USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 773 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 39 HIS :FLIP no HE2:sc= -15.9! C(o=-25!,f=-23!) USER MOD Set 1.2: A 89 CYS SG : rot 50:sc= -0.529 USER MOD Set 1.3: A 92 HIS :FLIP no HD1:sc= -6.42 F(o=-24!,f=-23) USER MOD Set 2.1: A 67 SER OG : rot 130:sc= -0.173 USER MOD Set 2.2: A 70 GLN : amide:sc= 0 X(o=-0.17,f=-0.011) USER MOD Set 3.1: A 40 ASN : amide:sc= -2.37! C(o=-5.9!,f=-17!) USER MOD Set 3.2: A 61 HIS : no HE2:sc= -3.53! C(o=-5.9!,f=-10!) USER MOD Set 4.1: A 20 LYS NZ :NH3+ 155:sc= -0.62 (180deg=-1.57) USER MOD Set 4.2: A 102 THR OG1 : rot 180:sc=0.000629 USER MOD Single : A 2 THR OG1 : rot 29:sc= 0.0383 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.00267 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.142 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 33 ASN : amide:sc= -10.1! C(o=-10!,f=-21!) USER MOD Single : A 34 ASN : amide:sc= -0.775 K(o=-0.77,f=-1.9) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -1.19! C(o=-1.2!,f=-7.1!) USER MOD Single : A 51 LYS NZ :NH3+ -115:sc= -1.06 (180deg=-2.99!) USER MOD Single : A 52 SER OG : rot 53:sc= 0.0689 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0474 USER MOD Single : A 60 SER OG : rot 79:sc= -4.57! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.11) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 110:sc= -3.56! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 48:sc= 0.446 USER MOD Single : A 74 THR OG1 : rot 121:sc= -0.256! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -56:sc= -1.09! USER MOD Single : A 86 THR OG1 : rot -25:sc= 0.0186 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -107:sc= -5.87! (180deg=-8.77!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 0.665 14.972 0.691 1.00 0.00 N ATOM 19 CA THR A 2 0.436 13.594 1.208 1.00 0.00 C ATOM 20 C THR A 2 -0.235 12.746 0.126 1.00 0.00 C ATOM 21 O THR A 2 -1.251 13.119 -0.426 1.00 0.00 O ATOM 22 CB THR A 2 -0.473 13.657 2.437 1.00 0.00 C ATOM 23 OG1 THR A 2 0.205 14.324 3.492 1.00 0.00 O ATOM 24 CG2 THR A 2 -0.839 12.238 2.876 1.00 0.00 C ATOM 0 HA THR A 2 1.392 13.146 1.481 1.00 0.00 H new ATOM 0 HB THR A 2 -1.383 14.203 2.189 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.837 14.972 3.117 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.487 12.284 3.752 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.360 11.729 2.065 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.069 11.688 3.125 1.00 0.00 H new ATOM 32 N TYR A 3 0.324 11.608 -0.181 1.00 0.00 N ATOM 33 CA TYR A 3 -0.284 10.737 -1.225 1.00 0.00 C ATOM 34 C TYR A 3 -1.268 9.768 -0.567 1.00 0.00 C ATOM 35 O TYR A 3 -1.003 9.215 0.482 1.00 0.00 O ATOM 36 CB TYR A 3 0.821 9.951 -1.933 1.00 0.00 C ATOM 37 CG TYR A 3 1.710 10.911 -2.688 1.00 0.00 C ATOM 38 CD1 TYR A 3 2.528 11.806 -1.987 1.00 0.00 C ATOM 39 CD2 TYR A 3 1.714 10.910 -4.088 1.00 0.00 C ATOM 40 CE1 TYR A 3 3.351 12.698 -2.686 1.00 0.00 C ATOM 41 CE2 TYR A 3 2.537 11.802 -4.787 1.00 0.00 C ATOM 42 CZ TYR A 3 3.355 12.695 -4.086 1.00 0.00 C ATOM 43 OH TYR A 3 4.166 13.575 -4.774 1.00 0.00 O ATOM 0 H TYR A 3 1.176 11.244 0.246 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.815 11.350 -1.953 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.407 9.390 -1.206 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.385 9.225 -2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.524 11.808 -0.907 1.00 0.00 H new ATOM 0 HD2 TYR A 3 1.082 10.221 -4.629 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.982 13.388 -2.145 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.540 11.801 -5.867 1.00 0.00 H new ATOM 0 HH TYR A 3 4.050 13.442 -5.738 1.00 0.00 H new ATOM 53 N THR A 4 -2.408 9.565 -1.170 1.00 0.00 N ATOM 54 CA THR A 4 -3.411 8.639 -0.572 1.00 0.00 C ATOM 55 C THR A 4 -4.054 7.795 -1.675 1.00 0.00 C ATOM 56 O THR A 4 -4.803 8.292 -2.492 1.00 0.00 O ATOM 57 CB THR A 4 -4.493 9.459 0.136 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.895 10.585 0.763 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.188 8.596 1.188 1.00 0.00 C ATOM 0 H THR A 4 -2.688 10.000 -2.049 1.00 0.00 H new ATOM 0 HA THR A 4 -2.918 7.982 0.144 1.00 0.00 H new ATOM 0 HB THR A 4 -5.229 9.796 -0.594 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.586 11.113 1.216 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.957 9.183 1.690 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.647 7.733 0.705 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.456 8.255 1.920 1.00 0.00 H new ATOM 67 N VAL A 5 -3.768 6.521 -1.705 1.00 0.00 N ATOM 68 CA VAL A 5 -4.361 5.647 -2.750 1.00 0.00 C ATOM 69 C VAL A 5 -5.601 4.948 -2.187 1.00 0.00 C ATOM 70 O VAL A 5 -5.504 4.071 -1.351 1.00 0.00 O ATOM 71 CB VAL A 5 -3.333 4.599 -3.165 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.072 5.294 -3.681 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.977 3.730 -1.957 1.00 0.00 C ATOM 0 H VAL A 5 -3.147 6.049 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.645 6.248 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.751 3.974 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.339 4.544 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.324 5.914 -4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.653 5.920 -2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.243 2.981 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.560 4.356 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.875 3.233 -1.589 1.00 0.00 H new ATOM 83 N LYS A 6 -6.765 5.326 -2.637 1.00 0.00 N ATOM 84 CA LYS A 6 -8.005 4.677 -2.126 1.00 0.00 C ATOM 85 C LYS A 6 -8.299 3.421 -2.950 1.00 0.00 C ATOM 86 O LYS A 6 -8.177 3.419 -4.158 1.00 0.00 O ATOM 87 CB LYS A 6 -9.181 5.651 -2.249 1.00 0.00 C ATOM 88 CG LYS A 6 -9.127 6.669 -1.107 1.00 0.00 C ATOM 89 CD LYS A 6 -9.341 8.078 -1.668 1.00 0.00 C ATOM 90 CE LYS A 6 -10.573 8.709 -1.014 1.00 0.00 C ATOM 91 NZ LYS A 6 -10.280 10.129 -0.667 1.00 0.00 N ATOM 0 H LYS A 6 -6.911 6.055 -3.335 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.866 4.404 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.142 6.165 -3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.124 5.104 -2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.893 6.441 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.164 6.611 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.461 8.693 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.473 8.034 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.424 8.658 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.846 8.153 -0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.117 10.558 -0.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.479 10.166 -0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.039 10.655 -1.531 1.00 0.00 H new ATOM 105 N LEU A 7 -8.690 2.355 -2.307 1.00 0.00 N ATOM 106 CA LEU A 7 -8.999 1.106 -3.057 1.00 0.00 C ATOM 107 C LEU A 7 -10.511 1.006 -3.261 1.00 0.00 C ATOM 108 O LEU A 7 -11.200 0.306 -2.545 1.00 0.00 O ATOM 109 CB LEU A 7 -8.506 -0.123 -2.279 1.00 0.00 C ATOM 110 CG LEU A 7 -8.413 0.183 -0.782 1.00 0.00 C ATOM 111 CD1 LEU A 7 -8.505 -1.122 0.011 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.075 0.865 -0.481 1.00 0.00 C ATOM 0 H LEU A 7 -8.809 2.295 -1.296 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.492 1.136 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.186 -0.959 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.529 -0.429 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.231 0.844 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.439 -0.905 1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.456 -1.611 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.686 -1.781 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.009 1.083 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.257 0.204 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.005 1.794 -1.046 1.00 0.00 H new ATOM 124 N GLY A 8 -11.033 1.704 -4.231 1.00 0.00 N ATOM 125 CA GLY A 8 -12.501 1.655 -4.481 1.00 0.00 C ATOM 126 C GLY A 8 -13.029 3.075 -4.694 1.00 0.00 C ATOM 127 O GLY A 8 -13.585 3.680 -3.800 1.00 0.00 O ATOM 0 H GLY A 8 -10.506 2.307 -4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.711 1.042 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.009 1.189 -3.637 1.00 0.00 H new ATOM 131 N SER A 9 -12.857 3.613 -5.871 1.00 0.00 N ATOM 132 CA SER A 9 -13.346 4.994 -6.138 1.00 0.00 C ATOM 133 C SER A 9 -14.822 5.099 -5.749 1.00 0.00 C ATOM 134 O SER A 9 -15.157 5.450 -4.635 1.00 0.00 O ATOM 135 CB SER A 9 -13.190 5.311 -7.626 1.00 0.00 C ATOM 136 OG SER A 9 -13.474 4.145 -8.387 1.00 0.00 O ATOM 0 H SER A 9 -12.399 3.155 -6.659 1.00 0.00 H new ATOM 0 HA SER A 9 -12.764 5.704 -5.550 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.865 6.118 -7.910 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.177 5.656 -7.832 1.00 0.00 H new ATOM 0 HG SER A 9 -13.377 4.345 -9.341 1.00 0.00 H new ATOM 142 N ASP A 10 -15.707 4.798 -6.659 1.00 0.00 N ATOM 143 CA ASP A 10 -17.161 4.882 -6.344 1.00 0.00 C ATOM 144 C ASP A 10 -17.971 4.301 -7.505 1.00 0.00 C ATOM 145 O ASP A 10 -19.032 4.789 -7.839 1.00 0.00 O ATOM 146 CB ASP A 10 -17.554 6.345 -6.133 1.00 0.00 C ATOM 147 CG ASP A 10 -18.541 6.446 -4.970 1.00 0.00 C ATOM 148 OD1 ASP A 10 -19.569 5.791 -5.032 1.00 0.00 O ATOM 149 OD2 ASP A 10 -18.253 7.176 -4.036 1.00 0.00 O ATOM 0 H ASP A 10 -15.486 4.497 -7.608 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.368 4.314 -5.437 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.668 6.944 -5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.004 6.746 -7.041 1.00 0.00 H new ATOM 154 N LYS A 11 -17.480 3.262 -8.123 1.00 0.00 N ATOM 155 CA LYS A 11 -18.225 2.654 -9.261 1.00 0.00 C ATOM 156 C LYS A 11 -18.378 1.151 -9.024 1.00 0.00 C ATOM 157 O LYS A 11 -18.611 0.389 -9.941 1.00 0.00 O ATOM 158 CB LYS A 11 -17.452 2.892 -10.560 1.00 0.00 C ATOM 159 CG LYS A 11 -17.484 4.382 -10.906 1.00 0.00 C ATOM 160 CD LYS A 11 -16.103 4.993 -10.662 1.00 0.00 C ATOM 161 CE LYS A 11 -16.257 6.351 -9.974 1.00 0.00 C ATOM 162 NZ LYS A 11 -15.199 7.278 -10.465 1.00 0.00 N ATOM 0 H LYS A 11 -16.597 2.809 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.212 3.111 -9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.421 2.555 -10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.892 2.310 -11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.774 4.518 -11.948 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.231 4.891 -10.298 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.503 4.326 -10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.574 5.111 -11.608 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.244 6.766 -10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.180 6.234 -8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.303 8.201 -9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.262 6.883 -10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.293 7.398 -11.494 1.00 0.00 H new ATOM 176 N GLY A 12 -18.249 0.717 -7.799 1.00 0.00 N ATOM 177 CA GLY A 12 -18.388 -0.738 -7.506 1.00 0.00 C ATOM 178 C GLY A 12 -17.154 -1.482 -8.016 1.00 0.00 C ATOM 179 O GLY A 12 -17.244 -2.587 -8.514 1.00 0.00 O ATOM 0 H GLY A 12 -18.054 1.306 -6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.502 -0.894 -6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -19.286 -1.132 -7.983 1.00 0.00 H new ATOM 183 N LEU A 13 -16.000 -0.885 -7.895 1.00 0.00 N ATOM 184 CA LEU A 13 -14.759 -1.557 -8.372 1.00 0.00 C ATOM 185 C LEU A 13 -13.628 -1.303 -7.376 1.00 0.00 C ATOM 186 O LEU A 13 -13.479 -0.216 -6.853 1.00 0.00 O ATOM 187 CB LEU A 13 -14.369 -0.998 -9.741 1.00 0.00 C ATOM 188 CG LEU A 13 -15.424 -1.396 -10.773 1.00 0.00 C ATOM 189 CD1 LEU A 13 -15.228 -0.575 -12.048 1.00 0.00 C ATOM 190 CD2 LEU A 13 -15.282 -2.885 -11.097 1.00 0.00 C ATOM 0 H LEU A 13 -15.863 0.039 -7.486 1.00 0.00 H new ATOM 0 HA LEU A 13 -14.936 -2.629 -8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -14.284 0.088 -9.692 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -13.392 -1.381 -10.037 1.00 0.00 H new ATOM 0 HG LEU A 13 -16.418 -1.204 -10.369 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -15.981 -0.860 -12.783 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -15.329 0.485 -11.817 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -14.234 -0.765 -12.454 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -16.034 -3.171 -11.833 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -14.288 -3.076 -11.501 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -15.423 -3.470 -10.188 1.00 0.00 H new ATOM 202 N LEU A 14 -12.829 -2.297 -7.107 1.00 0.00 N ATOM 203 CA LEU A 14 -11.709 -2.113 -6.143 1.00 0.00 C ATOM 204 C LEU A 14 -10.399 -1.923 -6.910 1.00 0.00 C ATOM 205 O LEU A 14 -9.927 -2.817 -7.583 1.00 0.00 O ATOM 206 CB LEU A 14 -11.605 -3.346 -5.245 1.00 0.00 C ATOM 207 CG LEU A 14 -12.798 -3.381 -4.289 1.00 0.00 C ATOM 208 CD1 LEU A 14 -13.075 -4.824 -3.863 1.00 0.00 C ATOM 209 CD2 LEU A 14 -12.480 -2.537 -3.052 1.00 0.00 C ATOM 0 H LEU A 14 -12.903 -3.230 -7.513 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.897 -1.232 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.585 -4.251 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.673 -3.320 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.677 -2.979 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.926 -4.845 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.300 -5.426 -4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.197 -5.230 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.328 -2.560 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.600 -2.942 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.285 -1.508 -3.354 1.00 0.00 H new ATOM 221 N VAL A 15 -9.808 -0.764 -6.813 1.00 0.00 N ATOM 222 CA VAL A 15 -8.529 -0.516 -7.536 1.00 0.00 C ATOM 223 C VAL A 15 -7.775 0.630 -6.856 1.00 0.00 C ATOM 224 O VAL A 15 -8.355 1.442 -6.163 1.00 0.00 O ATOM 225 CB VAL A 15 -8.833 -0.143 -8.988 1.00 0.00 C ATOM 226 CG1 VAL A 15 -9.346 -1.376 -9.734 1.00 0.00 C ATOM 227 CG2 VAL A 15 -9.903 0.951 -9.017 1.00 0.00 C ATOM 0 H VAL A 15 -10.156 0.022 -6.264 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.914 -1.416 -7.514 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.925 0.221 -9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.563 -1.111 -10.769 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.586 -2.157 -9.711 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.255 -1.739 -9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.122 1.219 -10.051 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.811 0.585 -8.537 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.540 1.829 -8.484 1.00 0.00 H new ATOM 237 N PHE A 16 -6.484 0.700 -7.044 1.00 0.00 N ATOM 238 CA PHE A 16 -5.696 1.790 -6.403 1.00 0.00 C ATOM 239 C PHE A 16 -5.807 3.065 -7.241 1.00 0.00 C ATOM 240 O PHE A 16 -5.909 3.017 -8.451 1.00 0.00 O ATOM 241 CB PHE A 16 -4.227 1.369 -6.305 1.00 0.00 C ATOM 242 CG PHE A 16 -4.002 0.621 -5.011 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.477 -0.688 -4.867 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.318 1.238 -3.957 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.269 -1.380 -3.667 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.110 0.546 -2.757 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.585 -0.763 -2.613 1.00 0.00 C ATOM 0 H PHE A 16 -5.942 0.050 -7.613 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.087 1.979 -5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.961 0.738 -7.153 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.582 2.247 -6.347 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.004 -1.164 -5.681 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.951 2.247 -4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.636 -2.389 -3.555 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.583 1.022 -1.943 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.424 -1.297 -1.688 1.00 0.00 H new ATOM 257 N GLU A 17 -5.787 4.206 -6.608 1.00 0.00 N ATOM 258 CA GLU A 17 -5.892 5.484 -7.368 1.00 0.00 C ATOM 259 C GLU A 17 -4.930 6.516 -6.766 1.00 0.00 C ATOM 260 O GLU A 17 -5.180 7.032 -5.694 1.00 0.00 O ATOM 261 CB GLU A 17 -7.325 6.014 -7.275 1.00 0.00 C ATOM 262 CG GLU A 17 -8.194 5.329 -8.331 1.00 0.00 C ATOM 263 CD GLU A 17 -7.942 5.972 -9.696 1.00 0.00 C ATOM 264 OE1 GLU A 17 -6.986 6.722 -9.809 1.00 0.00 O ATOM 265 OE2 GLU A 17 -8.710 5.704 -10.606 1.00 0.00 O ATOM 0 H GLU A 17 -5.702 4.309 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.633 5.309 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.729 5.827 -6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.335 7.094 -7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.964 4.264 -8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.247 5.418 -8.064 1.00 0.00 H new ATOM 272 N PRO A 18 -3.856 6.792 -7.467 1.00 0.00 N ATOM 273 CA PRO A 18 -3.545 6.172 -8.768 1.00 0.00 C ATOM 274 C PRO A 18 -2.988 4.758 -8.574 1.00 0.00 C ATOM 275 O PRO A 18 -2.785 4.307 -7.464 1.00 0.00 O ATOM 276 CB PRO A 18 -2.479 7.100 -9.357 1.00 0.00 C ATOM 277 CG PRO A 18 -1.841 7.850 -8.169 1.00 0.00 C ATOM 278 CD PRO A 18 -2.844 7.764 -7.009 1.00 0.00 C ATOM 0 HA PRO A 18 -4.419 6.065 -9.411 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.728 6.529 -9.903 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.923 7.801 -10.064 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.888 7.399 -7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.638 8.889 -8.430 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.361 7.431 -6.090 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.293 8.735 -6.799 1.00 0.00 H new ATOM 286 N ALA A 19 -2.739 4.058 -9.647 1.00 0.00 N ATOM 287 CA ALA A 19 -2.197 2.677 -9.527 1.00 0.00 C ATOM 288 C ALA A 19 -0.763 2.741 -9.001 1.00 0.00 C ATOM 289 O ALA A 19 -0.454 2.222 -7.947 1.00 0.00 O ATOM 290 CB ALA A 19 -2.203 2.008 -10.903 1.00 0.00 C ATOM 0 H ALA A 19 -2.888 4.384 -10.602 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.814 2.100 -8.838 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.806 0.996 -10.817 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.224 1.967 -11.283 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.583 2.584 -11.590 1.00 0.00 H new ATOM 296 N LYS A 20 0.115 3.378 -9.724 1.00 0.00 N ATOM 297 CA LYS A 20 1.527 3.480 -9.261 1.00 0.00 C ATOM 298 C LYS A 20 1.644 4.623 -8.252 1.00 0.00 C ATOM 299 O LYS A 20 0.698 5.345 -8.009 1.00 0.00 O ATOM 300 CB LYS A 20 2.438 3.759 -10.458 1.00 0.00 C ATOM 301 CG LYS A 20 3.707 2.913 -10.340 1.00 0.00 C ATOM 302 CD LYS A 20 4.336 2.743 -11.724 1.00 0.00 C ATOM 303 CE LYS A 20 5.857 2.656 -11.585 1.00 0.00 C ATOM 304 NZ LYS A 20 6.203 1.636 -10.556 1.00 0.00 N ATOM 0 H LYS A 20 -0.084 3.832 -10.615 1.00 0.00 H new ATOM 0 HA LYS A 20 1.827 2.544 -8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.918 3.526 -11.387 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.696 4.818 -10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.415 3.392 -9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.469 1.938 -9.915 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.952 1.842 -12.202 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.066 3.583 -12.364 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.306 2.390 -12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.263 3.627 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.158 1.267 -10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.177 2.072 -9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.516 0.856 -10.596 1.00 0.00 H new ATOM 318 N LEU A 21 2.794 4.794 -7.657 1.00 0.00 N ATOM 319 CA LEU A 21 2.950 5.893 -6.665 1.00 0.00 C ATOM 320 C LEU A 21 4.430 6.242 -6.496 1.00 0.00 C ATOM 321 O LEU A 21 5.176 5.531 -5.851 1.00 0.00 O ATOM 322 CB LEU A 21 2.383 5.443 -5.319 1.00 0.00 C ATOM 323 CG LEU A 21 1.836 6.655 -4.564 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.477 7.048 -5.145 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.674 6.301 -3.085 1.00 0.00 C ATOM 0 H LEU A 21 3.625 4.224 -7.814 1.00 0.00 H new ATOM 0 HA LEU A 21 2.413 6.772 -7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.591 4.710 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.160 4.955 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 21 2.529 7.490 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.087 7.912 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.591 7.299 -6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.217 6.214 -5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.284 7.164 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.980 5.466 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.642 6.020 -2.670 1.00 0.00 H new ATOM 337 N THR A 22 4.859 7.341 -7.055 1.00 0.00 N ATOM 338 CA THR A 22 6.285 7.743 -6.907 1.00 0.00 C ATOM 339 C THR A 22 6.429 8.552 -5.618 1.00 0.00 C ATOM 340 O THR A 22 6.277 9.758 -5.609 1.00 0.00 O ATOM 341 CB THR A 22 6.708 8.598 -8.104 1.00 0.00 C ATOM 342 OG1 THR A 22 6.405 7.907 -9.307 1.00 0.00 O ATOM 343 CG2 THR A 22 8.211 8.870 -8.035 1.00 0.00 C ATOM 0 H THR A 22 4.283 7.977 -7.607 1.00 0.00 H new ATOM 0 HA THR A 22 6.920 6.858 -6.866 1.00 0.00 H new ATOM 0 HB THR A 22 6.169 9.545 -8.082 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.674 8.454 -10.075 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.510 9.479 -8.888 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.443 9.401 -7.111 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.753 7.925 -8.056 1.00 0.00 H new ATOM 351 N ILE A 23 6.701 7.895 -4.525 1.00 0.00 N ATOM 352 CA ILE A 23 6.832 8.618 -3.234 1.00 0.00 C ATOM 353 C ILE A 23 8.298 8.842 -2.900 1.00 0.00 C ATOM 354 O ILE A 23 9.179 8.201 -3.436 1.00 0.00 O ATOM 355 CB ILE A 23 6.200 7.791 -2.114 1.00 0.00 C ATOM 356 CG1 ILE A 23 6.767 6.368 -2.145 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.690 7.745 -2.314 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.479 6.065 -0.823 1.00 0.00 C ATOM 0 H ILE A 23 6.838 6.886 -4.472 1.00 0.00 H new ATOM 0 HA ILE A 23 6.326 9.579 -3.325 1.00 0.00 H new ATOM 0 HB ILE A 23 6.426 8.247 -1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.964 5.650 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.464 6.262 -2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.235 7.156 -1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.289 8.758 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.464 7.288 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.880 5.052 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.294 6.774 -0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.770 6.153 0.000 1.00 0.00 H new ATOM 370 N LYS A 24 8.560 9.735 -1.991 1.00 0.00 N ATOM 371 CA LYS A 24 9.961 9.994 -1.587 1.00 0.00 C ATOM 372 C LYS A 24 10.308 9.019 -0.457 1.00 0.00 C ATOM 373 O LYS A 24 9.425 8.394 0.097 1.00 0.00 O ATOM 374 CB LYS A 24 10.085 11.443 -1.103 1.00 0.00 C ATOM 375 CG LYS A 24 9.356 12.371 -2.078 1.00 0.00 C ATOM 376 CD LYS A 24 10.367 13.310 -2.740 1.00 0.00 C ATOM 377 CE LYS A 24 9.642 14.244 -3.711 1.00 0.00 C ATOM 378 NZ LYS A 24 10.612 15.225 -4.276 1.00 0.00 N ATOM 0 H LYS A 24 7.859 10.298 -1.510 1.00 0.00 H new ATOM 0 HA LYS A 24 10.645 9.850 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.660 11.542 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.135 11.725 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.837 11.784 -2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.598 12.949 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.889 13.893 -1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.122 12.731 -3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.184 13.666 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.837 14.768 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.119 15.860 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.030 15.784 -3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.365 14.717 -4.782 1.00 0.00 H new ATOM 392 N PRO A 25 11.572 8.903 -0.143 1.00 0.00 N ATOM 393 CA PRO A 25 12.024 7.992 0.921 1.00 0.00 C ATOM 394 C PRO A 25 11.653 8.561 2.289 1.00 0.00 C ATOM 395 O PRO A 25 12.412 9.286 2.900 1.00 0.00 O ATOM 396 CB PRO A 25 13.541 7.924 0.722 1.00 0.00 C ATOM 397 CG PRO A 25 13.932 9.194 -0.068 1.00 0.00 C ATOM 398 CD PRO A 25 12.658 9.664 -0.795 1.00 0.00 C ATOM 0 HA PRO A 25 11.565 7.005 0.876 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.058 7.888 1.681 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.821 7.024 0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.305 9.969 0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.728 8.978 -0.780 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.512 10.739 -0.689 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.707 9.453 -1.863 1.00 0.00 H new ATOM 406 N GLY A 26 10.479 8.243 2.767 1.00 0.00 N ATOM 407 CA GLY A 26 10.042 8.769 4.091 1.00 0.00 C ATOM 408 C GLY A 26 8.694 9.478 3.937 1.00 0.00 C ATOM 409 O GLY A 26 8.112 9.939 4.898 1.00 0.00 O ATOM 0 H GLY A 26 9.804 7.641 2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.956 7.953 4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.787 9.461 4.483 1.00 0.00 H new ATOM 413 N ASP A 27 8.193 9.568 2.734 1.00 0.00 N ATOM 414 CA ASP A 27 6.885 10.247 2.520 1.00 0.00 C ATOM 415 C ASP A 27 5.786 9.490 3.269 1.00 0.00 C ATOM 416 O ASP A 27 6.056 8.623 4.077 1.00 0.00 O ATOM 417 CB ASP A 27 6.563 10.267 1.024 1.00 0.00 C ATOM 418 CG ASP A 27 7.274 11.450 0.364 1.00 0.00 C ATOM 419 OD1 ASP A 27 7.887 12.222 1.082 1.00 0.00 O ATOM 420 OD2 ASP A 27 7.196 11.562 -0.848 1.00 0.00 O ATOM 0 H ASP A 27 8.634 9.200 1.891 1.00 0.00 H new ATOM 0 HA ASP A 27 6.940 11.269 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.881 9.333 0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.486 10.347 0.874 1.00 0.00 H new ATOM 425 N THR A 28 4.549 9.810 3.007 1.00 0.00 N ATOM 426 CA THR A 28 3.436 9.113 3.701 1.00 0.00 C ATOM 427 C THR A 28 2.424 8.617 2.666 1.00 0.00 C ATOM 428 O THR A 28 1.994 9.354 1.802 1.00 0.00 O ATOM 429 CB THR A 28 2.748 10.085 4.662 1.00 0.00 C ATOM 430 OG1 THR A 28 3.730 10.734 5.459 1.00 0.00 O ATOM 431 CG2 THR A 28 1.780 9.316 5.565 1.00 0.00 C ATOM 0 H THR A 28 4.263 10.527 2.340 1.00 0.00 H new ATOM 0 HA THR A 28 3.829 8.265 4.261 1.00 0.00 H new ATOM 0 HB THR A 28 2.193 10.829 4.091 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.292 11.358 6.074 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.291 10.010 6.249 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.028 8.819 4.952 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.331 8.570 6.138 1.00 0.00 H new ATOM 439 N VAL A 29 2.039 7.374 2.748 1.00 0.00 N ATOM 440 CA VAL A 29 1.057 6.832 1.775 1.00 0.00 C ATOM 441 C VAL A 29 -0.168 6.312 2.528 1.00 0.00 C ATOM 442 O VAL A 29 -0.081 5.378 3.300 1.00 0.00 O ATOM 443 CB VAL A 29 1.698 5.690 0.984 1.00 0.00 C ATOM 444 CG1 VAL A 29 0.879 5.420 -0.280 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.124 6.083 0.592 1.00 0.00 C ATOM 0 H VAL A 29 2.365 6.710 3.450 1.00 0.00 H new ATOM 0 HA VAL A 29 0.752 7.620 1.086 1.00 0.00 H new ATOM 0 HB VAL A 29 1.722 4.790 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.336 4.606 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.138 5.142 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.854 6.319 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.583 5.271 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.097 6.982 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.709 6.276 1.492 1.00 0.00 H new ATOM 455 N GLU A 30 -1.308 6.909 2.313 1.00 0.00 N ATOM 456 CA GLU A 30 -2.529 6.447 3.020 1.00 0.00 C ATOM 457 C GLU A 30 -3.353 5.553 2.092 1.00 0.00 C ATOM 458 O GLU A 30 -3.589 5.876 0.945 1.00 0.00 O ATOM 459 CB GLU A 30 -3.368 7.653 3.449 1.00 0.00 C ATOM 460 CG GLU A 30 -3.368 7.754 4.976 1.00 0.00 C ATOM 461 CD GLU A 30 -4.334 6.718 5.555 1.00 0.00 C ATOM 462 OE1 GLU A 30 -5.350 6.469 4.928 1.00 0.00 O ATOM 463 OE2 GLU A 30 -4.040 6.192 6.616 1.00 0.00 O ATOM 0 H GLU A 30 -1.444 7.696 1.678 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.238 5.880 3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.962 8.566 3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.389 7.550 3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.363 7.586 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.665 8.756 5.285 1.00 0.00 H new ATOM 470 N PHE A 31 -3.788 4.430 2.586 1.00 0.00 N ATOM 471 CA PHE A 31 -4.599 3.498 1.749 1.00 0.00 C ATOM 472 C PHE A 31 -5.832 3.084 2.556 1.00 0.00 C ATOM 473 O PHE A 31 -5.777 2.168 3.346 1.00 0.00 O ATOM 474 CB PHE A 31 -3.768 2.251 1.395 1.00 0.00 C ATOM 475 CG PHE A 31 -2.338 2.416 1.875 1.00 0.00 C ATOM 476 CD1 PHE A 31 -2.042 2.306 3.241 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.313 2.685 0.958 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.725 2.465 3.687 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.004 2.843 1.406 1.00 0.00 C ATOM 480 CZ PHE A 31 0.297 2.733 2.771 1.00 0.00 C ATOM 0 H PHE A 31 -3.617 4.113 3.540 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.898 3.990 0.823 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.213 1.368 1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.781 2.092 0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.830 2.099 3.949 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.539 2.770 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.498 2.381 4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.794 3.050 0.699 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.313 2.855 3.116 1.00 0.00 H new ATOM 490 N LEU A 32 -6.937 3.765 2.378 1.00 0.00 N ATOM 491 CA LEU A 32 -8.161 3.432 3.163 1.00 0.00 C ATOM 492 C LEU A 32 -9.083 2.520 2.361 1.00 0.00 C ATOM 493 O LEU A 32 -8.790 2.136 1.247 1.00 0.00 O ATOM 494 CB LEU A 32 -8.907 4.724 3.506 1.00 0.00 C ATOM 495 CG LEU A 32 -7.899 5.850 3.752 1.00 0.00 C ATOM 496 CD1 LEU A 32 -7.949 6.843 2.590 1.00 0.00 C ATOM 497 CD2 LEU A 32 -8.254 6.574 5.052 1.00 0.00 C ATOM 0 H LEU A 32 -7.042 4.538 1.721 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.862 2.915 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.579 4.995 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.524 4.575 4.392 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.896 5.429 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.231 7.645 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.700 6.329 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.952 7.264 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.538 7.376 5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.257 6.994 4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.221 5.868 5.882 1.00 0.00 H new ATOM 509 N ASN A 33 -10.191 2.148 2.940 1.00 0.00 N ATOM 510 CA ASN A 33 -11.128 1.234 2.240 1.00 0.00 C ATOM 511 C ASN A 33 -12.374 2.016 1.802 1.00 0.00 C ATOM 512 O ASN A 33 -12.712 3.029 2.382 1.00 0.00 O ATOM 513 CB ASN A 33 -11.491 0.095 3.208 1.00 0.00 C ATOM 514 CG ASN A 33 -12.758 0.397 4.001 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.162 1.531 4.141 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.399 -0.596 4.537 1.00 0.00 N ATOM 0 H ASN A 33 -10.486 2.440 3.871 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.671 0.812 1.345 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.628 -0.828 2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.663 -0.071 3.898 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.246 -0.423 5.078 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.056 -1.549 4.417 1.00 0.00 H new ATOM 523 N ASN A 34 -13.058 1.563 0.786 1.00 0.00 N ATOM 524 CA ASN A 34 -14.273 2.298 0.329 1.00 0.00 C ATOM 525 C ASN A 34 -15.266 1.323 -0.309 1.00 0.00 C ATOM 526 O ASN A 34 -16.397 1.208 0.118 1.00 0.00 O ATOM 527 CB ASN A 34 -13.873 3.357 -0.701 1.00 0.00 C ATOM 528 CG ASN A 34 -15.100 4.184 -1.088 1.00 0.00 C ATOM 529 OD1 ASN A 34 -15.767 4.738 -0.236 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.428 4.293 -2.346 1.00 0.00 N ATOM 0 H ASN A 34 -12.830 0.722 0.256 1.00 0.00 H new ATOM 0 HA ASN A 34 -14.742 2.778 1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.100 4.006 -0.289 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.451 2.878 -1.585 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.244 4.843 -2.614 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.868 3.828 -3.061 1.00 0.00 H new ATOM 537 N LYS A 35 -14.856 0.630 -1.335 1.00 0.00 N ATOM 538 CA LYS A 35 -15.783 -0.323 -2.005 1.00 0.00 C ATOM 539 C LYS A 35 -16.220 -1.389 -0.998 1.00 0.00 C ATOM 540 O LYS A 35 -16.341 -1.127 0.181 1.00 0.00 O ATOM 541 CB LYS A 35 -15.059 -0.988 -3.185 1.00 0.00 C ATOM 542 CG LYS A 35 -15.966 -1.079 -4.433 1.00 0.00 C ATOM 543 CD LYS A 35 -17.458 -1.089 -4.063 1.00 0.00 C ATOM 544 CE LYS A 35 -18.058 0.292 -4.350 1.00 0.00 C ATOM 545 NZ LYS A 35 -19.528 0.260 -4.110 1.00 0.00 N ATOM 0 H LYS A 35 -13.920 0.683 -1.738 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.660 0.208 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.161 -0.420 -3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -14.735 -1.988 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.762 -0.235 -5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.725 -1.984 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.982 -1.853 -4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.582 -1.341 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.592 1.042 -3.711 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.854 0.581 -5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.932 1.198 -4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.967 -0.444 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.712 0.003 -3.119 1.00 0.00 H new ATOM 559 N VAL A 36 -16.460 -2.585 -1.455 1.00 0.00 N ATOM 560 CA VAL A 36 -16.894 -3.672 -0.527 1.00 0.00 C ATOM 561 C VAL A 36 -15.733 -4.034 0.413 1.00 0.00 C ATOM 562 O VAL A 36 -14.728 -4.558 -0.026 1.00 0.00 O ATOM 563 CB VAL A 36 -17.287 -4.904 -1.347 1.00 0.00 C ATOM 564 CG1 VAL A 36 -17.728 -6.028 -0.407 1.00 0.00 C ATOM 565 CG2 VAL A 36 -18.442 -4.543 -2.283 1.00 0.00 C ATOM 0 H VAL A 36 -16.375 -2.860 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.747 -3.335 0.062 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.430 -5.237 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.007 -6.904 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -16.907 -6.286 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.584 -5.696 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.724 -5.419 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -19.297 -4.210 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.130 -3.743 -2.955 1.00 0.00 H new ATOM 575 N PRO A 37 -15.901 -3.730 1.680 1.00 0.00 N ATOM 576 CA PRO A 37 -14.876 -3.997 2.710 1.00 0.00 C ATOM 577 C PRO A 37 -14.949 -5.455 3.180 1.00 0.00 C ATOM 578 O PRO A 37 -15.844 -6.181 2.797 1.00 0.00 O ATOM 579 CB PRO A 37 -15.275 -3.058 3.851 1.00 0.00 C ATOM 580 CG PRO A 37 -16.781 -2.756 3.668 1.00 0.00 C ATOM 581 CD PRO A 37 -17.125 -3.089 2.206 1.00 0.00 C ATOM 0 HA PRO A 37 -13.859 -3.838 2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -15.088 -3.523 4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.689 -2.139 3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -17.382 -3.355 4.353 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -16.995 -1.710 3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.983 -3.758 2.142 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -17.378 -2.191 1.642 1.00 0.00 H new ATOM 589 N PRO A 38 -14.020 -5.828 4.027 1.00 0.00 N ATOM 590 CA PRO A 38 -12.934 -4.943 4.491 1.00 0.00 C ATOM 591 C PRO A 38 -11.778 -4.965 3.484 1.00 0.00 C ATOM 592 O PRO A 38 -11.966 -5.270 2.327 1.00 0.00 O ATOM 593 CB PRO A 38 -12.507 -5.582 5.816 1.00 0.00 C ATOM 594 CG PRO A 38 -12.936 -7.069 5.745 1.00 0.00 C ATOM 595 CD PRO A 38 -13.991 -7.175 4.627 1.00 0.00 C ATOM 0 HA PRO A 38 -13.234 -3.901 4.598 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.430 -5.495 5.959 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.982 -5.081 6.659 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.080 -7.709 5.530 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.349 -7.398 6.699 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.718 -7.932 3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.966 -7.455 5.025 1.00 0.00 H new ATOM 603 N HIS A 39 -10.582 -4.654 3.912 1.00 0.00 N ATOM 604 CA HIS A 39 -9.428 -4.676 2.966 1.00 0.00 C ATOM 605 C HIS A 39 -8.118 -4.763 3.752 1.00 0.00 C ATOM 606 O HIS A 39 -7.977 -4.180 4.809 1.00 0.00 O ATOM 607 CB HIS A 39 -9.432 -3.404 2.117 1.00 0.00 C ATOM 608 CG HIS A 39 -10.533 -3.492 1.101 1.00 0.00 C ATOM 609 ND1 HIS A 39 -11.809 -2.988 1.095 1.00 0.00 N flip ATOM 610 CD2 HIS A 39 -10.386 -4.186 -0.099 1.00 0.00 C flip ATOM 611 CE1 HIS A 39 -12.443 -3.363 -0.077 1.00 0.00 C flip ATOM 612 NE2 HIS A 39 -11.555 -4.076 -0.762 1.00 0.00 N flip ATOM 0 H HIS A 39 -10.356 -4.387 4.870 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.516 -5.545 2.314 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.576 -2.529 2.752 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.470 -3.282 1.619 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -12.225 -2.426 1.837 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.504 -4.712 -0.434 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.454 -3.125 -0.374 1.00 0.00 H new ATOM 620 N ASN A 40 -7.156 -5.485 3.242 1.00 0.00 N ATOM 621 CA ASN A 40 -5.856 -5.604 3.958 1.00 0.00 C ATOM 622 C ASN A 40 -4.764 -4.925 3.133 1.00 0.00 C ATOM 623 O ASN A 40 -4.804 -4.916 1.919 1.00 0.00 O ATOM 624 CB ASN A 40 -5.505 -7.081 4.148 1.00 0.00 C ATOM 625 CG ASN A 40 -4.269 -7.197 5.041 1.00 0.00 C ATOM 626 OD1 ASN A 40 -3.667 -6.203 5.395 1.00 0.00 O ATOM 627 ND2 ASN A 40 -3.862 -8.376 5.421 1.00 0.00 N ATOM 0 H ASN A 40 -7.216 -5.996 2.361 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.933 -5.124 4.934 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.344 -7.611 4.599 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.315 -7.548 3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.038 -8.464 6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.368 -9.210 5.124 1.00 0.00 H new ATOM 634 N VAL A 41 -3.789 -4.354 3.782 1.00 0.00 N ATOM 635 CA VAL A 41 -2.695 -3.674 3.038 1.00 0.00 C ATOM 636 C VAL A 41 -1.347 -4.193 3.541 1.00 0.00 C ATOM 637 O VAL A 41 -1.009 -4.051 4.699 1.00 0.00 O ATOM 638 CB VAL A 41 -2.795 -2.162 3.270 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.474 -1.486 2.898 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.916 -1.588 2.401 1.00 0.00 C ATOM 0 H VAL A 41 -3.703 -4.329 4.798 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.783 -3.881 1.971 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.009 -1.977 4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.555 -0.412 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.672 -1.891 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.253 -1.673 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.989 -0.513 2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.698 -1.781 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.861 -2.060 2.668 1.00 0.00 H new ATOM 650 N VAL A 42 -0.577 -4.798 2.680 1.00 0.00 N ATOM 651 CA VAL A 42 0.746 -5.329 3.112 1.00 0.00 C ATOM 652 C VAL A 42 1.697 -5.363 1.911 1.00 0.00 C ATOM 653 O VAL A 42 1.316 -5.059 0.799 1.00 0.00 O ATOM 654 CB VAL A 42 0.574 -6.741 3.686 1.00 0.00 C ATOM 655 CG1 VAL A 42 0.432 -6.652 5.206 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.683 -7.396 3.102 1.00 0.00 C ATOM 0 H VAL A 42 -0.806 -4.948 1.697 1.00 0.00 H new ATOM 0 HA VAL A 42 1.165 -4.683 3.883 1.00 0.00 H new ATOM 0 HB VAL A 42 1.446 -7.341 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.309 -7.653 5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.325 -6.192 5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.440 -6.047 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.797 -8.398 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.557 -6.797 3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.590 -7.459 2.018 1.00 0.00 H new ATOM 666 N PHE A 43 2.935 -5.721 2.128 1.00 0.00 N ATOM 667 CA PHE A 43 3.906 -5.760 0.997 1.00 0.00 C ATOM 668 C PHE A 43 4.636 -7.106 0.995 1.00 0.00 C ATOM 669 O PHE A 43 5.078 -7.584 2.021 1.00 0.00 O ATOM 670 CB PHE A 43 4.937 -4.630 1.149 1.00 0.00 C ATOM 671 CG PHE A 43 4.288 -3.383 1.707 1.00 0.00 C ATOM 672 CD1 PHE A 43 3.756 -3.386 3.001 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.242 -2.216 0.935 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.173 -2.226 3.520 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.664 -1.053 1.459 1.00 0.00 C ATOM 676 CZ PHE A 43 3.129 -1.061 2.751 1.00 0.00 C ATOM 0 H PHE A 43 3.314 -5.987 3.037 1.00 0.00 H new ATOM 0 HA PHE A 43 3.363 -5.631 0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.742 -4.953 1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.387 -4.409 0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.796 -4.284 3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.652 -2.213 -0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.756 -2.231 4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.631 -0.151 0.866 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.681 -0.165 3.155 1.00 0.00 H new ATOM 686 N ASP A 44 4.772 -7.718 -0.151 1.00 0.00 N ATOM 687 CA ASP A 44 5.480 -9.029 -0.217 1.00 0.00 C ATOM 688 C ASP A 44 6.913 -8.858 0.294 1.00 0.00 C ATOM 689 O ASP A 44 7.624 -7.963 -0.116 1.00 0.00 O ATOM 690 CB ASP A 44 5.509 -9.520 -1.667 1.00 0.00 C ATOM 691 CG ASP A 44 5.599 -11.046 -1.687 1.00 0.00 C ATOM 692 OD1 ASP A 44 6.707 -11.556 -1.650 1.00 0.00 O ATOM 693 OD2 ASP A 44 4.558 -11.681 -1.738 1.00 0.00 O ATOM 0 H ASP A 44 4.424 -7.367 -1.043 1.00 0.00 H new ATOM 0 HA ASP A 44 4.957 -9.758 0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.612 -9.191 -2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.361 -9.088 -2.191 1.00 0.00 H new ATOM 698 N ALA A 45 7.341 -9.707 1.190 1.00 0.00 N ATOM 699 CA ALA A 45 8.723 -9.587 1.728 1.00 0.00 C ATOM 700 C ALA A 45 9.717 -10.236 0.761 1.00 0.00 C ATOM 701 O ALA A 45 10.903 -10.286 1.019 1.00 0.00 O ATOM 702 CB ALA A 45 8.804 -10.288 3.086 1.00 0.00 C ATOM 0 H ALA A 45 6.792 -10.477 1.571 1.00 0.00 H new ATOM 0 HA ALA A 45 8.971 -8.532 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.816 -10.201 3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.103 -9.822 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.551 -11.341 2.967 1.00 0.00 H new ATOM 708 N ALA A 46 9.245 -10.734 -0.349 1.00 0.00 N ATOM 709 CA ALA A 46 10.169 -11.378 -1.326 1.00 0.00 C ATOM 710 C ALA A 46 10.414 -10.431 -2.502 1.00 0.00 C ATOM 711 O ALA A 46 11.056 -10.784 -3.472 1.00 0.00 O ATOM 712 CB ALA A 46 9.545 -12.678 -1.839 1.00 0.00 C ATOM 0 H ALA A 46 8.262 -10.723 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 46 11.117 -11.598 -0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.221 -13.149 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.373 -13.354 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.596 -12.458 -2.328 1.00 0.00 H new ATOM 718 N LEU A 47 9.910 -9.229 -2.427 1.00 0.00 N ATOM 719 CA LEU A 47 10.116 -8.265 -3.544 1.00 0.00 C ATOM 720 C LEU A 47 10.599 -6.924 -2.985 1.00 0.00 C ATOM 721 O LEU A 47 9.992 -5.895 -3.205 1.00 0.00 O ATOM 722 CB LEU A 47 8.795 -8.062 -4.289 1.00 0.00 C ATOM 723 CG LEU A 47 8.756 -8.969 -5.520 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.373 -10.390 -5.098 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.719 -8.435 -6.510 1.00 0.00 C ATOM 0 H LEU A 47 9.365 -8.874 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 47 10.865 -8.660 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.956 -8.289 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.692 -7.019 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 47 9.738 -8.984 -5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.346 -11.035 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.110 -10.771 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.390 -10.377 -4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.689 -9.080 -7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.737 -8.421 -6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.991 -7.423 -6.811 1.00 0.00 H new ATOM 737 N ASN A 48 11.689 -6.926 -2.268 1.00 0.00 N ATOM 738 CA ASN A 48 12.211 -5.650 -1.702 1.00 0.00 C ATOM 739 C ASN A 48 13.561 -5.324 -2.350 1.00 0.00 C ATOM 740 O ASN A 48 14.238 -6.205 -2.841 1.00 0.00 O ATOM 741 CB ASN A 48 12.391 -5.791 -0.189 1.00 0.00 C ATOM 742 CG ASN A 48 12.767 -7.233 0.152 1.00 0.00 C ATOM 743 OD1 ASN A 48 13.316 -7.940 -0.668 1.00 0.00 O ATOM 744 ND2 ASN A 48 12.495 -7.702 1.339 1.00 0.00 N ATOM 0 H ASN A 48 12.241 -7.756 -2.050 1.00 0.00 H new ATOM 0 HA ASN A 48 11.503 -4.847 -1.905 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.167 -5.110 0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.470 -5.514 0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.744 -8.662 1.577 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.034 -7.108 2.028 1.00 0.00 H new ATOM 751 N PRO A 49 13.905 -4.061 -2.339 1.00 0.00 N ATOM 752 CA PRO A 49 15.166 -3.575 -2.926 1.00 0.00 C ATOM 753 C PRO A 49 16.343 -3.828 -1.979 1.00 0.00 C ATOM 754 O PRO A 49 17.421 -4.198 -2.401 1.00 0.00 O ATOM 755 CB PRO A 49 14.922 -2.074 -3.102 1.00 0.00 C ATOM 756 CG PRO A 49 13.799 -1.693 -2.106 1.00 0.00 C ATOM 757 CD PRO A 49 13.070 -3.000 -1.740 1.00 0.00 C ATOM 0 HA PRO A 49 15.421 -4.077 -3.859 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.830 -1.507 -2.899 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.626 -1.846 -4.126 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.215 -1.220 -1.217 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.110 -0.978 -2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.987 -3.121 -0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.057 -3.017 -2.141 1.00 0.00 H new ATOM 765 N ALA A 50 16.152 -3.626 -0.703 1.00 0.00 N ATOM 766 CA ALA A 50 17.271 -3.852 0.256 1.00 0.00 C ATOM 767 C ALA A 50 17.023 -5.135 1.047 1.00 0.00 C ATOM 768 O ALA A 50 17.462 -5.272 2.171 1.00 0.00 O ATOM 769 CB ALA A 50 17.371 -2.666 1.217 1.00 0.00 C ATOM 0 H ALA A 50 15.275 -3.316 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 50 18.205 -3.948 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 50 18.189 -2.833 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 50 17.558 -1.754 0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 50 16.436 -2.565 1.769 1.00 0.00 H new ATOM 775 N LYS A 51 16.330 -6.070 0.453 1.00 0.00 N ATOM 776 CA LYS A 51 16.037 -7.369 1.137 1.00 0.00 C ATOM 777 C LYS A 51 15.890 -7.154 2.646 1.00 0.00 C ATOM 778 O LYS A 51 16.441 -7.888 3.443 1.00 0.00 O ATOM 779 CB LYS A 51 17.179 -8.354 0.872 1.00 0.00 C ATOM 780 CG LYS A 51 18.514 -7.605 0.848 1.00 0.00 C ATOM 781 CD LYS A 51 19.624 -8.547 0.371 1.00 0.00 C ATOM 782 CE LYS A 51 19.514 -9.886 1.102 1.00 0.00 C ATOM 783 NZ LYS A 51 18.646 -10.807 0.316 1.00 0.00 N ATOM 0 H LYS A 51 15.948 -5.990 -0.490 1.00 0.00 H new ATOM 0 HA LYS A 51 15.103 -7.772 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.196 -9.122 1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 51 17.020 -8.863 -0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 51 18.446 -6.742 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 51 18.748 -7.226 1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.545 -8.702 -0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.600 -8.099 0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.503 -10.324 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.097 -9.736 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.784 -11.018 0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.387 -10.356 -0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.160 -11.691 0.126 1.00 0.00 H new ATOM 797 N SER A 52 15.158 -6.151 3.046 1.00 0.00 N ATOM 798 CA SER A 52 14.986 -5.889 4.503 1.00 0.00 C ATOM 799 C SER A 52 13.633 -6.429 4.970 1.00 0.00 C ATOM 800 O SER A 52 12.592 -5.919 4.607 1.00 0.00 O ATOM 801 CB SER A 52 15.045 -4.383 4.757 1.00 0.00 C ATOM 802 OG SER A 52 16.402 -3.985 4.907 1.00 0.00 O ATOM 0 H SER A 52 14.672 -5.502 2.428 1.00 0.00 H new ATOM 0 HA SER A 52 15.783 -6.387 5.055 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.585 -3.844 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.479 -4.131 5.654 1.00 0.00 H new ATOM 0 HG SER A 52 16.922 -4.298 4.137 1.00 0.00 H new ATOM 808 N ALA A 53 13.638 -7.453 5.780 1.00 0.00 N ATOM 809 CA ALA A 53 12.349 -8.015 6.274 1.00 0.00 C ATOM 810 C ALA A 53 11.721 -7.028 7.259 1.00 0.00 C ATOM 811 O ALA A 53 10.518 -6.966 7.412 1.00 0.00 O ATOM 812 CB ALA A 53 12.607 -9.349 6.977 1.00 0.00 C ATOM 0 H ALA A 53 14.477 -7.923 6.120 1.00 0.00 H new ATOM 0 HA ALA A 53 11.672 -8.178 5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.663 -9.759 7.338 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.062 -10.048 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.280 -9.192 7.820 1.00 0.00 H new ATOM 818 N ASP A 54 12.532 -6.253 7.927 1.00 0.00 N ATOM 819 CA ASP A 54 11.991 -5.265 8.900 1.00 0.00 C ATOM 820 C ASP A 54 11.232 -4.171 8.146 1.00 0.00 C ATOM 821 O ASP A 54 10.366 -3.514 8.689 1.00 0.00 O ATOM 822 CB ASP A 54 13.149 -4.635 9.680 1.00 0.00 C ATOM 823 CG ASP A 54 12.726 -4.406 11.132 1.00 0.00 C ATOM 824 OD1 ASP A 54 12.044 -5.261 11.672 1.00 0.00 O ATOM 825 OD2 ASP A 54 13.092 -3.379 11.680 1.00 0.00 O ATOM 0 H ASP A 54 13.548 -6.263 7.840 1.00 0.00 H new ATOM 0 HA ASP A 54 11.314 -5.767 9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.022 -5.286 9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.438 -3.689 9.221 1.00 0.00 H new ATOM 830 N LEU A 55 11.552 -3.970 6.896 1.00 0.00 N ATOM 831 CA LEU A 55 10.852 -2.919 6.104 1.00 0.00 C ATOM 832 C LEU A 55 9.342 -3.175 6.135 1.00 0.00 C ATOM 833 O LEU A 55 8.575 -2.359 6.606 1.00 0.00 O ATOM 834 CB LEU A 55 11.356 -2.958 4.656 1.00 0.00 C ATOM 835 CG LEU A 55 10.390 -2.194 3.746 1.00 0.00 C ATOM 836 CD1 LEU A 55 10.307 -0.734 4.195 1.00 0.00 C ATOM 837 CD2 LEU A 55 10.897 -2.253 2.303 1.00 0.00 C ATOM 0 H LEU A 55 12.269 -4.489 6.389 1.00 0.00 H new ATOM 0 HA LEU A 55 11.057 -1.938 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.351 -2.517 4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.445 -3.991 4.321 1.00 0.00 H new ATOM 0 HG LEU A 55 9.401 -2.648 3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.619 -0.192 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.947 -0.689 5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.296 -0.279 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.211 -1.710 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.886 -1.799 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.956 -3.292 1.980 1.00 0.00 H new ATOM 849 N ALA A 56 8.911 -4.301 5.635 1.00 0.00 N ATOM 850 CA ALA A 56 7.452 -4.605 5.635 1.00 0.00 C ATOM 851 C ALA A 56 6.963 -4.780 7.074 1.00 0.00 C ATOM 852 O ALA A 56 5.797 -4.607 7.369 1.00 0.00 O ATOM 853 CB ALA A 56 7.200 -5.894 4.850 1.00 0.00 C ATOM 0 H ALA A 56 9.505 -5.023 5.227 1.00 0.00 H new ATOM 0 HA ALA A 56 6.911 -3.782 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.133 -6.117 4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.545 -5.768 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.742 -6.716 5.317 1.00 0.00 H new ATOM 859 N LYS A 57 7.845 -5.123 7.972 1.00 0.00 N ATOM 860 CA LYS A 57 7.428 -5.310 9.391 1.00 0.00 C ATOM 861 C LYS A 57 6.531 -4.146 9.818 1.00 0.00 C ATOM 862 O LYS A 57 5.366 -4.324 10.116 1.00 0.00 O ATOM 863 CB LYS A 57 8.669 -5.356 10.285 1.00 0.00 C ATOM 864 CG LYS A 57 8.777 -6.734 10.939 1.00 0.00 C ATOM 865 CD LYS A 57 7.782 -6.827 12.096 1.00 0.00 C ATOM 866 CE LYS A 57 8.308 -6.024 13.286 1.00 0.00 C ATOM 867 NZ LYS A 57 7.343 -4.938 13.617 1.00 0.00 N ATOM 0 H LYS A 57 8.835 -5.282 7.785 1.00 0.00 H new ATOM 0 HA LYS A 57 6.877 -6.245 9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.563 -5.151 9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.607 -4.582 11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.572 -7.514 10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.791 -6.897 11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.810 -6.443 11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.637 -7.869 12.382 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.446 -6.678 14.147 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.283 -5.599 13.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.700 -4.391 14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.233 -4.309 12.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.422 -5.355 13.860 1.00 0.00 H new ATOM 881 N SER A 58 7.064 -2.955 9.851 1.00 0.00 N ATOM 882 CA SER A 58 6.243 -1.779 10.260 1.00 0.00 C ATOM 883 C SER A 58 5.422 -1.288 9.066 1.00 0.00 C ATOM 884 O SER A 58 4.404 -0.642 9.223 1.00 0.00 O ATOM 885 CB SER A 58 7.165 -0.657 10.738 1.00 0.00 C ATOM 886 OG SER A 58 8.480 -1.169 10.908 1.00 0.00 O ATOM 0 H SER A 58 8.033 -2.745 9.612 1.00 0.00 H new ATOM 0 HA SER A 58 5.571 -2.069 11.068 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.171 0.158 10.014 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.798 -0.245 11.678 1.00 0.00 H new ATOM 0 HG SER A 58 9.074 -0.451 11.213 1.00 0.00 H new ATOM 892 N LEU A 59 5.857 -1.587 7.873 1.00 0.00 N ATOM 893 CA LEU A 59 5.103 -1.137 6.668 1.00 0.00 C ATOM 894 C LEU A 59 3.821 -1.957 6.533 1.00 0.00 C ATOM 895 O LEU A 59 2.730 -1.424 6.499 1.00 0.00 O ATOM 896 CB LEU A 59 5.966 -1.348 5.423 1.00 0.00 C ATOM 897 CG LEU A 59 5.625 -0.300 4.365 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.316 1.020 4.711 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.114 -0.788 3.000 1.00 0.00 C ATOM 0 H LEU A 59 6.703 -2.124 7.680 1.00 0.00 H new ATOM 0 HA LEU A 59 4.853 -0.081 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.021 -1.280 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.801 -2.348 5.022 1.00 0.00 H new ATOM 0 HG LEU A 59 4.546 -0.146 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.072 1.767 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.974 1.365 5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.395 0.870 4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.874 -0.044 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.193 -0.938 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.624 -1.730 2.753 1.00 0.00 H new ATOM 911 N SER A 60 3.946 -3.253 6.439 1.00 0.00 N ATOM 912 CA SER A 60 2.739 -4.112 6.286 1.00 0.00 C ATOM 913 C SER A 60 2.066 -4.316 7.644 1.00 0.00 C ATOM 914 O SER A 60 2.708 -4.617 8.630 1.00 0.00 O ATOM 915 CB SER A 60 3.156 -5.469 5.720 1.00 0.00 C ATOM 916 OG SER A 60 4.548 -5.449 5.432 1.00 0.00 O ATOM 0 H SER A 60 4.834 -3.754 6.462 1.00 0.00 H new ATOM 0 HA SER A 60 2.037 -3.627 5.608 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.932 -6.259 6.437 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.589 -5.689 4.816 1.00 0.00 H new ATOM 0 HG SER A 60 5.055 -5.570 6.262 1.00 0.00 H new ATOM 922 N HIS A 61 0.770 -4.162 7.697 1.00 0.00 N ATOM 923 CA HIS A 61 0.046 -4.354 8.984 1.00 0.00 C ATOM 924 C HIS A 61 -0.740 -5.666 8.921 1.00 0.00 C ATOM 925 O HIS A 61 -1.165 -6.094 7.866 1.00 0.00 O ATOM 926 CB HIS A 61 -0.919 -3.187 9.206 1.00 0.00 C ATOM 927 CG HIS A 61 -2.061 -3.286 8.232 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.013 -4.294 8.312 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.413 -2.515 7.153 1.00 0.00 C ATOM 930 CE1 HIS A 61 -3.885 -4.099 7.303 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.562 -3.031 6.572 1.00 0.00 N ATOM 0 H HIS A 61 0.182 -3.911 6.902 1.00 0.00 H new ATOM 0 HA HIS A 61 0.759 -4.391 9.808 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.297 -3.204 10.228 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.396 -2.239 9.075 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.046 -5.042 9.005 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.878 -1.642 6.809 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.740 -4.730 7.110 1.00 0.00 H new ATOM 939 N LYS A 62 -0.934 -6.312 10.037 1.00 0.00 N ATOM 940 CA LYS A 62 -1.690 -7.598 10.027 1.00 0.00 C ATOM 941 C LYS A 62 -3.132 -7.344 10.462 1.00 0.00 C ATOM 942 O LYS A 62 -3.491 -6.250 10.849 1.00 0.00 O ATOM 943 CB LYS A 62 -1.047 -8.609 10.989 1.00 0.00 C ATOM 944 CG LYS A 62 0.281 -8.067 11.528 1.00 0.00 C ATOM 945 CD LYS A 62 1.040 -9.190 12.239 1.00 0.00 C ATOM 946 CE LYS A 62 2.545 -8.947 12.115 1.00 0.00 C ATOM 947 NZ LYS A 62 3.050 -8.319 13.368 1.00 0.00 N ATOM 0 H LYS A 62 -0.604 -6.008 10.953 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.669 -8.006 9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.726 -8.814 11.817 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.878 -9.554 10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.882 -7.668 10.711 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.097 -7.244 12.219 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.753 -9.229 13.290 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.779 -10.154 11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.063 -9.889 11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.751 -8.300 11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.073 -8.153 13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.564 -7.413 13.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.866 -8.952 14.172 1.00 0.00 H new ATOM 961 N GLN A 63 -3.962 -8.348 10.403 1.00 0.00 N ATOM 962 CA GLN A 63 -5.380 -8.165 10.815 1.00 0.00 C ATOM 963 C GLN A 63 -6.100 -7.291 9.786 1.00 0.00 C ATOM 964 O GLN A 63 -5.659 -6.207 9.461 1.00 0.00 O ATOM 965 CB GLN A 63 -5.429 -7.483 12.184 1.00 0.00 C ATOM 966 CG GLN A 63 -6.664 -7.963 12.947 1.00 0.00 C ATOM 967 CD GLN A 63 -7.568 -6.770 13.256 1.00 0.00 C ATOM 968 OE1 GLN A 63 -8.697 -6.718 12.810 1.00 0.00 O ATOM 969 NE2 GLN A 63 -7.116 -5.801 14.004 1.00 0.00 N ATOM 0 H GLN A 63 -3.719 -9.287 10.087 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.870 -9.137 10.875 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.526 -7.713 12.750 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.461 -6.400 12.062 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.206 -8.700 12.355 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.364 -8.455 13.872 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.168 -5.845 14.378 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.711 -4.999 14.215 1.00 0.00 H new ATOM 978 N LEU A 64 -7.205 -7.755 9.270 1.00 0.00 N ATOM 979 CA LEU A 64 -7.951 -6.951 8.261 1.00 0.00 C ATOM 980 C LEU A 64 -8.592 -5.740 8.944 1.00 0.00 C ATOM 981 O LEU A 64 -8.712 -5.687 10.152 1.00 0.00 O ATOM 982 CB LEU A 64 -9.044 -7.814 7.626 1.00 0.00 C ATOM 983 CG LEU A 64 -8.441 -8.665 6.508 1.00 0.00 C ATOM 984 CD1 LEU A 64 -7.889 -9.964 7.097 1.00 0.00 C ATOM 985 CD2 LEU A 64 -9.526 -8.994 5.482 1.00 0.00 C ATOM 0 H LEU A 64 -7.623 -8.656 9.503 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.261 -6.610 7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.499 -8.456 8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.836 -7.180 7.227 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.634 -8.114 6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.459 -10.571 6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.119 -9.732 7.832 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.696 -10.517 7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.099 -9.601 4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.330 -9.547 5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.923 -8.069 5.063 1.00 0.00 H new ATOM 997 N LEU A 65 -9.006 -4.768 8.179 1.00 0.00 N ATOM 998 CA LEU A 65 -9.641 -3.563 8.783 1.00 0.00 C ATOM 999 C LEU A 65 -11.121 -3.852 9.040 1.00 0.00 C ATOM 1000 O LEU A 65 -11.692 -4.762 8.473 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.506 -2.376 7.822 1.00 0.00 C ATOM 1002 CG LEU A 65 -8.097 -2.353 7.223 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -8.124 -1.606 5.889 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -7.140 -1.641 8.182 1.00 0.00 C ATOM 0 H LEU A 65 -8.932 -4.756 7.162 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.147 -3.320 9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.248 -2.453 7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.702 -1.443 8.351 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.756 -3.376 7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.122 -1.589 5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.803 -2.112 5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.467 -0.584 6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.138 -1.627 7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.481 -0.618 8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.119 -2.171 9.135 1.00 0.00 H new ATOM 1016 N MET A 66 -11.748 -3.091 9.895 1.00 0.00 N ATOM 1017 CA MET A 66 -13.189 -3.335 10.188 1.00 0.00 C ATOM 1018 C MET A 66 -13.962 -2.016 10.123 1.00 0.00 C ATOM 1019 O MET A 66 -15.118 -1.945 10.488 1.00 0.00 O ATOM 1020 CB MET A 66 -13.328 -3.939 11.586 1.00 0.00 C ATOM 1021 CG MET A 66 -13.505 -5.454 11.471 1.00 0.00 C ATOM 1022 SD MET A 66 -15.267 -5.865 11.547 1.00 0.00 S ATOM 1023 CE MET A 66 -15.348 -6.184 13.326 1.00 0.00 C ATOM 0 H MET A 66 -11.326 -2.313 10.402 1.00 0.00 H new ATOM 0 HA MET A 66 -13.595 -4.026 9.449 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.445 -3.709 12.183 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.183 -3.500 12.100 1.00 0.00 H new ATOM 0 HG2 MET A 66 -13.078 -5.810 10.534 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.969 -5.955 12.277 1.00 0.00 H new ATOM 0 HE1 MET A 66 -16.366 -6.460 13.600 1.00 0.00 H new ATOM 0 HE2 MET A 66 -14.670 -6.998 13.581 1.00 0.00 H new ATOM 0 HE3 MET A 66 -15.057 -5.286 13.870 1.00 0.00 H new ATOM 1033 N SER A 67 -13.335 -0.971 9.660 1.00 0.00 N ATOM 1034 CA SER A 67 -14.040 0.339 9.572 1.00 0.00 C ATOM 1035 C SER A 67 -13.961 0.857 8.130 1.00 0.00 C ATOM 1036 O SER A 67 -12.932 0.747 7.494 1.00 0.00 O ATOM 1037 CB SER A 67 -13.370 1.339 10.515 1.00 0.00 C ATOM 1038 OG SER A 67 -14.208 2.477 10.667 1.00 0.00 O ATOM 0 H SER A 67 -12.367 -0.967 9.339 1.00 0.00 H new ATOM 0 HA SER A 67 -15.085 0.217 9.859 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.187 0.876 11.485 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.400 1.638 10.117 1.00 0.00 H new ATOM 0 HG SER A 67 -14.321 2.675 11.620 1.00 0.00 H new ATOM 1044 N PRO A 68 -15.056 1.395 7.652 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.144 1.929 6.280 1.00 0.00 C ATOM 1046 C PRO A 68 -14.507 3.319 6.191 1.00 0.00 C ATOM 1047 O PRO A 68 -15.069 4.298 6.640 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.652 2.004 6.024 1.00 0.00 C ATOM 1049 CG PRO A 68 -17.330 2.067 7.414 1.00 0.00 C ATOM 1050 CD PRO A 68 -16.306 1.524 8.430 1.00 0.00 C ATOM 0 HA PRO A 68 -14.617 1.314 5.551 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.902 2.883 5.430 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.994 1.134 5.464 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.614 3.090 7.660 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.242 1.471 7.427 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -16.182 2.204 9.273 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.621 0.564 8.839 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.342 3.417 5.606 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.684 4.749 5.483 1.00 0.00 C ATOM 1060 C GLY A 69 -11.750 4.978 6.671 1.00 0.00 C ATOM 1061 O GLY A 69 -11.655 6.070 7.198 1.00 0.00 O ATOM 0 H GLY A 69 -12.820 2.635 5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.121 4.802 4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.438 5.535 5.445 1.00 0.00 H new ATOM 1065 N GLN A 70 -11.058 3.960 7.097 1.00 0.00 N ATOM 1066 CA GLN A 70 -10.127 4.119 8.247 1.00 0.00 C ATOM 1067 C GLN A 70 -9.007 3.085 8.133 1.00 0.00 C ATOM 1068 O GLN A 70 -9.049 2.039 8.750 1.00 0.00 O ATOM 1069 CB GLN A 70 -10.889 3.904 9.556 1.00 0.00 C ATOM 1070 CG GLN A 70 -11.509 5.225 10.014 1.00 0.00 C ATOM 1071 CD GLN A 70 -11.572 5.256 11.542 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -10.611 5.615 12.194 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -12.670 4.892 12.146 1.00 0.00 N ATOM 0 H GLN A 70 -11.097 3.022 6.697 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.702 5.123 8.238 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.668 3.155 9.416 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.214 3.523 10.322 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.917 6.063 9.647 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.510 5.334 9.596 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.477 4.591 11.600 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.721 4.909 13.165 1.00 0.00 H new ATOM 1082 N SER A 71 -8.006 3.364 7.345 1.00 0.00 N ATOM 1083 CA SER A 71 -6.892 2.391 7.193 1.00 0.00 C ATOM 1084 C SER A 71 -5.722 2.813 8.083 1.00 0.00 C ATOM 1085 O SER A 71 -5.839 3.708 8.897 1.00 0.00 O ATOM 1086 CB SER A 71 -6.409 2.385 5.754 1.00 0.00 C ATOM 1087 OG SER A 71 -6.394 3.718 5.259 1.00 0.00 O ATOM 0 H SER A 71 -7.913 4.222 6.801 1.00 0.00 H new ATOM 0 HA SER A 71 -7.249 1.401 7.475 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.411 1.951 5.695 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.063 1.764 5.141 1.00 0.00 H new ATOM 0 HG SER A 71 -5.467 4.013 5.142 1.00 0.00 H new ATOM 1093 N THR A 72 -4.585 2.196 7.912 1.00 0.00 N ATOM 1094 CA THR A 72 -3.398 2.583 8.720 1.00 0.00 C ATOM 1095 C THR A 72 -2.474 3.432 7.841 1.00 0.00 C ATOM 1096 O THR A 72 -2.087 3.026 6.763 1.00 0.00 O ATOM 1097 CB THR A 72 -2.662 1.323 9.199 1.00 0.00 C ATOM 1098 OG1 THR A 72 -1.829 1.656 10.300 1.00 0.00 O ATOM 1099 CG2 THR A 72 -1.807 0.747 8.066 1.00 0.00 C ATOM 0 H THR A 72 -4.428 1.439 7.246 1.00 0.00 H new ATOM 0 HA THR A 72 -3.707 3.155 9.595 1.00 0.00 H new ATOM 0 HB THR A 72 -3.395 0.576 9.503 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.359 0.853 10.609 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.290 -0.146 8.418 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.447 0.487 7.223 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.074 1.489 7.750 1.00 0.00 H new ATOM 1107 N SER A 73 -2.128 4.609 8.280 1.00 0.00 N ATOM 1108 CA SER A 73 -1.244 5.476 7.452 1.00 0.00 C ATOM 1109 C SER A 73 0.201 5.012 7.596 1.00 0.00 C ATOM 1110 O SER A 73 0.908 5.408 8.502 1.00 0.00 O ATOM 1111 CB SER A 73 -1.367 6.926 7.920 1.00 0.00 C ATOM 1112 OG SER A 73 -1.222 6.977 9.334 1.00 0.00 O ATOM 0 H SER A 73 -2.418 5.008 9.173 1.00 0.00 H new ATOM 0 HA SER A 73 -1.544 5.408 6.406 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.604 7.540 7.442 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.334 7.334 7.627 1.00 0.00 H new ATOM 0 HG SER A 73 -0.435 6.457 9.601 1.00 0.00 H new ATOM 1118 N THR A 74 0.647 4.172 6.705 1.00 0.00 N ATOM 1119 CA THR A 74 2.045 3.679 6.784 1.00 0.00 C ATOM 1120 C THR A 74 3.002 4.801 6.387 1.00 0.00 C ATOM 1121 O THR A 74 3.240 5.045 5.221 1.00 0.00 O ATOM 1122 CB THR A 74 2.222 2.495 5.832 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.094 1.637 5.932 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.485 1.724 6.208 1.00 0.00 C ATOM 0 H THR A 74 0.101 3.806 5.925 1.00 0.00 H new ATOM 0 HA THR A 74 2.262 3.360 7.803 1.00 0.00 H new ATOM 0 HB THR A 74 2.312 2.860 4.809 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.663 1.560 5.055 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.612 0.880 5.530 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.350 2.383 6.132 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.397 1.357 7.231 1.00 0.00 H new ATOM 1132 N THR A 75 3.560 5.482 7.348 1.00 0.00 N ATOM 1133 CA THR A 75 4.505 6.583 7.028 1.00 0.00 C ATOM 1134 C THR A 75 5.857 5.972 6.668 1.00 0.00 C ATOM 1135 O THR A 75 6.704 5.768 7.515 1.00 0.00 O ATOM 1136 CB THR A 75 4.660 7.494 8.248 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.374 7.800 8.771 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.367 8.787 7.837 1.00 0.00 C ATOM 0 H THR A 75 3.401 5.322 8.343 1.00 0.00 H new ATOM 0 HA THR A 75 4.127 7.171 6.192 1.00 0.00 H new ATOM 0 HB THR A 75 5.253 6.987 9.009 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.469 8.382 9.554 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.476 9.434 8.707 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.352 8.551 7.434 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.777 9.298 7.076 1.00 0.00 H new ATOM 1146 N PHE A 76 6.053 5.668 5.413 1.00 0.00 N ATOM 1147 CA PHE A 76 7.339 5.057 4.977 1.00 0.00 C ATOM 1148 C PHE A 76 8.501 5.734 5.712 1.00 0.00 C ATOM 1149 O PHE A 76 8.411 6.889 6.080 1.00 0.00 O ATOM 1150 CB PHE A 76 7.497 5.232 3.464 1.00 0.00 C ATOM 1151 CG PHE A 76 6.793 4.099 2.749 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.402 3.951 2.858 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.532 3.194 1.977 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.757 2.899 2.196 1.00 0.00 C ATOM 1155 CE2 PHE A 76 6.885 2.142 1.317 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.497 1.996 1.426 1.00 0.00 C ATOM 0 H PHE A 76 5.373 5.818 4.668 1.00 0.00 H new ATOM 0 HA PHE A 76 7.341 3.993 5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.078 6.189 3.152 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.554 5.244 3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.829 4.648 3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.603 3.308 1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.686 2.785 2.280 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.457 1.443 0.724 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.998 1.186 0.915 1.00 0.00 H new ATOM 1166 N PRO A 77 9.551 4.983 5.921 1.00 0.00 N ATOM 1167 CA PRO A 77 10.751 5.465 6.631 1.00 0.00 C ATOM 1168 C PRO A 77 11.617 6.347 5.730 1.00 0.00 C ATOM 1169 O PRO A 77 11.430 6.406 4.532 1.00 0.00 O ATOM 1170 CB PRO A 77 11.494 4.176 6.993 1.00 0.00 C ATOM 1171 CG PRO A 77 10.996 3.092 6.007 1.00 0.00 C ATOM 1172 CD PRO A 77 9.641 3.580 5.463 1.00 0.00 C ATOM 0 HA PRO A 77 10.504 6.079 7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.572 4.312 6.908 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.290 3.887 8.024 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.710 2.949 5.196 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.888 2.131 6.510 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.601 3.512 4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.817 2.981 5.850 1.00 0.00 H new ATOM 1180 N ALA A 78 12.576 7.022 6.306 1.00 0.00 N ATOM 1181 CA ALA A 78 13.470 7.890 5.494 1.00 0.00 C ATOM 1182 C ALA A 78 14.583 7.033 4.890 1.00 0.00 C ATOM 1183 O ALA A 78 15.493 7.533 4.259 1.00 0.00 O ATOM 1184 CB ALA A 78 14.088 8.971 6.382 1.00 0.00 C ATOM 0 H ALA A 78 12.777 7.008 7.306 1.00 0.00 H new ATOM 0 HA ALA A 78 12.894 8.365 4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.742 9.604 5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.296 9.579 6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 78 14.667 8.501 7.177 1.00 0.00 H new ATOM 1190 N ASP A 79 14.516 5.741 5.072 1.00 0.00 N ATOM 1191 CA ASP A 79 15.566 4.854 4.503 1.00 0.00 C ATOM 1192 C ASP A 79 15.052 4.242 3.200 1.00 0.00 C ATOM 1193 O ASP A 79 15.784 3.588 2.485 1.00 0.00 O ATOM 1194 CB ASP A 79 15.895 3.738 5.498 1.00 0.00 C ATOM 1195 CG ASP A 79 16.564 4.337 6.738 1.00 0.00 C ATOM 1196 OD1 ASP A 79 16.178 5.427 7.127 1.00 0.00 O ATOM 1197 OD2 ASP A 79 17.450 3.695 7.277 1.00 0.00 O ATOM 0 H ASP A 79 13.779 5.264 5.590 1.00 0.00 H new ATOM 0 HA ASP A 79 16.467 5.435 4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.985 3.210 5.782 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.556 3.006 5.034 1.00 0.00 H new ATOM 1202 N ALA A 80 13.796 4.456 2.886 1.00 0.00 N ATOM 1203 CA ALA A 80 13.223 3.898 1.625 1.00 0.00 C ATOM 1204 C ALA A 80 14.265 3.994 0.504 1.00 0.00 C ATOM 1205 O ALA A 80 14.438 5.041 -0.087 1.00 0.00 O ATOM 1206 CB ALA A 80 11.985 4.707 1.233 1.00 0.00 C ATOM 0 H ALA A 80 13.142 4.996 3.453 1.00 0.00 H new ATOM 0 HA ALA A 80 12.948 2.855 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.563 4.303 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.243 4.646 2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.265 5.749 1.077 1.00 0.00 H new ATOM 1212 N PRO A 81 14.936 2.897 0.250 1.00 0.00 N ATOM 1213 CA PRO A 81 15.978 2.831 -0.790 1.00 0.00 C ATOM 1214 C PRO A 81 15.346 2.740 -2.182 1.00 0.00 C ATOM 1215 O PRO A 81 14.348 2.076 -2.379 1.00 0.00 O ATOM 1216 CB PRO A 81 16.743 1.549 -0.452 1.00 0.00 C ATOM 1217 CG PRO A 81 15.780 0.674 0.386 1.00 0.00 C ATOM 1218 CD PRO A 81 14.719 1.625 0.971 1.00 0.00 C ATOM 0 HA PRO A 81 16.619 3.712 -0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.050 1.029 -1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.650 1.774 0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.314 -0.092 -0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.318 0.158 1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.711 1.243 0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.846 1.750 2.046 1.00 0.00 H new ATOM 1226 N ALA A 82 15.924 3.402 -3.147 1.00 0.00 N ATOM 1227 CA ALA A 82 15.361 3.354 -4.526 1.00 0.00 C ATOM 1228 C ALA A 82 14.971 1.913 -4.865 1.00 0.00 C ATOM 1229 O ALA A 82 15.732 0.989 -4.657 1.00 0.00 O ATOM 1230 CB ALA A 82 16.412 3.848 -5.523 1.00 0.00 C ATOM 0 H ALA A 82 16.762 3.974 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 82 14.479 3.992 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.001 3.813 -6.532 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.691 4.873 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.294 3.210 -5.468 1.00 0.00 H new ATOM 1236 N GLY A 83 13.789 1.716 -5.381 1.00 0.00 N ATOM 1237 CA GLY A 83 13.347 0.335 -5.730 1.00 0.00 C ATOM 1238 C GLY A 83 11.818 0.292 -5.790 1.00 0.00 C ATOM 1239 O GLY A 83 11.139 1.015 -5.088 1.00 0.00 O ATOM 0 H GLY A 83 13.110 2.451 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.768 0.038 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.713 -0.375 -4.988 1.00 0.00 H new ATOM 1243 N GLU A 84 11.269 -0.545 -6.628 1.00 0.00 N ATOM 1244 CA GLU A 84 9.784 -0.627 -6.738 1.00 0.00 C ATOM 1245 C GLU A 84 9.244 -1.658 -5.743 1.00 0.00 C ATOM 1246 O GLU A 84 9.547 -2.832 -5.825 1.00 0.00 O ATOM 1247 CB GLU A 84 9.404 -1.045 -8.159 1.00 0.00 C ATOM 1248 CG GLU A 84 7.901 -1.325 -8.228 1.00 0.00 C ATOM 1249 CD GLU A 84 7.347 -0.807 -9.556 1.00 0.00 C ATOM 1250 OE1 GLU A 84 8.128 -0.292 -10.340 1.00 0.00 O ATOM 1251 OE2 GLU A 84 6.153 -0.934 -9.768 1.00 0.00 O ATOM 0 H GLU A 84 11.785 -1.176 -7.242 1.00 0.00 H new ATOM 0 HA GLU A 84 9.352 0.348 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.670 -0.257 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.963 -1.934 -8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.715 -2.395 -8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.391 -0.841 -7.395 1.00 0.00 H new ATOM 1258 N TYR A 85 8.436 -1.230 -4.809 1.00 0.00 N ATOM 1259 CA TYR A 85 7.868 -2.185 -3.814 1.00 0.00 C ATOM 1260 C TYR A 85 6.629 -2.849 -4.415 1.00 0.00 C ATOM 1261 O TYR A 85 6.389 -2.760 -5.602 1.00 0.00 O ATOM 1262 CB TYR A 85 7.483 -1.426 -2.543 1.00 0.00 C ATOM 1263 CG TYR A 85 8.692 -0.694 -2.016 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.053 0.544 -2.561 1.00 0.00 C ATOM 1265 CD2 TYR A 85 9.455 -1.254 -0.985 1.00 0.00 C ATOM 1266 CE1 TYR A 85 10.178 1.221 -2.076 1.00 0.00 C ATOM 1267 CE2 TYR A 85 10.579 -0.577 -0.500 1.00 0.00 C ATOM 1268 CZ TYR A 85 10.941 0.660 -1.045 1.00 0.00 C ATOM 1269 OH TYR A 85 12.051 1.327 -0.567 1.00 0.00 O ATOM 0 H TYR A 85 8.145 -0.259 -4.693 1.00 0.00 H new ATOM 0 HA TYR A 85 8.607 -2.947 -3.565 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.680 -0.720 -2.756 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.107 -2.120 -1.791 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.463 0.977 -3.356 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.176 -2.209 -0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.457 2.176 -2.497 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.168 -1.009 0.296 1.00 0.00 H new ATOM 0 HH TYR A 85 12.668 1.507 -1.307 1.00 0.00 H new ATOM 1279 N THR A 86 5.837 -3.515 -3.619 1.00 0.00 N ATOM 1280 CA THR A 86 4.625 -4.172 -4.184 1.00 0.00 C ATOM 1281 C THR A 86 3.671 -4.607 -3.068 1.00 0.00 C ATOM 1282 O THR A 86 3.899 -5.588 -2.389 1.00 0.00 O ATOM 1283 CB THR A 86 5.043 -5.405 -4.989 1.00 0.00 C ATOM 1284 OG1 THR A 86 6.010 -5.030 -5.962 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.817 -5.999 -5.685 1.00 0.00 C ATOM 0 H THR A 86 5.974 -3.632 -2.615 1.00 0.00 H new ATOM 0 HA THR A 86 4.113 -3.456 -4.827 1.00 0.00 H new ATOM 0 HB THR A 86 5.474 -6.149 -4.319 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.901 -4.082 -6.183 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.114 -6.877 -6.258 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.078 -6.287 -4.937 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.384 -5.257 -6.356 1.00 0.00 H new ATOM 1293 N PHE A 87 2.586 -3.901 -2.898 1.00 0.00 N ATOM 1294 CA PHE A 87 1.599 -4.292 -1.858 1.00 0.00 C ATOM 1295 C PHE A 87 0.398 -4.934 -2.551 1.00 0.00 C ATOM 1296 O PHE A 87 0.249 -4.839 -3.753 1.00 0.00 O ATOM 1297 CB PHE A 87 1.151 -3.071 -1.052 1.00 0.00 C ATOM 1298 CG PHE A 87 1.233 -1.845 -1.916 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.466 -1.217 -2.109 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.084 -1.341 -2.527 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.552 -0.081 -2.915 1.00 0.00 C ATOM 1302 CE2 PHE A 87 0.166 -0.205 -3.334 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.401 0.429 -3.530 1.00 0.00 C ATOM 0 H PHE A 87 2.343 -3.070 -3.436 1.00 0.00 H new ATOM 0 HA PHE A 87 2.057 -4.999 -1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.130 -3.211 -0.696 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.782 -2.951 -0.171 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.353 -1.611 -1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.867 -1.829 -2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.505 0.405 -3.065 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.722 0.186 -3.808 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.465 1.308 -4.154 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.453 -5.602 -1.824 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.617 -6.253 -2.481 1.00 0.00 C ATOM 1315 C TYR A 88 -2.746 -6.479 -1.473 1.00 0.00 C ATOM 1316 O TYR A 88 -2.741 -5.946 -0.381 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.170 -7.602 -3.039 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.599 -8.428 -1.913 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.709 -8.197 -1.469 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.380 -9.416 -1.303 1.00 0.00 C ATOM 1321 CE1 TYR A 88 1.236 -8.955 -0.418 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -0.854 -10.174 -0.251 1.00 0.00 C ATOM 1323 CZ TYR A 88 0.454 -9.943 0.192 1.00 0.00 C ATOM 1324 OH TYR A 88 0.972 -10.690 1.230 1.00 0.00 O ATOM 0 H TYR A 88 -0.393 -5.724 -0.813 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.984 -5.608 -3.280 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.013 -8.119 -3.497 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.422 -7.459 -3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.311 -7.433 -1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.389 -9.594 -1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.246 -8.778 -0.077 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.457 -10.937 0.219 1.00 0.00 H new ATOM 0 HH TYR A 88 0.298 -11.330 1.540 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.713 -7.276 -1.841 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.853 -7.560 -0.926 1.00 0.00 C ATOM 1336 C CYS A 89 -5.067 -9.075 -0.847 1.00 0.00 C ATOM 1337 O CYS A 89 -5.199 -9.746 -1.851 1.00 0.00 O ATOM 1338 CB CYS A 89 -6.116 -6.892 -1.471 1.00 0.00 C ATOM 1339 SG CYS A 89 -7.107 -6.247 -0.101 1.00 0.00 S ATOM 0 H CYS A 89 -3.761 -7.746 -2.745 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.637 -7.169 0.068 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.847 -6.083 -2.150 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.699 -7.611 -2.047 1.00 0.00 H new ATOM 0 HG CYS A 89 -6.350 -5.547 0.691 1.00 0.00 H new ATOM 1344 N GLU A 90 -5.094 -9.618 0.339 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.288 -11.089 0.492 1.00 0.00 C ATOM 1346 C GLU A 90 -6.704 -11.519 0.067 1.00 0.00 C ATOM 1347 O GLU A 90 -6.857 -12.531 -0.589 1.00 0.00 O ATOM 1348 CB GLU A 90 -5.065 -11.480 1.954 1.00 0.00 C ATOM 1349 CG GLU A 90 -4.848 -12.991 2.050 1.00 0.00 C ATOM 1350 CD GLU A 90 -3.365 -13.307 1.856 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -2.553 -12.671 2.508 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -3.065 -14.180 1.057 1.00 0.00 O ATOM 0 H GLU A 90 -4.990 -9.104 1.214 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.568 -11.593 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.200 -10.951 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.925 -11.186 2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.185 -13.356 3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.442 -13.503 1.293 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.704 -10.765 0.465 1.00 0.00 N ATOM 1360 CA PRO A 91 -9.106 -11.093 0.143 1.00 0.00 C ATOM 1361 C PRO A 91 -9.437 -10.743 -1.311 1.00 0.00 C ATOM 1362 O PRO A 91 -9.915 -11.572 -2.060 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.912 -10.234 1.122 1.00 0.00 C ATOM 1364 CG PRO A 91 -8.986 -9.072 1.549 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.544 -9.526 1.257 1.00 0.00 C ATOM 0 HA PRO A 91 -9.325 -12.156 0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.818 -9.855 0.650 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.224 -10.820 1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.225 -8.163 0.996 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.113 -8.844 2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.993 -8.767 0.701 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.991 -9.711 2.178 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.194 -9.528 -1.720 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.504 -9.148 -3.129 1.00 0.00 C ATOM 1375 C HIS A 92 -8.286 -9.422 -4.015 1.00 0.00 C ATOM 1376 O HIS A 92 -8.062 -8.752 -5.002 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.862 -7.660 -3.195 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.910 -7.355 -2.161 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -12.279 -7.276 -2.236 1.00 0.00 N flip ATOM 1380 CD2 HIS A 92 -10.579 -7.112 -0.833 1.00 0.00 C flip ATOM 1381 CE1 HIS A 92 -12.789 -7.003 -0.979 1.00 0.00 C flip ATOM 1382 NE2 HIS A 92 -11.737 -6.914 -0.171 1.00 0.00 N flip ATOM 0 H HIS A 92 -8.797 -8.786 -1.144 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.349 -9.738 -3.483 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.974 -7.052 -3.020 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.231 -7.407 -4.189 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -9.585 -7.087 -0.412 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -13.828 -6.886 -0.710 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -11.798 -6.720 0.828 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.498 -10.406 -3.671 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.298 -10.722 -4.497 1.00 0.00 C ATOM 1392 C ARG A 93 -6.742 -11.084 -5.915 1.00 0.00 C ATOM 1393 O ARG A 93 -7.036 -12.224 -6.214 1.00 0.00 O ATOM 1394 CB ARG A 93 -5.548 -11.905 -3.878 1.00 0.00 C ATOM 1395 CG ARG A 93 -4.147 -11.998 -4.485 1.00 0.00 C ATOM 1396 CD ARG A 93 -3.251 -12.837 -3.573 1.00 0.00 C ATOM 1397 NE ARG A 93 -1.871 -12.275 -3.575 1.00 0.00 N ATOM 1398 CZ ARG A 93 -0.966 -12.772 -4.375 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -0.906 -12.379 -5.618 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -0.120 -13.659 -3.930 1.00 0.00 N ATOM 0 H ARG A 93 -7.634 -11.003 -2.855 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.639 -9.854 -4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.480 -11.780 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.096 -12.830 -4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.198 -12.448 -5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.726 -11.000 -4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.651 -12.843 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.234 -13.872 -3.915 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.633 -11.503 -2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.566 -11.683 -5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.199 -12.768 -6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.165 -13.964 -2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.587 -14.048 -4.554 1.00 0.00 H new ATOM 1414 N GLY A 94 -6.797 -10.117 -6.790 1.00 0.00 N ATOM 1415 CA GLY A 94 -7.226 -10.398 -8.188 1.00 0.00 C ATOM 1416 C GLY A 94 -8.167 -9.288 -8.657 1.00 0.00 C ATOM 1417 O GLY A 94 -8.422 -9.133 -9.835 1.00 0.00 O ATOM 0 H GLY A 94 -6.563 -9.143 -6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.357 -10.456 -8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.729 -11.364 -8.240 1.00 0.00 H new ATOM 1421 N ALA A 95 -8.682 -8.512 -7.743 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.605 -7.411 -8.134 1.00 0.00 C ATOM 1423 C ALA A 95 -8.802 -6.129 -8.364 1.00 0.00 C ATOM 1424 O ALA A 95 -9.242 -5.042 -8.046 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.628 -7.179 -7.020 1.00 0.00 C ATOM 0 H ALA A 95 -8.503 -8.593 -6.742 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.125 -7.684 -9.052 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.303 -6.373 -7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.202 -8.091 -6.857 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.109 -6.907 -6.101 1.00 0.00 H new ATOM 1431 N GLY A 96 -7.629 -6.250 -8.920 1.00 0.00 N ATOM 1432 CA GLY A 96 -6.797 -5.040 -9.177 1.00 0.00 C ATOM 1433 C GLY A 96 -6.352 -4.419 -7.851 1.00 0.00 C ATOM 1434 O GLY A 96 -6.033 -3.249 -7.781 1.00 0.00 O ATOM 0 H GLY A 96 -7.210 -7.134 -9.208 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.925 -5.308 -9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.367 -4.313 -9.755 1.00 0.00 H new ATOM 1438 N MET A 97 -6.322 -5.190 -6.797 1.00 0.00 N ATOM 1439 CA MET A 97 -5.891 -4.633 -5.483 1.00 0.00 C ATOM 1440 C MET A 97 -4.381 -4.827 -5.322 1.00 0.00 C ATOM 1441 O MET A 97 -3.916 -5.380 -4.346 1.00 0.00 O ATOM 1442 CB MET A 97 -6.621 -5.360 -4.350 1.00 0.00 C ATOM 1443 CG MET A 97 -8.126 -5.357 -4.624 1.00 0.00 C ATOM 1444 SD MET A 97 -8.996 -4.582 -3.236 1.00 0.00 S ATOM 1445 CE MET A 97 -8.400 -2.893 -3.494 1.00 0.00 C ATOM 0 H MET A 97 -6.576 -6.178 -6.789 1.00 0.00 H new ATOM 0 HA MET A 97 -6.131 -3.571 -5.443 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.258 -6.385 -4.269 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.414 -4.872 -3.398 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.337 -4.815 -5.546 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.482 -6.377 -4.765 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.670 -2.643 -2.724 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.932 -2.818 -4.476 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.238 -2.199 -3.437 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.612 -4.377 -6.277 1.00 0.00 N ATOM 1456 CA VAL A 98 -2.132 -4.536 -6.182 1.00 0.00 C ATOM 1457 C VAL A 98 -1.451 -3.240 -6.626 1.00 0.00 C ATOM 1458 O VAL A 98 -1.590 -2.808 -7.753 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.685 -5.684 -7.090 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -0.233 -6.049 -6.778 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -2.578 -6.903 -6.847 1.00 0.00 C ATOM 0 H VAL A 98 -3.945 -3.906 -7.119 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.855 -4.758 -5.151 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.766 -5.373 -8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.084 -6.867 -7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.405 -5.182 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.152 -6.359 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.260 -7.721 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.497 -7.211 -5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.614 -6.646 -7.070 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.714 -2.615 -5.748 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.026 -1.351 -6.119 1.00 0.00 C ATOM 1473 C GLY A 99 1.463 -1.456 -5.786 1.00 0.00 C ATOM 1474 O GLY A 99 1.907 -2.406 -5.172 1.00 0.00 O ATOM 0 H GLY A 99 -0.560 -2.928 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.157 -1.153 -7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.470 -0.513 -5.582 1.00 0.00 H new ATOM 1478 N LYS A 100 2.239 -0.487 -6.188 1.00 0.00 N ATOM 1479 CA LYS A 100 3.700 -0.531 -5.896 1.00 0.00 C ATOM 1480 C LYS A 100 4.220 0.888 -5.658 1.00 0.00 C ATOM 1481 O LYS A 100 3.896 1.807 -6.385 1.00 0.00 O ATOM 1482 CB LYS A 100 4.440 -1.144 -7.088 1.00 0.00 C ATOM 1483 CG LYS A 100 3.782 -2.468 -7.480 1.00 0.00 C ATOM 1484 CD LYS A 100 4.602 -3.138 -8.584 1.00 0.00 C ATOM 1485 CE LYS A 100 4.056 -4.542 -8.847 1.00 0.00 C ATOM 1486 NZ LYS A 100 4.175 -4.858 -10.299 1.00 0.00 N ATOM 0 H LYS A 100 1.925 0.333 -6.706 1.00 0.00 H new ATOM 0 HA LYS A 100 3.871 -1.136 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.423 -0.455 -7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.487 -1.309 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.716 -3.124 -6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.763 -2.292 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.558 -2.543 -9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.650 -3.193 -8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.608 -5.275 -8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.013 -4.603 -8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.804 -5.813 -10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.630 -4.165 -10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.175 -4.817 -10.582 1.00 0.00 H new ATOM 1500 N ILE A 101 5.030 1.076 -4.651 1.00 0.00 N ATOM 1501 CA ILE A 101 5.572 2.438 -4.379 1.00 0.00 C ATOM 1502 C ILE A 101 6.853 2.636 -5.201 1.00 0.00 C ATOM 1503 O ILE A 101 7.664 1.741 -5.333 1.00 0.00 O ATOM 1504 CB ILE A 101 5.864 2.587 -2.868 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.714 3.360 -2.209 1.00 0.00 C ATOM 1506 CG2 ILE A 101 7.181 3.345 -2.633 1.00 0.00 C ATOM 1507 CD1 ILE A 101 5.129 3.815 -0.804 1.00 0.00 C ATOM 0 H ILE A 101 5.339 0.348 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 101 4.844 3.197 -4.665 1.00 0.00 H new ATOM 0 HB ILE A 101 5.954 1.592 -2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.450 4.225 -2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.827 2.729 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.362 3.436 -1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.003 2.798 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.113 4.339 -3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.308 4.363 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.371 2.943 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.003 4.462 -0.875 1.00 0.00 H new ATOM 1519 N THR A 102 7.043 3.807 -5.739 1.00 0.00 N ATOM 1520 CA THR A 102 8.272 4.072 -6.536 1.00 0.00 C ATOM 1521 C THR A 102 9.100 5.145 -5.827 1.00 0.00 C ATOM 1522 O THR A 102 8.865 6.327 -5.983 1.00 0.00 O ATOM 1523 CB THR A 102 7.885 4.563 -7.933 1.00 0.00 C ATOM 1524 OG1 THR A 102 6.629 4.008 -8.298 1.00 0.00 O ATOM 1525 CG2 THR A 102 8.950 4.126 -8.940 1.00 0.00 C ATOM 0 H THR A 102 6.399 4.594 -5.661 1.00 0.00 H new ATOM 0 HA THR A 102 8.855 3.156 -6.630 1.00 0.00 H new ATOM 0 HB THR A 102 7.814 5.651 -7.930 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.379 4.323 -9.192 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.675 4.475 -9.935 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.913 4.552 -8.659 1.00 0.00 H new ATOM 0 HG23 THR A 102 9.022 3.038 -8.944 1.00 0.00 H new ATOM 1533 N VAL A 103 10.062 4.746 -5.040 1.00 0.00 N ATOM 1534 CA VAL A 103 10.893 5.750 -4.320 1.00 0.00 C ATOM 1535 C VAL A 103 12.216 5.948 -5.062 1.00 0.00 C ATOM 1536 O VAL A 103 12.715 5.052 -5.713 1.00 0.00 O ATOM 1537 CB VAL A 103 11.171 5.261 -2.896 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.773 6.401 -2.072 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.863 4.805 -2.249 1.00 0.00 C ATOM 0 H VAL A 103 10.307 3.771 -4.865 1.00 0.00 H new ATOM 0 HA VAL A 103 10.357 6.698 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 103 11.872 4.427 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 103 11.971 6.052 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.706 6.729 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 103 11.072 7.235 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.061 4.457 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.163 5.640 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.432 3.993 -2.834 1.00 0.00 H new ATOM 1549 N ALA A 104 12.787 7.119 -4.973 1.00 0.00 N ATOM 1550 CA ALA A 104 14.076 7.377 -5.675 1.00 0.00 C ATOM 1551 C ALA A 104 15.241 7.016 -4.752 1.00 0.00 C ATOM 1552 O ALA A 104 16.272 6.549 -5.193 1.00 0.00 O ATOM 1553 CB ALA A 104 14.162 8.858 -6.051 1.00 0.00 C ATOM 0 H ALA A 104 12.416 7.908 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 104 14.127 6.769 -6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.104 9.049 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.332 9.115 -6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.111 9.466 -5.148 1.00 0.00 H new