00 2.35 H new ATOM 0 HA2 GLY A 68 69.345 10.009 -4.714 1.00 2.67 H new ATOM 0 HA3 GLY A 68 69.067 10.362 -3.021 1.00 2.67 H new ATOM 1043 N SER A 69 68.276 13.022 -3.945 1.00 1.42 N ATOM 1044 CA SER A 69 67.225 14.021 -4.290 1.00 1.79 C ATOM 1045 C SER A 69 65.841 13.493 -3.899 1.00 1.42 C ATOM 1046 O SER A 69 64.882 13.637 -4.630 1.00 1.97 O ATOM 1047 CB SER A 69 67.325 14.190 -5.805 1.00 2.79 C ATOM 1048 OG SER A 69 67.623 15.546 -6.108 1.00 3.72 O ATOM 0 H SER A 69 69.041 13.378 -3.372 1.00 1.42 H new ATOM 0 HA SER A 69 67.364 14.965 -3.763 1.00 1.79 H new ATOM 0 HB2 SER A 69 68.101 13.537 -6.205 1.00 2.79 H new ATOM 0 HB3 SER A 69 66.387 13.897 -6.278 1.00 2.79 H new ATOM 0 HG SER A 69 67.689 15.657 -7.079 1.00 3.72 H new ATOM 1054 N GLY A 70 65.731 12.884 -2.749 1.00 1.01 N ATOM 1055 CA GLY A 70 64.409 12.349 -2.314 1.00 1.07 C ATOM 1056 C GLY A 70 64.175 10.976 -2.947 1.00 0.84 C ATOM 1057 O GLY A 70 63.107 10.409 -2.844 1.00 0.87 O ATOM 0 H GLY A 70 66.498 12.734 -2.093 1.00 1.01 H new ATOM 0 HA2 GLY A 70 64.378 12.269 -1.227 1.00 1.07 H new ATOM 0 HA3 GLY A 70 63.614 13.035 -2.606 1.00 1.07 H new ATOM 1061 N THR A 71 65.168 10.436 -3.601 1.00 0.70 N ATOM 1062 CA THR A 71 64.999 9.098 -4.238 1.00 0.55 C ATOM 1063 C THR A 71 66.297 8.292 -4.128 1.00 0.54 C ATOM 1064 O THR A 71 67.379 8.811 -4.320 1.00 0.72 O ATOM 1065 CB THR A 71 64.673 9.394 -5.703 1.00 0.60 C ATOM 1066 OG1 THR A 71 65.741 10.128 -6.285 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.384 10.212 -5.785 1.00 0.81 C ATOM 0 H THR A 71 66.087 10.862 -3.722 1.00 0.70 H new ATOM 0 HA THR A 71 64.218 8.508 -3.759 1.00 0.55 H new ATOM 0 HB THR A 71 64.540 8.457 -6.243 1.00 0.60 H new ATOM 0 HG1 THR A 71 66.438 10.279 -5.613 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.152 10.422 -6.829 1.00 0.81 H new ATOM 0 HG22 THR A 71 62.566 9.647 -5.339 1.00 0.81 H new ATOM 0 HG23 THR A 71 63.514 11.150 -5.246 1.00 0.81 H new ATOM 1075 N VAL A 72 66.197 7.029 -3.820 1.00 0.52 N ATOM 1076 CA VAL A 72 67.427 6.192 -3.697 1.00 0.65 C ATOM 1077 C VAL A 72 67.524 5.188 -4.845 1.00 0.56 C ATOM 1078 O VAL A 72 66.534 4.781 -5.419 1.00 0.57 O ATOM 1079 CB VAL A 72 67.301 5.442 -2.367 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.760 6.348 -1.230 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.848 5.019 -2.129 1.00 1.23 C ATOM 0 H VAL A 72 65.319 6.539 -3.648 1.00 0.52 H new ATOM 0 HA VAL A 72 68.321 6.814 -3.734 1.00 0.65 H new ATOM 0 HB VAL A 72 67.926 4.549 -2.404 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.671 5.816 -0.283 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.800 6.634 -1.390 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.138 7.243 -1.204 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.775 4.487 -1.180 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.212 5.904 -2.099 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.522 4.365 -2.938 1.00 1.23 H new ATOM 1091 N ASP A 73 68.717 4.774 -5.163 1.00 0.64 N ATOM 1092 CA ASP A 73 68.904 3.778 -6.252 1.00 0.70 C ATOM 1093 C ASP A 73 69.445 2.480 -5.653 1.00 0.70 C ATOM 1094 O ASP A 73 69.644 2.380 -4.458 1.00 0.71 O ATOM 1095 CB ASP A 73 69.928 4.407 -7.199 1.00 0.85 C ATOM 1096 CG ASP A 73 71.213 4.711 -6.429 1.00 1.25 C ATOM 1097 OD1 ASP A 73 71.242 4.452 -5.237 1.00 1.91 O ATOM 1098 OD2 ASP A 73 72.148 5.200 -7.043 1.00 1.72 O ATOM 0 H ASP A 73 69.577 5.085 -4.712 1.00 0.64 H new ATOM 0 HA ASP A 73 67.977 3.539 -6.774 1.00 0.70 H new ATOM 0 HB2 ASP A 73 70.139 3.729 -8.026 1.00 0.85 H new ATOM 0 HB3 ASP A 73 69.525 5.323 -7.632 1.00 0.85 H new ATOM 1103 N PHE A 74 69.689 1.485 -6.457 1.00 0.81 N ATOM 1104 CA PHE A 74 70.218 0.208 -5.902 1.00 0.87 C ATOM 1105 C PHE A 74 71.563 0.454 -5.214 1.00 0.76 C ATOM 1106 O PHE A 74 72.050 -0.374 -4.469 1.00 0.74 O ATOM 1107 CB PHE A 74 70.388 -0.717 -7.108 1.00 1.04 C ATOM 1108 CG PHE A 74 70.031 -2.134 -6.721 1.00 1.34 C ATOM 1109 CD1 PHE A 74 70.072 -2.529 -5.377 1.00 2.11 C ATOM 1110 CD2 PHE A 74 69.660 -3.055 -7.709 1.00 2.16 C ATOM 1111 CE1 PHE A 74 69.742 -3.843 -5.023 1.00 3.02 C ATOM 1112 CE2 PHE A 74 69.330 -4.369 -7.354 1.00 3.14 C ATOM 1113 CZ PHE A 74 69.372 -4.762 -6.011 1.00 3.42 C ATOM 0 H PHE A 74 69.547 1.499 -7.467 1.00 0.81 H new ATOM 0 HA PHE A 74 69.552 -0.225 -5.156 1.00 0.87 H new ATOM 0 HB2 PHE A 74 69.751 -0.383 -7.927 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.416 -0.676 -7.467 1.00 1.04 H new ATOM 0 HD1 PHE A 74 70.358 -1.820 -4.614 1.00 2.11 H new ATOM 0 HD2 PHE A 74 69.628 -2.752 -8.745 1.00 2.16 H new ATOM 0 HE1 PHE A 74 69.773 -4.147 -3.987 1.00 3.02 H new ATOM 0 HE2 PHE A 74 69.043 -5.079 -8.116 1.00 3.14 H new ATOM 0 HZ PHE A 74 69.119 -5.776 -5.737 1.00 3.42 H new ATOM 1123 N ASP A 75 72.164 1.586 -5.453 1.00 0.79 N ATOM 1124 CA ASP A 75 73.475 1.884 -4.808 1.00 0.78 C ATOM 1125 C ASP A 75 73.250 2.445 -3.401 1.00 0.71 C ATOM 1126 O ASP A 75 73.883 2.032 -2.449 1.00 0.67 O ATOM 1127 CB ASP A 75 74.132 2.933 -5.707 1.00 0.96 C ATOM 1128 CG ASP A 75 75.525 2.452 -6.116 1.00 1.50 C ATOM 1129 OD1 ASP A 75 76.449 2.653 -5.346 1.00 1.99 O ATOM 1130 OD2 ASP A 75 75.643 1.890 -7.193 1.00 2.18 O ATOM 0 H ASP A 75 71.805 2.318 -6.066 1.00 0.79 H new ATOM 0 HA ASP A 75 74.097 0.995 -4.702 1.00 0.78 H new ATOM 0 HB2 ASP A 75 73.520 3.104 -6.593 1.00 0.96 H new ATOM 0 HB3 ASP A 75 74.204 3.885 -5.181 1.00 0.96 H new ATOM 1135 N GLU A 76 72.351 3.380 -3.261 1.00 0.74 N ATOM 1136 CA GLU A 76 72.085 3.962 -1.915 1.00 0.72 C ATOM 1137 C GLU A 76 71.230 2.999 -1.087 1.00 0.61 C ATOM 1138 O GLU A 76 71.569 2.655 0.028 1.00 0.60 O ATOM 1139 CB GLU A 76 71.324 5.260 -2.186 1.00 0.82 C ATOM 1140 CG GLU A 76 72.224 6.230 -2.958 1.00 0.96 C ATOM 1141 CD GLU A 76 73.535 6.425 -2.196 1.00 1.36 C ATOM 1142 OE1 GLU A 76 74.444 5.639 -2.408 1.00 2.01 O ATOM 1143 OE2 GLU A 76 73.609 7.359 -1.414 1.00 2.14 O ATOM 0 H GLU A 76 71.789 3.766 -4.020 1.00 0.74 H new ATOM 0 HA GLU A 76 73.001 4.140 -1.352 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.421 5.051 -2.759 1.00 0.82 H new ATOM 0 HB3 GLU A 76 71.008 5.711 -1.246 1.00 0.82 H new ATOM 0 HG2 GLU A 76 72.425 5.840 -3.956 1.00 0.96 H new ATOM 0 HG3 GLU A 76 71.719 7.188 -3.086 1.00 0.96 H new ATOM 1150 N PHE A 77 70.124 2.558 -1.624 1.00 0.60 N ATOM 1151 CA PHE A 77 69.253 1.615 -0.864 1.00 0.54 C ATOM 1152 C PHE A 77 70.108 0.543 -0.179 1.00 0.48 C ATOM 1153 O PHE A 77 70.051 0.365 1.022 1.00 0.55 O ATOM 1154 CB PHE A 77 68.342 0.982 -1.916 1.00 0.61 C ATOM 1155 CG PHE A 77 67.396 0.012 -1.250 1.00 0.67 C ATOM 1156 CD1 PHE A 77 66.870 0.302 0.014 1.00 1.52 C ATOM 1157 CD2 PHE A 77 67.046 -1.180 -1.897 1.00 1.30 C ATOM 1158 CE1 PHE A 77 65.993 -0.598 0.631 1.00 1.78 C ATOM 1159 CE2 PHE A 77 66.169 -2.080 -1.281 1.00 1.38 C ATOM 1160 CZ PHE A 77 65.643 -1.789 -0.016 1.00 1.25 C ATOM 0 H PHE A 77 69.787 2.809 -2.553 1.00 0.60 H new ATOM 0 HA PHE A 77 68.684 2.117 -0.081 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.778 1.756 -2.436 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.940 0.465 -2.666 1.00 0.61 H new ATOM 0 HD1 PHE A 77 67.141 1.220 0.514 1.00 1.52 H new ATOM 0 HD2 PHE A 77 67.453 -1.405 -2.872 1.00 1.30 H new ATOM 0 HE1 PHE A 77 65.586 -0.373 1.606 1.00 1.78 H new ATOM 0 HE2 PHE A 77 65.898 -2.998 -1.781 1.00 1.38 H new ATOM 0 HZ PHE A 77 64.967 -2.484 0.460 1.00 1.25 H new ATOM 1170 N LEU A 78 70.898 -0.170 -0.933 1.00 0.46 N ATOM 1171 CA LEU A 78 71.756 -1.228 -0.326 1.00 0.49 C ATOM 1172 C LEU A 78 72.548 -0.656 0.852 1.00 0.48 C ATOM 1173 O LEU A 78 72.641 -1.260 1.902 1.00 0.54 O ATOM 1174 CB LEU A 78 72.701 -1.666 -1.446 1.00 0.56 C ATOM 1175 CG LEU A 78 72.048 -2.783 -2.261 1.00 0.78 C ATOM 1176 CD1 LEU A 78 72.776 -2.934 -3.598 1.00 1.70 C ATOM 1177 CD2 LEU A 78 72.136 -4.099 -1.483 1.00 0.70 C ATOM 0 H LEU A 78 70.987 -0.066 -1.944 1.00 0.46 H new ATOM 0 HA LEU A 78 71.170 -2.062 0.061 1.00 0.49 H new ATOM 0 HB2 LEU A 78 72.933 -0.819 -2.092 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.644 -2.013 -1.025 1.00 0.56 H new ATOM 0 HG LEU A 78 71.002 -2.535 -2.443 1.00 0.78 H new ATOM 0 HD11 LEU A 78 72.310 -3.730 -4.178 1.00 1.70 H new ATOM 0 HD12 LEU A 78 72.716 -1.998 -4.153 1.00 1.70 H new ATOM 0 HD13 LEU A 78 73.822 -3.182 -3.417 1.00 1.70 H new ATOM 0 HD21 LEU A 78 71.671 -4.896 -2.063 1.00 0.70 H new ATOM 0 HD22 LEU A 78 73.182 -4.345 -1.302 1.00 0.70 H new ATOM 0 HD23 LEU A 78 71.618 -3.994 -0.530 1.00 0.70 H new ATOM 1189 N VAL A 79 73.122 0.504 0.686 1.00 0.46 N ATOM 1190 CA VAL A 79 73.909 1.114 1.796 1.00 0.51 C ATOM 1191 C VAL A 79 72.995 1.425 2.985 1.00 0.53 C ATOM 1192 O VAL A 79 73.401 1.354 4.127 1.00 0.64 O ATOM 1193 CB VAL A 79 74.485 2.404 1.212 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.453 3.032 2.216 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.232 2.086 -0.086 1.00 0.62 C ATOM 0 H VAL A 79 73.080 1.056 -0.171 1.00 0.46 H new ATOM 0 HA VAL A 79 74.690 0.448 2.162 1.00 0.51 H new ATOM 0 HB VAL A 79 73.674 3.102 1.004 1.00 0.54 H new ATOM 0 HG11 VAL A 79 75.863 3.952 1.799 1.00 0.67 H new ATOM 0 HG12 VAL A 79 74.922 3.258 3.141 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.264 2.334 2.424 1.00 0.67 H new ATOM 0 HG21 VAL A 79 75.643 3.005 -0.504 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.042 1.388 0.122 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.543 1.639 -0.802 1.00 0.62 H new ATOM 1205 N MET A 80 71.765 1.772 2.724 1.00 0.52 N ATOM 1206 CA MET A 80 70.828 2.090 3.840 1.00 0.60 C ATOM 1207 C MET A 80 70.377 0.803 4.538 1.00 0.62 C ATOM 1208 O MET A 80 70.109 0.791 5.723 1.00 0.71 O ATOM 1209 CB MET A 80 69.640 2.782 3.172 1.00 0.66 C ATOM 1210 CG MET A 80 70.103 4.095 2.541 1.00 1.11 C ATOM 1211 SD MET A 80 68.947 4.577 1.235 1.00 1.23 S ATOM 1212 CE MET A 80 67.905 5.659 2.244 1.00 0.86 C ATOM 0 H MET A 80 71.368 1.849 1.788 1.00 0.52 H new ATOM 0 HA MET A 80 71.291 2.717 4.602 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.209 2.133 2.410 1.00 0.66 H new ATOM 0 HB3 MET A 80 68.858 2.975 3.906 1.00 0.66 H new ATOM 0 HG2 MET A 80 70.158 4.876 3.299 1.00 1.11 H new ATOM 0 HG3 MET A 80 71.106 3.979 2.129 1.00 1.11 H new ATOM 0 HE1 MET A 80 66.996 5.905 1.695 1.00 0.86 H new ATOM 0 HE2 MET A 80 67.642 5.150 3.171 1.00 0.86 H new ATOM 0 HE3 MET A 80 68.448 6.575 2.475 1.00 0.86 H new ATOM 1222 N MET A 81 70.290 -0.278 3.814 1.00 0.61 N ATOM 1223 CA MET A 81 69.855 -1.561 4.439 1.00 0.72 C ATOM 1224 C MET A 81 70.994 -2.159 5.268 1.00 0.79 C ATOM 1225 O MET A 81 70.824 -2.497 6.423 1.00 0.91 O ATOM 1226 CB MET A 81 69.510 -2.477 3.264 1.00 0.75 C ATOM 1227 CG MET A 81 68.024 -2.336 2.928 1.00 1.01 C ATOM 1228 SD MET A 81 67.031 -2.910 4.328 1.00 1.71 S ATOM 1229 CE MET A 81 66.520 -4.491 3.609 1.00 1.66 C ATOM 0 H MET A 81 70.501 -0.330 2.817 1.00 0.61 H new ATOM 0 HA MET A 81 69.009 -1.426 5.113 1.00 0.72 H new ATOM 0 HB2 MET A 81 70.116 -2.218 2.396 1.00 0.75 H new ATOM 0 HB3 MET A 81 69.740 -3.512 3.516 1.00 0.75 H new ATOM 0 HG2 MET A 81 67.788 -1.296 2.704 1.00 1.01 H new ATOM 0 HG3 MET A 81 67.785 -2.916 2.037 1.00 1.01 H new ATOM 0 HE1 MET A 81 65.526 -4.752 3.973 1.00 1.66 H new ATOM 0 HE2 MET A 81 66.497 -4.406 2.523 1.00 1.66 H new ATOM 0 HE3 MET A 81 67.228 -5.268 3.898 1.00 1.66 H new ATOM 1239 N VAL A 82 72.156 -2.292 4.689 1.00 0.78 N ATOM 1240 CA VAL A 82 73.305 -2.868 5.444 1.00 0.90 C ATOM 1241 C VAL A 82 73.642 -1.986 6.649 1.00 0.94 C ATOM 1242 O VAL A 82 74.304 -2.411 7.576 1.00 1.13 O ATOM 1243 CB VAL A 82 74.463 -2.882 4.448 1.00 0.98 C ATOM 1244 CG1 VAL A 82 74.083 -3.733 3.235 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.759 -1.452 3.994 1.00 1.38 C ATOM 0 H VAL A 82 72.359 -2.027 3.725 1.00 0.78 H new ATOM 0 HA VAL A 82 73.088 -3.863 5.832 1.00 0.90 H new ATOM 0 HB VAL A 82 75.348 -3.304 4.924 1.00 0.98 H new ATOM 0 HG11 VAL A 82 74.909 -3.743 2.524 1.00 1.83 H new ATOM 0 HG12 VAL A 82 73.870 -4.752 3.558 1.00 1.83 H new ATOM 0 HG13 VAL A 82 73.199 -3.311 2.757 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.585 -1.460 3.283 1.00 1.38 H new ATOM 0 HG22 VAL A 82 73.874 -1.031 3.517 1.00 1.38 H new ATOM 0 HG23 VAL A 82 75.029 -0.845 4.858 1.00 1.38 H new ATOM 1255 N ARG A 83 73.191 -0.762 6.645 1.00 0.84 N ATOM 1256 CA ARG A 83 73.486 0.146 7.791 1.00 0.93 C ATOM 1257 C ARG A 83 72.550 -0.162 8.963 1.00 0.93 C ATOM 1258 O ARG A 83 72.953 -0.159 10.109 1.00 1.23 O ATOM 1259 CB ARG A 83 73.230 1.555 7.256 1.00 0.95 C ATOM 1260 CG ARG A 83 73.735 2.585 8.267 1.00 1.53 C ATOM 1261 CD ARG A 83 75.260 2.504 8.360 1.00 1.50 C ATOM 1262 NE ARG A 83 75.526 1.576 9.494 1.00 1.75 N ATOM 1263 CZ ARG A 83 76.723 1.501 10.011 1.00 2.02 C ATOM 1264 NH1 ARG A 83 77.770 1.506 9.232 1.00 2.58 N ATOM 1265 NH2 ARG A 83 76.873 1.422 11.304 1.00 2.44 N ATOM 0 H ARG A 83 72.631 -0.351 5.898 1.00 0.84 H new ATOM 0 HA ARG A 83 74.505 0.029 8.159 1.00 0.93 H new ATOM 0 HB2 ARG A 83 73.736 1.690 6.300 1.00 0.95 H new ATOM 0 HB3 ARG A 83 72.165 1.699 7.076 1.00 0.95 H new ATOM 0 HG2 ARG A 83 73.431 3.587 7.964 1.00 1.53 H new ATOM 0 HG3 ARG A 83 73.290 2.399 9.245 1.00 1.53 H new ATOM 0 HD2 ARG A 83 75.693 2.129 7.433 1.00 1.50 H new ATOM 0 HD3 ARG A 83 75.697 3.486 8.542 1.00 1.50 H new ATOM 0 HE ARG A 83 74.773 0.998 9.867 1.00 1.75 H new ATOM 0 HH11 ARG A 83 77.653 1.568 8.221 1.00 2.58 H new ATOM 0 HH12 ARG A 83 78.705 1.448 9.634 1.00 2.58 H new ATOM 0 HH21 ARG A 83 76.055 1.419 11.913 1.00 2.44 H new ATOM 0 HH22 ARG A 83 77.809 1.363 11.706 1.00 2.44 H new ATOM 1279 N CYS A 84 71.304 -0.431 8.685 1.00 0.81 N ATOM 1280 CA CYS A 84 70.344 -0.740 9.784 1.00 0.94 C ATOM 1281 C CYS A 84 70.061 -2.244 9.828 1.00 1.01 C ATOM 1282 O CYS A 84 69.246 -2.709 10.600 1.00 1.67 O ATOM 1283 CB CYS A 84 69.075 0.035 9.430 1.00 1.20 C ATOM 1284 SG CYS A 84 68.081 0.280 10.923 1.00 1.56 S ATOM 0 H CYS A 84 70.909 -0.450 7.745 1.00 0.81 H new ATOM 0 HA CYS A 84 70.731 -0.460 10.764 1.00 0.94 H new ATOM 0 HB2 CYS A 84 69.335 0.998 8.991 1.00 1.20 H new ATOM 0 HB3 CYS A 84 68.499 -0.511 8.682 1.00 1.20 H new ATOM 0 HG CYS A 84 68.024 -0.832 11.594 1.00 1.56 H new ATOM 1290 N MET A 85 70.729 -3.008 9.008 1.00 1.25 N ATOM 1291 CA MET A 85 70.499 -4.480 9.006 1.00 1.43 C ATOM 1292 C MET A 85 70.514 -5.017 10.439 1.00 1.78 C ATOM 1293 O MET A 85 69.586 -5.666 10.880 1.00 2.66 O ATOM 1294 CB MET A 85 71.661 -5.063 8.200 1.00 1.49 C ATOM 1295 CG MET A 85 71.120 -5.730 6.935 1.00 1.71 C ATOM 1296 SD MET A 85 72.429 -6.716 6.166 1.00 1.93 S ATOM 1297 CE MET A 85 71.352 -7.874 5.285 1.00 1.59 C ATOM 0 H MET A 85 71.424 -2.676 8.339 1.00 1.25 H new ATOM 0 HA MET A 85 69.533 -4.748 8.577 1.00 1.43 H new ATOM 0 HB2 MET A 85 72.366 -4.275 7.935 1.00 1.49 H new ATOM 0 HB3 MET A 85 72.207 -5.789 8.802 1.00 1.49 H new ATOM 0 HG2 MET A 85 70.269 -6.365 7.181 1.00 1.71 H new ATOM 0 HG3 MET A 85 70.762 -4.973 6.237 1.00 1.71 H new ATOM 0 HE1 MET A 85 71.961 -8.588 4.731 1.00 1.59 H new ATOM 0 HE2 MET A 85 70.729 -8.408 6.002 1.00 1.59 H new ATOM 0 HE3 MET A 85 70.717 -7.324 4.591 1.00 1.59 H new ATOM 1307 N LYS A 86 71.562 -4.750 11.169 1.00 1.64 N ATOM 1308 CA LYS A 86 71.636 -5.243 12.575 1.00 2.09 C ATOM 1309 C LYS A 86 71.565 -4.064 13.550 1.00 1.80 C ATOM 1310 O LYS A 86 72.486 -3.280 13.658 1.00 2.13 O ATOM 1311 CB LYS A 86 72.991 -5.945 12.677 1.00 2.91 C ATOM 1312 CG LYS A 86 72.793 -7.358 13.229 1.00 3.84 C ATOM 1313 CD LYS A 86 73.976 -7.726 14.128 1.00 4.67 C ATOM 1314 CE LYS A 86 74.253 -9.227 14.021 1.00 5.16 C ATOM 1315 NZ LYS A 86 75.075 -9.553 15.220 1.00 6.26 N ATOM 0 H LYS A 86 72.370 -4.213 10.854 1.00 1.64 H new ATOM 0 HA LYS A 86 70.812 -5.912 12.824 1.00 2.09 H new ATOM 0 HB2 LYS A 86 73.464 -5.989 11.696 1.00 2.91 H new ATOM 0 HB3 LYS A 86 73.658 -5.379 13.328 1.00 2.91 H new ATOM 0 HG2 LYS A 86 71.863 -7.412 13.794 1.00 3.84 H new ATOM 0 HG3 LYS A 86 72.710 -8.072 12.409 1.00 3.84 H new ATOM 0 HD2 LYS A 86 74.860 -7.161 13.833 1.00 4.67 H new ATOM 0 HD3 LYS A 86 73.757 -7.459 15.162 1.00 4.67 H new ATOM 0 HE2 LYS A 86 73.326 -9.800 14.010 1.00 5.16 H new ATOM 0 HE3 LYS A 86 74.786 -9.466 13.100 1.00 5.16 H new ATOM 0 HZ1 LYS A 86 75.306 -10.567 15.218 1.00 6.26 H new ATOM 0 HZ2 LYS A 86 75.954 -8.998 15.200 1.00 6.26 H new ATOM 0 HZ3 LYS A 86 74.540 -9.322 16.081 1.00 6.26 H new ATOM 1329 N ASP A 87 70.477 -3.932 14.259 1.00 2.28 N ATOM 1330 CA ASP A 87 70.349 -2.802 15.224 1.00 2.97 C ATOM 1331 C ASP A 87 70.607 -3.291 16.652 1.00 3.59 C ATOM 1332 O ASP A 87 69.696 -3.441 17.442 1.00 4.32 O ATOM 1333 CB ASP A 87 68.906 -2.317 15.076 1.00 3.76 C ATOM 1334 CG ASP A 87 68.795 -1.413 13.846 1.00 4.49 C ATOM 1335 OD1 ASP A 87 68.666 -1.944 12.755 1.00 4.78 O ATOM 1336 OD2 ASP A 87 68.840 -0.206 14.015 1.00 5.14 O ATOM 0 H ASP A 87 69.672 -4.557 14.212 1.00 2.28 H new ATOM 0 HA ASP A 87 71.069 -2.008 15.027 1.00 2.97 H new ATOM 0 HB2 ASP A 87 68.233 -3.169 14.976 1.00 3.76 H new ATOM 0 HB3 ASP A 87 68.601 -1.772 15.969 1.00 3.76 H new ATOM 1341 N ASP A 88 71.843 -3.538 16.990 1.00 3.80 N ATOM 1342 CA ASP A 88 72.159 -4.015 18.368 1.00 4.81 C ATOM 1343 C ASP A 88 73.649 -3.827 18.664 1.00 5.29 C ATOM 1344 O ASP A 88 74.031 -3.429 19.746 1.00 5.56 O ATOM 1345 CB ASP A 88 71.797 -5.501 18.365 1.00 5.52 C ATOM 1346 CG ASP A 88 71.624 -5.987 19.805 1.00 6.22 C ATOM 1347 OD1 ASP A 88 70.781 -5.440 20.497 1.00 6.55 O ATOM 1348 OD2 ASP A 88 72.338 -6.897 20.192 1.00 6.70 O ATOM 0 H ASP A 88 72.648 -3.430 16.373 1.00 3.80 H new ATOM 0 HA ASP A 88 71.611 -3.463 19.132 1.00 4.81 H new ATOM 0 HB2 ASP A 88 70.877 -5.661 17.803 1.00 5.52 H new ATOM 0 HB3 ASP A 88 72.578 -6.076 17.867 1.00 5.52 H new ATOM 1353 N SER A 89 74.495 -4.110 17.711 1.00 5.81 N ATOM 1354 CA SER A 89 75.959 -3.946 17.939 1.00 6.66 C ATOM 1355 C SER A 89 76.407 -4.795 19.133 1.00 7.11 C ATOM 1356 O SER A 89 76.639 -5.976 18.941 1.00 7.53 O ATOM 1357 CB SER A 89 76.149 -2.459 18.237 1.00 7.31 C ATOM 1358 OG SER A 89 77.454 -2.064 17.837 1.00 7.59 O ATOM 1359 OXT SER A 89 76.511 -4.246 20.218 1.00 7.31 O ATOM 0 H SER A 89 74.235 -4.448 16.784 1.00 5.81 H new ATOM 0 HA SER A 89 76.549 -4.268 17.081 1.00 6.66 H new ATOM 0 HB2 SER A 89 75.400 -1.871 17.707 1.00 7.31 H new ATOM 0 HB3 SER A 89 76.009 -2.269 19.301 1.00 7.31 H new ATOM 0 HG SER A 89 77.579 -1.110 18.025 1.00 7.59 H new TER 1365 SER A 89