USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 525 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 63 TYR OH : rot 165:sc= 0.891 USER MOD Set 1.2: A 70 GLN : amide:sc= 0.559 X(o=1.5,f=1.1) USER MOD Set 2.1: A 57 THR OG1 : rot -43:sc= 0.451 USER MOD Set 2.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 54 SER OG : rot -53:sc= 0.923 USER MOD Set 3.2: A 55 LYS NZ :NH3+ 165:sc= 0.385 (180deg=0.0496) USER MOD Set 4.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 31 THR OG1 : rot -17:sc= -0.0579 USER MOD Single : A 13 THR OG1 : rot -36:sc= -0.724 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0387 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -79:sc= 1.17 USER MOD Single : A 24 SER OG : rot 91:sc= 1.19 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -159:sc=-0.00895 (180deg=-0.0327) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 35 ASN : amide:sc= -0.0415 K(o=-0.041,f=-1.3) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 1.36 (180deg=1.21) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -75:sc= -0.504 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 84:sc= 0.222 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 78.583 -7.560 -10.627 1.00 0.00 N ATOM 2 CA THR A 13 78.931 -6.116 -10.677 1.00 0.00 C ATOM 3 C THR A 13 79.766 -5.789 -11.908 1.00 0.00 C ATOM 4 O THR A 13 80.663 -6.544 -12.283 1.00 0.00 O ATOM 5 CB THR A 13 79.704 -5.755 -9.409 1.00 0.00 C ATOM 6 OG1 THR A 13 80.913 -6.489 -9.332 1.00 0.00 O ATOM 7 CG2 THR A 13 78.926 -6.016 -8.137 1.00 0.00 C ATOM 0 HA THR A 13 78.012 -5.533 -10.739 1.00 0.00 H new ATOM 0 HB THR A 13 79.896 -4.685 -9.484 1.00 0.00 H new ATOM 0 HG1 THR A 13 80.770 -7.392 -9.684 1.00 0.00 H new ATOM 0 HG21 THR A 13 79.533 -5.738 -7.276 1.00 0.00 H new ATOM 0 HG22 THR A 13 78.011 -5.424 -8.142 1.00 0.00 H new ATOM 0 HG23 THR A 13 78.673 -7.074 -8.076 1.00 0.00 H new ATOM 15 N PHE A 14 79.470 -4.652 -12.525 1.00 0.00 N ATOM 16 CA PHE A 14 80.195 -4.213 -13.711 1.00 0.00 C ATOM 17 C PHE A 14 81.060 -3.003 -13.383 1.00 0.00 C ATOM 18 O PHE A 14 82.169 -2.859 -13.896 1.00 0.00 O ATOM 19 CB PHE A 14 79.219 -3.872 -14.839 1.00 0.00 C ATOM 20 CG PHE A 14 79.692 -4.313 -16.196 1.00 0.00 C ATOM 21 CD1 PHE A 14 80.625 -3.565 -16.894 1.00 0.00 C ATOM 22 CD2 PHE A 14 79.204 -5.475 -16.770 1.00 0.00 C ATOM 23 CE1 PHE A 14 81.063 -3.967 -18.142 1.00 0.00 C ATOM 24 CE2 PHE A 14 79.638 -5.884 -18.017 1.00 0.00 C ATOM 25 CZ PHE A 14 80.568 -5.129 -18.704 1.00 0.00 C ATOM 0 H PHE A 14 78.732 -4.016 -12.223 1.00 0.00 H new ATOM 0 HA PHE A 14 80.840 -5.027 -14.043 1.00 0.00 H new ATOM 0 HB2 PHE A 14 78.257 -4.339 -14.629 1.00 0.00 H new ATOM 0 HB3 PHE A 14 79.055 -2.795 -14.853 1.00 0.00 H new ATOM 0 HD1 PHE A 14 81.015 -2.657 -16.458 1.00 0.00 H new ATOM 0 HD2 PHE A 14 78.476 -6.069 -16.237 1.00 0.00 H new ATOM 0 HE1 PHE A 14 81.790 -3.374 -18.677 1.00 0.00 H new ATOM 0 HE2 PHE A 14 79.250 -6.793 -18.453 1.00 0.00 H new ATOM 0 HZ PHE A 14 80.908 -5.446 -19.679 1.00 0.00 H new ATOM 35 N LEU A 15 80.544 -2.140 -12.513 1.00 0.00 N ATOM 36 CA LEU A 15 81.268 -0.947 -12.102 1.00 0.00 C ATOM 37 C LEU A 15 82.222 -1.269 -10.957 1.00 0.00 C ATOM 38 O LEU A 15 83.247 -0.610 -10.786 1.00 0.00 O ATOM 39 CB LEU A 15 80.289 0.150 -11.676 1.00 0.00 C ATOM 40 CG LEU A 15 79.496 -0.149 -10.403 1.00 0.00 C ATOM 41 CD1 LEU A 15 80.271 0.297 -9.173 1.00 0.00 C ATOM 42 CD2 LEU A 15 78.135 0.529 -10.453 1.00 0.00 C ATOM 0 H LEU A 15 79.627 -2.247 -12.080 1.00 0.00 H new ATOM 0 HA LEU A 15 81.850 -0.589 -12.951 1.00 0.00 H new ATOM 0 HB2 LEU A 15 80.845 1.076 -11.530 1.00 0.00 H new ATOM 0 HB3 LEU A 15 79.586 0.325 -12.491 1.00 0.00 H new ATOM 0 HG LEU A 15 79.342 -1.226 -10.338 1.00 0.00 H new ATOM 0 HD11 LEU A 15 79.691 0.076 -8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 15 81.222 -0.234 -9.130 1.00 0.00 H new ATOM 0 HD13 LEU A 15 80.457 1.370 -9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 15 77.584 0.306 -9.540 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.269 1.607 -10.542 1.00 0.00 H new ATOM 0 HD23 LEU A 15 77.576 0.160 -11.313 1.00 0.00 H new ATOM 54 N THR A 16 81.879 -2.292 -10.179 1.00 0.00 N ATOM 55 CA THR A 16 82.711 -2.705 -9.055 1.00 0.00 C ATOM 56 C THR A 16 83.948 -3.445 -9.544 1.00 0.00 C ATOM 57 O THR A 16 84.997 -3.410 -8.901 1.00 0.00 O ATOM 58 CB THR A 16 81.914 -3.592 -8.097 1.00 0.00 C ATOM 59 OG1 THR A 16 80.663 -3.002 -7.790 1.00 0.00 O ATOM 60 CG2 THR A 16 82.630 -3.856 -6.790 1.00 0.00 C ATOM 0 H THR A 16 81.033 -2.848 -10.306 1.00 0.00 H new ATOM 0 HA THR A 16 83.030 -1.809 -8.522 1.00 0.00 H new ATOM 0 HB THR A 16 81.786 -4.540 -8.620 1.00 0.00 H new ATOM 0 HG1 THR A 16 80.168 -3.585 -7.178 1.00 0.00 H new ATOM 0 HG21 THR A 16 82.010 -4.491 -6.157 1.00 0.00 H new ATOM 0 HG22 THR A 16 83.578 -4.357 -6.989 1.00 0.00 H new ATOM 0 HG23 THR A 16 82.819 -2.911 -6.281 1.00 0.00 H new ATOM 68 N GLN A 17 83.826 -4.110 -10.690 1.00 0.00 N ATOM 69 CA GLN A 17 84.947 -4.843 -11.256 1.00 0.00 C ATOM 70 C GLN A 17 86.088 -3.884 -11.587 1.00 0.00 C ATOM 71 O GLN A 17 87.227 -4.094 -11.170 1.00 0.00 O ATOM 72 CB GLN A 17 84.504 -5.627 -12.503 1.00 0.00 C ATOM 73 CG GLN A 17 84.927 -5.003 -13.826 1.00 0.00 C ATOM 74 CD GLN A 17 84.832 -5.973 -14.987 1.00 0.00 C ATOM 75 OE1 GLN A 17 84.006 -6.886 -14.983 1.00 0.00 O ATOM 76 NE2 GLN A 17 85.680 -5.780 -15.990 1.00 0.00 N ATOM 0 H GLN A 17 82.967 -4.155 -11.239 1.00 0.00 H new ATOM 0 HA GLN A 17 85.307 -5.561 -10.519 1.00 0.00 H new ATOM 0 HB2 GLN A 17 84.911 -6.636 -12.445 1.00 0.00 H new ATOM 0 HB3 GLN A 17 83.418 -5.720 -12.491 1.00 0.00 H new ATOM 0 HG2 GLN A 17 84.300 -4.135 -14.031 1.00 0.00 H new ATOM 0 HG3 GLN A 17 85.952 -4.643 -13.742 1.00 0.00 H new ATOM 0 HE21 GLN A 17 86.348 -5.010 -15.952 1.00 0.00 H new ATOM 0 HE22 GLN A 17 85.663 -6.401 -16.799 1.00 0.00 H new ATOM 85 N VAL A 18 85.770 -2.826 -12.330 1.00 0.00 N ATOM 86 CA VAL A 18 86.772 -1.835 -12.700 1.00 0.00 C ATOM 87 C VAL A 18 87.324 -1.180 -11.449 1.00 0.00 C ATOM 88 O VAL A 18 88.509 -0.860 -11.371 1.00 0.00 O ATOM 89 CB VAL A 18 86.215 -0.737 -13.628 1.00 0.00 C ATOM 90 CG1 VAL A 18 87.331 -0.135 -14.466 1.00 0.00 C ATOM 91 CG2 VAL A 18 85.107 -1.278 -14.521 1.00 0.00 C ATOM 0 H VAL A 18 84.833 -2.636 -12.684 1.00 0.00 H new ATOM 0 HA VAL A 18 87.554 -2.365 -13.245 1.00 0.00 H new ATOM 0 HB VAL A 18 85.786 0.046 -13.003 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.921 0.638 -15.116 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.083 0.303 -13.810 1.00 0.00 H new ATOM 0 HG13 VAL A 18 87.790 -0.914 -15.074 1.00 0.00 H new ATOM 0 HG21 VAL A 18 84.735 -0.480 -15.163 1.00 0.00 H new ATOM 0 HG22 VAL A 18 85.499 -2.087 -15.137 1.00 0.00 H new ATOM 0 HG23 VAL A 18 84.293 -1.655 -13.902 1.00 0.00 H new ATOM 101 N LYS A 19 86.456 -1.003 -10.458 1.00 0.00 N ATOM 102 CA LYS A 19 86.861 -0.408 -9.195 1.00 0.00 C ATOM 103 C LYS A 19 88.026 -1.192 -8.607 1.00 0.00 C ATOM 104 O LYS A 19 88.839 -0.651 -7.857 1.00 0.00 O ATOM 105 CB LYS A 19 85.687 -0.379 -8.213 1.00 0.00 C ATOM 106 CG LYS A 19 85.182 1.022 -7.910 1.00 0.00 C ATOM 107 CD LYS A 19 85.779 1.564 -6.621 1.00 0.00 C ATOM 108 CE LYS A 19 85.262 0.807 -5.408 1.00 0.00 C ATOM 109 NZ LYS A 19 85.070 1.703 -4.235 1.00 0.00 N ATOM 0 H LYS A 19 85.471 -1.263 -10.507 1.00 0.00 H new ATOM 0 HA LYS A 19 87.179 0.619 -9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 19 84.868 -0.971 -8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 19 85.992 -0.856 -7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 19 85.434 1.687 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 19 84.095 1.009 -7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 19 86.866 1.489 -6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 19 85.536 2.622 -6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 19 84.316 0.326 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 19 85.964 0.014 -5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 84.717 1.149 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 85.978 2.143 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 84.381 2.445 -4.474 1.00 0.00 H new ATOM 123 N GLU A 20 88.112 -2.469 -8.972 1.00 0.00 N ATOM 124 CA GLU A 20 89.193 -3.322 -8.499 1.00 0.00 C ATOM 125 C GLU A 20 90.472 -3.032 -9.279 1.00 0.00 C ATOM 126 O GLU A 20 91.578 -3.289 -8.802 1.00 0.00 O ATOM 127 CB GLU A 20 88.815 -4.797 -8.646 1.00 0.00 C ATOM 128 CG GLU A 20 87.487 -5.152 -7.999 1.00 0.00 C ATOM 129 CD GLU A 20 87.378 -6.626 -7.664 1.00 0.00 C ATOM 130 OE1 GLU A 20 87.902 -7.453 -8.439 1.00 0.00 O ATOM 131 OE2 GLU A 20 86.769 -6.955 -6.624 1.00 0.00 O ATOM 0 H GLU A 20 87.447 -2.932 -9.592 1.00 0.00 H new ATOM 0 HA GLU A 20 89.364 -3.109 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 20 88.772 -5.049 -9.706 1.00 0.00 H new ATOM 0 HB3 GLU A 20 89.600 -5.410 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 20 87.362 -4.566 -7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 20 86.674 -4.875 -8.670 1.00 0.00 H new ATOM 138 N SER A 21 90.307 -2.489 -10.483 1.00 0.00 N ATOM 139 CA SER A 21 91.433 -2.156 -11.341 1.00 0.00 C ATOM 140 C SER A 21 91.813 -0.687 -11.196 1.00 0.00 C ATOM 141 O SER A 21 92.967 -0.361 -10.914 1.00 0.00 O ATOM 142 CB SER A 21 91.083 -2.451 -12.793 1.00 0.00 C ATOM 143 OG SER A 21 91.921 -3.458 -13.330 1.00 0.00 O ATOM 0 H SER A 21 89.396 -2.270 -10.885 1.00 0.00 H new ATOM 0 HA SER A 21 92.284 -2.766 -11.038 1.00 0.00 H new ATOM 0 HB2 SER A 21 90.042 -2.767 -12.861 1.00 0.00 H new ATOM 0 HB3 SER A 21 91.180 -1.541 -13.385 1.00 0.00 H new ATOM 0 HG SER A 21 91.672 -3.628 -14.263 1.00 0.00 H new ATOM 149 N LEU A 22 90.837 0.203 -11.383 1.00 0.00 N ATOM 150 CA LEU A 22 91.090 1.633 -11.263 1.00 0.00 C ATOM 151 C LEU A 22 91.566 1.973 -9.854 1.00 0.00 C ATOM 152 O LEU A 22 92.158 3.027 -9.624 1.00 0.00 O ATOM 153 CB LEU A 22 89.831 2.432 -11.601 1.00 0.00 C ATOM 154 CG LEU A 22 88.610 2.104 -10.743 1.00 0.00 C ATOM 155 CD1 LEU A 22 88.486 3.089 -9.591 1.00 0.00 C ATOM 156 CD2 LEU A 22 87.345 2.106 -11.588 1.00 0.00 C ATOM 0 H LEU A 22 89.874 -0.041 -11.616 1.00 0.00 H new ATOM 0 HA LEU A 22 91.873 1.903 -11.972 1.00 0.00 H new ATOM 0 HB2 LEU A 22 90.054 3.494 -11.498 1.00 0.00 H new ATOM 0 HB3 LEU A 22 89.579 2.259 -12.647 1.00 0.00 H new ATOM 0 HG LEU A 22 88.742 1.105 -10.327 1.00 0.00 H new ATOM 0 HD11 LEU A 22 87.611 2.839 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 22 89.379 3.036 -8.969 1.00 0.00 H new ATOM 0 HD13 LEU A 22 88.379 4.099 -9.986 1.00 0.00 H new ATOM 0 HD21 LEU A 22 86.487 1.870 -10.959 1.00 0.00 H new ATOM 0 HD22 LEU A 22 87.208 3.091 -12.035 1.00 0.00 H new ATOM 0 HD23 LEU A 22 87.433 1.359 -12.376 1.00 0.00 H new ATOM 168 N SER A 23 91.309 1.065 -8.918 1.00 0.00 N ATOM 169 CA SER A 23 91.716 1.258 -7.532 1.00 0.00 C ATOM 170 C SER A 23 92.749 0.213 -7.111 1.00 0.00 C ATOM 171 O SER A 23 93.208 0.212 -5.969 1.00 0.00 O ATOM 172 CB SER A 23 90.496 1.200 -6.606 1.00 0.00 C ATOM 173 OG SER A 23 90.362 -0.077 -6.004 1.00 0.00 O ATOM 0 H SER A 23 90.820 0.187 -9.095 1.00 0.00 H new ATOM 0 HA SER A 23 92.176 2.243 -7.450 1.00 0.00 H new ATOM 0 HB2 SER A 23 90.589 1.961 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 23 89.595 1.432 -7.174 1.00 0.00 H new ATOM 0 HG SER A 23 89.960 -0.700 -6.645 1.00 0.00 H new ATOM 179 N SER A 24 93.116 -0.677 -8.034 1.00 0.00 N ATOM 180 CA SER A 24 94.097 -1.715 -7.735 1.00 0.00 C ATOM 181 C SER A 24 95.429 -1.107 -7.307 1.00 0.00 C ATOM 182 O SER A 24 96.237 -1.762 -6.648 1.00 0.00 O ATOM 183 CB SER A 24 94.298 -2.626 -8.948 1.00 0.00 C ATOM 184 OG SER A 24 93.963 -3.968 -8.640 1.00 0.00 O ATOM 0 H SER A 24 92.751 -0.699 -8.986 1.00 0.00 H new ATOM 0 HA SER A 24 93.713 -2.310 -6.906 1.00 0.00 H new ATOM 0 HB2 SER A 24 93.682 -2.275 -9.776 1.00 0.00 H new ATOM 0 HB3 SER A 24 95.336 -2.574 -9.278 1.00 0.00 H new ATOM 0 HG SER A 24 93.019 -4.126 -8.850 1.00 0.00 H new ATOM 190 N TYR A 25 95.646 0.151 -7.668 1.00 0.00 N ATOM 191 CA TYR A 25 96.870 0.847 -7.303 1.00 0.00 C ATOM 192 C TYR A 25 96.648 1.668 -6.041 1.00 0.00 C ATOM 193 O TYR A 25 97.600 2.087 -5.381 1.00 0.00 O ATOM 194 CB TYR A 25 97.340 1.749 -8.447 1.00 0.00 C ATOM 195 CG TYR A 25 97.976 0.993 -9.592 1.00 0.00 C ATOM 196 CD1 TYR A 25 97.225 0.130 -10.381 1.00 0.00 C ATOM 197 CD2 TYR A 25 99.325 1.141 -9.883 1.00 0.00 C ATOM 198 CE1 TYR A 25 97.803 -0.564 -11.428 1.00 0.00 C ATOM 199 CE2 TYR A 25 99.910 0.451 -10.929 1.00 0.00 C ATOM 200 CZ TYR A 25 99.144 -0.399 -11.697 1.00 0.00 C ATOM 201 OH TYR A 25 99.722 -1.089 -12.739 1.00 0.00 O ATOM 0 H TYR A 25 94.989 0.709 -8.213 1.00 0.00 H new ATOM 0 HA TYR A 25 97.646 0.106 -7.110 1.00 0.00 H new ATOM 0 HB2 TYR A 25 96.489 2.316 -8.825 1.00 0.00 H new ATOM 0 HB3 TYR A 25 98.057 2.472 -8.057 1.00 0.00 H new ATOM 0 HD1 TYR A 25 96.173 -0.001 -10.173 1.00 0.00 H new ATOM 0 HD2 TYR A 25 99.928 1.806 -9.283 1.00 0.00 H new ATOM 0 HE1 TYR A 25 97.206 -1.232 -12.032 1.00 0.00 H new ATOM 0 HE2 TYR A 25 100.961 0.578 -11.143 1.00 0.00 H new ATOM 0 HH TYR A 25 100.673 -0.860 -12.795 1.00 0.00 H new ATOM 211 N TRP A 26 95.381 1.870 -5.697 1.00 0.00 N ATOM 212 CA TRP A 26 95.023 2.609 -4.498 1.00 0.00 C ATOM 213 C TRP A 26 94.852 1.637 -3.343 1.00 0.00 C ATOM 214 O TRP A 26 95.051 1.988 -2.180 1.00 0.00 O ATOM 215 CB TRP A 26 93.736 3.406 -4.718 1.00 0.00 C ATOM 216 CG TRP A 26 93.353 4.252 -3.542 1.00 0.00 C ATOM 217 CD1 TRP A 26 92.991 3.815 -2.300 1.00 0.00 C ATOM 218 CD2 TRP A 26 93.292 5.681 -3.497 1.00 0.00 C ATOM 219 NE1 TRP A 26 92.709 4.884 -1.487 1.00 0.00 N ATOM 220 CE2 TRP A 26 92.887 6.041 -2.199 1.00 0.00 C ATOM 221 CE3 TRP A 26 93.542 6.693 -4.430 1.00 0.00 C ATOM 222 CZ2 TRP A 26 92.726 7.370 -1.809 1.00 0.00 C ATOM 223 CZ3 TRP A 26 93.382 8.010 -4.042 1.00 0.00 C ATOM 224 CH2 TRP A 26 92.978 8.338 -2.741 1.00 0.00 C ATOM 0 H TRP A 26 94.584 1.530 -6.235 1.00 0.00 H new ATOM 0 HA TRP A 26 95.819 3.315 -4.263 1.00 0.00 H new ATOM 0 HB2 TRP A 26 93.858 4.046 -5.592 1.00 0.00 H new ATOM 0 HB3 TRP A 26 92.923 2.715 -4.940 1.00 0.00 H new ATOM 0 HD1 TRP A 26 92.935 2.779 -2.001 1.00 0.00 H new ATOM 0 HE1 TRP A 26 92.415 4.827 -0.512 1.00 0.00 H new ATOM 0 HE3 TRP A 26 93.854 6.450 -5.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 92.414 7.625 -0.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 93.572 8.800 -4.754 1.00 0.00 H new ATOM 0 HH2 TRP A 26 92.863 9.377 -2.469 1.00 0.00 H new ATOM 235 N GLU A 27 94.501 0.399 -3.682 1.00 0.00 N ATOM 236 CA GLU A 27 94.323 -0.644 -2.685 1.00 0.00 C ATOM 237 C GLU A 27 95.659 -1.302 -2.364 1.00 0.00 C ATOM 238 O GLU A 27 95.835 -1.882 -1.293 1.00 0.00 O ATOM 239 CB GLU A 27 93.322 -1.692 -3.176 1.00 0.00 C ATOM 240 CG GLU A 27 92.420 -2.234 -2.079 1.00 0.00 C ATOM 241 CD GLU A 27 93.127 -3.232 -1.184 1.00 0.00 C ATOM 242 OE1 GLU A 27 93.773 -2.799 -0.206 1.00 0.00 O ATOM 243 OE2 GLU A 27 93.035 -4.447 -1.460 1.00 0.00 O ATOM 0 H GLU A 27 94.335 0.097 -4.642 1.00 0.00 H new ATOM 0 HA GLU A 27 93.929 -0.188 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 27 92.704 -1.253 -3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 27 93.868 -2.520 -3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 27 92.052 -1.406 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 27 91.550 -2.710 -2.531 1.00 0.00 H new ATOM 250 N SER A 28 96.601 -1.196 -3.295 1.00 0.00 N ATOM 251 CA SER A 28 97.925 -1.766 -3.109 1.00 0.00 C ATOM 252 C SER A 28 98.762 -0.865 -2.220 1.00 0.00 C ATOM 253 O SER A 28 99.426 -1.325 -1.292 1.00 0.00 O ATOM 254 CB SER A 28 98.613 -1.953 -4.459 1.00 0.00 C ATOM 255 OG SER A 28 99.603 -2.964 -4.396 1.00 0.00 O ATOM 0 H SER A 28 96.469 -0.719 -4.187 1.00 0.00 H new ATOM 0 HA SER A 28 97.822 -2.739 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 28 97.872 -2.213 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 28 99.069 -1.013 -4.771 1.00 0.00 H new ATOM 0 HG SER A 28 100.026 -3.063 -5.275 1.00 0.00 H new ATOM 261 N ALA A 29 98.709 0.428 -2.503 1.00 0.00 N ATOM 262 CA ALA A 29 99.447 1.409 -1.719 1.00 0.00 C ATOM 263 C ALA A 29 99.176 1.209 -0.233 1.00 0.00 C ATOM 264 O ALA A 29 100.022 1.506 0.611 1.00 0.00 O ATOM 265 CB ALA A 29 99.072 2.821 -2.145 1.00 0.00 C ATOM 0 H ALA A 29 98.163 0.823 -3.269 1.00 0.00 H new ATOM 0 HA ALA A 29 100.513 1.268 -1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 29 99.632 3.542 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 29 99.311 2.958 -3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 29 98.004 2.976 -1.992 1.00 0.00 H new ATOM 271 N LYS A 30 97.990 0.690 0.075 1.00 0.00 N ATOM 272 CA LYS A 30 97.602 0.430 1.453 1.00 0.00 C ATOM 273 C LYS A 30 98.076 -0.953 1.891 1.00 0.00 C ATOM 274 O LYS A 30 98.352 -1.178 3.069 1.00 0.00 O ATOM 275 CB LYS A 30 96.084 0.536 1.608 1.00 0.00 C ATOM 276 CG LYS A 30 95.649 1.144 2.932 1.00 0.00 C ATOM 277 CD LYS A 30 95.710 2.663 2.895 1.00 0.00 C ATOM 278 CE LYS A 30 94.341 3.269 2.635 1.00 0.00 C ATOM 279 NZ LYS A 30 94.159 3.639 1.205 1.00 0.00 N ATOM 0 H LYS A 30 97.281 0.442 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 30 98.074 1.179 2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 30 95.685 1.139 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 30 95.647 -0.458 1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 30 94.633 0.825 3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 30 96.289 0.773 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 30 96.100 3.036 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 30 96.404 2.982 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 30 93.568 2.558 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 30 94.212 4.154 3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 93.402 4.347 1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 95.046 4.036 0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 93.902 2.793 0.657 1.00 0.00 H new ATOM 293 N THR A 31 98.174 -1.876 0.935 1.00 0.00 N ATOM 294 CA THR A 31 98.622 -3.232 1.234 1.00 0.00 C ATOM 295 C THR A 31 100.113 -3.250 1.557 1.00 0.00 C ATOM 296 O THR A 31 100.577 -4.076 2.343 1.00 0.00 O ATOM 297 CB THR A 31 98.332 -4.164 0.057 1.00 0.00 C ATOM 298 OG1 THR A 31 99.059 -3.765 -1.092 1.00 0.00 O ATOM 299 CG2 THR A 31 96.867 -4.215 -0.321 1.00 0.00 C ATOM 0 H THR A 31 97.950 -1.710 -0.046 1.00 0.00 H new ATOM 0 HA THR A 31 98.072 -3.584 2.107 1.00 0.00 H new ATOM 0 HB THR A 31 98.638 -5.155 0.393 1.00 0.00 H new ATOM 0 HG1 THR A 31 99.379 -2.846 -0.974 1.00 0.00 H new ATOM 0 HG21 THR A 31 96.732 -4.894 -1.163 1.00 0.00 H new ATOM 0 HG22 THR A 31 96.284 -4.570 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.529 -3.218 -0.602 1.00 0.00 H new ATOM 307 N ALA A 32 100.856 -2.331 0.949 1.00 0.00 N ATOM 308 CA ALA A 32 102.294 -2.242 1.176 1.00 0.00 C ATOM 309 C ALA A 32 102.646 -1.026 2.031 1.00 0.00 C ATOM 310 O ALA A 32 103.795 -0.588 2.056 1.00 0.00 O ATOM 311 CB ALA A 32 103.035 -2.187 -0.151 1.00 0.00 C ATOM 0 H ALA A 32 100.487 -1.639 0.297 1.00 0.00 H new ATOM 0 HA ALA A 32 102.605 -3.135 1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 32 104.107 -2.121 0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 32 102.821 -3.088 -0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 32 102.709 -1.312 -0.714 1.00 0.00 H new ATOM 317 N ALA A 33 101.653 -0.492 2.736 1.00 0.00 N ATOM 318 CA ALA A 33 101.865 0.666 3.595 1.00 0.00 C ATOM 319 C ALA A 33 102.091 0.230 5.036 1.00 0.00 C ATOM 320 O ALA A 33 103.054 0.649 5.678 1.00 0.00 O ATOM 321 CB ALA A 33 100.680 1.616 3.505 1.00 0.00 C ATOM 0 H ALA A 33 100.695 -0.843 2.729 1.00 0.00 H new ATOM 0 HA ALA A 33 102.757 1.191 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 33 100.853 2.476 4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 33 100.562 1.954 2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 33 99.774 1.099 3.823 1.00 0.00 H new ATOM 327 N GLN A 34 101.199 -0.619 5.538 1.00 0.00 N ATOM 328 CA GLN A 34 101.307 -1.119 6.903 1.00 0.00 C ATOM 329 C GLN A 34 102.624 -1.862 7.105 1.00 0.00 C ATOM 330 O GLN A 34 103.107 -1.995 8.230 1.00 0.00 O ATOM 331 CB GLN A 34 100.130 -2.042 7.226 1.00 0.00 C ATOM 332 CG GLN A 34 98.954 -1.324 7.869 1.00 0.00 C ATOM 333 CD GLN A 34 98.617 -1.869 9.243 1.00 0.00 C ATOM 334 OE1 GLN A 34 99.472 -1.930 10.127 1.00 0.00 O ATOM 335 NE2 GLN A 34 97.364 -2.269 9.430 1.00 0.00 N ATOM 0 H GLN A 34 100.395 -0.974 5.020 1.00 0.00 H new ATOM 0 HA GLN A 34 101.284 -0.265 7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 34 99.793 -2.523 6.308 1.00 0.00 H new ATOM 0 HB3 GLN A 34 100.472 -2.833 7.894 1.00 0.00 H new ATOM 0 HG2 GLN A 34 99.182 -0.261 7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 34 98.081 -1.414 7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 34 96.688 -2.200 8.669 1.00 0.00 H new ATOM 0 HE22 GLN A 34 97.078 -2.645 10.334 1.00 0.00 H new ATOM 344 N ASN A 35 103.202 -2.340 6.008 1.00 0.00 N ATOM 345 CA ASN A 35 104.465 -3.063 6.059 1.00 0.00 C ATOM 346 C ASN A 35 105.628 -2.098 6.249 1.00 0.00 C ATOM 347 O ASN A 35 106.321 -2.133 7.266 1.00 0.00 O ATOM 348 CB ASN A 35 104.661 -3.865 4.774 1.00 0.00 C ATOM 349 CG ASN A 35 105.529 -5.091 4.982 1.00 0.00 C ATOM 350 OD1 ASN A 35 106.140 -5.261 6.036 1.00 0.00 O ATOM 351 ND2 ASN A 35 105.587 -5.952 3.973 1.00 0.00 N ATOM 0 H ASN A 35 102.813 -2.239 5.070 1.00 0.00 H new ATOM 0 HA ASN A 35 104.437 -3.746 6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 35 103.689 -4.173 4.390 1.00 0.00 H new ATOM 0 HB3 ASN A 35 105.115 -3.226 4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 35 106.155 -6.795 4.054 1.00 0.00 H new ATOM 0 HD22 ASN A 35 105.063 -5.770 3.117 1.00 0.00 H new ATOM 358 N LEU A 36 105.835 -1.237 5.259 1.00 0.00 N ATOM 359 CA LEU A 36 106.913 -0.256 5.310 1.00 0.00 C ATOM 360 C LEU A 36 106.766 0.652 6.526 1.00 0.00 C ATOM 361 O LEU A 36 107.756 1.113 7.094 1.00 0.00 O ATOM 362 CB LEU A 36 106.928 0.583 4.031 1.00 0.00 C ATOM 363 CG LEU A 36 105.722 1.504 3.846 1.00 0.00 C ATOM 364 CD1 LEU A 36 105.958 2.837 4.539 1.00 0.00 C ATOM 365 CD2 LEU A 36 105.433 1.713 2.368 1.00 0.00 C ATOM 0 H LEU A 36 105.270 -1.198 4.411 1.00 0.00 H new ATOM 0 HA LEU A 36 107.857 -0.795 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 36 107.834 1.190 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 36 106.987 -0.089 3.175 1.00 0.00 H new ATOM 0 HG LEU A 36 104.853 1.030 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 36 105.089 3.480 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 36 106.115 2.670 5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 36 106.839 3.318 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 36 104.571 2.371 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 36 106.301 2.166 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 36 105.219 0.752 1.900 1.00 0.00 H new ATOM 377 N TYR A 37 105.522 0.906 6.922 1.00 0.00 N ATOM 378 CA TYR A 37 105.244 1.759 8.072 1.00 0.00 C ATOM 379 C TYR A 37 105.655 1.083 9.379 1.00 0.00 C ATOM 380 O TYR A 37 105.703 1.723 10.429 1.00 0.00 O ATOM 381 CB TYR A 37 103.760 2.124 8.119 1.00 0.00 C ATOM 382 CG TYR A 37 103.391 3.278 7.215 1.00 0.00 C ATOM 383 CD1 TYR A 37 104.148 4.444 7.201 1.00 0.00 C ATOM 384 CD2 TYR A 37 102.286 3.204 6.376 1.00 0.00 C ATOM 385 CE1 TYR A 37 103.815 5.501 6.377 1.00 0.00 C ATOM 386 CE2 TYR A 37 101.947 4.258 5.549 1.00 0.00 C ATOM 387 CZ TYR A 37 102.714 5.404 5.553 1.00 0.00 C ATOM 388 OH TYR A 37 102.379 6.456 4.731 1.00 0.00 O ATOM 0 H TYR A 37 104.691 0.533 6.463 1.00 0.00 H new ATOM 0 HA TYR A 37 105.834 2.669 7.959 1.00 0.00 H new ATOM 0 HB2 TYR A 37 103.171 1.251 7.838 1.00 0.00 H new ATOM 0 HB3 TYR A 37 103.489 2.376 9.144 1.00 0.00 H new ATOM 0 HD1 TYR A 37 105.011 4.525 7.845 1.00 0.00 H new ATOM 0 HD2 TYR A 37 101.682 2.308 6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 37 104.414 6.399 6.378 1.00 0.00 H new ATOM 0 HE2 TYR A 37 101.085 4.185 4.902 1.00 0.00 H new ATOM 0 HH TYR A 37 101.578 6.226 4.215 1.00 0.00 H new ATOM 398 N GLU A 38 105.949 -0.211 9.310 1.00 0.00 N ATOM 399 CA GLU A 38 106.353 -0.967 10.489 1.00 0.00 C ATOM 400 C GLU A 38 107.864 -0.898 10.692 1.00 0.00 C ATOM 401 O GLU A 38 108.352 -0.976 11.820 1.00 0.00 O ATOM 402 CB GLU A 38 105.910 -2.425 10.363 1.00 0.00 C ATOM 403 CG GLU A 38 105.563 -3.073 11.693 1.00 0.00 C ATOM 404 CD GLU A 38 104.089 -2.962 12.029 1.00 0.00 C ATOM 405 OE1 GLU A 38 103.256 -3.190 11.126 1.00 0.00 O ATOM 406 OE2 GLU A 38 103.767 -2.647 13.194 1.00 0.00 O ATOM 0 H GLU A 38 105.915 -0.758 8.450 1.00 0.00 H new ATOM 0 HA GLU A 38 105.868 -0.521 11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 38 105.042 -2.477 9.706 1.00 0.00 H new ATOM 0 HB3 GLU A 38 106.705 -2.998 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 38 105.847 -4.125 11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 38 106.148 -2.605 12.485 1.00 0.00 H new ATOM 413 N LYS A 39 108.600 -0.755 9.595 1.00 0.00 N ATOM 414 CA LYS A 39 110.056 -0.680 9.657 1.00 0.00 C ATOM 415 C LYS A 39 110.542 0.768 9.590 1.00 0.00 C ATOM 416 O LYS A 39 111.721 1.022 9.347 1.00 0.00 O ATOM 417 CB LYS A 39 110.675 -1.490 8.516 1.00 0.00 C ATOM 418 CG LYS A 39 110.274 -2.956 8.523 1.00 0.00 C ATOM 419 CD LYS A 39 110.770 -3.675 7.279 1.00 0.00 C ATOM 420 CE LYS A 39 109.906 -4.883 6.954 1.00 0.00 C ATOM 421 NZ LYS A 39 110.637 -5.882 6.125 1.00 0.00 N ATOM 0 H LYS A 39 108.213 -0.689 8.653 1.00 0.00 H new ATOM 0 HA LYS A 39 110.372 -1.100 10.612 1.00 0.00 H new ATOM 0 HB2 LYS A 39 110.381 -1.046 7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 39 111.761 -1.419 8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 39 110.680 -3.441 9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 39 109.189 -3.037 8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 39 110.768 -2.987 6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 39 111.802 -3.993 7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 39 109.575 -5.352 7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 39 109.011 -4.557 6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 110.014 -6.690 5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 110.931 -5.442 5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 111.478 -6.212 6.641 1.00 0.00 H new ATOM 435 N THR A 40 109.631 1.712 9.807 1.00 0.00 N ATOM 436 CA THR A 40 109.980 3.129 9.769 1.00 0.00 C ATOM 437 C THR A 40 109.438 3.866 10.990 1.00 0.00 C ATOM 438 O THR A 40 110.077 4.780 11.510 1.00 0.00 O ATOM 439 CB THR A 40 109.449 3.776 8.488 1.00 0.00 C ATOM 440 OG1 THR A 40 109.933 5.101 8.358 1.00 0.00 O ATOM 441 CG2 THR A 40 107.938 3.833 8.425 1.00 0.00 C ATOM 0 H THR A 40 108.649 1.523 10.010 1.00 0.00 H new ATOM 0 HA THR A 40 111.067 3.204 9.782 1.00 0.00 H new ATOM 0 HB THR A 40 109.806 3.142 7.677 1.00 0.00 H new ATOM 0 HG1 THR A 40 109.584 5.497 7.532 1.00 0.00 H new ATOM 0 HG21 THR A 40 107.630 4.303 7.491 1.00 0.00 H new ATOM 0 HG22 THR A 40 107.533 2.822 8.473 1.00 0.00 H new ATOM 0 HG23 THR A 40 107.560 4.415 9.266 1.00 0.00 H new ATOM 449 N TYR A 41 108.256 3.462 11.443 1.00 0.00 N ATOM 450 CA TYR A 41 107.626 4.084 12.602 1.00 0.00 C ATOM 451 C TYR A 41 107.910 3.288 13.872 1.00 0.00 C ATOM 452 O TYR A 41 107.090 3.252 14.791 1.00 0.00 O ATOM 453 CB TYR A 41 106.118 4.198 12.388 1.00 0.00 C ATOM 454 CG TYR A 41 105.454 5.226 13.276 1.00 0.00 C ATOM 455 CD1 TYR A 41 105.788 6.571 13.186 1.00 0.00 C ATOM 456 CD2 TYR A 41 104.491 4.850 14.205 1.00 0.00 C ATOM 457 CE1 TYR A 41 105.184 7.512 13.997 1.00 0.00 C ATOM 458 CE2 TYR A 41 103.882 5.785 15.020 1.00 0.00 C ATOM 459 CZ TYR A 41 104.231 7.115 14.912 1.00 0.00 C ATOM 460 OH TYR A 41 103.626 8.050 15.720 1.00 0.00 O ATOM 0 H TYR A 41 107.714 2.706 11.025 1.00 0.00 H new ATOM 0 HA TYR A 41 108.048 5.082 12.719 1.00 0.00 H new ATOM 0 HB2 TYR A 41 105.926 4.453 11.346 1.00 0.00 H new ATOM 0 HB3 TYR A 41 105.660 3.225 12.568 1.00 0.00 H new ATOM 0 HD1 TYR A 41 106.532 6.886 12.470 1.00 0.00 H new ATOM 0 HD2 TYR A 41 104.214 3.810 14.291 1.00 0.00 H new ATOM 0 HE1 TYR A 41 105.457 8.554 13.915 1.00 0.00 H new ATOM 0 HE2 TYR A 41 103.137 5.476 15.738 1.00 0.00 H new ATOM 0 HH TYR A 41 102.979 7.606 16.306 1.00 0.00 H new ATOM 470 N LEU A 42 109.074 2.655 13.917 1.00 0.00 N ATOM 471 CA LEU A 42 109.471 1.861 15.073 1.00 0.00 C ATOM 472 C LEU A 42 109.540 2.727 16.329 1.00 0.00 C ATOM 473 O LEU A 42 109.434 3.951 16.254 1.00 0.00 O ATOM 474 CB LEU A 42 110.829 1.199 14.820 1.00 0.00 C ATOM 475 CG LEU A 42 110.764 -0.200 14.206 1.00 0.00 C ATOM 476 CD1 LEU A 42 112.149 -0.660 13.779 1.00 0.00 C ATOM 477 CD2 LEU A 42 110.152 -1.186 15.189 1.00 0.00 C ATOM 0 H LEU A 42 109.762 2.676 13.164 1.00 0.00 H new ATOM 0 HA LEU A 42 108.720 1.087 15.228 1.00 0.00 H new ATOM 0 HB2 LEU A 42 111.412 1.842 14.160 1.00 0.00 H new ATOM 0 HB3 LEU A 42 111.369 1.139 15.765 1.00 0.00 H new ATOM 0 HG LEU A 42 110.129 -0.159 13.321 1.00 0.00 H new ATOM 0 HD11 LEU A 42 112.083 -1.657 13.344 1.00 0.00 H new ATOM 0 HD12 LEU A 42 112.550 0.032 13.039 1.00 0.00 H new ATOM 0 HD13 LEU A 42 112.808 -0.685 14.647 1.00 0.00 H new ATOM 0 HD21 LEU A 42 110.114 -2.176 14.735 1.00 0.00 H new ATOM 0 HD22 LEU A 42 110.761 -1.224 16.092 1.00 0.00 H new ATOM 0 HD23 LEU A 42 109.142 -0.865 15.445 1.00 0.00 H new ATOM 489 N PRO A 43 109.716 2.100 17.506 1.00 0.00 N ATOM 490 CA PRO A 43 109.797 2.820 18.785 1.00 0.00 C ATOM 491 C PRO A 43 110.990 3.773 18.855 1.00 0.00 C ATOM 492 O PRO A 43 111.094 4.578 19.780 1.00 0.00 O ATOM 493 CB PRO A 43 109.949 1.702 19.826 1.00 0.00 C ATOM 494 CG PRO A 43 109.501 0.459 19.135 1.00 0.00 C ATOM 495 CD PRO A 43 109.847 0.647 17.688 1.00 0.00 C ATOM 0 HA PRO A 43 108.922 3.451 18.940 1.00 0.00 H new ATOM 0 HB2 PRO A 43 110.982 1.615 20.162 1.00 0.00 H new ATOM 0 HB3 PRO A 43 109.342 1.902 20.709 1.00 0.00 H new ATOM 0 HG2 PRO A 43 110.001 -0.418 19.546 1.00 0.00 H new ATOM 0 HG3 PRO A 43 108.430 0.305 19.264 1.00 0.00 H new ATOM 0 HD2 PRO A 43 110.857 0.301 17.466 1.00 0.00 H new ATOM 0 HD3 PRO A 43 109.170 0.095 17.036 1.00 0.00 H new ATOM 503 N ALA A 44 111.890 3.679 17.879 1.00 0.00 N ATOM 504 CA ALA A 44 113.069 4.535 17.842 1.00 0.00 C ATOM 505 C ALA A 44 112.814 5.799 17.034 1.00 0.00 C ATOM 506 O ALA A 44 113.643 6.709 17.009 1.00 0.00 O ATOM 507 CB ALA A 44 114.261 3.774 17.281 1.00 0.00 C ATOM 0 H ALA A 44 111.824 3.019 17.105 1.00 0.00 H new ATOM 0 HA ALA A 44 113.295 4.836 18.865 1.00 0.00 H new ATOM 0 HB1 ALA A 44 115.133 4.428 17.260 1.00 0.00 H new ATOM 0 HB2 ALA A 44 114.470 2.910 17.911 1.00 0.00 H new ATOM 0 HB3 ALA A 44 114.035 3.439 16.269 1.00 0.00 H new ATOM 513 N VAL A 45 111.658 5.861 16.390 1.00 0.00 N ATOM 514 CA VAL A 45 111.294 7.028 15.601 1.00 0.00 C ATOM 515 C VAL A 45 111.173 8.250 16.502 1.00 0.00 C ATOM 516 O VAL A 45 111.328 9.387 16.055 1.00 0.00 O ATOM 517 CB VAL A 45 109.968 6.815 14.845 1.00 0.00 C ATOM 518 CG1 VAL A 45 108.828 6.560 15.820 1.00 0.00 C ATOM 519 CG2 VAL A 45 109.660 8.007 13.948 1.00 0.00 C ATOM 0 H VAL A 45 110.958 5.119 16.398 1.00 0.00 H new ATOM 0 HA VAL A 45 112.083 7.186 14.865 1.00 0.00 H new ATOM 0 HB VAL A 45 110.074 5.935 14.211 1.00 0.00 H new ATOM 0 HG11 VAL A 45 107.901 6.412 15.266 1.00 0.00 H new ATOM 0 HG12 VAL A 45 109.045 5.668 16.408 1.00 0.00 H new ATOM 0 HG13 VAL A 45 108.720 7.416 16.486 1.00 0.00 H new ATOM 0 HG21 VAL A 45 108.720 7.835 13.424 1.00 0.00 H new ATOM 0 HG22 VAL A 45 109.577 8.908 14.556 1.00 0.00 H new ATOM 0 HG23 VAL A 45 110.463 8.132 13.221 1.00 0.00 H new ATOM 529 N ASP A 46 110.903 8.001 17.781 1.00 0.00 N ATOM 530 CA ASP A 46 110.771 9.075 18.757 1.00 0.00 C ATOM 531 C ASP A 46 112.143 9.603 19.166 1.00 0.00 C ATOM 532 O ASP A 46 112.270 10.736 19.626 1.00 0.00 O ATOM 533 CB ASP A 46 110.013 8.580 19.992 1.00 0.00 C ATOM 534 CG ASP A 46 109.111 9.647 20.581 1.00 0.00 C ATOM 535 OD1 ASP A 46 109.383 10.845 20.356 1.00 0.00 O ATOM 536 OD2 ASP A 46 108.133 9.284 21.268 1.00 0.00 O ATOM 0 H ASP A 46 110.772 7.065 18.164 1.00 0.00 H new ATOM 0 HA ASP A 46 110.208 9.887 18.297 1.00 0.00 H new ATOM 0 HB2 ASP A 46 109.414 7.710 19.723 1.00 0.00 H new ATOM 0 HB3 ASP A 46 110.728 8.254 20.748 1.00 0.00 H new ATOM 541 N GLU A 47 113.170 8.773 18.989 1.00 0.00 N ATOM 542 CA GLU A 47 114.532 9.158 19.334 1.00 0.00 C ATOM 543 C GLU A 47 115.442 9.056 18.115 1.00 0.00 C ATOM 544 O GLU A 47 116.638 8.789 18.239 1.00 0.00 O ATOM 545 CB GLU A 47 115.067 8.272 20.461 1.00 0.00 C ATOM 546 CG GLU A 47 116.096 8.961 21.342 1.00 0.00 C ATOM 547 CD GLU A 47 117.072 7.986 21.970 1.00 0.00 C ATOM 548 OE1 GLU A 47 116.672 6.832 22.232 1.00 0.00 O ATOM 549 OE2 GLU A 47 118.236 8.376 22.200 1.00 0.00 O ATOM 0 H GLU A 47 113.082 7.831 18.609 1.00 0.00 H new ATOM 0 HA GLU A 47 114.519 10.193 19.675 1.00 0.00 H new ATOM 0 HB2 GLU A 47 114.233 7.944 21.081 1.00 0.00 H new ATOM 0 HB3 GLU A 47 115.513 7.377 20.027 1.00 0.00 H new ATOM 0 HG2 GLU A 47 116.648 9.690 20.748 1.00 0.00 H new ATOM 0 HG3 GLU A 47 115.583 9.514 22.129 1.00 0.00 H new ATOM 556 N LYS A 48 114.864 9.268 16.937 1.00 0.00 N ATOM 557 CA LYS A 48 115.615 9.198 15.690 1.00 0.00 C ATOM 558 C LYS A 48 114.822 9.821 14.548 1.00 0.00 C ATOM 559 O LYS A 48 115.280 10.766 13.907 1.00 0.00 O ATOM 560 CB LYS A 48 115.955 7.744 15.358 1.00 0.00 C ATOM 561 CG LYS A 48 116.934 7.596 14.205 1.00 0.00 C ATOM 562 CD LYS A 48 117.586 6.223 14.202 1.00 0.00 C ATOM 563 CE LYS A 48 118.528 6.057 13.021 1.00 0.00 C ATOM 564 NZ LYS A 48 117.898 5.290 11.912 1.00 0.00 N ATOM 0 H LYS A 48 113.875 9.490 16.821 1.00 0.00 H new ATOM 0 HA LYS A 48 116.541 9.760 15.816 1.00 0.00 H new ATOM 0 HB2 LYS A 48 116.375 7.266 16.243 1.00 0.00 H new ATOM 0 HB3 LYS A 48 115.036 7.211 15.114 1.00 0.00 H new ATOM 0 HG2 LYS A 48 116.413 7.755 13.261 1.00 0.00 H new ATOM 0 HG3 LYS A 48 117.703 8.365 14.278 1.00 0.00 H new ATOM 0 HD2 LYS A 48 118.137 6.079 15.131 1.00 0.00 H new ATOM 0 HD3 LYS A 48 116.815 5.453 14.165 1.00 0.00 H new ATOM 0 HE2 LYS A 48 118.831 7.039 12.657 1.00 0.00 H new ATOM 0 HE3 LYS A 48 119.433 5.545 13.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 118.526 5.300 11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 117.740 4.308 12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 116.987 5.726 11.662 1.00 0.00 H new ATOM 578 N LEU A 49 113.631 9.285 14.300 1.00 0.00 N ATOM 579 CA LEU A 49 112.770 9.788 13.232 1.00 0.00 C ATOM 580 C LEU A 49 113.560 9.986 11.940 1.00 0.00 C ATOM 581 O LEU A 49 113.364 10.968 11.224 1.00 0.00 O ATOM 582 CB LEU A 49 112.117 11.106 13.653 1.00 0.00 C ATOM 583 CG LEU A 49 110.727 11.358 13.066 1.00 0.00 C ATOM 584 CD1 LEU A 49 109.916 12.259 13.984 1.00 0.00 C ATOM 585 CD2 LEU A 49 110.838 11.969 11.678 1.00 0.00 C ATOM 0 H LEU A 49 113.239 8.502 14.823 1.00 0.00 H new ATOM 0 HA LEU A 49 111.992 9.047 13.049 1.00 0.00 H new ATOM 0 HB2 LEU A 49 112.044 11.126 14.740 1.00 0.00 H new ATOM 0 HB3 LEU A 49 112.772 11.927 13.362 1.00 0.00 H new ATOM 0 HG LEU A 49 110.210 10.402 12.980 1.00 0.00 H new ATOM 0 HD11 LEU A 49 108.930 12.427 13.550 1.00 0.00 H new ATOM 0 HD12 LEU A 49 109.807 11.783 14.958 1.00 0.00 H new ATOM 0 HD13 LEU A 49 110.428 13.214 14.102 1.00 0.00 H new ATOM 0 HD21 LEU A 49 109.840 12.142 11.276 1.00 0.00 H new ATOM 0 HD22 LEU A 49 111.373 12.916 11.739 1.00 0.00 H new ATOM 0 HD23 LEU A 49 111.381 11.287 11.023 1.00 0.00 H new ATOM 597 N ARG A 50 114.459 9.049 11.656 1.00 0.00 N ATOM 598 CA ARG A 50 115.287 9.118 10.457 1.00 0.00 C ATOM 599 C ARG A 50 116.177 10.356 10.483 1.00 0.00 C ATOM 600 O ARG A 50 116.482 10.935 9.440 1.00 0.00 O ATOM 601 CB ARG A 50 114.410 9.127 9.203 1.00 0.00 C ATOM 602 CG ARG A 50 113.827 7.767 8.858 1.00 0.00 C ATOM 603 CD ARG A 50 114.893 6.824 8.321 1.00 0.00 C ATOM 604 NE ARG A 50 114.350 5.882 7.346 1.00 0.00 N ATOM 605 CZ ARG A 50 113.664 4.789 7.673 1.00 0.00 C ATOM 606 NH1 ARG A 50 113.435 4.498 8.948 1.00 0.00 N ATOM 607 NH2 ARG A 50 113.204 3.985 6.724 1.00 0.00 N ATOM 0 H ARG A 50 114.633 8.232 12.241 1.00 0.00 H new ATOM 0 HA ARG A 50 115.926 8.235 10.435 1.00 0.00 H new ATOM 0 HB2 ARG A 50 113.595 9.837 9.345 1.00 0.00 H new ATOM 0 HB3 ARG A 50 115.001 9.484 8.359 1.00 0.00 H new ATOM 0 HG2 ARG A 50 113.368 7.331 9.745 1.00 0.00 H new ATOM 0 HG3 ARG A 50 113.038 7.886 8.116 1.00 0.00 H new ATOM 0 HD2 ARG A 50 115.691 7.405 7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 50 115.339 6.272 9.149 1.00 0.00 H new ATOM 0 HE ARG A 50 114.506 6.073 6.356 1.00 0.00 H new ATOM 0 HH11 ARG A 50 113.785 5.113 9.682 1.00 0.00 H new ATOM 0 HH12 ARG A 50 112.909 3.659 9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 50 113.376 4.204 5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 50 112.678 3.148 6.975 1.00 0.00 H new ATOM 621 N ASP A 51 116.593 10.755 11.682 1.00 0.00 N ATOM 622 CA ASP A 51 117.450 11.924 11.844 1.00 0.00 C ATOM 623 C ASP A 51 118.863 11.512 12.246 1.00 0.00 C ATOM 624 O ASP A 51 119.824 12.240 12.000 1.00 0.00 O ATOM 625 CB ASP A 51 116.865 12.874 12.889 1.00 0.00 C ATOM 626 CG ASP A 51 117.469 14.263 12.812 1.00 0.00 C ATOM 627 OD1 ASP A 51 117.365 14.896 11.740 1.00 0.00 O ATOM 628 OD2 ASP A 51 118.045 14.717 13.822 1.00 0.00 O ATOM 0 H ASP A 51 116.350 10.286 12.555 1.00 0.00 H new ATOM 0 HA ASP A 51 117.501 12.440 10.885 1.00 0.00 H new ATOM 0 HB2 ASP A 51 115.786 12.942 12.750 1.00 0.00 H new ATOM 0 HB3 ASP A 51 117.033 12.463 13.884 1.00 0.00 H new ATOM 633 N LEU A 52 118.985 10.338 12.859 1.00 0.00 N ATOM 634 CA LEU A 52 120.284 9.832 13.285 1.00 0.00 C ATOM 635 C LEU A 52 120.949 9.019 12.174 1.00 0.00 C ATOM 636 O LEU A 52 121.909 8.289 12.417 1.00 0.00 O ATOM 637 CB LEU A 52 120.134 8.974 14.543 1.00 0.00 C ATOM 638 CG LEU A 52 121.328 9.007 15.497 1.00 0.00 C ATOM 639 CD1 LEU A 52 121.355 10.314 16.272 1.00 0.00 C ATOM 640 CD2 LEU A 52 121.282 7.820 16.449 1.00 0.00 C ATOM 0 H LEU A 52 118.201 9.721 13.071 1.00 0.00 H new ATOM 0 HA LEU A 52 120.920 10.688 13.511 1.00 0.00 H new ATOM 0 HB2 LEU A 52 119.247 9.303 15.084 1.00 0.00 H new ATOM 0 HB3 LEU A 52 119.959 7.941 14.241 1.00 0.00 H new ATOM 0 HG LEU A 52 122.243 8.939 14.908 1.00 0.00 H new ATOM 0 HD11 LEU A 52 122.212 10.320 16.946 1.00 0.00 H new ATOM 0 HD12 LEU A 52 121.436 11.148 15.575 1.00 0.00 H new ATOM 0 HD13 LEU A 52 120.437 10.413 16.851 1.00 0.00 H new ATOM 0 HD21 LEU A 52 122.139 7.859 17.121 1.00 0.00 H new ATOM 0 HD22 LEU A 52 120.362 7.857 17.032 1.00 0.00 H new ATOM 0 HD23 LEU A 52 121.312 6.893 15.876 1.00 0.00 H new ATOM 652 N TYR A 53 120.432 9.153 10.955 1.00 0.00 N ATOM 653 CA TYR A 53 120.970 8.440 9.809 1.00 0.00 C ATOM 654 C TYR A 53 121.745 9.391 8.905 1.00 0.00 C ATOM 655 O TYR A 53 122.835 9.069 8.433 1.00 0.00 O ATOM 656 CB TYR A 53 119.831 7.784 9.028 1.00 0.00 C ATOM 657 CG TYR A 53 119.925 6.277 8.954 1.00 0.00 C ATOM 658 CD1 TYR A 53 121.146 5.645 8.754 1.00 0.00 C ATOM 659 CD2 TYR A 53 118.790 5.486 9.087 1.00 0.00 C ATOM 660 CE1 TYR A 53 121.232 4.267 8.686 1.00 0.00 C ATOM 661 CE2 TYR A 53 118.869 4.108 9.021 1.00 0.00 C ATOM 662 CZ TYR A 53 120.091 3.503 8.821 1.00 0.00 C ATOM 663 OH TYR A 53 120.174 2.131 8.756 1.00 0.00 O ATOM 0 H TYR A 53 119.636 9.754 10.739 1.00 0.00 H new ATOM 0 HA TYR A 53 121.653 7.668 10.164 1.00 0.00 H new ATOM 0 HB2 TYR A 53 118.883 8.056 9.491 1.00 0.00 H new ATOM 0 HB3 TYR A 53 119.819 8.187 8.015 1.00 0.00 H new ATOM 0 HD1 TYR A 53 122.042 6.239 8.650 1.00 0.00 H new ATOM 0 HD2 TYR A 53 117.831 5.956 9.245 1.00 0.00 H new ATOM 0 HE1 TYR A 53 122.188 3.790 8.528 1.00 0.00 H new ATOM 0 HE2 TYR A 53 117.977 3.508 9.126 1.00 0.00 H new ATOM 0 HH TYR A 53 119.281 1.743 8.871 1.00 0.00 H new ATOM 673 N SER A 54 121.170 10.566 8.671 1.00 0.00 N ATOM 674 CA SER A 54 121.798 11.577 7.825 1.00 0.00 C ATOM 675 C SER A 54 122.274 10.973 6.513 1.00 0.00 C ATOM 676 O SER A 54 123.301 11.378 5.965 1.00 0.00 O ATOM 677 CB SER A 54 122.970 12.233 8.557 1.00 0.00 C ATOM 678 OG SER A 54 123.542 13.270 7.779 1.00 0.00 O ATOM 0 H SER A 54 120.267 10.843 9.056 1.00 0.00 H new ATOM 0 HA SER A 54 121.050 12.338 7.600 1.00 0.00 H new ATOM 0 HB2 SER A 54 122.628 12.636 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 54 123.728 11.483 8.782 1.00 0.00 H new ATOM 0 HG SER A 54 123.762 12.927 6.888 1.00 0.00 H new ATOM 684 N LYS A 55 121.525 9.995 6.017 1.00 0.00 N ATOM 685 CA LYS A 55 121.872 9.324 4.771 1.00 0.00 C ATOM 686 C LYS A 55 123.298 8.784 4.823 1.00 0.00 C ATOM 687 O LYS A 55 123.902 8.505 3.787 1.00 0.00 O ATOM 688 CB LYS A 55 121.719 10.282 3.589 1.00 0.00 C ATOM 689 CG LYS A 55 120.401 11.039 3.585 1.00 0.00 C ATOM 690 CD LYS A 55 120.531 12.382 2.884 1.00 0.00 C ATOM 691 CE LYS A 55 120.843 13.496 3.869 1.00 0.00 C ATOM 692 NZ LYS A 55 122.300 13.589 4.160 1.00 0.00 N ATOM 0 H LYS A 55 120.673 9.649 6.459 1.00 0.00 H new ATOM 0 HA LYS A 55 121.189 8.485 4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 55 122.540 10.999 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 55 121.807 9.717 2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 55 119.638 10.440 3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 55 120.066 11.194 4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 55 121.320 12.327 2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.604 12.610 2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 55 120.492 14.446 3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 55 120.298 13.323 4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 122.504 14.498 4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 122.579 12.810 4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 122.836 13.524 3.271 1.00 0.00 H new ATOM 706 N SER A 56 123.833 8.631 6.033 1.00 0.00 N ATOM 707 CA SER A 56 125.184 8.115 6.202 1.00 0.00 C ATOM 708 C SER A 56 125.257 6.687 5.689 1.00 0.00 C ATOM 709 O SER A 56 125.953 6.394 4.718 1.00 0.00 O ATOM 710 CB SER A 56 125.599 8.170 7.673 1.00 0.00 C ATOM 711 OG SER A 56 126.947 7.763 7.838 1.00 0.00 O ATOM 0 H SER A 56 123.353 8.856 6.904 1.00 0.00 H new ATOM 0 HA SER A 56 125.872 8.736 5.628 1.00 0.00 H new ATOM 0 HB2 SER A 56 125.473 9.184 8.052 1.00 0.00 H new ATOM 0 HB3 SER A 56 124.947 7.526 8.263 1.00 0.00 H new ATOM 0 HG SER A 56 127.189 7.809 8.787 1.00 0.00 H new ATOM 717 N THR A 57 124.516 5.805 6.345 1.00 0.00 N ATOM 718 CA THR A 57 124.472 4.404 5.958 1.00 0.00 C ATOM 719 C THR A 57 123.035 3.907 5.871 1.00 0.00 C ATOM 720 O THR A 57 122.780 2.703 5.884 1.00 0.00 O ATOM 721 CB THR A 57 125.270 3.561 6.947 1.00 0.00 C ATOM 722 OG1 THR A 57 125.478 2.254 6.444 1.00 0.00 O ATOM 723 CG2 THR A 57 124.616 3.436 8.306 1.00 0.00 C ATOM 0 H THR A 57 123.935 6.037 7.151 1.00 0.00 H new ATOM 0 HA THR A 57 124.921 4.307 4.970 1.00 0.00 H new ATOM 0 HB THR A 57 126.215 4.090 7.071 1.00 0.00 H new ATOM 0 HG1 THR A 57 124.650 1.924 6.037 1.00 0.00 H new ATOM 0 HG21 THR A 57 125.241 2.823 8.955 1.00 0.00 H new ATOM 0 HG22 THR A 57 124.498 4.426 8.745 1.00 0.00 H new ATOM 0 HG23 THR A 57 123.637 2.968 8.197 1.00 0.00 H new ATOM 731 N ALA A 58 122.100 4.844 5.765 1.00 0.00 N ATOM 732 CA ALA A 58 120.691 4.501 5.653 1.00 0.00 C ATOM 733 C ALA A 58 120.399 3.992 4.252 1.00 0.00 C ATOM 734 O ALA A 58 119.666 3.021 4.067 1.00 0.00 O ATOM 735 CB ALA A 58 119.821 5.707 5.980 1.00 0.00 C ATOM 0 H ALA A 58 122.294 5.845 5.754 1.00 0.00 H new ATOM 0 HA ALA A 58 120.458 3.714 6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 58 118.770 5.432 5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 58 120.025 6.037 6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 58 120.044 6.516 5.285 1.00 0.00 H new ATOM 741 N ALA A 59 121.001 4.650 3.268 1.00 0.00 N ATOM 742 CA ALA A 59 120.834 4.263 1.876 1.00 0.00 C ATOM 743 C ALA A 59 121.696 3.048 1.549 1.00 0.00 C ATOM 744 O ALA A 59 121.419 2.316 0.598 1.00 0.00 O ATOM 745 CB ALA A 59 121.184 5.425 0.959 1.00 0.00 C ATOM 0 H ALA A 59 121.610 5.456 3.411 1.00 0.00 H new ATOM 0 HA ALA A 59 119.790 3.995 1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 59 121.054 5.121 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 59 120.528 6.269 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 59 122.220 5.719 1.124 1.00 0.00 H new ATOM 751 N MET A 60 122.745 2.832 2.346 1.00 0.00 N ATOM 752 CA MET A 60 123.641 1.701 2.137 1.00 0.00 C ATOM 753 C MET A 60 123.088 0.440 2.797 1.00 0.00 C ATOM 754 O MET A 60 123.384 -0.675 2.368 1.00 0.00 O ATOM 755 CB MET A 60 125.030 2.015 2.694 1.00 0.00 C ATOM 756 CG MET A 60 126.104 1.044 2.232 1.00 0.00 C ATOM 757 SD MET A 60 127.553 1.047 3.304 1.00 0.00 S ATOM 758 CE MET A 60 127.155 -0.302 4.414 1.00 0.00 C ATOM 0 H MET A 60 122.991 3.425 3.138 1.00 0.00 H new ATOM 0 HA MET A 60 123.719 1.524 1.064 1.00 0.00 H new ATOM 0 HB2 MET A 60 125.312 3.025 2.396 1.00 0.00 H new ATOM 0 HB3 MET A 60 124.987 2.005 3.783 1.00 0.00 H new ATOM 0 HG2 MET A 60 125.687 0.038 2.195 1.00 0.00 H new ATOM 0 HG3 MET A 60 126.408 1.301 1.217 1.00 0.00 H new ATOM 0 HE1 MET A 60 127.959 -0.426 5.139 1.00 0.00 H new ATOM 0 HE2 MET A 60 126.225 -0.080 4.937 1.00 0.00 H new ATOM 0 HE3 MET A 60 127.038 -1.222 3.841 1.00 0.00 H new ATOM 768 N SER A 61 122.285 0.624 3.842 1.00 0.00 N ATOM 769 CA SER A 61 121.694 -0.501 4.557 1.00 0.00 C ATOM 770 C SER A 61 120.196 -0.591 4.288 1.00 0.00 C ATOM 771 O SER A 61 119.418 -0.956 5.168 1.00 0.00 O ATOM 772 CB SER A 61 121.946 -0.368 6.059 1.00 0.00 C ATOM 773 OG SER A 61 123.330 -0.440 6.354 1.00 0.00 O ATOM 0 H SER A 61 122.030 1.540 4.211 1.00 0.00 H new ATOM 0 HA SER A 61 122.165 -1.415 4.196 1.00 0.00 H new ATOM 0 HB2 SER A 61 121.544 0.581 6.415 1.00 0.00 H new ATOM 0 HB3 SER A 61 121.416 -1.158 6.591 1.00 0.00 H new ATOM 0 HG SER A 61 123.464 -0.351 7.321 1.00 0.00 H new ATOM 779 N THR A 62 119.800 -0.254 3.066 1.00 0.00 N ATOM 780 CA THR A 62 118.396 -0.298 2.678 1.00 0.00 C ATOM 781 C THR A 62 118.106 -1.509 1.801 1.00 0.00 C ATOM 782 O THR A 62 116.949 -1.881 1.605 1.00 0.00 O ATOM 783 CB THR A 62 118.007 0.977 1.932 1.00 0.00 C ATOM 784 OG1 THR A 62 119.097 1.880 1.868 1.00 0.00 O ATOM 785 CG2 THR A 62 116.840 1.707 2.561 1.00 0.00 C ATOM 0 H THR A 62 120.432 0.053 2.327 1.00 0.00 H new ATOM 0 HA THR A 62 117.804 -0.378 3.590 1.00 0.00 H new ATOM 0 HB THR A 62 117.714 0.646 0.936 1.00 0.00 H new ATOM 0 HG1 THR A 62 119.217 2.310 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 62 116.616 2.603 1.982 1.00 0.00 H new ATOM 0 HG22 THR A 62 115.967 1.055 2.573 1.00 0.00 H new ATOM 0 HG23 THR A 62 117.096 1.990 3.582 1.00 0.00 H new ATOM 793 N TYR A 63 119.162 -2.119 1.272 1.00 0.00 N ATOM 794 CA TYR A 63 119.021 -3.288 0.414 1.00 0.00 C ATOM 795 C TYR A 63 118.054 -4.296 1.021 1.00 0.00 C ATOM 796 O TYR A 63 117.402 -5.055 0.304 1.00 0.00 O ATOM 797 CB TYR A 63 120.377 -3.947 0.187 1.00 0.00 C ATOM 798 CG TYR A 63 121.045 -3.535 -1.107 1.00 0.00 C ATOM 799 CD1 TYR A 63 121.509 -2.238 -1.288 1.00 0.00 C ATOM 800 CD2 TYR A 63 121.212 -4.443 -2.145 1.00 0.00 C ATOM 801 CE1 TYR A 63 122.120 -1.858 -2.468 1.00 0.00 C ATOM 802 CE2 TYR A 63 121.823 -4.070 -3.327 1.00 0.00 C ATOM 803 CZ TYR A 63 122.274 -2.777 -3.484 1.00 0.00 C ATOM 804 OH TYR A 63 122.882 -2.403 -4.660 1.00 0.00 O ATOM 0 H TYR A 63 120.126 -1.822 1.423 1.00 0.00 H new ATOM 0 HA TYR A 63 118.620 -2.955 -0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 63 121.035 -3.700 1.020 1.00 0.00 H new ATOM 0 HB3 TYR A 63 120.250 -5.030 0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 63 121.390 -1.515 -0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 63 120.859 -5.457 -2.026 1.00 0.00 H new ATOM 0 HE1 TYR A 63 122.475 -0.846 -2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 63 121.947 -4.788 -4.124 1.00 0.00 H new ATOM 0 HH TYR A 63 123.128 -3.203 -5.170 1.00 0.00 H new ATOM 814 N THR A 64 117.951 -4.287 2.346 1.00 0.00 N ATOM 815 CA THR A 64 117.046 -5.190 3.044 1.00 0.00 C ATOM 816 C THR A 64 115.652 -5.133 2.424 1.00 0.00 C ATOM 817 O THR A 64 114.894 -6.101 2.483 1.00 0.00 O ATOM 818 CB THR A 64 116.973 -4.832 4.529 1.00 0.00 C ATOM 819 OG1 THR A 64 118.263 -4.866 5.116 1.00 0.00 O ATOM 820 CG2 THR A 64 116.082 -5.759 5.327 1.00 0.00 C ATOM 0 H THR A 64 118.482 -3.666 2.956 1.00 0.00 H new ATOM 0 HA THR A 64 117.432 -6.205 2.946 1.00 0.00 H new ATOM 0 HB THR A 64 116.548 -3.829 4.563 1.00 0.00 H new ATOM 0 HG1 THR A 64 118.197 -4.633 6.065 1.00 0.00 H new ATOM 0 HG21 THR A 64 116.076 -5.448 6.372 1.00 0.00 H new ATOM 0 HG22 THR A 64 115.067 -5.719 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 64 116.460 -6.779 5.254 1.00 0.00 H new ATOM 828 N GLY A 65 115.325 -3.990 1.822 1.00 0.00 N ATOM 829 CA GLY A 65 114.029 -3.829 1.191 1.00 0.00 C ATOM 830 C GLY A 65 114.130 -3.618 -0.310 1.00 0.00 C ATOM 831 O GLY A 65 113.113 -3.457 -0.986 1.00 0.00 O ATOM 0 H GLY A 65 115.935 -3.175 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 65 113.421 -4.711 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 65 113.514 -2.979 1.639 1.00 0.00 H new ATOM 835 N ILE A 66 115.354 -3.617 -0.836 1.00 0.00 N ATOM 836 CA ILE A 66 115.571 -3.422 -2.261 1.00 0.00 C ATOM 837 C ILE A 66 116.128 -4.687 -2.916 1.00 0.00 C ATOM 838 O ILE A 66 116.189 -4.783 -4.140 1.00 0.00 O ATOM 839 CB ILE A 66 116.545 -2.259 -2.520 1.00 0.00 C ATOM 840 CG1 ILE A 66 116.237 -1.083 -1.591 1.00 0.00 C ATOM 841 CG2 ILE A 66 116.479 -1.819 -3.976 1.00 0.00 C ATOM 842 CD1 ILE A 66 114.864 -0.484 -1.808 1.00 0.00 C ATOM 0 H ILE A 66 116.208 -3.749 -0.294 1.00 0.00 H new ATOM 0 HA ILE A 66 114.601 -3.187 -2.699 1.00 0.00 H new ATOM 0 HB ILE A 66 117.557 -2.607 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 66 116.320 -1.416 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 66 116.990 -0.308 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 66 117.175 -0.996 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.748 -2.655 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 66 115.467 -1.490 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 66 114.715 0.344 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 66 114.784 -0.119 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.103 -1.245 -1.633 1.00 0.00 H new ATOM 854 N PHE A 67 116.531 -5.657 -2.093 1.00 0.00 N ATOM 855 CA PHE A 67 117.081 -6.914 -2.599 1.00 0.00 C ATOM 856 C PHE A 67 116.245 -7.453 -3.756 1.00 0.00 C ATOM 857 O PHE A 67 116.761 -8.118 -4.653 1.00 0.00 O ATOM 858 CB PHE A 67 117.148 -7.952 -1.476 1.00 0.00 C ATOM 859 CG PHE A 67 118.386 -8.803 -1.519 1.00 0.00 C ATOM 860 CD1 PHE A 67 119.610 -8.286 -1.125 1.00 0.00 C ATOM 861 CD2 PHE A 67 118.324 -10.117 -1.952 1.00 0.00 C ATOM 862 CE1 PHE A 67 120.750 -9.066 -1.163 1.00 0.00 C ATOM 863 CE2 PHE A 67 119.461 -10.901 -1.993 1.00 0.00 C ATOM 864 CZ PHE A 67 120.676 -10.375 -1.597 1.00 0.00 C ATOM 0 H PHE A 67 116.487 -5.596 -1.076 1.00 0.00 H new ATOM 0 HA PHE A 67 118.088 -6.717 -2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 67 117.102 -7.439 -0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 67 116.271 -8.597 -1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 67 119.673 -7.263 -0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 67 117.377 -10.533 -2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 67 121.698 -8.652 -0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 67 119.400 -11.924 -2.334 1.00 0.00 H new ATOM 0 HZ PHE A 67 121.566 -10.986 -1.627 1.00 0.00 H new ATOM 874 N THR A 68 114.951 -7.151 -3.731 1.00 0.00 N ATOM 875 CA THR A 68 114.042 -7.594 -4.779 1.00 0.00 C ATOM 876 C THR A 68 113.612 -6.423 -5.656 1.00 0.00 C ATOM 877 O THR A 68 113.233 -6.610 -6.813 1.00 0.00 O ATOM 878 CB THR A 68 112.811 -8.267 -4.167 1.00 0.00 C ATOM 879 OG1 THR A 68 113.133 -8.864 -2.923 1.00 0.00 O ATOM 880 CG2 THR A 68 112.215 -9.341 -5.051 1.00 0.00 C ATOM 0 H THR A 68 114.509 -6.600 -2.995 1.00 0.00 H new ATOM 0 HA THR A 68 114.570 -8.317 -5.401 1.00 0.00 H new ATOM 0 HB THR A 68 112.077 -7.471 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 68 112.333 -9.287 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 68 111.346 -9.777 -4.558 1.00 0.00 H new ATOM 0 HG22 THR A 68 111.911 -8.903 -6.001 1.00 0.00 H new ATOM 0 HG23 THR A 68 112.958 -10.118 -5.231 1.00 0.00 H new ATOM 888 N ASP A 69 113.678 -5.214 -5.105 1.00 0.00 N ATOM 889 CA ASP A 69 113.298 -4.020 -5.848 1.00 0.00 C ATOM 890 C ASP A 69 114.367 -3.670 -6.877 1.00 0.00 C ATOM 891 O ASP A 69 114.058 -3.212 -7.977 1.00 0.00 O ATOM 892 CB ASP A 69 113.083 -2.842 -4.895 1.00 0.00 C ATOM 893 CG ASP A 69 112.175 -3.194 -3.732 1.00 0.00 C ATOM 894 OD1 ASP A 69 111.691 -4.345 -3.682 1.00 0.00 O ATOM 895 OD2 ASP A 69 111.948 -2.319 -2.872 1.00 0.00 O ATOM 0 H ASP A 69 113.990 -5.037 -4.150 1.00 0.00 H new ATOM 0 HA ASP A 69 112.363 -4.225 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 69 114.047 -2.509 -4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 69 112.654 -2.006 -5.447 1.00 0.00 H new ATOM 900 N GLN A 70 115.624 -3.896 -6.512 1.00 0.00 N ATOM 901 CA GLN A 70 116.740 -3.613 -7.405 1.00 0.00 C ATOM 902 C GLN A 70 116.720 -4.557 -8.602 1.00 0.00 C ATOM 903 O GLN A 70 117.138 -4.192 -9.701 1.00 0.00 O ATOM 904 CB GLN A 70 118.068 -3.745 -6.656 1.00 0.00 C ATOM 905 CG GLN A 70 119.285 -3.456 -7.518 1.00 0.00 C ATOM 906 CD GLN A 70 120.555 -3.312 -6.704 1.00 0.00 C ATOM 907 OE1 GLN A 70 121.060 -4.285 -6.144 1.00 0.00 O ATOM 908 NE2 GLN A 70 121.079 -2.093 -6.635 1.00 0.00 N ATOM 0 H GLN A 70 115.895 -4.274 -5.604 1.00 0.00 H new ATOM 0 HA GLN A 70 116.639 -2.589 -7.766 1.00 0.00 H new ATOM 0 HB2 GLN A 70 118.065 -3.063 -5.806 1.00 0.00 H new ATOM 0 HB3 GLN A 70 118.150 -4.755 -6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 70 119.412 -4.260 -8.243 1.00 0.00 H new ATOM 0 HG3 GLN A 70 119.115 -2.540 -8.085 1.00 0.00 H new ATOM 0 HE21 GLN A 70 120.626 -1.315 -7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 70 121.934 -1.935 -6.102 1.00 0.00 H new ATOM 917 N VAL A 71 116.230 -5.774 -8.380 1.00 0.00 N ATOM 918 CA VAL A 71 116.151 -6.771 -9.437 1.00 0.00 C ATOM 919 C VAL A 71 114.867 -6.606 -10.245 1.00 0.00 C ATOM 920 O VAL A 71 114.876 -6.707 -11.471 1.00 0.00 O ATOM 921 CB VAL A 71 116.204 -8.193 -8.852 1.00 0.00 C ATOM 922 CG1 VAL A 71 116.090 -9.239 -9.951 1.00 0.00 C ATOM 923 CG2 VAL A 71 117.480 -8.391 -8.047 1.00 0.00 C ATOM 0 H VAL A 71 115.882 -6.091 -7.475 1.00 0.00 H new ATOM 0 HA VAL A 71 117.008 -6.622 -10.094 1.00 0.00 H new ATOM 0 HB VAL A 71 115.353 -8.317 -8.183 1.00 0.00 H new ATOM 0 HG11 VAL A 71 116.130 -10.235 -9.511 1.00 0.00 H new ATOM 0 HG12 VAL A 71 115.144 -9.113 -10.477 1.00 0.00 H new ATOM 0 HG13 VAL A 71 116.914 -9.120 -10.654 1.00 0.00 H new ATOM 0 HG21 VAL A 71 117.501 -9.402 -7.641 1.00 0.00 H new ATOM 0 HG22 VAL A 71 118.345 -8.242 -8.693 1.00 0.00 H new ATOM 0 HG23 VAL A 71 117.510 -7.671 -7.229 1.00 0.00 H new ATOM 933 N LEU A 72 113.766 -6.352 -9.545 1.00 0.00 N ATOM 934 CA LEU A 72 112.473 -6.173 -10.194 1.00 0.00 C ATOM 935 C LEU A 72 112.516 -5.007 -11.178 1.00 0.00 C ATOM 936 O LEU A 72 111.773 -4.982 -12.159 1.00 0.00 O ATOM 937 CB LEU A 72 111.382 -5.935 -9.147 1.00 0.00 C ATOM 938 CG LEU A 72 110.565 -7.173 -8.773 1.00 0.00 C ATOM 939 CD1 LEU A 72 111.474 -8.277 -8.258 1.00 0.00 C ATOM 940 CD2 LEU A 72 109.510 -6.820 -7.735 1.00 0.00 C ATOM 0 H LEU A 72 113.744 -6.266 -8.529 1.00 0.00 H new ATOM 0 HA LEU A 72 112.242 -7.083 -10.748 1.00 0.00 H new ATOM 0 HB2 LEU A 72 111.846 -5.538 -8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 72 110.703 -5.169 -9.520 1.00 0.00 H new ATOM 0 HG LEU A 72 110.059 -7.536 -9.668 1.00 0.00 H new ATOM 0 HD11 LEU A 72 110.875 -9.149 -7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 72 112.192 -8.548 -9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 72 112.008 -7.926 -7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 72 108.938 -7.712 -7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 72 109.996 -6.432 -6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 72 108.840 -6.062 -8.141 1.00 0.00 H new ATOM 952 N SER A 73 113.393 -4.046 -10.910 1.00 0.00 N ATOM 953 CA SER A 73 113.533 -2.880 -11.773 1.00 0.00 C ATOM 954 C SER A 73 114.356 -3.216 -13.011 1.00 0.00 C ATOM 955 O SER A 73 114.162 -2.625 -14.074 1.00 0.00 O ATOM 956 CB SER A 73 114.187 -1.727 -11.012 1.00 0.00 C ATOM 957 OG SER A 73 113.318 -1.213 -10.016 1.00 0.00 O ATOM 0 H SER A 73 114.017 -4.052 -10.103 1.00 0.00 H new ATOM 0 HA SER A 73 112.536 -2.576 -12.091 1.00 0.00 H new ATOM 0 HB2 SER A 73 115.112 -2.071 -10.549 1.00 0.00 H new ATOM 0 HB3 SER A 73 114.456 -0.933 -11.709 1.00 0.00 H new ATOM 0 HG SER A 73 113.398 -1.753 -9.202 1.00 0.00 H new ATOM 963 N VAL A 74 115.273 -4.168 -12.870 1.00 0.00 N ATOM 964 CA VAL A 74 116.120 -4.577 -13.985 1.00 0.00 C ATOM 965 C VAL A 74 115.271 -5.056 -15.157 1.00 0.00 C ATOM 966 O VAL A 74 115.649 -4.894 -16.318 1.00 0.00 O ATOM 967 CB VAL A 74 117.103 -5.689 -13.568 1.00 0.00 C ATOM 968 CG1 VAL A 74 117.908 -6.181 -14.764 1.00 0.00 C ATOM 969 CG2 VAL A 74 118.028 -5.189 -12.471 1.00 0.00 C ATOM 0 H VAL A 74 115.448 -4.669 -11.999 1.00 0.00 H new ATOM 0 HA VAL A 74 116.697 -3.705 -14.292 1.00 0.00 H new ATOM 0 HB VAL A 74 116.526 -6.529 -13.182 1.00 0.00 H new ATOM 0 HG11 VAL A 74 118.594 -6.965 -14.443 1.00 0.00 H new ATOM 0 HG12 VAL A 74 117.231 -6.578 -15.520 1.00 0.00 H new ATOM 0 HG13 VAL A 74 118.476 -5.352 -15.186 1.00 0.00 H new ATOM 0 HG21 VAL A 74 118.717 -5.984 -12.186 1.00 0.00 H new ATOM 0 HG22 VAL A 74 118.594 -4.332 -12.835 1.00 0.00 H new ATOM 0 HG23 VAL A 74 117.437 -4.892 -11.604 1.00 0.00 H new ATOM 979 N LEU A 75 114.117 -5.635 -14.846 1.00 0.00 N ATOM 980 CA LEU A 75 113.209 -6.123 -15.875 1.00 0.00 C ATOM 981 C LEU A 75 112.788 -4.984 -16.799 1.00 0.00 C ATOM 982 O LEU A 75 112.413 -5.211 -17.950 1.00 0.00 O ATOM 983 CB LEU A 75 111.975 -6.765 -15.238 1.00 0.00 C ATOM 984 CG LEU A 75 112.129 -8.243 -14.874 1.00 0.00 C ATOM 985 CD1 LEU A 75 112.441 -9.068 -16.113 1.00 0.00 C ATOM 986 CD2 LEU A 75 113.215 -8.422 -13.824 1.00 0.00 C ATOM 0 H LEU A 75 113.789 -5.777 -13.891 1.00 0.00 H new ATOM 0 HA LEU A 75 113.732 -6.877 -16.464 1.00 0.00 H new ATOM 0 HB2 LEU A 75 111.720 -6.209 -14.336 1.00 0.00 H new ATOM 0 HB3 LEU A 75 111.135 -6.661 -15.925 1.00 0.00 H new ATOM 0 HG LEU A 75 111.186 -8.596 -14.456 1.00 0.00 H new ATOM 0 HD11 LEU A 75 112.547 -10.117 -15.835 1.00 0.00 H new ATOM 0 HD12 LEU A 75 111.629 -8.964 -16.833 1.00 0.00 H new ATOM 0 HD13 LEU A 75 113.370 -8.715 -16.560 1.00 0.00 H new ATOM 0 HD21 LEU A 75 113.311 -9.479 -13.577 1.00 0.00 H new ATOM 0 HD22 LEU A 75 114.163 -8.053 -14.215 1.00 0.00 H new ATOM 0 HD23 LEU A 75 112.950 -7.862 -12.927 1.00 0.00 H new ATOM 998 N LYS A 76 112.857 -3.757 -16.286 1.00 0.00 N ATOM 999 CA LYS A 76 112.489 -2.581 -17.063 1.00 0.00 C ATOM 1000 C LYS A 76 112.702 -1.310 -16.250 1.00 0.00 C ATOM 1001 O LYS A 76 112.048 -1.093 -15.230 1.00 0.00 O ATOM 1002 CB LYS A 76 111.033 -2.675 -17.526 1.00 0.00 C ATOM 1003 CG LYS A 76 110.884 -3.039 -18.995 1.00 0.00 C ATOM 1004 CD LYS A 76 110.414 -1.851 -19.820 1.00 0.00 C ATOM 1005 CE LYS A 76 109.017 -1.410 -19.414 1.00 0.00 C ATOM 1006 NZ LYS A 76 108.881 0.073 -19.411 1.00 0.00 N ATOM 0 H LYS A 76 113.165 -3.554 -15.335 1.00 0.00 H new ATOM 0 HA LYS A 76 113.132 -2.541 -17.942 1.00 0.00 H new ATOM 0 HB2 LYS A 76 110.516 -3.420 -16.921 1.00 0.00 H new ATOM 0 HB3 LYS A 76 110.541 -1.720 -17.345 1.00 0.00 H new ATOM 0 HG2 LYS A 76 111.839 -3.396 -19.381 1.00 0.00 H new ATOM 0 HG3 LYS A 76 110.172 -3.858 -19.097 1.00 0.00 H new ATOM 0 HD2 LYS A 76 111.110 -1.021 -19.695 1.00 0.00 H new ATOM 0 HD3 LYS A 76 110.421 -2.115 -20.877 1.00 0.00 H new ATOM 0 HE2 LYS A 76 108.287 -1.840 -20.100 1.00 0.00 H new ATOM 0 HE3 LYS A 76 108.788 -1.797 -18.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 107.914 0.332 -19.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 109.560 0.482 -18.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 109.074 0.441 -20.364 1.00 0.00 H new ATOM 1020 N GLY A 77 113.634 -0.483 -16.706 1.00 0.00 N ATOM 1021 CA GLY A 77 113.938 0.752 -16.013 1.00 0.00 C ATOM 1022 C GLY A 77 115.341 0.750 -15.437 1.00 0.00 C ATOM 1023 O GLY A 77 115.826 1.776 -14.961 1.00 0.00 O ATOM 0 H GLY A 77 114.187 -0.647 -17.547 1.00 0.00 H new ATOM 0 HA2 GLY A 77 113.830 1.590 -16.702 1.00 0.00 H new ATOM 0 HA3 GLY A 77 113.217 0.904 -15.210 1.00 0.00 H new ATOM 1027 N GLU A 78 115.996 -0.411 -15.488 1.00 0.00 N ATOM 1028 CA GLU A 78 117.355 -0.556 -14.977 1.00 0.00 C ATOM 1029 C GLU A 78 117.515 0.125 -13.620 1.00 0.00 C ATOM 1030 O GLU A 78 118.593 0.613 -13.282 1.00 0.00 O ATOM 1031 CB GLU A 78 118.347 0.022 -15.980 1.00 0.00 C ATOM 1032 CG GLU A 78 119.802 -0.214 -15.607 1.00 0.00 C ATOM 1033 CD GLU A 78 120.714 -0.252 -16.817 1.00 0.00 C ATOM 1034 OE1 GLU A 78 120.503 -1.117 -17.693 1.00 0.00 O ATOM 1035 OE2 GLU A 78 121.639 0.584 -16.890 1.00 0.00 O ATOM 0 H GLU A 78 115.603 -1.267 -15.880 1.00 0.00 H new ATOM 0 HA GLU A 78 117.557 -1.618 -14.840 1.00 0.00 H new ATOM 0 HB2 GLU A 78 118.157 -0.417 -16.960 1.00 0.00 H new ATOM 0 HB3 GLU A 78 118.174 1.094 -16.072 1.00 0.00 H new ATOM 0 HG2 GLU A 78 120.133 0.575 -14.932 1.00 0.00 H new ATOM 0 HG3 GLU A 78 119.886 -1.155 -15.063 1.00 0.00 H new ATOM 1042 N GLU A 79 116.433 0.153 -12.851 1.00 0.00 N ATOM 1043 CA GLU A 79 116.450 0.774 -11.530 1.00 0.00 C ATOM 1044 C GLU A 79 116.780 -0.252 -10.451 1.00 0.00 C ATOM 1045 O GLU A 79 117.223 -1.364 -10.808 1.00 0.00 O ATOM 1046 CB GLU A 79 115.100 1.429 -11.235 1.00 0.00 C ATOM 1047 CG GLU A 79 115.214 2.744 -10.480 1.00 0.00 C ATOM 1048 CD GLU A 79 115.145 2.560 -8.977 1.00 0.00 C ATOM 1049 OE1 GLU A 79 114.088 2.114 -8.481 1.00 0.00 O ATOM 1050 OE2 GLU A 79 116.147 2.862 -8.296 1.00 0.00 O ATOM 1051 OXT GLU A 79 116.592 0.066 -9.258 1.00 0.00 O ATOM 0 H GLU A 79 115.533 -0.246 -13.118 1.00 0.00 H new ATOM 0 HA GLU A 79 117.225 1.540 -11.525 1.00 0.00 H new ATOM 0 HB2 GLU A 79 114.577 1.604 -12.175 1.00 0.00 H new ATOM 0 HB3 GLU A 79 114.489 0.738 -10.654 1.00 0.00 H new ATOM 0 HG2 GLU A 79 116.155 3.228 -10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 79 114.413 3.412 -10.798 1.00 0.00 H new TER 1058 GLU A 79