USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=22 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= -0.0668 USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 31 THR OG1 : rot -18:sc= 0.369 USER MOD Single : A 13 THR OG1 : rot 26:sc= 0.0409 USER MOD Single : A 16 THR OG1 : rot 86:sc= 0.23 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.85) 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 180:sc= 0 USER MOD Single : A 24 SER OG : rot -28:sc= 1.13 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.26 X(o=0.26,f=-0.014) USER MOD Single : A 35 ASN : amide:sc= -0.398 X(o=-0.4,f=0) 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= -0.0106 USER MOD Single : A 41 TYR OH : rot 110:sc= -1.67 USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.176) USER MOD Single : A 53 TYR OH : rot 165:sc=-0.00307 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -99:sc= 1.14 USER MOD Single : A 62 THR OG1 : rot 81:sc= 0.0695 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.03) USER MOD Single : A 73 SER OG : rot 88:sc= 0.00769 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 90.226 -19.557 -3.641 1.00 0.00 N ATOM 2 CA THR A 13 88.777 -19.709 -3.934 1.00 0.00 C ATOM 3 C THR A 13 87.980 -18.519 -3.399 1.00 0.00 C ATOM 4 O THR A 13 87.793 -17.526 -4.101 1.00 0.00 O ATOM 5 CB THR A 13 88.293 -21.020 -3.306 1.00 0.00 C ATOM 6 OG1 THR A 13 88.948 -22.129 -3.895 1.00 0.00 O ATOM 7 CG2 THR A 13 86.802 -21.241 -3.445 1.00 0.00 C ATOM 0 HA THR A 13 88.622 -19.737 -5.013 1.00 0.00 H new ATOM 0 HB THR A 13 88.532 -20.935 -2.246 1.00 0.00 H new ATOM 0 HG1 THR A 13 89.817 -21.846 -4.248 1.00 0.00 H new ATOM 0 HG21 THR A 13 86.529 -22.188 -2.978 1.00 0.00 H new ATOM 0 HG22 THR A 13 86.266 -20.428 -2.956 1.00 0.00 H new ATOM 0 HG23 THR A 13 86.535 -21.267 -4.501 1.00 0.00 H new ATOM 15 N PHE A 14 87.520 -18.617 -2.154 1.00 0.00 N ATOM 16 CA PHE A 14 86.759 -17.540 -1.539 1.00 0.00 C ATOM 17 C PHE A 14 87.680 -16.383 -1.168 1.00 0.00 C ATOM 18 O PHE A 14 87.249 -15.233 -1.084 1.00 0.00 O ATOM 19 CB PHE A 14 86.027 -18.046 -0.294 1.00 0.00 C ATOM 20 CG PHE A 14 85.121 -17.023 0.329 1.00 0.00 C ATOM 21 CD1 PHE A 14 85.624 -16.080 1.210 1.00 0.00 C ATOM 22 CD2 PHE A 14 83.768 -17.004 0.033 1.00 0.00 C ATOM 23 CE1 PHE A 14 84.794 -15.137 1.786 1.00 0.00 C ATOM 24 CE2 PHE A 14 82.933 -16.064 0.605 1.00 0.00 C ATOM 25 CZ PHE A 14 83.447 -15.128 1.482 1.00 0.00 C ATOM 0 H PHE A 14 87.662 -19.430 -1.555 1.00 0.00 H new ATOM 0 HA PHE A 14 86.022 -17.186 -2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 14 85.440 -18.925 -0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 14 86.762 -18.366 0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 14 86.677 -16.082 1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 14 83.361 -17.732 -0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 14 85.198 -14.408 2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 14 81.880 -16.061 0.367 1.00 0.00 H new ATOM 0 HZ PHE A 14 82.796 -14.391 1.929 1.00 0.00 H new ATOM 35 N LEU A 15 88.954 -16.698 -0.953 1.00 0.00 N ATOM 36 CA LEU A 15 89.941 -15.687 -0.599 1.00 0.00 C ATOM 37 C LEU A 15 90.338 -14.867 -1.823 1.00 0.00 C ATOM 38 O LEU A 15 90.725 -13.705 -1.706 1.00 0.00 O ATOM 39 CB LEU A 15 91.180 -16.343 0.012 1.00 0.00 C ATOM 40 CG LEU A 15 91.907 -17.332 -0.900 1.00 0.00 C ATOM 41 CD1 LEU A 15 92.978 -16.621 -1.712 1.00 0.00 C ATOM 42 CD2 LEU A 15 92.517 -18.461 -0.084 1.00 0.00 C ATOM 0 H LEU A 15 89.326 -17.646 -1.018 1.00 0.00 H new ATOM 0 HA LEU A 15 89.493 -15.019 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 15 91.880 -15.560 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 15 90.885 -16.863 0.923 1.00 0.00 H new ATOM 0 HG LEU A 15 91.181 -17.761 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 15 93.485 -17.341 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 15 92.516 -15.848 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 15 93.702 -16.164 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 15 93.030 -19.155 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 15 93.230 -18.049 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 15 91.729 -18.989 0.453 1.00 0.00 H new ATOM 54 N THR A 16 90.237 -15.481 -3.001 1.00 0.00 N ATOM 55 CA THR A 16 90.584 -14.806 -4.245 1.00 0.00 C ATOM 56 C THR A 16 89.712 -13.577 -4.456 1.00 0.00 C ATOM 57 O THR A 16 90.178 -12.553 -4.955 1.00 0.00 O ATOM 58 CB THR A 16 90.440 -15.763 -5.429 1.00 0.00 C ATOM 59 OG1 THR A 16 91.211 -16.934 -5.225 1.00 0.00 O ATOM 60 CG2 THR A 16 90.868 -15.155 -6.747 1.00 0.00 C ATOM 0 H THR A 16 89.918 -16.443 -3.117 1.00 0.00 H new ATOM 0 HA THR A 16 91.623 -14.483 -4.177 1.00 0.00 H new ATOM 0 HB THR A 16 89.376 -15.995 -5.484 1.00 0.00 H new ATOM 0 HG1 THR A 16 90.687 -17.586 -4.714 1.00 0.00 H new ATOM 0 HG21 THR A 16 90.740 -15.887 -7.544 1.00 0.00 H new ATOM 0 HG22 THR A 16 90.257 -14.278 -6.959 1.00 0.00 H new ATOM 0 HG23 THR A 16 91.916 -14.861 -6.689 1.00 0.00 H new ATOM 68 N GLN A 17 88.444 -13.676 -4.069 1.00 0.00 N ATOM 69 CA GLN A 17 87.524 -12.560 -4.217 1.00 0.00 C ATOM 70 C GLN A 17 87.995 -11.379 -3.374 1.00 0.00 C ATOM 71 O GLN A 17 88.155 -10.267 -3.878 1.00 0.00 O ATOM 72 CB GLN A 17 86.096 -12.984 -3.833 1.00 0.00 C ATOM 73 CG GLN A 17 85.635 -12.484 -2.471 1.00 0.00 C ATOM 74 CD GLN A 17 84.131 -12.577 -2.295 1.00 0.00 C ATOM 75 OE1 GLN A 17 83.436 -13.195 -3.100 1.00 0.00 O ATOM 76 NE2 GLN A 17 83.620 -11.958 -1.236 1.00 0.00 N ATOM 0 H GLN A 17 88.035 -14.513 -3.654 1.00 0.00 H new ATOM 0 HA GLN A 17 87.509 -12.249 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 17 85.405 -12.619 -4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 17 86.038 -14.072 -3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 17 86.125 -13.065 -1.690 1.00 0.00 H new ATOM 0 HG3 GLN A 17 85.949 -11.448 -2.343 1.00 0.00 H new ATOM 0 HE21 GLN A 17 84.233 -11.457 -0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 17 82.615 -11.984 -1.066 1.00 0.00 H new ATOM 85 N VAL A 18 88.227 -11.630 -2.085 1.00 0.00 N ATOM 86 CA VAL A 18 88.693 -10.583 -1.184 1.00 0.00 C ATOM 87 C VAL A 18 90.044 -10.078 -1.648 1.00 0.00 C ATOM 88 O VAL A 18 90.351 -8.893 -1.535 1.00 0.00 O ATOM 89 CB VAL A 18 88.818 -11.064 0.276 1.00 0.00 C ATOM 90 CG1 VAL A 18 88.691 -9.888 1.232 1.00 0.00 C ATOM 91 CG2 VAL A 18 87.781 -12.131 0.598 1.00 0.00 C ATOM 0 H VAL A 18 88.100 -12.542 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 18 87.948 -9.788 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 18 89.804 -11.512 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.781 -10.242 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 18 89.481 -9.165 1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 18 87.720 -9.412 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 18 87.896 -12.449 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 18 86.781 -11.722 0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.923 -12.987 -0.062 1.00 0.00 H new ATOM 101 N LYS A 19 90.846 -10.987 -2.196 1.00 0.00 N ATOM 102 CA LYS A 19 92.160 -10.630 -2.703 1.00 0.00 C ATOM 103 C LYS A 19 92.031 -9.503 -3.718 1.00 0.00 C ATOM 104 O LYS A 19 92.959 -8.719 -3.913 1.00 0.00 O ATOM 105 CB LYS A 19 92.839 -11.843 -3.342 1.00 0.00 C ATOM 106 CG LYS A 19 94.340 -11.891 -3.111 1.00 0.00 C ATOM 107 CD LYS A 19 94.881 -13.304 -3.255 1.00 0.00 C ATOM 108 CE LYS A 19 95.516 -13.520 -4.620 1.00 0.00 C ATOM 109 NZ LYS A 19 96.398 -14.720 -4.638 1.00 0.00 N ATOM 0 H LYS A 19 90.606 -11.973 -2.298 1.00 0.00 H new ATOM 0 HA LYS A 19 92.777 -10.293 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 19 92.389 -12.752 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 19 92.645 -11.835 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 19 94.840 -11.235 -3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 19 94.568 -11.513 -2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 19 95.618 -13.494 -2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 19 94.073 -14.021 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 19 94.734 -13.633 -5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 19 96.096 -12.639 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 96.812 -14.833 -5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 97.160 -14.602 -3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 95.840 -15.565 -4.401 1.00 0.00 H new ATOM 123 N GLU A 20 90.861 -9.416 -4.346 1.00 0.00 N ATOM 124 CA GLU A 20 90.603 -8.366 -5.323 1.00 0.00 C ATOM 125 C GLU A 20 90.303 -7.052 -4.612 1.00 0.00 C ATOM 126 O GLU A 20 90.501 -5.972 -5.167 1.00 0.00 O ATOM 127 CB GLU A 20 89.432 -8.750 -6.227 1.00 0.00 C ATOM 128 CG GLU A 20 89.653 -10.044 -6.996 1.00 0.00 C ATOM 129 CD GLU A 20 89.157 -9.963 -8.426 1.00 0.00 C ATOM 130 OE1 GLU A 20 89.922 -9.495 -9.294 1.00 0.00 O ATOM 131 OE2 GLU A 20 88.002 -10.368 -8.677 1.00 0.00 O ATOM 0 H GLU A 20 90.082 -10.057 -4.196 1.00 0.00 H new ATOM 0 HA GLU A 20 91.493 -8.242 -5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 20 88.532 -8.848 -5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 20 89.252 -7.942 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 20 90.716 -10.285 -6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 20 89.142 -10.859 -6.483 1.00 0.00 H new ATOM 138 N SER A 21 89.823 -7.156 -3.374 1.00 0.00 N ATOM 139 CA SER A 21 89.491 -5.989 -2.574 1.00 0.00 C ATOM 140 C SER A 21 90.657 -5.594 -1.676 1.00 0.00 C ATOM 141 O SER A 21 91.103 -4.447 -1.697 1.00 0.00 O ATOM 142 CB SER A 21 88.266 -6.280 -1.720 1.00 0.00 C ATOM 143 OG SER A 21 87.175 -5.452 -2.086 1.00 0.00 O ATOM 0 H SER A 21 89.656 -8.046 -2.904 1.00 0.00 H new ATOM 0 HA SER A 21 89.279 -5.161 -3.250 1.00 0.00 H new ATOM 0 HB2 SER A 21 87.984 -7.327 -1.830 1.00 0.00 H new ATOM 0 HB3 SER A 21 88.507 -6.124 -0.669 1.00 0.00 H new ATOM 0 HG SER A 21 86.401 -5.662 -1.522 1.00 0.00 H new ATOM 149 N LEU A 22 91.157 -6.549 -0.889 1.00 0.00 N ATOM 150 CA LEU A 22 92.279 -6.274 0.001 1.00 0.00 C ATOM 151 C LEU A 22 93.477 -5.777 -0.799 1.00 0.00 C ATOM 152 O LEU A 22 94.375 -5.131 -0.260 1.00 0.00 O ATOM 153 CB LEU A 22 92.655 -7.524 0.800 1.00 0.00 C ATOM 154 CG LEU A 22 93.278 -8.652 -0.021 1.00 0.00 C ATOM 155 CD1 LEU A 22 94.787 -8.485 -0.097 1.00 0.00 C ATOM 156 CD2 LEU A 22 92.917 -10.004 0.576 1.00 0.00 C ATOM 0 H LEU A 22 90.806 -7.506 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 22 91.979 -5.496 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 22 93.354 -7.238 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 22 91.760 -7.905 1.293 1.00 0.00 H new ATOM 0 HG LEU A 22 92.878 -8.605 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 22 95.214 -9.297 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 22 95.024 -7.532 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 22 95.207 -8.506 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 22 93.368 -10.797 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 22 93.290 -10.062 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 22 91.834 -10.123 0.578 1.00 0.00 H new ATOM 168 N SER A 23 93.470 -6.074 -2.094 1.00 0.00 N ATOM 169 CA SER A 23 94.541 -5.650 -2.983 1.00 0.00 C ATOM 170 C SER A 23 94.175 -4.344 -3.682 1.00 0.00 C ATOM 171 O SER A 23 95.049 -3.626 -4.168 1.00 0.00 O ATOM 172 CB SER A 23 94.832 -6.735 -4.022 1.00 0.00 C ATOM 173 OG SER A 23 96.016 -6.445 -4.744 1.00 0.00 O ATOM 0 H SER A 23 92.731 -6.609 -2.551 1.00 0.00 H new ATOM 0 HA SER A 23 95.436 -5.485 -2.384 1.00 0.00 H new ATOM 0 HB2 SER A 23 94.932 -7.700 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 23 93.992 -6.817 -4.712 1.00 0.00 H new ATOM 0 HG SER A 23 96.181 -7.154 -5.400 1.00 0.00 H new ATOM 179 N SER A 24 92.877 -4.036 -3.729 1.00 0.00 N ATOM 180 CA SER A 24 92.413 -2.808 -4.369 1.00 0.00 C ATOM 181 C SER A 24 92.854 -1.576 -3.585 1.00 0.00 C ATOM 182 O SER A 24 92.787 -0.453 -4.087 1.00 0.00 O ATOM 183 CB SER A 24 90.890 -2.822 -4.513 1.00 0.00 C ATOM 184 OG SER A 24 90.257 -2.701 -3.251 1.00 0.00 O ATOM 0 H SER A 24 92.136 -4.616 -3.335 1.00 0.00 H new ATOM 0 HA SER A 24 92.862 -2.759 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 24 90.575 -2.004 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A 24 90.576 -3.748 -4.994 1.00 0.00 H new ATOM 0 HG SER A 24 90.841 -3.070 -2.556 1.00 0.00 H new ATOM 190 N TYR A 25 93.322 -1.793 -2.361 1.00 0.00 N ATOM 191 CA TYR A 25 93.794 -0.707 -1.516 1.00 0.00 C ATOM 192 C TYR A 25 95.296 -0.830 -1.297 1.00 0.00 C ATOM 193 O TYR A 25 95.927 0.055 -0.719 1.00 0.00 O ATOM 194 CB TYR A 25 93.062 -0.713 -0.172 1.00 0.00 C ATOM 195 CG TYR A 25 91.557 -0.646 -0.302 1.00 0.00 C ATOM 196 CD1 TYR A 25 90.954 0.262 -1.164 1.00 0.00 C ATOM 197 CD2 TYR A 25 90.738 -1.490 0.438 1.00 0.00 C ATOM 198 CE1 TYR A 25 89.579 0.327 -1.285 1.00 0.00 C ATOM 199 CE2 TYR A 25 89.362 -1.432 0.321 1.00 0.00 C ATOM 200 CZ TYR A 25 88.788 -0.522 -0.540 1.00 0.00 C ATOM 201 OH TYR A 25 87.419 -0.461 -0.658 1.00 0.00 O ATOM 0 H TYR A 25 93.384 -2.716 -1.932 1.00 0.00 H new ATOM 0 HA TYR A 25 93.585 0.238 -2.018 1.00 0.00 H new ATOM 0 HB2 TYR A 25 93.331 -1.617 0.375 1.00 0.00 H new ATOM 0 HB3 TYR A 25 93.405 0.134 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 25 91.570 0.928 -1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 25 91.184 -2.203 1.116 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.126 1.039 -1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.740 -2.097 0.902 1.00 0.00 H new ATOM 0 HH TYR A 25 87.010 -1.126 -0.066 1.00 0.00 H new ATOM 211 N TRP A 26 95.867 -1.927 -1.788 1.00 0.00 N ATOM 212 CA TRP A 26 97.297 -2.161 -1.674 1.00 0.00 C ATOM 213 C TRP A 26 98.000 -1.617 -2.909 1.00 0.00 C ATOM 214 O TRP A 26 99.184 -1.282 -2.871 1.00 0.00 O ATOM 215 CB TRP A 26 97.587 -3.655 -1.519 1.00 0.00 C ATOM 216 CG TRP A 26 99.036 -3.957 -1.291 1.00 0.00 C ATOM 217 CD1 TRP A 26 100.041 -3.893 -2.212 1.00 0.00 C ATOM 218 CD2 TRP A 26 99.644 -4.372 -0.061 1.00 0.00 C ATOM 219 NE1 TRP A 26 101.235 -4.242 -1.632 1.00 0.00 N ATOM 220 CE2 TRP A 26 101.018 -4.540 -0.312 1.00 0.00 C ATOM 221 CE3 TRP A 26 99.159 -4.615 1.227 1.00 0.00 C ATOM 222 CZ2 TRP A 26 101.912 -4.942 0.678 1.00 0.00 C ATOM 223 CZ3 TRP A 26 100.047 -5.013 2.209 1.00 0.00 C ATOM 224 CH2 TRP A 26 101.411 -5.172 1.929 1.00 0.00 C ATOM 0 H TRP A 26 95.356 -2.667 -2.269 1.00 0.00 H new ATOM 0 HA TRP A 26 97.670 -1.647 -0.788 1.00 0.00 H new ATOM 0 HB2 TRP A 26 97.006 -4.046 -0.684 1.00 0.00 H new ATOM 0 HB3 TRP A 26 97.251 -4.178 -2.414 1.00 0.00 H new ATOM 0 HD1 TRP A 26 99.915 -3.609 -3.246 1.00 0.00 H new ATOM 0 HE1 TRP A 26 102.137 -4.274 -2.106 1.00 0.00 H new ATOM 0 HE3 TRP A 26 98.109 -4.494 1.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 102.963 -5.067 0.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 99.684 -5.204 3.208 1.00 0.00 H new ATOM 0 HH2 TRP A 26 102.080 -5.483 2.718 1.00 0.00 H new ATOM 235 N GLU A 27 97.248 -1.517 -4.003 1.00 0.00 N ATOM 236 CA GLU A 27 97.784 -0.998 -5.253 1.00 0.00 C ATOM 237 C GLU A 27 97.769 0.525 -5.248 1.00 0.00 C ATOM 238 O GLU A 27 98.542 1.166 -5.959 1.00 0.00 O ATOM 239 CB GLU A 27 96.979 -1.528 -6.441 1.00 0.00 C ATOM 240 CG GLU A 27 97.755 -1.528 -7.749 1.00 0.00 C ATOM 241 CD GLU A 27 96.853 -1.659 -8.961 1.00 0.00 C ATOM 242 OE1 GLU A 27 96.027 -0.750 -9.186 1.00 0.00 O ATOM 243 OE2 GLU A 27 96.974 -2.670 -9.684 1.00 0.00 O ATOM 0 H GLU A 27 96.266 -1.789 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 27 98.815 -1.337 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 27 96.651 -2.544 -6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 27 96.081 -0.922 -6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 27 98.330 -0.605 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 27 98.471 -2.350 -7.743 1.00 0.00 H new ATOM 250 N SER A 28 96.891 1.099 -4.432 1.00 0.00 N ATOM 251 CA SER A 28 96.783 2.547 -4.324 1.00 0.00 C ATOM 252 C SER A 28 97.916 3.094 -3.477 1.00 0.00 C ATOM 253 O SER A 28 98.585 4.056 -3.855 1.00 0.00 O ATOM 254 CB SER A 28 95.438 2.930 -3.713 1.00 0.00 C ATOM 255 OG SER A 28 95.072 4.253 -4.066 1.00 0.00 O ATOM 0 H SER A 28 96.244 0.582 -3.836 1.00 0.00 H new ATOM 0 HA SER A 28 96.851 2.979 -5.322 1.00 0.00 H new ATOM 0 HB2 SER A 28 94.670 2.235 -4.053 1.00 0.00 H new ATOM 0 HB3 SER A 28 95.490 2.842 -2.628 1.00 0.00 H new ATOM 0 HG SER A 28 94.206 4.471 -3.663 1.00 0.00 H new ATOM 261 N ALA A 29 98.135 2.463 -2.334 1.00 0.00 N ATOM 262 CA ALA A 29 99.204 2.872 -1.432 1.00 0.00 C ATOM 263 C ALA A 29 100.516 3.016 -2.197 1.00 0.00 C ATOM 264 O ALA A 29 101.383 3.806 -1.824 1.00 0.00 O ATOM 265 CB ALA A 29 99.354 1.870 -0.296 1.00 0.00 C ATOM 0 H ALA A 29 97.588 1.666 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 29 98.946 3.840 -1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 29 100.157 2.191 0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 29 98.421 1.812 0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 29 99.592 0.888 -0.706 1.00 0.00 H new ATOM 271 N LYS A 30 100.642 2.251 -3.278 1.00 0.00 N ATOM 272 CA LYS A 30 101.834 2.296 -4.112 1.00 0.00 C ATOM 273 C LYS A 30 101.710 3.394 -5.163 1.00 0.00 C ATOM 274 O LYS A 30 102.708 3.984 -5.576 1.00 0.00 O ATOM 275 CB LYS A 30 102.061 0.944 -4.792 1.00 0.00 C ATOM 276 CG LYS A 30 102.170 -0.217 -3.817 1.00 0.00 C ATOM 277 CD LYS A 30 102.670 -1.477 -4.504 1.00 0.00 C ATOM 278 CE LYS A 30 104.186 -1.573 -4.454 1.00 0.00 C ATOM 279 NZ LYS A 30 104.749 -2.135 -5.713 1.00 0.00 N ATOM 0 H LYS A 30 99.931 1.592 -3.595 1.00 0.00 H new ATOM 0 HA LYS A 30 102.690 2.517 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 30 101.240 0.752 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 30 102.973 0.995 -5.387 1.00 0.00 H new ATOM 0 HG2 LYS A 30 102.848 0.050 -3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 30 101.196 -0.409 -3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 30 102.233 -2.353 -4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 30 102.338 -1.483 -5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 30 104.607 -0.583 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 30 104.483 -2.199 -3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 105.785 -2.184 -5.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 104.367 -3.090 -5.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 104.488 -1.524 -6.513 1.00 0.00 H new ATOM 293 N THR A 31 100.478 3.673 -5.588 1.00 0.00 N ATOM 294 CA THR A 31 100.238 4.710 -6.584 1.00 0.00 C ATOM 295 C THR A 31 100.527 6.089 -6.002 1.00 0.00 C ATOM 296 O THR A 31 100.906 7.012 -6.723 1.00 0.00 O ATOM 297 CB THR A 31 98.796 4.646 -7.091 1.00 0.00 C ATOM 298 OG1 THR A 31 97.882 4.926 -6.045 1.00 0.00 O ATOM 299 CG2 THR A 31 98.426 3.300 -7.676 1.00 0.00 C ATOM 0 H THR A 31 99.638 3.198 -5.259 1.00 0.00 H new ATOM 0 HA THR A 31 100.911 4.537 -7.424 1.00 0.00 H new ATOM 0 HB THR A 31 98.735 5.396 -7.879 1.00 0.00 H new ATOM 0 HG1 THR A 31 98.331 4.819 -5.181 1.00 0.00 H new ATOM 0 HG21 THR A 31 97.391 3.323 -8.016 1.00 0.00 H new ATOM 0 HG22 THR A 31 99.080 3.077 -8.519 1.00 0.00 H new ATOM 0 HG23 THR A 31 98.540 2.528 -6.915 1.00 0.00 H new ATOM 307 N ALA A 32 100.352 6.221 -4.690 1.00 0.00 N ATOM 308 CA ALA A 32 100.601 7.485 -4.009 1.00 0.00 C ATOM 309 C ALA A 32 101.859 7.408 -3.151 1.00 0.00 C ATOM 310 O ALA A 32 102.029 8.184 -2.212 1.00 0.00 O ATOM 311 CB ALA A 32 99.401 7.872 -3.157 1.00 0.00 C ATOM 0 H ALA A 32 100.039 5.467 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 32 100.756 8.253 -4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 32 99.602 8.818 -2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 32 98.522 7.978 -3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 32 99.218 7.097 -2.412 1.00 0.00 H new ATOM 317 N ALA A 33 102.744 6.472 -3.484 1.00 0.00 N ATOM 318 CA ALA A 33 103.989 6.306 -2.747 1.00 0.00 C ATOM 319 C ALA A 33 105.141 6.971 -3.488 1.00 0.00 C ATOM 320 O ALA A 33 105.831 7.831 -2.940 1.00 0.00 O ATOM 321 CB ALA A 33 104.280 4.828 -2.524 1.00 0.00 C ATOM 0 H ALA A 33 102.621 5.819 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 33 103.882 6.788 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 33 105.214 4.720 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 33 103.467 4.379 -1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 33 104.368 4.325 -3.487 1.00 0.00 H new ATOM 327 N GLN A 34 105.337 6.576 -4.741 1.00 0.00 N ATOM 328 CA GLN A 34 106.399 7.144 -5.562 1.00 0.00 C ATOM 329 C GLN A 34 106.202 8.648 -5.733 1.00 0.00 C ATOM 330 O GLN A 34 107.144 9.377 -6.043 1.00 0.00 O ATOM 331 CB GLN A 34 106.436 6.460 -6.931 1.00 0.00 C ATOM 332 CG GLN A 34 107.517 5.397 -7.049 1.00 0.00 C ATOM 333 CD GLN A 34 107.437 4.359 -5.948 1.00 0.00 C ATOM 334 OE1 GLN A 34 106.392 3.747 -5.731 1.00 0.00 O ATOM 335 NE2 GLN A 34 108.546 4.155 -5.246 1.00 0.00 N ATOM 0 H GLN A 34 104.775 5.866 -5.210 1.00 0.00 H new ATOM 0 HA GLN A 34 107.350 6.974 -5.057 1.00 0.00 H new ATOM 0 HB2 GLN A 34 105.466 6.003 -7.127 1.00 0.00 H new ATOM 0 HB3 GLN A 34 106.594 7.215 -7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 34 107.431 4.902 -8.016 1.00 0.00 H new ATOM 0 HG3 GLN A 34 108.496 5.875 -7.022 1.00 0.00 H new ATOM 0 HE21 GLN A 34 109.390 4.685 -5.461 1.00 0.00 H new ATOM 0 HE22 GLN A 34 108.553 3.468 -4.492 1.00 0.00 H new ATOM 344 N ASN A 35 104.971 9.105 -5.523 1.00 0.00 N ATOM 345 CA ASN A 35 104.646 10.518 -5.645 1.00 0.00 C ATOM 346 C ASN A 35 105.250 11.307 -4.493 1.00 0.00 C ATOM 347 O ASN A 35 106.055 12.216 -4.699 1.00 0.00 O ATOM 348 CB ASN A 35 103.130 10.702 -5.659 1.00 0.00 C ATOM 349 CG ASN A 35 102.701 11.933 -6.433 1.00 0.00 C ATOM 350 OD1 ASN A 35 102.026 11.831 -7.458 1.00 0.00 O ATOM 351 ND2 ASN A 35 103.090 13.104 -5.945 1.00 0.00 N ATOM 0 H ASN A 35 104.181 8.513 -5.267 1.00 0.00 H new ATOM 0 HA ASN A 35 105.064 10.891 -6.580 1.00 0.00 H new ATOM 0 HB2 ASN A 35 102.664 9.820 -6.099 1.00 0.00 H new ATOM 0 HB3 ASN A 35 102.767 10.777 -4.634 1.00 0.00 H new ATOM 0 HD21 ASN A 35 102.830 13.967 -6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 35 103.649 13.141 -5.092 1.00 0.00 H new ATOM 358 N LEU A 36 104.854 10.950 -3.278 1.00 0.00 N ATOM 359 CA LEU A 36 105.355 11.623 -2.082 1.00 0.00 C ATOM 360 C LEU A 36 106.822 11.284 -1.848 1.00 0.00 C ATOM 361 O LEU A 36 107.600 12.125 -1.399 1.00 0.00 O ATOM 362 CB LEU A 36 104.530 11.229 -0.854 1.00 0.00 C ATOM 363 CG LEU A 36 103.043 10.986 -1.115 1.00 0.00 C ATOM 364 CD1 LEU A 36 102.320 10.658 0.181 1.00 0.00 C ATOM 365 CD2 LEU A 36 102.413 12.196 -1.789 1.00 0.00 C ATOM 0 H LEU A 36 104.188 10.200 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 36 105.262 12.698 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 36 104.959 10.324 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 36 104.627 12.015 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 36 102.947 10.132 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 36 101.263 10.488 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 36 102.753 9.760 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 36 102.425 11.490 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 36 101.355 12.004 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 36 102.520 13.068 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 36 102.912 12.384 -2.740 1.00 0.00 H new ATOM 377 N TYR A 37 107.193 10.046 -2.157 1.00 0.00 N ATOM 378 CA TYR A 37 108.570 9.594 -1.980 1.00 0.00 C ATOM 379 C TYR A 37 109.543 10.466 -2.768 1.00 0.00 C ATOM 380 O TYR A 37 110.734 10.519 -2.461 1.00 0.00 O ATOM 381 CB TYR A 37 108.714 8.134 -2.411 1.00 0.00 C ATOM 382 CG TYR A 37 108.420 7.143 -1.307 1.00 0.00 C ATOM 383 CD1 TYR A 37 107.342 7.328 -0.450 1.00 0.00 C ATOM 384 CD2 TYR A 37 109.220 6.023 -1.122 1.00 0.00 C ATOM 385 CE1 TYR A 37 107.070 6.425 0.560 1.00 0.00 C ATOM 386 CE2 TYR A 37 108.955 5.116 -0.114 1.00 0.00 C ATOM 387 CZ TYR A 37 107.880 5.321 0.724 1.00 0.00 C ATOM 388 OH TYR A 37 107.612 4.420 1.729 1.00 0.00 O ATOM 0 H TYR A 37 106.561 9.338 -2.531 1.00 0.00 H new ATOM 0 HA TYR A 37 108.813 9.679 -0.921 1.00 0.00 H new ATOM 0 HB2 TYR A 37 108.041 7.943 -3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 37 109.729 7.970 -2.774 1.00 0.00 H new ATOM 0 HD1 TYR A 37 106.706 8.192 -0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 37 110.063 5.858 -1.777 1.00 0.00 H new ATOM 0 HE1 TYR A 37 106.228 6.583 1.217 1.00 0.00 H new ATOM 0 HE2 TYR A 37 109.587 4.250 0.017 1.00 0.00 H new ATOM 0 HH TYR A 37 108.276 3.699 1.708 1.00 0.00 H new ATOM 398 N GLU A 38 109.028 11.148 -3.782 1.00 0.00 N ATOM 399 CA GLU A 38 109.850 12.020 -4.614 1.00 0.00 C ATOM 400 C GLU A 38 110.330 13.229 -3.819 1.00 0.00 C ATOM 401 O GLU A 38 111.427 13.739 -4.049 1.00 0.00 O ATOM 402 CB GLU A 38 109.062 12.482 -5.842 1.00 0.00 C ATOM 403 CG GLU A 38 108.973 11.433 -6.937 1.00 0.00 C ATOM 404 CD GLU A 38 107.665 11.499 -7.702 1.00 0.00 C ATOM 405 OE1 GLU A 38 107.030 12.575 -7.698 1.00 0.00 O ATOM 406 OE2 GLU A 38 107.278 10.477 -8.306 1.00 0.00 O ATOM 0 H GLU A 38 108.044 11.115 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 38 110.721 11.453 -4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.054 12.759 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 38 109.530 13.379 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 38 109.803 11.566 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 38 109.082 10.442 -6.496 1.00 0.00 H new ATOM 413 N LYS A 39 109.503 13.683 -2.883 1.00 0.00 N ATOM 414 CA LYS A 39 109.845 14.833 -2.053 1.00 0.00 C ATOM 415 C LYS A 39 110.498 14.394 -0.743 1.00 0.00 C ATOM 416 O LYS A 39 110.609 15.180 0.197 1.00 0.00 O ATOM 417 CB LYS A 39 108.595 15.664 -1.758 1.00 0.00 C ATOM 418 CG LYS A 39 108.891 17.129 -1.482 1.00 0.00 C ATOM 419 CD LYS A 39 107.659 17.995 -1.692 1.00 0.00 C ATOM 420 CE LYS A 39 107.571 19.099 -0.651 1.00 0.00 C ATOM 421 NZ LYS A 39 108.145 20.380 -1.149 1.00 0.00 N ATOM 0 H LYS A 39 108.592 13.273 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 39 110.560 15.443 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 39 107.913 15.593 -2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 39 108.080 15.237 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 39 109.247 17.243 -0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 39 109.692 17.469 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 39 107.688 18.435 -2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 39 106.764 17.375 -1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 39 106.529 19.253 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 39 108.100 18.791 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 108.066 21.107 -0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 109.147 20.241 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 107.624 20.688 -1.995 1.00 0.00 H new ATOM 435 N THR A 40 110.932 13.136 -0.687 1.00 0.00 N ATOM 436 CA THR A 40 111.575 12.600 0.510 1.00 0.00 C ATOM 437 C THR A 40 110.709 12.820 1.746 1.00 0.00 C ATOM 438 O THR A 40 111.213 13.161 2.817 1.00 0.00 O ATOM 439 CB THR A 40 112.945 13.250 0.710 1.00 0.00 C ATOM 440 OG1 THR A 40 113.458 13.730 -0.521 1.00 0.00 O ATOM 441 CG2 THR A 40 113.974 12.309 1.299 1.00 0.00 C ATOM 0 H THR A 40 110.850 12.470 -1.455 1.00 0.00 H new ATOM 0 HA THR A 40 111.704 11.527 0.370 1.00 0.00 H new ATOM 0 HB THR A 40 112.777 14.066 1.413 1.00 0.00 H new ATOM 0 HG1 THR A 40 114.334 14.144 -0.371 1.00 0.00 H new ATOM 0 HG21 THR A 40 114.923 12.833 1.415 1.00 0.00 H new ATOM 0 HG22 THR A 40 113.632 11.959 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 40 114.110 11.456 0.634 1.00 0.00 H new ATOM 449 N TYR A 41 109.401 12.616 1.593 1.00 0.00 N ATOM 450 CA TYR A 41 108.455 12.783 2.691 1.00 0.00 C ATOM 451 C TYR A 41 108.762 14.039 3.504 1.00 0.00 C ATOM 452 O TYR A 41 108.544 14.086 4.714 1.00 0.00 O ATOM 453 CB TYR A 41 108.494 11.547 3.580 1.00 0.00 C ATOM 454 CG TYR A 41 107.547 11.593 4.761 1.00 0.00 C ATOM 455 CD1 TYR A 41 106.392 12.365 4.726 1.00 0.00 C ATOM 456 CD2 TYR A 41 107.810 10.860 5.913 1.00 0.00 C ATOM 457 CE1 TYR A 41 105.527 12.406 5.803 1.00 0.00 C ATOM 458 CE2 TYR A 41 106.949 10.896 6.993 1.00 0.00 C ATOM 459 CZ TYR A 41 105.809 11.670 6.933 1.00 0.00 C ATOM 460 OH TYR A 41 104.950 11.707 8.008 1.00 0.00 O ATOM 0 H TYR A 41 108.972 12.333 0.712 1.00 0.00 H new ATOM 0 HA TYR A 41 107.454 12.902 2.275 1.00 0.00 H new ATOM 0 HB2 TYR A 41 108.258 10.672 2.975 1.00 0.00 H new ATOM 0 HB3 TYR A 41 109.510 11.413 3.950 1.00 0.00 H new ATOM 0 HD1 TYR A 41 106.166 12.943 3.842 1.00 0.00 H new ATOM 0 HD2 TYR A 41 108.702 10.253 5.964 1.00 0.00 H new ATOM 0 HE1 TYR A 41 104.634 13.012 5.759 1.00 0.00 H new ATOM 0 HE2 TYR A 41 107.168 10.321 7.880 1.00 0.00 H new ATOM 0 HH TYR A 41 104.493 10.844 8.092 1.00 0.00 H new ATOM 470 N LEU A 42 109.271 15.055 2.817 1.00 0.00 N ATOM 471 CA LEU A 42 109.622 16.328 3.445 1.00 0.00 C ATOM 472 C LEU A 42 108.547 16.800 4.429 1.00 0.00 C ATOM 473 O LEU A 42 108.858 17.173 5.561 1.00 0.00 O ATOM 474 CB LEU A 42 109.849 17.397 2.373 1.00 0.00 C ATOM 475 CG LEU A 42 111.139 18.203 2.525 1.00 0.00 C ATOM 476 CD1 LEU A 42 112.338 17.380 2.080 1.00 0.00 C ATOM 477 CD2 LEU A 42 111.055 19.499 1.732 1.00 0.00 C ATOM 0 H LEU A 42 109.452 15.023 1.814 1.00 0.00 H new ATOM 0 HA LEU A 42 110.541 16.171 4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 42 109.853 16.914 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 42 109.005 18.086 2.384 1.00 0.00 H new ATOM 0 HG LEU A 42 111.267 18.453 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 42 113.247 17.970 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 42 112.409 16.481 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 42 112.218 17.099 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 42 111.982 20.060 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 42 110.903 19.271 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 42 110.220 20.096 2.098 1.00 0.00 H new ATOM 489 N PRO A 43 107.268 16.806 4.007 1.00 0.00 N ATOM 490 CA PRO A 43 106.152 17.249 4.849 1.00 0.00 C ATOM 491 C PRO A 43 106.271 16.822 6.314 1.00 0.00 C ATOM 492 O PRO A 43 105.754 17.500 7.201 1.00 0.00 O ATOM 493 CB PRO A 43 104.954 16.579 4.187 1.00 0.00 C ATOM 494 CG PRO A 43 105.302 16.564 2.739 1.00 0.00 C ATOM 495 CD PRO A 43 106.799 16.396 2.665 1.00 0.00 C ATOM 0 HA PRO A 43 106.096 18.336 4.904 1.00 0.00 H new ATOM 0 HB2 PRO A 43 104.799 15.571 4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 43 104.034 17.135 4.370 1.00 0.00 H new ATOM 0 HG2 PRO A 43 104.793 15.748 2.225 1.00 0.00 H new ATOM 0 HG3 PRO A 43 104.990 17.489 2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 43 107.075 15.365 2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 43 107.233 17.018 1.882 1.00 0.00 H new ATOM 503 N ALA A 44 106.943 15.700 6.571 1.00 0.00 N ATOM 504 CA ALA A 44 107.096 15.222 7.943 1.00 0.00 C ATOM 505 C ALA A 44 108.205 14.184 8.075 1.00 0.00 C ATOM 506 O ALA A 44 108.187 13.366 8.993 1.00 0.00 O ATOM 507 CB ALA A 44 105.780 14.650 8.448 1.00 0.00 C ATOM 0 H ALA A 44 107.383 15.115 5.861 1.00 0.00 H new ATOM 0 HA ALA A 44 107.381 16.079 8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 44 105.906 14.297 9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 44 105.013 15.424 8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 44 105.477 13.818 7.812 1.00 0.00 H new ATOM 513 N VAL A 45 109.180 14.226 7.175 1.00 0.00 N ATOM 514 CA VAL A 45 110.293 13.287 7.233 1.00 0.00 C ATOM 515 C VAL A 45 111.258 13.690 8.336 1.00 0.00 C ATOM 516 O VAL A 45 111.821 12.842 9.028 1.00 0.00 O ATOM 517 CB VAL A 45 111.051 13.205 5.896 1.00 0.00 C ATOM 518 CG1 VAL A 45 111.598 14.570 5.501 1.00 0.00 C ATOM 519 CG2 VAL A 45 112.172 12.177 5.971 1.00 0.00 C ATOM 0 H VAL A 45 109.223 14.893 6.404 1.00 0.00 H new ATOM 0 HA VAL A 45 109.875 12.303 7.443 1.00 0.00 H new ATOM 0 HB VAL A 45 110.348 12.884 5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 45 112.130 14.488 4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 45 110.774 15.275 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 45 112.282 14.925 6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 45 112.693 12.137 5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 45 112.874 12.461 6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 45 111.752 11.197 6.197 1.00 0.00 H new ATOM 529 N ASP A 46 111.428 14.996 8.504 1.00 0.00 N ATOM 530 CA ASP A 46 112.308 15.523 9.535 1.00 0.00 C ATOM 531 C ASP A 46 111.687 15.326 10.914 1.00 0.00 C ATOM 532 O ASP A 46 112.383 15.372 11.929 1.00 0.00 O ATOM 533 CB ASP A 46 112.584 17.008 9.291 1.00 0.00 C ATOM 534 CG ASP A 46 113.705 17.232 8.293 1.00 0.00 C ATOM 535 OD1 ASP A 46 113.625 16.675 7.178 1.00 0.00 O ATOM 536 OD2 ASP A 46 114.660 17.962 8.628 1.00 0.00 O ATOM 0 H ASP A 46 110.967 15.708 7.938 1.00 0.00 H new ATOM 0 HA ASP A 46 113.252 14.979 9.494 1.00 0.00 H new ATOM 0 HB2 ASP A 46 111.676 17.488 8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 46 112.841 17.487 10.236 1.00 0.00 H new ATOM 541 N GLU A 47 110.374 15.106 10.945 1.00 0.00 N ATOM 542 CA GLU A 47 109.665 14.901 12.202 1.00 0.00 C ATOM 543 C GLU A 47 109.022 13.516 12.257 1.00 0.00 C ATOM 544 O GLU A 47 108.143 13.267 13.082 1.00 0.00 O ATOM 545 CB GLU A 47 108.595 15.978 12.387 1.00 0.00 C ATOM 546 CG GLU A 47 109.159 17.386 12.486 1.00 0.00 C ATOM 547 CD GLU A 47 109.262 17.874 13.919 1.00 0.00 C ATOM 548 OE1 GLU A 47 108.462 17.416 14.760 1.00 0.00 O ATOM 549 OE2 GLU A 47 110.142 18.714 14.197 1.00 0.00 O ATOM 0 H GLU A 47 109.783 15.066 10.115 1.00 0.00 H new ATOM 0 HA GLU A 47 110.392 14.972 13.011 1.00 0.00 H new ATOM 0 HB2 GLU A 47 107.898 15.933 11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 47 108.024 15.760 13.290 1.00 0.00 H new ATOM 0 HG2 GLU A 47 110.147 17.411 12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 47 108.526 18.068 11.919 1.00 0.00 H new ATOM 556 N LYS A 48 109.464 12.614 11.382 1.00 0.00 N ATOM 557 CA LYS A 48 108.921 11.260 11.353 1.00 0.00 C ATOM 558 C LYS A 48 109.916 10.273 10.758 1.00 0.00 C ATOM 559 O LYS A 48 110.244 9.264 11.382 1.00 0.00 O ATOM 560 CB LYS A 48 107.608 11.224 10.569 1.00 0.00 C ATOM 561 CG LYS A 48 106.745 10.012 10.882 1.00 0.00 C ATOM 562 CD LYS A 48 105.274 10.383 10.977 1.00 0.00 C ATOM 563 CE LYS A 48 104.384 9.152 10.937 1.00 0.00 C ATOM 564 NZ LYS A 48 103.905 8.768 12.294 1.00 0.00 N ATOM 0 H LYS A 48 110.191 12.795 10.690 1.00 0.00 H new ATOM 0 HA LYS A 48 108.726 10.961 12.383 1.00 0.00 H new ATOM 0 HB2 LYS A 48 107.041 12.129 10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 48 107.831 11.235 9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 48 106.881 9.257 10.107 1.00 0.00 H new ATOM 0 HG3 LYS A 48 107.070 9.566 11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 48 105.095 10.932 11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 48 105.012 11.049 10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 48 103.528 9.344 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 48 104.935 8.320 10.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 103.160 8.047 12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 104.698 8.383 12.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 103.522 9.606 12.777 1.00 0.00 H new ATOM 578 N LEU A 49 110.411 10.568 9.559 1.00 0.00 N ATOM 579 CA LEU A 49 111.383 9.693 8.914 1.00 0.00 C ATOM 580 C LEU A 49 112.794 10.095 9.330 1.00 0.00 C ATOM 581 O LEU A 49 113.713 10.140 8.512 1.00 0.00 O ATOM 582 CB LEU A 49 111.233 9.747 7.390 1.00 0.00 C ATOM 583 CG LEU A 49 110.599 8.505 6.761 1.00 0.00 C ATOM 584 CD1 LEU A 49 109.227 8.243 7.362 1.00 0.00 C ATOM 585 CD2 LEU A 49 110.500 8.665 5.252 1.00 0.00 C ATOM 0 H LEU A 49 110.158 11.396 9.020 1.00 0.00 H new ATOM 0 HA LEU A 49 111.199 8.667 9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 49 110.630 10.617 7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 49 112.218 9.898 6.948 1.00 0.00 H new ATOM 0 HG LEU A 49 111.236 7.647 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 49 108.792 7.356 6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 49 109.324 8.084 8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 49 108.580 9.101 7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 49 110.047 7.773 4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 49 109.885 9.534 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 49 111.497 8.803 4.835 1.00 0.00 H new ATOM 597 N ARG A 50 112.947 10.389 10.616 1.00 0.00 N ATOM 598 CA ARG A 50 114.230 10.795 11.172 1.00 0.00 C ATOM 599 C ARG A 50 114.116 11.072 12.672 1.00 0.00 C ATOM 600 O ARG A 50 115.102 10.972 13.402 1.00 0.00 O ATOM 601 CB ARG A 50 114.753 12.039 10.447 1.00 0.00 C ATOM 602 CG ARG A 50 116.064 11.807 9.710 1.00 0.00 C ATOM 603 CD ARG A 50 115.978 12.255 8.260 1.00 0.00 C ATOM 604 NE ARG A 50 117.290 12.582 7.709 1.00 0.00 N ATOM 605 CZ ARG A 50 117.472 13.212 6.551 1.00 0.00 C ATOM 606 NH1 ARG A 50 116.429 13.584 5.818 1.00 0.00 N ATOM 607 NH2 ARG A 50 118.700 13.472 6.122 1.00 0.00 N ATOM 0 H ARG A 50 112.190 10.353 11.298 1.00 0.00 H new ATOM 0 HA ARG A 50 114.934 9.976 11.028 1.00 0.00 H new ATOM 0 HB2 ARG A 50 114.000 12.378 9.735 1.00 0.00 H new ATOM 0 HB3 ARG A 50 114.890 12.841 11.172 1.00 0.00 H new ATOM 0 HG2 ARG A 50 116.865 12.349 10.212 1.00 0.00 H new ATOM 0 HG3 ARG A 50 116.322 10.749 9.750 1.00 0.00 H new ATOM 0 HD2 ARG A 50 115.521 11.466 7.663 1.00 0.00 H new ATOM 0 HD3 ARG A 50 115.327 13.126 8.188 1.00 0.00 H new ATOM 0 HE ARG A 50 118.116 12.312 8.243 1.00 0.00 H new ATOM 0 HH11 ARG A 50 115.482 13.387 6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 50 116.575 14.067 4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 50 119.506 13.189 6.680 1.00 0.00 H new ATOM 0 HH22 ARG A 50 118.839 13.955 5.234 1.00 0.00 H new ATOM 621 N ASP A 51 112.912 11.423 13.133 1.00 0.00 N ATOM 622 CA ASP A 51 112.697 11.712 14.547 1.00 0.00 C ATOM 623 C ASP A 51 111.786 10.671 15.188 1.00 0.00 C ATOM 624 O ASP A 51 111.954 10.325 16.358 1.00 0.00 O ATOM 625 CB ASP A 51 112.096 13.108 14.718 1.00 0.00 C ATOM 626 CG ASP A 51 112.193 13.608 16.147 1.00 0.00 C ATOM 627 OD1 ASP A 51 111.333 13.228 16.968 1.00 0.00 O ATOM 628 OD2 ASP A 51 113.129 14.380 16.443 1.00 0.00 O ATOM 0 H ASP A 51 112.080 11.512 12.550 1.00 0.00 H new ATOM 0 HA ASP A 51 113.664 11.675 15.048 1.00 0.00 H new ATOM 0 HB2 ASP A 51 112.610 13.805 14.056 1.00 0.00 H new ATOM 0 HB3 ASP A 51 111.050 13.090 14.412 1.00 0.00 H new ATOM 633 N LEU A 52 110.826 10.170 14.418 1.00 0.00 N ATOM 634 CA LEU A 52 109.896 9.164 14.919 1.00 0.00 C ATOM 635 C LEU A 52 110.417 7.753 14.655 1.00 0.00 C ATOM 636 O LEU A 52 109.669 6.779 14.743 1.00 0.00 O ATOM 637 CB LEU A 52 108.520 9.345 14.274 1.00 0.00 C ATOM 638 CG LEU A 52 107.364 8.665 15.012 1.00 0.00 C ATOM 639 CD1 LEU A 52 106.148 9.579 15.057 1.00 0.00 C ATOM 640 CD2 LEU A 52 107.013 7.340 14.351 1.00 0.00 C ATOM 0 H LEU A 52 110.672 10.443 13.447 1.00 0.00 H new ATOM 0 HA LEU A 52 109.805 9.297 15.997 1.00 0.00 H new ATOM 0 HB2 LEU A 52 108.307 10.412 14.201 1.00 0.00 H new ATOM 0 HB3 LEU A 52 108.559 8.958 13.256 1.00 0.00 H new ATOM 0 HG LEU A 52 107.681 8.464 16.035 1.00 0.00 H new ATOM 0 HD11 LEU A 52 105.336 9.079 15.585 1.00 0.00 H new ATOM 0 HD12 LEU A 52 106.405 10.502 15.577 1.00 0.00 H new ATOM 0 HD13 LEU A 52 105.830 9.812 14.041 1.00 0.00 H new ATOM 0 HD21 LEU A 52 106.189 6.872 14.890 1.00 0.00 H new ATOM 0 HD22 LEU A 52 106.717 7.516 13.317 1.00 0.00 H new ATOM 0 HD23 LEU A 52 107.881 6.682 14.372 1.00 0.00 H new ATOM 652 N TYR A 53 111.704 7.649 14.333 1.00 0.00 N ATOM 653 CA TYR A 53 112.324 6.361 14.059 1.00 0.00 C ATOM 654 C TYR A 53 113.626 6.217 14.839 1.00 0.00 C ATOM 655 O TYR A 53 113.883 5.184 15.458 1.00 0.00 O ATOM 656 CB TYR A 53 112.591 6.217 12.561 1.00 0.00 C ATOM 657 CG TYR A 53 112.117 4.903 11.983 1.00 0.00 C ATOM 658 CD1 TYR A 53 110.823 4.449 12.210 1.00 0.00 C ATOM 659 CD2 TYR A 53 112.962 4.115 11.212 1.00 0.00 C ATOM 660 CE1 TYR A 53 110.385 3.249 11.684 1.00 0.00 C ATOM 661 CE2 TYR A 53 112.531 2.914 10.682 1.00 0.00 C ATOM 662 CZ TYR A 53 111.242 2.485 10.920 1.00 0.00 C ATOM 663 OH TYR A 53 110.810 1.290 10.395 1.00 0.00 O ATOM 0 H TYR A 53 112.337 8.445 14.256 1.00 0.00 H new ATOM 0 HA TYR A 53 111.642 5.573 14.376 1.00 0.00 H new ATOM 0 HB2 TYR A 53 112.100 7.034 12.033 1.00 0.00 H new ATOM 0 HB3 TYR A 53 113.661 6.318 12.380 1.00 0.00 H new ATOM 0 HD1 TYR A 53 110.149 5.044 12.808 1.00 0.00 H new ATOM 0 HD2 TYR A 53 113.972 4.447 11.024 1.00 0.00 H new ATOM 0 HE1 TYR A 53 109.376 2.911 11.870 1.00 0.00 H new ATOM 0 HE2 TYR A 53 113.201 2.314 10.084 1.00 0.00 H new ATOM 0 HH TYR A 53 111.433 0.994 9.699 1.00 0.00 H new ATOM 673 N SER A 54 114.441 7.266 14.805 1.00 0.00 N ATOM 674 CA SER A 54 115.720 7.270 15.509 1.00 0.00 C ATOM 675 C SER A 54 116.593 6.101 15.068 1.00 0.00 C ATOM 676 O SER A 54 117.146 5.376 15.896 1.00 0.00 O ATOM 677 CB SER A 54 115.495 7.216 17.021 1.00 0.00 C ATOM 678 OG SER A 54 115.352 8.518 17.563 1.00 0.00 O ATOM 0 H SER A 54 114.239 8.127 14.296 1.00 0.00 H new ATOM 0 HA SER A 54 116.238 8.196 15.259 1.00 0.00 H new ATOM 0 HB2 SER A 54 114.603 6.628 17.238 1.00 0.00 H new ATOM 0 HB3 SER A 54 116.334 6.710 17.499 1.00 0.00 H new ATOM 0 HG SER A 54 115.208 8.456 18.530 1.00 0.00 H new ATOM 684 N LYS A 55 116.709 5.920 13.757 1.00 0.00 N ATOM 685 CA LYS A 55 117.512 4.835 13.205 1.00 0.00 C ATOM 686 C LYS A 55 117.069 3.487 13.768 1.00 0.00 C ATOM 687 O LYS A 55 117.824 2.516 13.743 1.00 0.00 O ATOM 688 CB LYS A 55 118.994 5.065 13.506 1.00 0.00 C ATOM 689 CG LYS A 55 119.919 4.626 12.382 1.00 0.00 C ATOM 690 CD LYS A 55 121.101 5.570 12.233 1.00 0.00 C ATOM 691 CE LYS A 55 120.738 6.789 11.399 1.00 0.00 C ATOM 692 NZ LYS A 55 121.882 7.734 11.271 1.00 0.00 N ATOM 0 H LYS A 55 116.258 6.510 13.058 1.00 0.00 H new ATOM 0 HA LYS A 55 117.366 4.822 12.125 1.00 0.00 H new ATOM 0 HB2 LYS A 55 119.155 6.124 13.705 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.259 4.526 14.415 1.00 0.00 H new ATOM 0 HG2 LYS A 55 120.281 3.617 12.580 1.00 0.00 H new ATOM 0 HG3 LYS A 55 119.363 4.587 11.446 1.00 0.00 H new ATOM 0 HD2 LYS A 55 121.439 5.890 13.219 1.00 0.00 H new ATOM 0 HD3 LYS A 55 121.933 5.043 11.766 1.00 0.00 H new ATOM 0 HE2 LYS A 55 120.419 6.469 10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 55 119.892 7.303 11.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 121.594 8.551 10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 122.171 8.060 12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 122.681 7.252 10.812 1.00 0.00 H new ATOM 706 N SER A 56 115.838 3.434 14.275 1.00 0.00 N ATOM 707 CA SER A 56 115.300 2.201 14.841 1.00 0.00 C ATOM 708 C SER A 56 115.414 1.060 13.837 1.00 0.00 C ATOM 709 O SER A 56 115.883 -0.030 14.165 1.00 0.00 O ATOM 710 CB SER A 56 113.838 2.395 15.248 1.00 0.00 C ATOM 711 OG SER A 56 113.226 1.156 15.562 1.00 0.00 O ATOM 0 H SER A 56 115.198 4.228 14.305 1.00 0.00 H new ATOM 0 HA SER A 56 115.882 1.948 15.727 1.00 0.00 H new ATOM 0 HB2 SER A 56 113.783 3.060 16.110 1.00 0.00 H new ATOM 0 HB3 SER A 56 113.293 2.878 14.437 1.00 0.00 H new ATOM 0 HG SER A 56 112.293 1.308 15.820 1.00 0.00 H new ATOM 717 N THR A 57 114.987 1.327 12.609 1.00 0.00 N ATOM 718 CA THR A 57 115.047 0.335 11.545 1.00 0.00 C ATOM 719 C THR A 57 115.312 0.998 10.198 1.00 0.00 C ATOM 720 O THR A 57 115.031 0.424 9.146 1.00 0.00 O ATOM 721 CB THR A 57 113.745 -0.459 11.486 1.00 0.00 C ATOM 722 OG1 THR A 57 113.285 -0.769 12.790 1.00 0.00 O ATOM 723 CG2 THR A 57 113.870 -1.759 10.720 1.00 0.00 C ATOM 0 H THR A 57 114.595 2.225 12.326 1.00 0.00 H new ATOM 0 HA THR A 57 115.870 -0.346 11.764 1.00 0.00 H new ATOM 0 HB THR A 57 113.039 0.185 10.962 1.00 0.00 H new ATOM 0 HG1 THR A 57 112.449 -1.277 12.730 1.00 0.00 H new ATOM 0 HG21 THR A 57 112.909 -2.273 10.717 1.00 0.00 H new ATOM 0 HG22 THR A 57 114.173 -1.549 9.694 1.00 0.00 H new ATOM 0 HG23 THR A 57 114.618 -2.392 11.197 1.00 0.00 H new ATOM 731 N ALA A 58 115.865 2.204 10.239 1.00 0.00 N ATOM 732 CA ALA A 58 116.180 2.937 9.021 1.00 0.00 C ATOM 733 C ALA A 58 117.434 2.367 8.379 1.00 0.00 C ATOM 734 O ALA A 58 117.469 2.107 7.176 1.00 0.00 O ATOM 735 CB ALA A 58 116.358 4.418 9.321 1.00 0.00 C ATOM 0 H ALA A 58 116.104 2.694 11.101 1.00 0.00 H new ATOM 0 HA ALA A 58 115.350 2.829 8.322 1.00 0.00 H new ATOM 0 HB1 ALA A 58 116.593 4.950 8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 58 115.437 4.817 9.745 1.00 0.00 H new ATOM 0 HB3 ALA A 58 117.172 4.550 10.034 1.00 0.00 H new ATOM 741 N ALA A 59 118.457 2.158 9.197 1.00 0.00 N ATOM 742 CA ALA A 59 119.712 1.599 8.719 1.00 0.00 C ATOM 743 C ALA A 59 119.548 0.120 8.382 1.00 0.00 C ATOM 744 O ALA A 59 120.303 -0.430 7.581 1.00 0.00 O ATOM 745 CB ALA A 59 120.808 1.790 9.757 1.00 0.00 C ATOM 0 H ALA A 59 118.441 2.368 10.195 1.00 0.00 H new ATOM 0 HA ALA A 59 120.000 2.128 7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 59 121.740 1.366 9.384 1.00 0.00 H new ATOM 0 HB2 ALA A 59 120.945 2.854 9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 59 120.525 1.287 10.682 1.00 0.00 H new ATOM 751 N MET A 60 118.549 -0.518 8.992 1.00 0.00 N ATOM 752 CA MET A 60 118.286 -1.929 8.748 1.00 0.00 C ATOM 753 C MET A 60 117.572 -2.118 7.413 1.00 0.00 C ATOM 754 O MET A 60 117.705 -3.159 6.769 1.00 0.00 O ATOM 755 CB MET A 60 117.443 -2.518 9.881 1.00 0.00 C ATOM 756 CG MET A 60 118.270 -3.146 10.991 1.00 0.00 C ATOM 757 SD MET A 60 118.490 -2.046 12.402 1.00 0.00 S ATOM 758 CE MET A 60 119.203 -3.170 13.600 1.00 0.00 C ATOM 0 H MET A 60 117.912 -0.078 9.656 1.00 0.00 H new ATOM 0 HA MET A 60 119.241 -2.453 8.710 1.00 0.00 H new ATOM 0 HB2 MET A 60 116.819 -1.731 10.305 1.00 0.00 H new ATOM 0 HB3 MET A 60 116.771 -3.271 9.469 1.00 0.00 H new ATOM 0 HG2 MET A 60 117.786 -4.065 11.324 1.00 0.00 H new ATOM 0 HG3 MET A 60 119.247 -3.425 10.597 1.00 0.00 H new ATOM 0 HE1 MET A 60 119.397 -2.636 14.530 1.00 0.00 H new ATOM 0 HE2 MET A 60 118.508 -3.988 13.790 1.00 0.00 H new ATOM 0 HE3 MET A 60 120.139 -3.571 13.211 1.00 0.00 H new ATOM 768 N SER A 61 116.816 -1.103 7.003 1.00 0.00 N ATOM 769 CA SER A 61 116.084 -1.155 5.745 1.00 0.00 C ATOM 770 C SER A 61 116.991 -0.793 4.575 1.00 0.00 C ATOM 771 O SER A 61 117.359 -1.650 3.774 1.00 0.00 O ATOM 772 CB SER A 61 114.885 -0.205 5.789 1.00 0.00 C ATOM 773 OG SER A 61 115.144 0.903 6.633 1.00 0.00 O ATOM 0 H SER A 61 116.696 -0.235 7.525 1.00 0.00 H new ATOM 0 HA SER A 61 115.726 -2.175 5.603 1.00 0.00 H new ATOM 0 HB2 SER A 61 114.658 0.146 4.782 1.00 0.00 H new ATOM 0 HB3 SER A 61 114.005 -0.741 6.146 1.00 0.00 H new ATOM 0 HG SER A 61 114.736 0.748 7.510 1.00 0.00 H new ATOM 779 N THR A 62 117.346 0.486 4.486 1.00 0.00 N ATOM 780 CA THR A 62 118.207 0.972 3.424 1.00 0.00 C ATOM 781 C THR A 62 117.595 0.719 2.056 1.00 0.00 C ATOM 782 O THR A 62 118.245 0.928 1.035 1.00 0.00 O ATOM 783 CB THR A 62 119.534 0.267 3.506 1.00 0.00 C ATOM 784 OG1 THR A 62 120.115 0.419 4.789 1.00 0.00 O ATOM 785 CG2 THR A 62 120.543 0.727 2.476 1.00 0.00 C ATOM 0 H THR A 62 117.046 1.205 5.144 1.00 0.00 H new ATOM 0 HA THR A 62 118.334 2.047 3.550 1.00 0.00 H new ATOM 0 HB THR A 62 119.302 -0.779 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 62 119.714 -0.227 5.408 1.00 0.00 H new ATOM 0 HG21 THR A 62 121.472 0.171 2.603 1.00 0.00 H new ATOM 0 HG22 THR A 62 120.148 0.551 1.476 1.00 0.00 H new ATOM 0 HG23 THR A 62 120.737 1.792 2.607 1.00 0.00 H new ATOM 793 N TYR A 63 116.345 0.261 2.034 1.00 0.00 N ATOM 794 CA TYR A 63 115.654 -0.022 0.784 1.00 0.00 C ATOM 795 C TYR A 63 115.917 1.075 -0.238 1.00 0.00 C ATOM 796 O TYR A 63 115.924 0.825 -1.443 1.00 0.00 O ATOM 797 CB TYR A 63 114.156 -0.156 1.023 1.00 0.00 C ATOM 798 CG TYR A 63 113.698 -1.581 1.241 1.00 0.00 C ATOM 799 CD1 TYR A 63 113.818 -2.187 2.485 1.00 0.00 C ATOM 800 CD2 TYR A 63 113.146 -2.320 0.202 1.00 0.00 C ATOM 801 CE1 TYR A 63 113.401 -3.489 2.688 1.00 0.00 C ATOM 802 CE2 TYR A 63 112.727 -3.622 0.396 1.00 0.00 C ATOM 803 CZ TYR A 63 112.856 -4.201 1.641 1.00 0.00 C ATOM 804 OH TYR A 63 112.440 -5.498 1.839 1.00 0.00 O ATOM 0 H TYR A 63 115.791 0.079 2.871 1.00 0.00 H new ATOM 0 HA TYR A 63 116.037 -0.964 0.392 1.00 0.00 H new ATOM 0 HB2 TYR A 63 113.881 0.441 1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 63 113.622 0.261 0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 63 114.244 -1.632 3.307 1.00 0.00 H new ATOM 0 HD2 TYR A 63 113.043 -1.869 -0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 63 113.502 -3.946 3.661 1.00 0.00 H new ATOM 0 HE2 TYR A 63 112.301 -4.183 -0.423 1.00 0.00 H new ATOM 0 HH TYR A 63 112.079 -5.857 1.002 1.00 0.00 H new ATOM 814 N THR A 64 116.157 2.287 0.250 1.00 0.00 N ATOM 815 CA THR A 64 116.449 3.411 -0.625 1.00 0.00 C ATOM 816 C THR A 64 117.561 3.042 -1.604 1.00 0.00 C ATOM 817 O THR A 64 117.640 3.588 -2.703 1.00 0.00 O ATOM 818 CB THR A 64 116.858 4.636 0.196 1.00 0.00 C ATOM 819 OG1 THR A 64 116.052 4.754 1.355 1.00 0.00 O ATOM 820 CG2 THR A 64 116.751 5.935 -0.573 1.00 0.00 C ATOM 0 H THR A 64 116.155 2.514 1.244 1.00 0.00 H new ATOM 0 HA THR A 64 115.548 3.654 -1.188 1.00 0.00 H new ATOM 0 HB THR A 64 117.904 4.473 0.457 1.00 0.00 H new ATOM 0 HG1 THR A 64 116.330 5.542 1.868 1.00 0.00 H new ATOM 0 HG21 THR A 64 117.056 6.763 0.067 1.00 0.00 H new ATOM 0 HG22 THR A 64 117.400 5.895 -1.448 1.00 0.00 H new ATOM 0 HG23 THR A 64 115.720 6.084 -0.893 1.00 0.00 H new ATOM 828 N GLY A 65 118.415 2.102 -1.195 1.00 0.00 N ATOM 829 CA GLY A 65 119.503 1.669 -2.050 1.00 0.00 C ATOM 830 C GLY A 65 119.277 0.286 -2.636 1.00 0.00 C ATOM 831 O GLY A 65 120.075 -0.185 -3.448 1.00 0.00 O ATOM 0 H GLY A 65 118.370 1.636 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 65 119.629 2.386 -2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 65 120.431 1.669 -1.478 1.00 0.00 H new ATOM 835 N ILE A 66 118.192 -0.374 -2.227 1.00 0.00 N ATOM 836 CA ILE A 66 117.881 -1.708 -2.723 1.00 0.00 C ATOM 837 C ILE A 66 116.626 -1.704 -3.592 1.00 0.00 C ATOM 838 O ILE A 66 116.338 -2.685 -4.276 1.00 0.00 O ATOM 839 CB ILE A 66 117.676 -2.701 -1.566 1.00 0.00 C ATOM 840 CG1 ILE A 66 118.756 -2.515 -0.499 1.00 0.00 C ATOM 841 CG2 ILE A 66 117.675 -4.132 -2.086 1.00 0.00 C ATOM 842 CD1 ILE A 66 118.514 -3.327 0.755 1.00 0.00 C ATOM 0 H ILE A 66 117.518 -0.005 -1.556 1.00 0.00 H new ATOM 0 HA ILE A 66 118.734 -2.022 -3.325 1.00 0.00 H new ATOM 0 HB ILE A 66 116.707 -2.501 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 66 119.723 -2.792 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 66 118.814 -1.460 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 66 117.529 -4.821 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.867 -4.257 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 66 118.629 -4.344 -2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 66 119.319 -3.145 1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 66 117.563 -3.034 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 66 118.485 -4.387 0.502 1.00 0.00 H new ATOM 854 N PHE A 67 115.880 -0.598 -3.564 1.00 0.00 N ATOM 855 CA PHE A 67 114.655 -0.476 -4.353 1.00 0.00 C ATOM 856 C PHE A 67 114.855 -1.018 -5.766 1.00 0.00 C ATOM 857 O PHE A 67 113.924 -1.537 -6.383 1.00 0.00 O ATOM 858 CB PHE A 67 114.206 0.985 -4.413 1.00 0.00 C ATOM 859 CG PHE A 67 112.719 1.161 -4.286 1.00 0.00 C ATOM 860 CD1 PHE A 67 111.879 0.834 -5.338 1.00 0.00 C ATOM 861 CD2 PHE A 67 112.164 1.653 -3.116 1.00 0.00 C ATOM 862 CE1 PHE A 67 110.510 0.994 -5.225 1.00 0.00 C ATOM 863 CE2 PHE A 67 110.797 1.815 -2.996 1.00 0.00 C ATOM 864 CZ PHE A 67 109.969 1.485 -4.052 1.00 0.00 C ATOM 0 H PHE A 67 116.103 0.225 -3.004 1.00 0.00 H new ATOM 0 HA PHE A 67 113.881 -1.068 -3.865 1.00 0.00 H new ATOM 0 HB2 PHE A 67 114.699 1.541 -3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 67 114.536 1.420 -5.356 1.00 0.00 H new ATOM 0 HD1 PHE A 67 112.298 0.450 -6.256 1.00 0.00 H new ATOM 0 HD2 PHE A 67 112.807 1.913 -2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 67 109.865 0.736 -6.052 1.00 0.00 H new ATOM 0 HE2 PHE A 67 110.376 2.199 -2.078 1.00 0.00 H new ATOM 0 HZ PHE A 67 108.900 1.611 -3.961 1.00 0.00 H new ATOM 874 N THR A 68 116.081 -0.901 -6.267 1.00 0.00 N ATOM 875 CA THR A 68 116.412 -1.385 -7.600 1.00 0.00 C ATOM 876 C THR A 68 117.277 -2.640 -7.520 1.00 0.00 C ATOM 877 O THR A 68 117.310 -3.442 -8.453 1.00 0.00 O ATOM 878 CB THR A 68 117.138 -0.300 -8.396 1.00 0.00 C ATOM 879 OG1 THR A 68 116.382 0.898 -8.417 1.00 0.00 O ATOM 880 CG2 THR A 68 117.414 -0.693 -9.831 1.00 0.00 C ATOM 0 H THR A 68 116.862 -0.474 -5.768 1.00 0.00 H new ATOM 0 HA THR A 68 115.482 -1.636 -8.111 1.00 0.00 H new ATOM 0 HB THR A 68 118.091 -0.157 -7.886 1.00 0.00 H new ATOM 0 HG1 THR A 68 116.864 1.580 -8.929 1.00 0.00 H new ATOM 0 HG21 THR A 68 117.931 0.122 -10.338 1.00 0.00 H new ATOM 0 HG22 THR A 68 118.038 -1.586 -9.850 1.00 0.00 H new ATOM 0 HG23 THR A 68 116.472 -0.898 -10.340 1.00 0.00 H new ATOM 888 N ASP A 69 117.970 -2.809 -6.397 1.00 0.00 N ATOM 889 CA ASP A 69 118.828 -3.971 -6.199 1.00 0.00 C ATOM 890 C ASP A 69 117.988 -5.216 -5.935 1.00 0.00 C ATOM 891 O ASP A 69 118.329 -6.313 -6.379 1.00 0.00 O ATOM 892 CB ASP A 69 119.791 -3.733 -5.035 1.00 0.00 C ATOM 893 CG ASP A 69 121.166 -4.315 -5.293 1.00 0.00 C ATOM 894 OD1 ASP A 69 121.253 -5.346 -5.992 1.00 0.00 O ATOM 895 OD2 ASP A 69 122.157 -3.740 -4.797 1.00 0.00 O ATOM 0 H ASP A 69 117.954 -2.157 -5.613 1.00 0.00 H new ATOM 0 HA ASP A 69 119.409 -4.126 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 69 119.881 -2.662 -4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 69 119.377 -4.175 -4.129 1.00 0.00 H new ATOM 900 N GLN A 70 116.887 -5.036 -5.213 1.00 0.00 N ATOM 901 CA GLN A 70 115.994 -6.142 -4.894 1.00 0.00 C ATOM 902 C GLN A 70 115.282 -6.641 -6.146 1.00 0.00 C ATOM 903 O GLN A 70 114.968 -7.825 -6.264 1.00 0.00 O ATOM 904 CB GLN A 70 114.967 -5.709 -3.845 1.00 0.00 C ATOM 905 CG GLN A 70 114.367 -6.868 -3.065 1.00 0.00 C ATOM 906 CD GLN A 70 112.857 -6.788 -2.970 1.00 0.00 C ATOM 907 OE1 GLN A 70 112.286 -6.864 -1.882 1.00 0.00 O ATOM 908 NE2 GLN A 70 112.199 -6.634 -4.113 1.00 0.00 N ATOM 0 H GLN A 70 116.592 -4.134 -4.838 1.00 0.00 H new ATOM 0 HA GLN A 70 116.593 -6.957 -4.489 1.00 0.00 H new ATOM 0 HB2 GLN A 70 115.442 -5.020 -3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 70 114.165 -5.161 -4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 70 114.648 -7.807 -3.543 1.00 0.00 H new ATOM 0 HG3 GLN A 70 114.790 -6.883 -2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 70 112.712 -6.576 -4.993 1.00 0.00 H new ATOM 0 HE22 GLN A 70 111.181 -6.574 -4.111 1.00 0.00 H new ATOM 917 N VAL A 71 115.030 -5.729 -7.080 1.00 0.00 N ATOM 918 CA VAL A 71 114.356 -6.073 -8.323 1.00 0.00 C ATOM 919 C VAL A 71 115.364 -6.458 -9.402 1.00 0.00 C ATOM 920 O VAL A 71 115.110 -7.348 -10.214 1.00 0.00 O ATOM 921 CB VAL A 71 113.495 -4.898 -8.824 1.00 0.00 C ATOM 922 CG1 VAL A 71 112.837 -5.232 -10.155 1.00 0.00 C ATOM 923 CG2 VAL A 71 112.450 -4.525 -7.784 1.00 0.00 C ATOM 0 H VAL A 71 115.284 -4.745 -6.997 1.00 0.00 H new ATOM 0 HA VAL A 71 113.710 -6.927 -8.119 1.00 0.00 H new ATOM 0 HB VAL A 71 114.148 -4.039 -8.981 1.00 0.00 H new ATOM 0 HG11 VAL A 71 112.235 -4.386 -10.486 1.00 0.00 H new ATOM 0 HG12 VAL A 71 113.606 -5.443 -10.898 1.00 0.00 H new ATOM 0 HG13 VAL A 71 112.198 -6.107 -10.036 1.00 0.00 H new ATOM 0 HG21 VAL A 71 111.850 -3.693 -8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 71 111.804 -5.382 -7.594 1.00 0.00 H new ATOM 0 HG23 VAL A 71 112.946 -4.232 -6.859 1.00 0.00 H new ATOM 933 N LEU A 72 116.509 -5.782 -9.403 1.00 0.00 N ATOM 934 CA LEU A 72 117.555 -6.054 -10.383 1.00 0.00 C ATOM 935 C LEU A 72 118.023 -7.503 -10.292 1.00 0.00 C ATOM 936 O LEU A 72 118.447 -8.092 -11.286 1.00 0.00 O ATOM 937 CB LEU A 72 118.741 -5.109 -10.170 1.00 0.00 C ATOM 938 CG LEU A 72 119.927 -5.338 -11.109 1.00 0.00 C ATOM 939 CD1 LEU A 72 119.572 -4.920 -12.527 1.00 0.00 C ATOM 940 CD2 LEU A 72 121.149 -4.577 -10.617 1.00 0.00 C ATOM 0 H LEU A 72 116.736 -5.043 -8.737 1.00 0.00 H new ATOM 0 HA LEU A 72 117.139 -5.887 -11.377 1.00 0.00 H new ATOM 0 HB2 LEU A 72 118.395 -4.083 -10.290 1.00 0.00 H new ATOM 0 HB3 LEU A 72 119.087 -5.210 -9.141 1.00 0.00 H new ATOM 0 HG LEU A 72 120.163 -6.402 -11.114 1.00 0.00 H new ATOM 0 HD11 LEU A 72 120.427 -5.090 -13.181 1.00 0.00 H new ATOM 0 HD12 LEU A 72 118.724 -5.508 -12.878 1.00 0.00 H new ATOM 0 HD13 LEU A 72 119.310 -3.862 -12.540 1.00 0.00 H new ATOM 0 HD21 LEU A 72 121.984 -4.751 -11.296 1.00 0.00 H new ATOM 0 HD22 LEU A 72 120.924 -3.511 -10.583 1.00 0.00 H new ATOM 0 HD23 LEU A 72 121.416 -4.923 -9.618 1.00 0.00 H new ATOM 952 N SER A 73 117.939 -8.074 -9.094 1.00 0.00 N ATOM 953 CA SER A 73 118.351 -9.455 -8.875 1.00 0.00 C ATOM 954 C SER A 73 117.285 -10.425 -9.373 1.00 0.00 C ATOM 955 O SER A 73 117.586 -11.565 -9.726 1.00 0.00 O ATOM 956 CB SER A 73 118.625 -9.700 -7.391 1.00 0.00 C ATOM 957 OG SER A 73 119.856 -9.120 -6.996 1.00 0.00 O ATOM 0 H SER A 73 117.589 -7.601 -8.261 1.00 0.00 H new ATOM 0 HA SER A 73 119.268 -9.627 -9.439 1.00 0.00 H new ATOM 0 HB2 SER A 73 117.814 -9.281 -6.795 1.00 0.00 H new ATOM 0 HB3 SER A 73 118.645 -10.772 -7.194 1.00 0.00 H new ATOM 0 HG SER A 73 119.708 -8.188 -6.731 1.00 0.00 H new ATOM 963 N VAL A 74 116.037 -9.964 -9.402 1.00 0.00 N ATOM 964 CA VAL A 74 114.929 -10.792 -9.861 1.00 0.00 C ATOM 965 C VAL A 74 115.171 -11.277 -11.285 1.00 0.00 C ATOM 966 O VAL A 74 114.742 -12.369 -11.661 1.00 0.00 O ATOM 967 CB VAL A 74 113.596 -10.022 -9.798 1.00 0.00 C ATOM 968 CG1 VAL A 74 112.449 -10.875 -10.324 1.00 0.00 C ATOM 969 CG2 VAL A 74 113.317 -9.567 -8.374 1.00 0.00 C ATOM 0 H VAL A 74 115.770 -9.023 -9.113 1.00 0.00 H new ATOM 0 HA VAL A 74 114.867 -11.653 -9.196 1.00 0.00 H new ATOM 0 HB VAL A 74 113.679 -9.141 -10.435 1.00 0.00 H new ATOM 0 HG11 VAL A 74 111.519 -10.309 -10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 74 112.645 -11.150 -11.360 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.360 -11.778 -9.720 1.00 0.00 H new ATOM 0 HG21 VAL A 74 112.372 -9.024 -8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 74 113.257 -10.436 -7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 74 114.122 -8.914 -8.037 1.00 0.00 H new ATOM 979 N LEU A 75 115.870 -10.464 -12.071 1.00 0.00 N ATOM 980 CA LEU A 75 116.182 -10.819 -13.449 1.00 0.00 C ATOM 981 C LEU A 75 116.933 -12.147 -13.503 1.00 0.00 C ATOM 982 O LEU A 75 116.918 -12.842 -14.519 1.00 0.00 O ATOM 983 CB LEU A 75 117.014 -9.716 -14.108 1.00 0.00 C ATOM 984 CG LEU A 75 116.530 -9.279 -15.492 1.00 0.00 C ATOM 985 CD1 LEU A 75 116.412 -10.479 -16.419 1.00 0.00 C ATOM 986 CD2 LEU A 75 115.198 -8.553 -15.386 1.00 0.00 C ATOM 0 H LEU A 75 116.230 -9.556 -11.777 1.00 0.00 H new ATOM 0 HA LEU A 75 115.246 -10.927 -13.996 1.00 0.00 H new ATOM 0 HB2 LEU A 75 117.022 -8.846 -13.451 1.00 0.00 H new ATOM 0 HB3 LEU A 75 118.045 -10.061 -14.192 1.00 0.00 H new ATOM 0 HG LEU A 75 117.264 -8.591 -15.912 1.00 0.00 H new ATOM 0 HD11 LEU A 75 116.067 -10.149 -17.399 1.00 0.00 H new ATOM 0 HD12 LEU A 75 117.386 -10.958 -16.520 1.00 0.00 H new ATOM 0 HD13 LEU A 75 115.699 -11.191 -16.004 1.00 0.00 H new ATOM 0 HD21 LEU A 75 114.869 -8.249 -16.380 1.00 0.00 H new ATOM 0 HD22 LEU A 75 114.455 -9.218 -14.945 1.00 0.00 H new ATOM 0 HD23 LEU A 75 115.314 -7.670 -14.757 1.00 0.00 H new ATOM 998 N LYS A 76 117.586 -12.494 -12.395 1.00 0.00 N ATOM 999 CA LYS A 76 118.339 -13.739 -12.308 1.00 0.00 C ATOM 1000 C LYS A 76 118.888 -13.938 -10.904 1.00 0.00 C ATOM 1001 O LYS A 76 119.737 -13.176 -10.440 1.00 0.00 O ATOM 1002 CB LYS A 76 119.479 -13.749 -13.328 1.00 0.00 C ATOM 1003 CG LYS A 76 120.060 -15.131 -13.577 1.00 0.00 C ATOM 1004 CD LYS A 76 120.729 -15.218 -14.940 1.00 0.00 C ATOM 1005 CE LYS A 76 121.993 -16.060 -14.888 1.00 0.00 C ATOM 1006 NZ LYS A 76 122.947 -15.698 -15.972 1.00 0.00 N ATOM 0 H LYS A 76 117.607 -11.929 -11.546 1.00 0.00 H new ATOM 0 HA LYS A 76 117.662 -14.562 -12.534 1.00 0.00 H new ATOM 0 HB2 LYS A 76 119.115 -13.342 -14.271 1.00 0.00 H new ATOM 0 HB3 LYS A 76 120.273 -13.088 -12.980 1.00 0.00 H new ATOM 0 HG2 LYS A 76 120.786 -15.367 -12.799 1.00 0.00 H new ATOM 0 HG3 LYS A 76 119.268 -15.877 -13.511 1.00 0.00 H new ATOM 0 HD2 LYS A 76 120.034 -15.648 -15.661 1.00 0.00 H new ATOM 0 HD3 LYS A 76 120.973 -14.215 -15.291 1.00 0.00 H new ATOM 0 HE2 LYS A 76 122.477 -15.929 -13.920 1.00 0.00 H new ATOM 0 HE3 LYS A 76 121.730 -17.114 -14.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 123.796 -16.295 -15.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 122.495 -15.847 -16.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 123.218 -14.698 -15.876 1.00 0.00 H new ATOM 1020 N GLY A 77 118.387 -14.963 -10.228 1.00 0.00 N ATOM 1021 CA GLY A 77 118.819 -15.247 -8.875 1.00 0.00 C ATOM 1022 C GLY A 77 117.708 -15.032 -7.866 1.00 0.00 C ATOM 1023 O GLY A 77 117.864 -15.340 -6.684 1.00 0.00 O ATOM 0 H GLY A 77 117.685 -15.606 -10.595 1.00 0.00 H new ATOM 0 HA2 GLY A 77 119.168 -16.278 -8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 77 119.666 -14.608 -8.623 1.00 0.00 H new ATOM 1027 N GLU A 78 116.578 -14.503 -8.338 1.00 0.00 N ATOM 1028 CA GLU A 78 115.427 -14.244 -7.482 1.00 0.00 C ATOM 1029 C GLU A 78 115.846 -13.597 -6.165 1.00 0.00 C ATOM 1030 O GLU A 78 115.213 -13.801 -5.129 1.00 0.00 O ATOM 1031 CB GLU A 78 114.680 -15.548 -7.215 1.00 0.00 C ATOM 1032 CG GLU A 78 113.379 -15.363 -6.450 1.00 0.00 C ATOM 1033 CD GLU A 78 112.161 -15.746 -7.267 1.00 0.00 C ATOM 1034 OE1 GLU A 78 112.283 -16.638 -8.133 1.00 0.00 O ATOM 1035 OE2 GLU A 78 111.084 -15.155 -7.041 1.00 0.00 O ATOM 0 H GLU A 78 116.439 -14.245 -9.315 1.00 0.00 H new ATOM 0 HA GLU A 78 114.768 -13.547 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 78 114.465 -16.035 -8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 78 115.329 -16.219 -6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 78 113.407 -15.966 -5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 78 113.290 -14.322 -6.139 1.00 0.00 H new ATOM 1042 N GLU A 79 116.919 -12.816 -6.217 1.00 0.00 N ATOM 1043 CA GLU A 79 117.428 -12.136 -5.031 1.00 0.00 C ATOM 1044 C GLU A 79 116.923 -10.697 -4.971 1.00 0.00 C ATOM 1045 O GLU A 79 116.079 -10.331 -5.815 1.00 0.00 O ATOM 1046 CB GLU A 79 118.957 -12.155 -5.025 1.00 0.00 C ATOM 1047 CG GLU A 79 119.548 -13.287 -4.200 1.00 0.00 C ATOM 1048 CD GLU A 79 119.051 -13.284 -2.768 1.00 0.00 C ATOM 1049 OE1 GLU A 79 119.649 -12.573 -1.933 1.00 0.00 O ATOM 1050 OE2 GLU A 79 118.065 -13.995 -2.481 1.00 0.00 O ATOM 1051 OXT GLU A 79 117.375 -9.950 -4.078 1.00 0.00 O ATOM 0 H GLU A 79 117.453 -12.638 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 79 117.062 -12.666 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 79 119.315 -12.239 -6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 79 119.322 -11.204 -4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 79 119.298 -14.240 -4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 79 120.635 -13.206 -4.204 1.00 0.00 H new TER 1058 GLU A 79