USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 663 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 18 GLN :FLIP amide:sc= 1.02 F(o=0.97,f=2.2) USER MOD Set 1.2: A 29 THR OG1 : rot -68:sc= 1.19 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -1.39 X(o=-2.3,f=-2.1) USER MOD Set 2.2: A 17 SER OG : rot -108:sc= -0.871 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.121) USER MOD Single : A 22 THR OG1 : rot -42:sc= 0.98 USER MOD Single : A 23 SER OG : rot 180:sc=-0.00283 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -109:sc= 0.371 USER MOD Single : A 40 SER OG : rot 26:sc= 0.493 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.118) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.04 K(o=-1,f=-2.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot -130:sc= 0.304 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -97:sc= 0.0411 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.5!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0648 USER MOD Single : A 90 SER OG : rot 26:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.025 -17.181 5.819 1.00 0.00 N ATOM 2 CA GLY A 1 9.519 -16.468 4.608 1.00 0.00 C ATOM 3 C GLY A 1 10.995 -16.129 4.695 1.00 0.00 C ATOM 4 O GLY A 1 11.367 -15.070 5.201 1.00 0.00 O ATOM 0 H1 GLY A 1 8.012 -17.390 5.710 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.551 -18.070 5.937 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.167 -16.581 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.343 -17.087 3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.946 -15.551 4.472 1.00 0.00 H new ATOM 10 N SER A 2 11.838 -17.031 4.202 1.00 0.00 N ATOM 11 CA SER A 2 13.280 -16.823 4.226 1.00 0.00 C ATOM 12 C SER A 2 13.738 -16.038 3.001 1.00 0.00 C ATOM 13 O SER A 2 12.918 -15.532 2.233 1.00 0.00 O ATOM 14 CB SER A 2 14.010 -18.166 4.288 1.00 0.00 C ATOM 15 OG SER A 2 13.923 -18.850 3.049 1.00 0.00 O ATOM 0 H SER A 2 11.546 -17.913 3.781 1.00 0.00 H new ATOM 0 HA SER A 2 13.523 -16.244 5.117 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.057 -18.003 4.545 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.580 -18.781 5.078 1.00 0.00 H new ATOM 0 HG SER A 2 14.398 -19.705 3.113 1.00 0.00 H new ATOM 21 N SER A 3 15.052 -15.939 2.824 1.00 0.00 N ATOM 22 CA SER A 3 15.618 -15.215 1.692 1.00 0.00 C ATOM 23 C SER A 3 15.198 -13.750 1.717 1.00 0.00 C ATOM 24 O SER A 3 14.273 -13.347 1.012 1.00 0.00 O ATOM 25 CB SER A 3 15.179 -15.861 0.377 1.00 0.00 C ATOM 26 OG SER A 3 15.367 -17.266 0.409 1.00 0.00 O ATOM 0 H SER A 3 15.744 -16.351 3.450 1.00 0.00 H new ATOM 0 HA SER A 3 16.704 -15.263 1.769 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.129 -15.636 0.191 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.748 -15.434 -0.449 1.00 0.00 H new ATOM 0 HG SER A 3 15.077 -17.654 -0.443 1.00 0.00 H new ATOM 32 N GLY A 4 15.883 -12.957 2.535 1.00 0.00 N ATOM 33 CA GLY A 4 15.565 -11.545 2.637 1.00 0.00 C ATOM 34 C GLY A 4 14.223 -11.298 3.295 1.00 0.00 C ATOM 35 O GLY A 4 13.428 -12.223 3.466 1.00 0.00 O ATOM 0 H GLY A 4 16.652 -13.267 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.344 -11.041 3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.564 -11.103 1.641 1.00 0.00 H new ATOM 39 N SER A 5 13.969 -10.047 3.667 1.00 0.00 N ATOM 40 CA SER A 5 12.713 -9.682 4.312 1.00 0.00 C ATOM 41 C SER A 5 12.532 -8.167 4.330 1.00 0.00 C ATOM 42 O SER A 5 11.948 -7.612 5.261 1.00 0.00 O ATOM 43 CB SER A 5 12.669 -10.230 5.738 1.00 0.00 C ATOM 44 OG SER A 5 13.972 -10.333 6.286 1.00 0.00 O ATOM 0 H SER A 5 14.616 -9.270 3.533 1.00 0.00 H new ATOM 0 HA SER A 5 11.897 -10.121 3.738 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.059 -9.578 6.363 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.192 -11.210 5.740 1.00 0.00 H new ATOM 0 HG SER A 5 13.916 -10.684 7.199 1.00 0.00 H new ATOM 50 N SER A 6 13.039 -7.503 3.295 1.00 0.00 N ATOM 51 CA SER A 6 12.932 -6.052 3.193 1.00 0.00 C ATOM 52 C SER A 6 12.532 -5.635 1.782 1.00 0.00 C ATOM 53 O SER A 6 11.529 -4.946 1.589 1.00 0.00 O ATOM 54 CB SER A 6 14.260 -5.395 3.573 1.00 0.00 C ATOM 55 OG SER A 6 14.290 -5.065 4.951 1.00 0.00 O ATOM 0 H SER A 6 13.527 -7.946 2.517 1.00 0.00 H new ATOM 0 HA SER A 6 12.158 -5.719 3.885 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.083 -6.070 3.340 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.407 -4.494 2.977 1.00 0.00 H new ATOM 0 HG SER A 6 15.150 -4.648 5.169 1.00 0.00 H new ATOM 61 N GLY A 7 13.320 -6.056 0.799 1.00 0.00 N ATOM 62 CA GLY A 7 13.030 -5.716 -0.582 1.00 0.00 C ATOM 63 C GLY A 7 14.266 -5.748 -1.459 1.00 0.00 C ATOM 64 O GLY A 7 14.922 -6.783 -1.582 1.00 0.00 O ATOM 0 H GLY A 7 14.155 -6.627 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.290 -6.412 -0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.585 -4.722 -0.622 1.00 0.00 H new ATOM 68 N GLU A 8 14.585 -4.612 -2.070 1.00 0.00 N ATOM 69 CA GLU A 8 15.751 -4.513 -2.941 1.00 0.00 C ATOM 70 C GLU A 8 16.838 -3.657 -2.298 1.00 0.00 C ATOM 71 O GLU A 8 17.562 -2.937 -2.986 1.00 0.00 O ATOM 72 CB GLU A 8 15.354 -3.921 -4.294 1.00 0.00 C ATOM 73 CG GLU A 8 14.413 -4.808 -5.093 1.00 0.00 C ATOM 74 CD GLU A 8 15.152 -5.807 -5.963 1.00 0.00 C ATOM 75 OE1 GLU A 8 16.263 -5.480 -6.429 1.00 0.00 O ATOM 76 OE2 GLU A 8 14.620 -6.917 -6.176 1.00 0.00 O ATOM 0 H GLU A 8 14.053 -3.747 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 8 16.146 -5.517 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.879 -2.953 -4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.255 -3.740 -4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.756 -5.344 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.778 -4.184 -5.722 1.00 0.00 H new ATOM 83 N GLY A 9 16.948 -3.741 -0.977 1.00 0.00 N ATOM 84 CA GLY A 9 17.949 -2.970 -0.264 1.00 0.00 C ATOM 85 C GLY A 9 17.425 -1.623 0.195 1.00 0.00 C ATOM 86 O GLY A 9 17.940 -0.580 -0.206 1.00 0.00 O ATOM 0 H GLY A 9 16.361 -4.330 -0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 9 18.292 -3.537 0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 9 18.814 -2.819 -0.909 1.00 0.00 H new ATOM 90 N THR A 10 16.399 -1.647 1.040 1.00 0.00 N ATOM 91 CA THR A 10 15.805 -0.419 1.555 1.00 0.00 C ATOM 92 C THR A 10 15.037 -0.686 2.845 1.00 0.00 C ATOM 93 O THR A 10 14.701 -1.829 3.155 1.00 0.00 O ATOM 94 CB THR A 10 14.874 0.199 0.512 1.00 0.00 C ATOM 95 OG1 THR A 10 14.281 1.385 1.008 1.00 0.00 O ATOM 96 CG2 THR A 10 13.757 -0.728 0.084 1.00 0.00 C ATOM 0 H THR A 10 15.962 -2.503 1.382 1.00 0.00 H new ATOM 0 HA THR A 10 16.611 0.282 1.772 1.00 0.00 H new ATOM 0 HB THR A 10 15.505 0.405 -0.352 1.00 0.00 H new ATOM 0 HG1 THR A 10 13.690 1.766 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 10 13.133 -0.228 -0.657 1.00 0.00 H new ATOM 0 HG22 THR A 10 14.182 -1.633 -0.350 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.150 -0.991 0.951 1.00 0.00 H new ATOM 104 N VAL A 11 14.763 0.377 3.595 1.00 0.00 N ATOM 105 CA VAL A 11 14.033 0.257 4.853 1.00 0.00 C ATOM 106 C VAL A 11 12.577 -0.120 4.609 1.00 0.00 C ATOM 107 O VAL A 11 11.914 0.449 3.741 1.00 0.00 O ATOM 108 CB VAL A 11 14.085 1.568 5.660 1.00 0.00 C ATOM 109 CG1 VAL A 11 13.497 1.365 7.047 1.00 0.00 C ATOM 110 CG2 VAL A 11 15.513 2.085 5.748 1.00 0.00 C ATOM 0 H VAL A 11 15.035 1.330 3.354 1.00 0.00 H new ATOM 0 HA VAL A 11 14.518 -0.533 5.427 1.00 0.00 H new ATOM 0 HB VAL A 11 13.484 2.316 5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 11 13.542 2.302 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.459 1.045 6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.068 0.602 7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.530 3.012 6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.139 1.342 6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.895 2.273 4.744 1.00 0.00 H new ATOM 120 N LYS A 12 12.083 -1.083 5.381 1.00 0.00 N ATOM 121 CA LYS A 12 10.703 -1.537 5.250 1.00 0.00 C ATOM 122 C LYS A 12 9.727 -0.408 5.561 1.00 0.00 C ATOM 123 O LYS A 12 10.067 0.546 6.261 1.00 0.00 O ATOM 124 CB LYS A 12 10.444 -2.722 6.181 1.00 0.00 C ATOM 125 CG LYS A 12 9.092 -3.381 5.965 1.00 0.00 C ATOM 126 CD LYS A 12 8.998 -4.712 6.694 1.00 0.00 C ATOM 127 CE LYS A 12 7.939 -5.611 6.077 1.00 0.00 C ATOM 128 NZ LYS A 12 6.641 -4.903 5.905 1.00 0.00 N ATOM 0 H LYS A 12 12.618 -1.564 6.104 1.00 0.00 H new ATOM 0 HA LYS A 12 10.547 -1.853 4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.228 -3.465 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.513 -2.383 7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.302 -2.717 6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.928 -3.537 4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.965 -5.214 6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.762 -4.537 7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.287 -5.971 5.109 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.794 -6.487 6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.891 -5.596 5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.412 -4.381 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.712 -4.236 5.110 1.00 0.00 H new ATOM 142 N LEU A 13 8.511 -0.522 5.036 1.00 0.00 N ATOM 143 CA LEU A 13 7.484 0.491 5.258 1.00 0.00 C ATOM 144 C LEU A 13 6.737 0.230 6.562 1.00 0.00 C ATOM 145 O LEU A 13 6.854 -0.843 7.153 1.00 0.00 O ATOM 146 CB LEU A 13 6.499 0.512 4.088 1.00 0.00 C ATOM 147 CG LEU A 13 6.933 1.360 2.892 1.00 0.00 C ATOM 148 CD1 LEU A 13 5.965 1.182 1.732 1.00 0.00 C ATOM 149 CD2 LEU A 13 7.031 2.826 3.286 1.00 0.00 C ATOM 0 H LEU A 13 8.213 -1.305 4.454 1.00 0.00 H new ATOM 0 HA LEU A 13 7.974 1.462 5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.339 -0.512 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.539 0.883 4.448 1.00 0.00 H new ATOM 0 HG LEU A 13 7.919 1.023 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.290 1.793 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.944 0.134 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.966 1.491 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.341 3.415 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.059 3.175 3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.764 2.940 4.085 1.00 0.00 H new ATOM 161 N HIS A 14 5.969 1.220 7.006 1.00 0.00 N ATOM 162 CA HIS A 14 5.202 1.099 8.240 1.00 0.00 C ATOM 163 C HIS A 14 3.829 1.749 8.092 1.00 0.00 C ATOM 164 O HIS A 14 3.444 2.168 7.000 1.00 0.00 O ATOM 165 CB HIS A 14 5.963 1.741 9.403 1.00 0.00 C ATOM 166 CG HIS A 14 6.166 3.216 9.244 1.00 0.00 C ATOM 167 ND1 HIS A 14 6.863 3.788 8.205 1.00 0.00 N ATOM 168 CD2 HIS A 14 5.743 4.245 10.023 1.00 0.00 C ATOM 169 CE1 HIS A 14 6.845 5.117 8.379 1.00 0.00 C ATOM 170 NE2 HIS A 14 6.177 5.446 9.469 1.00 0.00 N ATOM 0 H HIS A 14 5.862 2.115 6.529 1.00 0.00 H new ATOM 0 HA HIS A 14 5.061 0.039 8.450 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.419 1.555 10.329 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.935 1.257 9.502 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.162 4.147 10.928 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.316 5.826 7.714 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.013 6.386 9.830 1.00 0.00 H new ATOM 178 N GLU A 15 3.095 1.830 9.196 1.00 0.00 N ATOM 179 CA GLU A 15 1.766 2.428 9.188 1.00 0.00 C ATOM 180 C GLU A 15 1.851 3.942 9.353 1.00 0.00 C ATOM 181 O GLU A 15 2.545 4.443 10.237 1.00 0.00 O ATOM 182 CB GLU A 15 0.907 1.830 10.303 1.00 0.00 C ATOM 183 CG GLU A 15 0.795 0.316 10.240 1.00 0.00 C ATOM 184 CD GLU A 15 0.897 -0.334 11.605 1.00 0.00 C ATOM 185 OE1 GLU A 15 0.456 0.289 12.594 1.00 0.00 O ATOM 186 OE2 GLU A 15 1.416 -1.468 11.686 1.00 0.00 O ATOM 0 H GLU A 15 3.398 1.489 10.108 1.00 0.00 H new ATOM 0 HA GLU A 15 1.303 2.210 8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.328 2.115 11.267 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.092 2.262 10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.157 0.045 9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.582 -0.076 9.595 1.00 0.00 H new ATOM 193 N GLY A 16 1.140 4.666 8.494 1.00 0.00 N ATOM 194 CA GLY A 16 1.148 6.115 8.561 1.00 0.00 C ATOM 195 C GLY A 16 2.343 6.722 7.851 1.00 0.00 C ATOM 196 O GLY A 16 2.966 7.656 8.358 1.00 0.00 O ATOM 0 H GLY A 16 0.559 4.274 7.753 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.231 6.501 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.153 6.427 9.605 1.00 0.00 H new ATOM 200 N SER A 17 2.664 6.190 6.676 1.00 0.00 N ATOM 201 CA SER A 17 3.792 6.685 5.896 1.00 0.00 C ATOM 202 C SER A 17 3.324 7.239 4.554 1.00 0.00 C ATOM 203 O SER A 17 2.132 7.222 4.247 1.00 0.00 O ATOM 204 CB SER A 17 4.815 5.567 5.672 1.00 0.00 C ATOM 205 OG SER A 17 4.293 4.308 6.061 1.00 0.00 O ATOM 0 H SER A 17 2.159 5.416 6.243 1.00 0.00 H new ATOM 0 HA SER A 17 4.263 7.492 6.457 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.099 5.536 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.720 5.780 6.241 1.00 0.00 H new ATOM 0 HG SER A 17 4.732 4.012 6.885 1.00 0.00 H new ATOM 211 N GLN A 18 4.269 7.730 3.760 1.00 0.00 N ATOM 212 CA GLN A 18 3.954 8.290 2.450 1.00 0.00 C ATOM 213 C GLN A 18 4.763 7.602 1.355 1.00 0.00 C ATOM 214 O GLN A 18 5.867 7.115 1.599 1.00 0.00 O ATOM 215 CB GLN A 18 4.230 9.794 2.436 1.00 0.00 C ATOM 216 CG GLN A 18 3.399 10.575 3.441 1.00 0.00 C ATOM 217 CD GLN A 18 1.984 10.826 2.957 1.00 0.00 C ATOM 218 OE1 GLN A 18 1.139 9.805 3.045 1.00 0.00 O flip ATOM 219 NE2 GLN A 18 1.654 11.925 2.511 1.00 0.00 N flip ATOM 0 H GLN A 18 5.260 7.752 4.000 1.00 0.00 H new ATOM 0 HA GLN A 18 2.895 8.120 2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.287 9.963 2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.034 10.181 1.436 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.365 10.027 4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.884 11.530 3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.337 12.681 2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.698 12.079 2.191 1.00 0.00 H new ATOM 228 N VAL A 19 4.206 7.567 0.149 1.00 0.00 N ATOM 229 CA VAL A 19 4.876 6.939 -0.983 1.00 0.00 C ATOM 230 C VAL A 19 4.375 7.512 -2.305 1.00 0.00 C ATOM 231 O VAL A 19 3.494 8.371 -2.326 1.00 0.00 O ATOM 232 CB VAL A 19 4.665 5.414 -0.986 1.00 0.00 C ATOM 233 CG1 VAL A 19 5.339 4.779 0.221 1.00 0.00 C ATOM 234 CG2 VAL A 19 3.181 5.079 -1.015 1.00 0.00 C ATOM 0 H VAL A 19 3.293 7.966 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 19 5.940 7.151 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 19 5.123 5.005 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.179 3.701 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.408 4.988 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.913 5.193 1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.052 3.997 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.696 5.501 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.731 5.499 -1.914 1.00 0.00 H new ATOM 244 N LEU A 20 4.943 7.030 -3.406 1.00 0.00 N ATOM 245 CA LEU A 20 4.553 7.493 -4.732 1.00 0.00 C ATOM 246 C LEU A 20 4.384 6.320 -5.690 1.00 0.00 C ATOM 247 O LEU A 20 5.236 5.434 -5.759 1.00 0.00 O ATOM 248 CB LEU A 20 5.597 8.469 -5.281 1.00 0.00 C ATOM 249 CG LEU A 20 5.270 9.059 -6.654 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.209 10.141 -6.532 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.528 9.614 -7.307 1.00 0.00 C ATOM 0 H LEU A 20 5.675 6.319 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 20 3.596 8.007 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.718 9.286 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.556 7.955 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 20 4.876 8.263 -7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.990 10.549 -7.519 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.301 9.714 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.574 10.937 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.278 10.030 -8.283 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.950 10.396 -6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.258 8.814 -7.430 1.00 0.00 H new ATOM 263 N LEU A 21 3.278 6.319 -6.428 1.00 0.00 N ATOM 264 CA LEU A 21 2.997 5.254 -7.383 1.00 0.00 C ATOM 265 C LEU A 21 3.885 5.378 -8.616 1.00 0.00 C ATOM 266 O LEU A 21 4.211 6.484 -9.049 1.00 0.00 O ATOM 267 CB LEU A 21 1.524 5.287 -7.796 1.00 0.00 C ATOM 268 CG LEU A 21 0.526 5.140 -6.646 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.894 5.367 -7.140 1.00 0.00 C ATOM 270 CD2 LEU A 21 0.655 3.768 -6.001 1.00 0.00 C ATOM 0 H LEU A 21 2.562 7.044 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 21 3.211 4.301 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.327 6.228 -8.310 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.346 4.488 -8.516 1.00 0.00 H new ATOM 0 HG LEU A 21 0.753 5.896 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.590 5.258 -6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.979 6.371 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.133 4.634 -7.911 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.062 3.681 -5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.455 2.996 -6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.665 3.643 -5.611 1.00 0.00 H new ATOM 282 N THR A 22 4.274 4.238 -9.177 1.00 0.00 N ATOM 283 CA THR A 22 5.126 4.219 -10.360 1.00 0.00 C ATOM 284 C THR A 22 4.297 4.007 -11.623 1.00 0.00 C ATOM 285 O THR A 22 4.767 3.413 -12.593 1.00 0.00 O ATOM 286 CB THR A 22 6.182 3.120 -10.238 1.00 0.00 C ATOM 287 OG1 THR A 22 7.060 3.142 -11.349 1.00 0.00 O ATOM 288 CG2 THR A 22 5.589 1.730 -10.149 1.00 0.00 C ATOM 0 H THR A 22 4.013 3.315 -8.831 1.00 0.00 H new ATOM 0 HA THR A 22 5.626 5.185 -10.432 1.00 0.00 H new ATOM 0 HB THR A 22 6.714 3.332 -9.311 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.546 3.293 -12.169 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.391 0.997 -10.064 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.944 1.665 -9.273 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.004 1.526 -11.046 1.00 0.00 H new ATOM 296 N SER A 23 3.063 4.497 -11.604 1.00 0.00 N ATOM 297 CA SER A 23 2.167 4.362 -12.746 1.00 0.00 C ATOM 298 C SER A 23 1.238 5.567 -12.852 1.00 0.00 C ATOM 299 O SER A 23 1.072 6.145 -13.926 1.00 0.00 O ATOM 300 CB SER A 23 1.345 3.079 -12.629 1.00 0.00 C ATOM 301 OG SER A 23 2.184 1.942 -12.529 1.00 0.00 O ATOM 0 H SER A 23 2.660 4.992 -10.809 1.00 0.00 H new ATOM 0 HA SER A 23 2.775 4.313 -13.649 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.699 3.136 -11.753 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.695 2.980 -13.498 1.00 0.00 H new ATOM 0 HG SER A 23 1.633 1.135 -12.454 1.00 0.00 H new ATOM 307 N SER A 24 0.636 5.942 -11.728 1.00 0.00 N ATOM 308 CA SER A 24 -0.276 7.079 -11.690 1.00 0.00 C ATOM 309 C SER A 24 0.479 8.378 -11.411 1.00 0.00 C ATOM 310 O SER A 24 -0.008 9.466 -11.721 1.00 0.00 O ATOM 311 CB SER A 24 -1.350 6.861 -10.623 1.00 0.00 C ATOM 312 OG SER A 24 -1.512 5.483 -10.336 1.00 0.00 O ATOM 0 H SER A 24 0.764 5.474 -10.831 1.00 0.00 H new ATOM 0 HA SER A 24 -0.753 7.162 -12.667 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.077 7.395 -9.713 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.297 7.278 -10.965 1.00 0.00 H new ATOM 0 HG SER A 24 -2.203 5.371 -9.650 1.00 0.00 H new ATOM 318 N ASN A 25 1.666 8.258 -10.822 1.00 0.00 N ATOM 319 CA ASN A 25 2.483 9.424 -10.502 1.00 0.00 C ATOM 320 C ASN A 25 1.812 10.278 -9.430 1.00 0.00 C ATOM 321 O ASN A 25 1.906 11.505 -9.448 1.00 0.00 O ATOM 322 CB ASN A 25 2.739 10.258 -11.761 1.00 0.00 C ATOM 323 CG ASN A 25 4.199 10.255 -12.169 1.00 0.00 C ATOM 324 OD1 ASN A 25 4.684 9.300 -12.776 1.00 0.00 O ATOM 325 ND2 ASN A 25 4.909 11.328 -11.838 1.00 0.00 N ATOM 0 H ASN A 25 2.083 7.366 -10.557 1.00 0.00 H new ATOM 0 HA ASN A 25 3.439 9.074 -10.113 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.135 9.869 -12.580 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.416 11.284 -11.586 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.897 11.383 -12.087 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.467 12.097 -11.335 1.00 0.00 H new ATOM 332 N GLU A 26 1.135 9.618 -8.495 1.00 0.00 N ATOM 333 CA GLU A 26 0.448 10.315 -7.414 1.00 0.00 C ATOM 334 C GLU A 26 0.848 9.743 -6.058 1.00 0.00 C ATOM 335 O GLU A 26 0.930 8.526 -5.886 1.00 0.00 O ATOM 336 CB GLU A 26 -1.067 10.214 -7.596 1.00 0.00 C ATOM 337 CG GLU A 26 -1.566 10.825 -8.895 1.00 0.00 C ATOM 338 CD GLU A 26 -1.492 12.340 -8.893 1.00 0.00 C ATOM 339 OE1 GLU A 26 -0.366 12.879 -8.936 1.00 0.00 O ATOM 340 OE2 GLU A 26 -2.559 12.987 -8.848 1.00 0.00 O ATOM 0 H GLU A 26 1.048 8.602 -8.465 1.00 0.00 H new ATOM 0 HA GLU A 26 0.742 11.364 -7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.359 9.165 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.559 10.709 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.976 10.437 -9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.597 10.515 -9.065 1.00 0.00 H new ATOM 347 N MET A 27 1.096 10.627 -5.098 1.00 0.00 N ATOM 348 CA MET A 27 1.488 10.210 -3.757 1.00 0.00 C ATOM 349 C MET A 27 0.310 9.584 -3.015 1.00 0.00 C ATOM 350 O MET A 27 -0.849 9.838 -3.343 1.00 0.00 O ATOM 351 CB MET A 27 2.027 11.403 -2.966 1.00 0.00 C ATOM 352 CG MET A 27 3.242 12.056 -3.604 1.00 0.00 C ATOM 353 SD MET A 27 3.702 13.603 -2.801 1.00 0.00 S ATOM 354 CE MET A 27 4.858 13.014 -1.567 1.00 0.00 C ATOM 0 H MET A 27 1.032 11.637 -5.224 1.00 0.00 H new ATOM 0 HA MET A 27 2.274 9.461 -3.852 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.237 12.147 -2.863 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.288 11.074 -1.960 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.084 11.365 -3.563 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.036 12.245 -4.658 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.232 13.858 -0.987 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.355 12.311 -0.903 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.692 12.514 -2.059 1.00 0.00 H new ATOM 364 N ALA A 28 0.616 8.766 -2.014 1.00 0.00 N ATOM 365 CA ALA A 28 -0.417 8.104 -1.226 1.00 0.00 C ATOM 366 C ALA A 28 0.071 7.820 0.191 1.00 0.00 C ATOM 367 O ALA A 28 1.259 7.952 0.486 1.00 0.00 O ATOM 368 CB ALA A 28 -0.853 6.815 -1.905 1.00 0.00 C ATOM 0 H ALA A 28 1.570 8.546 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.274 8.774 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.624 6.331 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.251 7.041 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.003 6.147 -2.002 1.00 0.00 H new ATOM 374 N THR A 29 -0.852 7.428 1.063 1.00 0.00 N ATOM 375 CA THR A 29 -0.517 7.125 2.448 1.00 0.00 C ATOM 376 C THR A 29 -0.671 5.637 2.732 1.00 0.00 C ATOM 377 O THR A 29 -1.605 4.995 2.252 1.00 0.00 O ATOM 378 CB THR A 29 -1.400 7.934 3.398 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.406 9.302 3.034 1.00 0.00 O ATOM 380 CG2 THR A 29 -0.961 7.845 4.844 1.00 0.00 C ATOM 0 H THR A 29 -1.839 7.313 0.834 1.00 0.00 H new ATOM 0 HA THR A 29 0.525 7.400 2.612 1.00 0.00 H new ATOM 0 HB THR A 29 -2.395 7.498 3.310 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.520 9.688 3.198 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.630 8.442 5.465 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.993 6.806 5.171 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.057 8.224 4.939 1.00 0.00 H new ATOM 388 N VAL A 30 0.254 5.094 3.516 1.00 0.00 N ATOM 389 CA VAL A 30 0.223 3.681 3.864 1.00 0.00 C ATOM 390 C VAL A 30 -0.740 3.420 5.018 1.00 0.00 C ATOM 391 O VAL A 30 -0.613 4.013 6.089 1.00 0.00 O ATOM 392 CB VAL A 30 1.622 3.164 4.249 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.607 1.652 4.414 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.650 3.584 3.211 1.00 0.00 C ATOM 0 H VAL A 30 1.034 5.612 3.922 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.121 3.146 2.979 1.00 0.00 H new ATOM 0 HB VAL A 30 1.902 3.607 5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.604 1.306 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.901 1.379 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.305 1.187 3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.632 3.210 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.376 3.172 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.680 4.672 3.148 1.00 0.00 H new ATOM 404 N ARG A 31 -1.699 2.529 4.792 1.00 0.00 N ATOM 405 CA ARG A 31 -2.684 2.191 5.814 1.00 0.00 C ATOM 406 C ARG A 31 -2.568 0.725 6.217 1.00 0.00 C ATOM 407 O ARG A 31 -2.678 0.384 7.394 1.00 0.00 O ATOM 408 CB ARG A 31 -4.097 2.483 5.307 1.00 0.00 C ATOM 409 CG ARG A 31 -4.379 3.964 5.112 1.00 0.00 C ATOM 410 CD ARG A 31 -4.382 4.710 6.437 1.00 0.00 C ATOM 411 NE ARG A 31 -5.363 4.164 7.371 1.00 0.00 N ATOM 412 CZ ARG A 31 -5.538 4.615 8.610 1.00 0.00 C ATOM 413 NH1 ARG A 31 -4.802 5.620 9.068 1.00 0.00 N ATOM 414 NH2 ARG A 31 -6.453 4.061 9.395 1.00 0.00 N ATOM 0 H ARG A 31 -1.816 2.028 3.911 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.487 2.807 6.691 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.249 1.965 4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.819 2.074 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.626 4.395 4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.343 4.090 4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.389 4.659 6.884 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.598 5.763 6.259 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.949 3.391 7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.098 6.051 8.469 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.941 5.962 10.019 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.022 3.289 9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.587 4.407 10.345 1.00 0.00 H new ATOM 428 N TYR A 32 -2.347 -0.139 5.231 1.00 0.00 N ATOM 429 CA TYR A 32 -2.215 -1.569 5.483 1.00 0.00 C ATOM 430 C TYR A 32 -0.909 -2.107 4.907 1.00 0.00 C ATOM 431 O TYR A 32 -0.391 -1.582 3.922 1.00 0.00 O ATOM 432 CB TYR A 32 -3.402 -2.325 4.880 1.00 0.00 C ATOM 433 CG TYR A 32 -3.929 -3.431 5.766 1.00 0.00 C ATOM 434 CD1 TYR A 32 -4.478 -3.150 7.010 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.877 -4.759 5.357 1.00 0.00 C ATOM 436 CE1 TYR A 32 -4.961 -4.158 7.822 1.00 0.00 C ATOM 437 CE2 TYR A 32 -4.358 -5.773 6.163 1.00 0.00 C ATOM 438 CZ TYR A 32 -4.899 -5.468 7.394 1.00 0.00 C ATOM 439 OH TYR A 32 -5.378 -6.475 8.200 1.00 0.00 O ATOM 0 H TYR A 32 -2.256 0.127 4.250 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.204 -1.722 6.562 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.207 -1.618 4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.102 -2.750 3.922 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.528 -2.126 7.349 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.454 -5.002 4.394 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.385 -3.922 8.787 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.310 -6.799 5.830 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.261 -7.338 7.750 1.00 0.00 H new ATOM 449 N VAL A 33 -0.382 -3.156 5.529 1.00 0.00 N ATOM 450 CA VAL A 33 0.864 -3.765 5.079 1.00 0.00 C ATOM 451 C VAL A 33 0.866 -5.267 5.340 1.00 0.00 C ATOM 452 O VAL A 33 1.115 -5.712 6.460 1.00 0.00 O ATOM 453 CB VAL A 33 2.083 -3.133 5.776 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.376 -3.635 5.153 1.00 0.00 C ATOM 455 CG2 VAL A 33 2.006 -1.615 5.713 1.00 0.00 C ATOM 0 H VAL A 33 -0.798 -3.602 6.346 1.00 0.00 H new ATOM 0 HA VAL A 33 0.935 -3.584 4.006 1.00 0.00 H new ATOM 0 HB VAL A 33 2.074 -3.431 6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.226 -3.177 5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.433 -4.719 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.397 -3.370 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.876 -1.186 6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.989 -1.294 4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.098 -1.276 6.212 1.00 0.00 H new ATOM 465 N GLY A 34 0.588 -6.044 4.298 1.00 0.00 N ATOM 466 CA GLY A 34 0.564 -7.488 4.434 1.00 0.00 C ATOM 467 C GLY A 34 -0.061 -8.175 3.234 1.00 0.00 C ATOM 468 O GLY A 34 -0.205 -7.565 2.175 1.00 0.00 O ATOM 0 H GLY A 34 0.379 -5.699 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.582 -7.854 4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.008 -7.756 5.332 1.00 0.00 H new ATOM 472 N PRO A 35 -0.447 -9.454 3.370 1.00 0.00 N ATOM 473 CA PRO A 35 -1.062 -10.215 2.277 1.00 0.00 C ATOM 474 C PRO A 35 -2.466 -9.721 1.949 1.00 0.00 C ATOM 475 O PRO A 35 -2.898 -8.676 2.435 1.00 0.00 O ATOM 476 CB PRO A 35 -1.111 -11.643 2.820 1.00 0.00 C ATOM 477 CG PRO A 35 -1.133 -11.486 4.301 1.00 0.00 C ATOM 478 CD PRO A 35 -0.314 -10.260 4.598 1.00 0.00 C ATOM 0 HA PRO A 35 -0.501 -10.119 1.347 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.996 -12.171 2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.244 -12.219 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.154 -11.372 4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.714 -12.364 4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.691 -9.727 5.471 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.727 -10.512 4.803 1.00 0.00 H new ATOM 486 N THR A 36 -3.176 -10.479 1.119 1.00 0.00 N ATOM 487 CA THR A 36 -4.534 -10.119 0.726 1.00 0.00 C ATOM 488 C THR A 36 -5.420 -11.356 0.637 1.00 0.00 C ATOM 489 O THR A 36 -4.969 -12.475 0.885 1.00 0.00 O ATOM 490 CB THR A 36 -4.519 -9.391 -0.619 1.00 0.00 C ATOM 491 OG1 THR A 36 -3.622 -10.015 -1.519 1.00 0.00 O ATOM 492 CG2 THR A 36 -4.119 -7.935 -0.506 1.00 0.00 C ATOM 0 H THR A 36 -2.833 -11.346 0.706 1.00 0.00 H new ATOM 0 HA THR A 36 -4.944 -9.455 1.488 1.00 0.00 H new ATOM 0 HB THR A 36 -5.544 -9.443 -0.986 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.837 -9.442 -1.649 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.128 -7.477 -1.495 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.823 -7.413 0.142 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.117 -7.865 -0.083 1.00 0.00 H new ATOM 500 N ASP A 37 -6.684 -11.148 0.283 1.00 0.00 N ATOM 501 CA ASP A 37 -7.635 -12.248 0.162 1.00 0.00 C ATOM 502 C ASP A 37 -7.994 -12.499 -1.299 1.00 0.00 C ATOM 503 O ASP A 37 -9.107 -12.920 -1.612 1.00 0.00 O ATOM 504 CB ASP A 37 -8.902 -11.944 0.964 1.00 0.00 C ATOM 505 CG ASP A 37 -9.493 -13.186 1.602 1.00 0.00 C ATOM 506 OD1 ASP A 37 -8.780 -13.850 2.382 1.00 0.00 O ATOM 507 OD2 ASP A 37 -10.671 -13.494 1.321 1.00 0.00 O ATOM 0 H ASP A 37 -7.074 -10.229 0.075 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.165 -13.147 0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.671 -11.215 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.643 -11.488 0.308 1.00 0.00 H new ATOM 512 N PHE A 38 -7.041 -12.240 -2.190 1.00 0.00 N ATOM 513 CA PHE A 38 -7.256 -12.440 -3.618 1.00 0.00 C ATOM 514 C PHE A 38 -5.945 -12.762 -4.328 1.00 0.00 C ATOM 515 O PHE A 38 -5.874 -13.693 -5.130 1.00 0.00 O ATOM 516 CB PHE A 38 -7.893 -11.195 -4.239 1.00 0.00 C ATOM 517 CG PHE A 38 -7.061 -9.954 -4.087 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.115 -9.617 -5.041 1.00 0.00 C ATOM 519 CD2 PHE A 38 -7.227 -9.124 -2.989 1.00 0.00 C ATOM 520 CE1 PHE A 38 -5.347 -8.476 -4.902 1.00 0.00 C ATOM 521 CE2 PHE A 38 -6.462 -7.981 -2.846 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.522 -7.657 -3.804 1.00 0.00 C ATOM 0 H PHE A 38 -6.114 -11.892 -1.948 1.00 0.00 H new ATOM 0 HA PHE A 38 -7.932 -13.286 -3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.068 -11.377 -5.299 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.867 -11.028 -3.779 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.976 -10.253 -5.903 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.962 -9.373 -2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.611 -8.225 -5.651 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.600 -7.342 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.924 -6.764 -3.695 1.00 0.00 H new ATOM 532 N ALA A 39 -4.908 -11.988 -4.025 1.00 0.00 N ATOM 533 CA ALA A 39 -3.600 -12.192 -4.634 1.00 0.00 C ATOM 534 C ALA A 39 -2.659 -12.920 -3.680 1.00 0.00 C ATOM 535 O ALA A 39 -2.999 -13.165 -2.523 1.00 0.00 O ATOM 536 CB ALA A 39 -3.000 -10.858 -5.053 1.00 0.00 C ATOM 0 H ALA A 39 -4.949 -11.214 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.731 -12.814 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.023 -11.025 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.657 -10.374 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.889 -10.218 -4.178 1.00 0.00 H new ATOM 542 N SER A 40 -1.473 -13.264 -4.173 1.00 0.00 N ATOM 543 CA SER A 40 -0.483 -13.965 -3.365 1.00 0.00 C ATOM 544 C SER A 40 0.791 -13.139 -3.228 1.00 0.00 C ATOM 545 O SER A 40 1.442 -12.812 -4.221 1.00 0.00 O ATOM 546 CB SER A 40 -0.158 -15.325 -3.985 1.00 0.00 C ATOM 547 OG SER A 40 0.531 -15.174 -5.214 1.00 0.00 O ATOM 0 H SER A 40 -1.175 -13.068 -5.129 1.00 0.00 H new ATOM 0 HA SER A 40 -0.904 -14.118 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.450 -15.908 -3.293 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.080 -15.884 -4.148 1.00 0.00 H new ATOM 0 HG SER A 40 1.013 -14.321 -5.216 1.00 0.00 H new ATOM 553 N GLY A 41 1.143 -12.803 -1.990 1.00 0.00 N ATOM 554 CA GLY A 41 2.338 -12.017 -1.745 1.00 0.00 C ATOM 555 C GLY A 41 2.087 -10.863 -0.795 1.00 0.00 C ATOM 556 O GLY A 41 1.231 -10.950 0.085 1.00 0.00 O ATOM 0 H GLY A 41 0.621 -13.061 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.115 -12.661 -1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.715 -11.629 -2.691 1.00 0.00 H new ATOM 560 N ILE A 42 2.836 -9.780 -0.971 1.00 0.00 N ATOM 561 CA ILE A 42 2.691 -8.603 -0.123 1.00 0.00 C ATOM 562 C ILE A 42 1.925 -7.499 -0.843 1.00 0.00 C ATOM 563 O ILE A 42 1.881 -7.461 -2.073 1.00 0.00 O ATOM 564 CB ILE A 42 4.061 -8.057 0.323 1.00 0.00 C ATOM 565 CG1 ILE A 42 4.917 -9.179 0.915 1.00 0.00 C ATOM 566 CG2 ILE A 42 3.883 -6.932 1.332 1.00 0.00 C ATOM 567 CD1 ILE A 42 6.374 -9.103 0.512 1.00 0.00 C ATOM 0 H ILE A 42 3.550 -9.693 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 42 2.131 -8.916 0.758 1.00 0.00 H new ATOM 0 HB ILE A 42 4.575 -7.657 -0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.847 -9.144 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.511 -10.140 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.861 -6.558 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.310 -6.123 0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.350 -7.308 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.921 -9.929 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.455 -9.169 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.796 -8.157 0.851 1.00 0.00 H new ATOM 579 N TRP A 43 1.322 -6.602 -0.070 1.00 0.00 N ATOM 580 CA TRP A 43 0.558 -5.497 -0.636 1.00 0.00 C ATOM 581 C TRP A 43 0.483 -4.330 0.342 1.00 0.00 C ATOM 582 O TRP A 43 0.817 -4.470 1.518 1.00 0.00 O ATOM 583 CB TRP A 43 -0.851 -5.962 -1.005 1.00 0.00 C ATOM 584 CG TRP A 43 -0.880 -6.885 -2.186 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.776 -8.246 -2.164 1.00 0.00 C ATOM 586 CD2 TRP A 43 -1.018 -6.513 -3.562 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.842 -8.744 -3.443 1.00 0.00 N ATOM 588 CE2 TRP A 43 -0.991 -7.700 -4.319 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.163 -5.293 -4.228 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -1.104 -7.701 -5.706 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.275 -5.295 -5.606 1.00 0.00 C ATOM 592 CH2 TRP A 43 -1.245 -6.492 -6.332 1.00 0.00 C ATOM 0 H TRP A 43 1.348 -6.619 0.950 1.00 0.00 H new ATOM 0 HA TRP A 43 1.069 -5.158 -1.537 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.296 -6.466 -0.147 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.470 -5.090 -1.218 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.659 -8.844 -1.272 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.789 -9.730 -3.699 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.187 -4.365 -3.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.081 -8.623 -6.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.387 -4.358 -6.131 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.335 -6.461 -7.408 1.00 0.00 H new ATOM 603 N LEU A 44 0.042 -3.178 -0.152 1.00 0.00 N ATOM 604 CA LEU A 44 -0.077 -1.985 0.678 1.00 0.00 C ATOM 605 C LEU A 44 -1.361 -1.227 0.363 1.00 0.00 C ATOM 606 O LEU A 44 -1.483 -0.601 -0.690 1.00 0.00 O ATOM 607 CB LEU A 44 1.134 -1.072 0.468 1.00 0.00 C ATOM 608 CG LEU A 44 2.490 -1.780 0.500 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.552 -0.928 -0.176 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.890 -2.097 1.933 1.00 0.00 C ATOM 0 H LEU A 44 -0.239 -3.045 -1.123 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.111 -2.300 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.027 -0.567 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.126 -0.300 1.237 1.00 0.00 H new ATOM 0 HG LEU A 44 2.403 -2.718 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.510 -1.447 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.270 -0.751 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.639 0.026 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.857 -2.600 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.960 -1.171 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.140 -2.747 2.385 1.00 0.00 H new ATOM 622 N GLY A 45 -2.319 -1.289 1.283 1.00 0.00 N ATOM 623 CA GLY A 45 -3.583 -0.604 1.086 1.00 0.00 C ATOM 624 C GLY A 45 -3.450 0.902 1.189 1.00 0.00 C ATOM 625 O GLY A 45 -3.792 1.493 2.213 1.00 0.00 O ATOM 0 H GLY A 45 -2.242 -1.802 2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.984 -0.864 0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.301 -0.954 1.828 1.00 0.00 H new ATOM 629 N LEU A 46 -2.952 1.524 0.125 1.00 0.00 N ATOM 630 CA LEU A 46 -2.775 2.971 0.100 1.00 0.00 C ATOM 631 C LEU A 46 -4.122 3.685 0.138 1.00 0.00 C ATOM 632 O LEU A 46 -5.167 3.072 -0.078 1.00 0.00 O ATOM 633 CB LEU A 46 -1.999 3.389 -1.150 1.00 0.00 C ATOM 634 CG LEU A 46 -0.489 3.154 -1.085 1.00 0.00 C ATOM 635 CD1 LEU A 46 0.187 3.676 -2.344 1.00 0.00 C ATOM 636 CD2 LEU A 46 0.100 3.817 0.151 1.00 0.00 C ATOM 0 H LEU A 46 -2.664 1.049 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.207 3.258 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.399 2.845 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.179 4.448 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.310 2.081 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.261 3.500 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.214 3.157 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.000 4.745 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.175 3.640 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.090 4.890 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.362 3.397 1.044 1.00 0.00 H new ATOM 648 N GLU A 47 -4.089 4.985 0.415 1.00 0.00 N ATOM 649 CA GLU A 47 -5.309 5.783 0.481 1.00 0.00 C ATOM 650 C GLU A 47 -5.054 7.204 -0.010 1.00 0.00 C ATOM 651 O GLU A 47 -4.435 8.010 0.684 1.00 0.00 O ATOM 652 CB GLU A 47 -5.846 5.814 1.913 1.00 0.00 C ATOM 653 CG GLU A 47 -7.364 5.857 1.992 1.00 0.00 C ATOM 654 CD GLU A 47 -7.885 7.192 2.486 1.00 0.00 C ATOM 655 OE1 GLU A 47 -7.829 7.436 3.710 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.351 7.994 1.649 1.00 0.00 O ATOM 0 H GLU A 47 -3.232 5.508 0.597 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.053 5.321 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.487 4.933 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.439 6.685 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.781 5.651 1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.712 5.067 2.657 1.00 0.00 H new ATOM 663 N LEU A 48 -5.535 7.504 -1.212 1.00 0.00 N ATOM 664 CA LEU A 48 -5.360 8.829 -1.797 1.00 0.00 C ATOM 665 C LEU A 48 -6.286 9.843 -1.135 1.00 0.00 C ATOM 666 O LEU A 48 -7.199 9.476 -0.395 1.00 0.00 O ATOM 667 CB LEU A 48 -5.627 8.783 -3.303 1.00 0.00 C ATOM 668 CG LEU A 48 -4.953 7.628 -4.045 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.649 7.367 -5.372 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.478 7.924 -4.263 1.00 0.00 C ATOM 0 H LEU A 48 -6.049 6.848 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.330 9.141 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.703 8.719 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.294 9.722 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.036 6.730 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.155 6.542 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.693 7.110 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.598 8.262 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.014 7.092 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.373 8.834 -4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.988 8.059 -3.299 1.00 0.00 H new ATOM 682 N ARG A 49 -6.044 11.122 -1.406 1.00 0.00 N ATOM 683 CA ARG A 49 -6.856 12.191 -0.837 1.00 0.00 C ATOM 684 C ARG A 49 -8.079 12.466 -1.707 1.00 0.00 C ATOM 685 O ARG A 49 -9.135 12.854 -1.206 1.00 0.00 O ATOM 686 CB ARG A 49 -6.022 13.466 -0.682 1.00 0.00 C ATOM 687 CG ARG A 49 -5.902 13.944 0.756 1.00 0.00 C ATOM 688 CD ARG A 49 -6.786 15.153 1.020 1.00 0.00 C ATOM 689 NE ARG A 49 -6.761 15.555 2.424 1.00 0.00 N ATOM 690 CZ ARG A 49 -7.459 14.947 3.381 1.00 0.00 C ATOM 691 NH1 ARG A 49 -8.238 13.913 3.090 1.00 0.00 N ATOM 692 NH2 ARG A 49 -7.378 15.377 4.633 1.00 0.00 N ATOM 0 H ARG A 49 -5.292 11.443 -2.016 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.199 11.871 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.024 13.288 -1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.469 14.258 -1.283 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.179 13.136 1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.864 14.198 0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.456 15.986 0.399 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.811 14.923 0.727 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.175 16.347 2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.305 13.579 2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.770 13.452 3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.782 16.172 4.861 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.912 14.912 5.367 1.00 0.00 H new ATOM 706 N SER A 50 -7.929 12.264 -3.012 1.00 0.00 N ATOM 707 CA SER A 50 -9.020 12.491 -3.952 1.00 0.00 C ATOM 708 C SER A 50 -9.517 11.172 -4.538 1.00 0.00 C ATOM 709 O SER A 50 -9.150 10.095 -4.066 1.00 0.00 O ATOM 710 CB SER A 50 -8.567 13.426 -5.075 1.00 0.00 C ATOM 711 OG SER A 50 -9.452 14.525 -5.211 1.00 0.00 O ATOM 0 H SER A 50 -7.062 11.943 -3.443 1.00 0.00 H new ATOM 0 HA SER A 50 -9.842 12.959 -3.411 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.561 13.789 -4.867 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.519 12.875 -6.014 1.00 0.00 H new ATOM 0 HG SER A 50 -9.140 15.109 -5.934 1.00 0.00 H new ATOM 717 N ALA A 51 -10.352 11.264 -5.567 1.00 0.00 N ATOM 718 CA ALA A 51 -10.898 10.079 -6.216 1.00 0.00 C ATOM 719 C ALA A 51 -10.083 9.703 -7.449 1.00 0.00 C ATOM 720 O ALA A 51 -10.323 10.213 -8.544 1.00 0.00 O ATOM 721 CB ALA A 51 -12.353 10.307 -6.594 1.00 0.00 C ATOM 0 H ALA A 51 -10.665 12.147 -5.969 1.00 0.00 H new ATOM 0 HA ALA A 51 -10.843 9.251 -5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.748 9.414 -7.078 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.933 10.520 -5.696 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.423 11.152 -7.279 1.00 0.00 H new ATOM 727 N LYS A 52 -9.118 8.808 -7.265 1.00 0.00 N ATOM 728 CA LYS A 52 -8.267 8.363 -8.363 1.00 0.00 C ATOM 729 C LYS A 52 -7.833 6.915 -8.162 1.00 0.00 C ATOM 730 O LYS A 52 -6.701 6.545 -8.476 1.00 0.00 O ATOM 731 CB LYS A 52 -7.038 9.266 -8.480 1.00 0.00 C ATOM 732 CG LYS A 52 -7.258 10.483 -9.365 1.00 0.00 C ATOM 733 CD LYS A 52 -6.343 11.631 -8.971 1.00 0.00 C ATOM 734 CE LYS A 52 -6.775 12.262 -7.658 1.00 0.00 C ATOM 735 NZ LYS A 52 -5.615 12.783 -6.884 1.00 0.00 N ATOM 0 H LYS A 52 -8.906 8.376 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.844 8.425 -9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.747 9.599 -7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.206 8.684 -8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.079 10.214 -10.406 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.297 10.804 -9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.319 11.268 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.346 12.386 -9.757 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.472 13.075 -7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.309 11.524 -7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.927 13.566 -6.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.221 12.022 -6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.885 13.125 -7.541 1.00 0.00 H new ATOM 749 N GLY A 53 -8.741 6.098 -7.637 1.00 0.00 N ATOM 750 CA GLY A 53 -8.435 4.700 -7.404 1.00 0.00 C ATOM 751 C GLY A 53 -9.498 3.773 -7.958 1.00 0.00 C ATOM 752 O GLY A 53 -10.347 4.191 -8.746 1.00 0.00 O ATOM 0 H GLY A 53 -9.684 6.380 -7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.475 4.461 -7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.330 4.528 -6.333 1.00 0.00 H new ATOM 756 N LYS A 54 -9.454 2.510 -7.544 1.00 0.00 N ATOM 757 CA LYS A 54 -10.421 1.521 -8.004 1.00 0.00 C ATOM 758 C LYS A 54 -10.871 0.624 -6.856 1.00 0.00 C ATOM 759 O LYS A 54 -11.186 -0.548 -7.057 1.00 0.00 O ATOM 760 CB LYS A 54 -9.820 0.672 -9.125 1.00 0.00 C ATOM 761 CG LYS A 54 -9.613 1.437 -10.423 1.00 0.00 C ATOM 762 CD LYS A 54 -10.936 1.850 -11.045 1.00 0.00 C ATOM 763 CE LYS A 54 -10.915 1.696 -12.557 1.00 0.00 C ATOM 764 NZ LYS A 54 -11.112 0.280 -12.974 1.00 0.00 N ATOM 0 H LYS A 54 -8.759 2.148 -6.891 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.292 2.053 -8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.862 0.271 -8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.473 -0.179 -9.315 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.008 2.323 -10.231 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.057 0.817 -11.127 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.740 1.244 -10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.152 2.887 -10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.697 2.316 -12.996 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.964 2.060 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.091 0.218 -14.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.352 -0.308 -12.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.031 -0.060 -12.625 1.00 0.00 H new ATOM 778 N ASN A 55 -10.897 1.184 -5.651 1.00 0.00 N ATOM 779 CA ASN A 55 -11.307 0.435 -4.469 1.00 0.00 C ATOM 780 C ASN A 55 -12.110 1.318 -3.518 1.00 0.00 C ATOM 781 O ASN A 55 -11.997 2.543 -3.549 1.00 0.00 O ATOM 782 CB ASN A 55 -10.082 -0.129 -3.746 1.00 0.00 C ATOM 783 CG ASN A 55 -9.424 -1.257 -4.517 1.00 0.00 C ATOM 784 OD1 ASN A 55 -10.068 -1.935 -5.318 1.00 0.00 O ATOM 785 ND2 ASN A 55 -8.134 -1.462 -4.277 1.00 0.00 N ATOM 0 H ASN A 55 -10.639 2.154 -5.467 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.941 -0.390 -4.794 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.358 0.670 -3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.379 -0.490 -2.761 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.636 -2.207 -4.765 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.641 -0.875 -3.604 1.00 0.00 H new ATOM 792 N ASP A 56 -12.920 0.687 -2.674 1.00 0.00 N ATOM 793 CA ASP A 56 -13.741 1.415 -1.714 1.00 0.00 C ATOM 794 C ASP A 56 -13.307 1.106 -0.284 1.00 0.00 C ATOM 795 O ASP A 56 -14.129 1.078 0.632 1.00 0.00 O ATOM 796 CB ASP A 56 -15.217 1.059 -1.899 1.00 0.00 C ATOM 797 CG ASP A 56 -15.483 -0.421 -1.708 1.00 0.00 C ATOM 798 OD1 ASP A 56 -14.593 -1.232 -2.040 1.00 0.00 O ATOM 799 OD2 ASP A 56 -16.583 -0.770 -1.227 1.00 0.00 O ATOM 0 H ASP A 56 -13.025 -0.327 -2.636 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.607 2.482 -1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.817 1.628 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.537 1.357 -2.897 1.00 0.00 H new ATOM 804 N GLY A 57 -12.012 0.874 -0.102 1.00 0.00 N ATOM 805 CA GLY A 57 -11.491 0.570 1.218 1.00 0.00 C ATOM 806 C GLY A 57 -11.320 -0.918 1.446 1.00 0.00 C ATOM 807 O GLY A 57 -10.461 -1.340 2.220 1.00 0.00 O ATOM 0 H GLY A 57 -11.313 0.891 -0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.530 1.067 1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.165 0.975 1.973 1.00 0.00 H new ATOM 811 N ALA A 58 -12.142 -1.715 0.771 1.00 0.00 N ATOM 812 CA ALA A 58 -12.078 -3.166 0.904 1.00 0.00 C ATOM 813 C ALA A 58 -12.190 -3.848 -0.455 1.00 0.00 C ATOM 814 O ALA A 58 -12.929 -3.394 -1.329 1.00 0.00 O ATOM 815 CB ALA A 58 -13.176 -3.659 1.836 1.00 0.00 C ATOM 0 H ALA A 58 -12.859 -1.381 0.127 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.109 -3.424 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.117 -4.744 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.050 -3.206 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.149 -3.381 1.431 1.00 0.00 H new ATOM 821 N VAL A 59 -11.451 -4.939 -0.627 1.00 0.00 N ATOM 822 CA VAL A 59 -11.468 -5.685 -1.880 1.00 0.00 C ATOM 823 C VAL A 59 -11.905 -7.128 -1.654 1.00 0.00 C ATOM 824 O VAL A 59 -11.169 -7.927 -1.074 1.00 0.00 O ATOM 825 CB VAL A 59 -10.083 -5.680 -2.554 1.00 0.00 C ATOM 826 CG1 VAL A 59 -10.165 -6.286 -3.947 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.523 -4.267 -2.613 1.00 0.00 C ATOM 0 H VAL A 59 -10.833 -5.326 0.086 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.185 -5.189 -2.534 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.406 -6.290 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.177 -6.274 -4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.520 -7.314 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.857 -5.705 -4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.544 -4.283 -3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.198 -3.632 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.425 -3.872 -1.602 1.00 0.00 H new ATOM 837 N GLY A 60 -13.108 -7.456 -2.115 1.00 0.00 N ATOM 838 CA GLY A 60 -13.621 -8.803 -1.954 1.00 0.00 C ATOM 839 C GLY A 60 -14.219 -9.035 -0.580 1.00 0.00 C ATOM 840 O GLY A 60 -15.067 -8.265 -0.127 1.00 0.00 O ATOM 0 H GLY A 60 -13.736 -6.813 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.379 -8.993 -2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.815 -9.518 -2.122 1.00 0.00 H new ATOM 844 N ASP A 61 -13.778 -10.098 0.084 1.00 0.00 N ATOM 845 CA ASP A 61 -14.274 -10.429 1.414 1.00 0.00 C ATOM 846 C ASP A 61 -13.248 -10.071 2.485 1.00 0.00 C ATOM 847 O ASP A 61 -13.182 -10.711 3.534 1.00 0.00 O ATOM 848 CB ASP A 61 -14.617 -11.918 1.497 1.00 0.00 C ATOM 849 CG ASP A 61 -15.984 -12.230 0.923 1.00 0.00 C ATOM 850 OD1 ASP A 61 -16.091 -12.368 -0.314 1.00 0.00 O ATOM 851 OD2 ASP A 61 -16.948 -12.336 1.710 1.00 0.00 O ATOM 0 H ASP A 61 -13.078 -10.745 -0.278 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.176 -9.844 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.861 -12.492 0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.582 -12.238 2.538 1.00 0.00 H new ATOM 856 N LYS A 62 -12.449 -9.044 2.213 1.00 0.00 N ATOM 857 CA LYS A 62 -11.428 -8.601 3.154 1.00 0.00 C ATOM 858 C LYS A 62 -11.273 -7.084 3.115 1.00 0.00 C ATOM 859 O LYS A 62 -11.587 -6.443 2.112 1.00 0.00 O ATOM 860 CB LYS A 62 -10.089 -9.275 2.839 1.00 0.00 C ATOM 861 CG LYS A 62 -9.462 -9.971 4.035 1.00 0.00 C ATOM 862 CD LYS A 62 -8.534 -9.039 4.798 1.00 0.00 C ATOM 863 CE LYS A 62 -8.589 -9.302 6.295 1.00 0.00 C ATOM 864 NZ LYS A 62 -7.521 -10.243 6.734 1.00 0.00 N ATOM 0 H LYS A 62 -12.489 -8.504 1.349 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.743 -8.888 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.237 -10.004 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.394 -8.525 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.247 -10.330 4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.905 -10.845 3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.512 -9.169 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.812 -8.004 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.486 -8.360 6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.564 -9.713 6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.593 -10.396 7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.634 -11.151 6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.589 -9.840 6.509 1.00 0.00 H new ATOM 878 N ARG A 63 -10.787 -6.516 4.214 1.00 0.00 N ATOM 879 CA ARG A 63 -10.590 -5.073 4.306 1.00 0.00 C ATOM 880 C ARG A 63 -9.105 -4.724 4.296 1.00 0.00 C ATOM 881 O ARG A 63 -8.249 -5.607 4.356 1.00 0.00 O ATOM 882 CB ARG A 63 -11.250 -4.528 5.576 1.00 0.00 C ATOM 883 CG ARG A 63 -12.199 -3.369 5.318 1.00 0.00 C ATOM 884 CD ARG A 63 -13.648 -3.830 5.291 1.00 0.00 C ATOM 885 NE ARG A 63 -14.220 -3.914 6.633 1.00 0.00 N ATOM 886 CZ ARG A 63 -15.315 -4.611 6.929 1.00 0.00 C ATOM 887 NH1 ARG A 63 -15.958 -5.284 5.983 1.00 0.00 N ATOM 888 NH2 ARG A 63 -15.769 -4.635 8.175 1.00 0.00 N ATOM 0 H ARG A 63 -10.522 -7.032 5.053 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.057 -4.610 3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.798 -5.333 6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.473 -4.204 6.269 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.071 -2.613 6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.949 -2.897 4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -14.237 -3.139 4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.709 -4.806 4.809 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.753 -3.409 7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.614 -5.269 5.023 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.796 -5.816 6.216 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.279 -4.119 8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.608 -5.169 8.402 1.00 0.00 H new ATOM 902 N TYR A 64 -8.807 -3.431 4.220 1.00 0.00 N ATOM 903 CA TYR A 64 -7.425 -2.965 4.204 1.00 0.00 C ATOM 904 C TYR A 64 -7.327 -1.538 4.735 1.00 0.00 C ATOM 905 O TYR A 64 -6.474 -1.234 5.570 1.00 0.00 O ATOM 906 CB TYR A 64 -6.859 -3.033 2.784 1.00 0.00 C ATOM 907 CG TYR A 64 -6.927 -4.414 2.171 1.00 0.00 C ATOM 908 CD1 TYR A 64 -5.966 -5.373 2.465 1.00 0.00 C ATOM 909 CD2 TYR A 64 -7.951 -4.757 1.298 1.00 0.00 C ATOM 910 CE1 TYR A 64 -6.024 -6.635 1.906 1.00 0.00 C ATOM 911 CE2 TYR A 64 -8.016 -6.018 0.735 1.00 0.00 C ATOM 912 CZ TYR A 64 -7.050 -6.953 1.042 1.00 0.00 C ATOM 913 OH TYR A 64 -7.111 -8.209 0.484 1.00 0.00 O ATOM 0 H TYR A 64 -9.504 -2.688 4.169 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.840 -3.616 4.853 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.406 -2.336 2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.821 -2.702 2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.161 -5.128 3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.709 -4.027 1.055 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.269 -7.369 2.145 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -8.819 -6.270 0.058 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.228 -8.131 -0.486 1.00 0.00 H new ATOM 923 N PHE A 65 -8.203 -0.668 4.245 1.00 0.00 N ATOM 924 CA PHE A 65 -8.216 0.726 4.672 1.00 0.00 C ATOM 925 C PHE A 65 -9.627 1.302 4.607 1.00 0.00 C ATOM 926 O PHE A 65 -10.578 0.604 4.260 1.00 0.00 O ATOM 927 CB PHE A 65 -7.273 1.557 3.798 1.00 0.00 C ATOM 928 CG PHE A 65 -7.429 1.292 2.328 1.00 0.00 C ATOM 929 CD1 PHE A 65 -6.786 0.219 1.732 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.219 2.115 1.541 1.00 0.00 C ATOM 931 CE1 PHE A 65 -6.927 -0.027 0.379 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.364 1.874 0.188 1.00 0.00 C ATOM 933 CZ PHE A 65 -7.717 0.801 -0.394 1.00 0.00 C ATOM 0 H PHE A 65 -8.913 -0.903 3.552 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.874 0.767 5.706 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.451 2.615 3.989 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.243 1.350 4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.168 -0.433 2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.728 2.955 1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.420 -0.866 -0.073 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.982 2.524 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.829 0.610 -1.451 1.00 0.00 H new ATOM 943 N THR A 66 -9.754 2.582 4.946 1.00 0.00 N ATOM 944 CA THR A 66 -11.048 3.253 4.926 1.00 0.00 C ATOM 945 C THR A 66 -10.988 4.529 4.094 1.00 0.00 C ATOM 946 O THR A 66 -10.135 5.389 4.319 1.00 0.00 O ATOM 947 CB THR A 66 -11.497 3.580 6.352 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.181 2.518 7.234 1.00 0.00 O ATOM 949 CG2 THR A 66 -12.984 3.844 6.466 1.00 0.00 C ATOM 0 H THR A 66 -8.976 3.174 5.238 1.00 0.00 H new ATOM 0 HA THR A 66 -11.772 2.578 4.469 1.00 0.00 H new ATOM 0 HB THR A 66 -10.961 4.490 6.621 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.475 2.747 8.140 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.235 4.069 7.502 1.00 0.00 H new ATOM 0 HG22 THR A 66 -13.253 4.691 5.835 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.536 2.962 6.143 1.00 0.00 H new ATOM 957 N CYS A 67 -11.898 4.646 3.133 1.00 0.00 N ATOM 958 CA CYS A 67 -11.948 5.819 2.267 1.00 0.00 C ATOM 959 C CYS A 67 -13.275 5.887 1.520 1.00 0.00 C ATOM 960 O CYS A 67 -14.173 5.078 1.753 1.00 0.00 O ATOM 961 CB CYS A 67 -10.788 5.790 1.269 1.00 0.00 C ATOM 962 SG CYS A 67 -10.835 4.392 0.123 1.00 0.00 S ATOM 0 H CYS A 67 -12.610 3.944 2.934 1.00 0.00 H new ATOM 0 HA CYS A 67 -11.859 6.707 2.893 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -10.793 6.717 0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.848 5.762 1.821 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.056 3.447 0.559 1.00 0.00 H new ATOM 968 N LYS A 68 -13.393 6.859 0.620 1.00 0.00 N ATOM 969 CA LYS A 68 -14.611 7.034 -0.162 1.00 0.00 C ATOM 970 C LYS A 68 -14.556 6.208 -1.445 1.00 0.00 C ATOM 971 O LYS A 68 -13.519 5.631 -1.778 1.00 0.00 O ATOM 972 CB LYS A 68 -14.818 8.512 -0.498 1.00 0.00 C ATOM 973 CG LYS A 68 -15.890 9.183 0.347 1.00 0.00 C ATOM 974 CD LYS A 68 -16.464 10.406 -0.349 1.00 0.00 C ATOM 975 CE LYS A 68 -17.953 10.553 -0.080 1.00 0.00 C ATOM 976 NZ LYS A 68 -18.324 11.960 0.234 1.00 0.00 N ATOM 0 H LYS A 68 -12.659 7.537 0.415 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.453 6.685 0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.875 9.042 -0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.087 8.603 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.690 8.472 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.467 9.475 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.942 11.299 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.293 10.328 -1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.514 10.215 -0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.237 9.908 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.347 12.018 0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.808 12.275 1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.077 12.572 -0.570 1.00 0.00 H new ATOM 990 N PRO A 69 -15.675 6.140 -2.187 1.00 0.00 N ATOM 991 CA PRO A 69 -15.749 5.378 -3.438 1.00 0.00 C ATOM 992 C PRO A 69 -14.623 5.737 -4.401 1.00 0.00 C ATOM 993 O PRO A 69 -14.534 6.871 -4.874 1.00 0.00 O ATOM 994 CB PRO A 69 -17.103 5.785 -4.023 1.00 0.00 C ATOM 995 CG PRO A 69 -17.918 6.188 -2.843 1.00 0.00 C ATOM 996 CD PRO A 69 -16.956 6.797 -1.862 1.00 0.00 C ATOM 0 HA PRO A 69 -15.648 4.306 -3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.998 6.607 -4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.567 4.958 -4.561 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.689 6.903 -3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.426 5.328 -2.408 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -16.894 7.879 -1.979 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.256 6.604 -0.832 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.765 4.764 -4.690 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.644 4.977 -5.597 1.00 0.00 C ATOM 1006 C ASN A 70 -11.709 6.060 -5.065 1.00 0.00 C ATOM 1007 O ASN A 70 -11.512 7.095 -5.703 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.153 5.360 -6.989 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.658 4.162 -7.769 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -13.342 3.018 -7.447 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -14.450 4.421 -8.803 1.00 0.00 N ATOM 0 H ASN A 70 -13.825 3.820 -4.309 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.084 4.045 -5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.956 6.091 -6.891 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.350 5.841 -7.547 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.822 3.655 -9.365 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.687 5.386 -9.035 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.136 5.814 -3.891 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.221 6.767 -3.273 1.00 0.00 C ATOM 1020 C TYR A 71 -8.845 6.144 -3.068 1.00 0.00 C ATOM 1021 O TYR A 71 -7.821 6.769 -3.345 1.00 0.00 O ATOM 1022 CB TYR A 71 -10.783 7.247 -1.932 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.526 8.560 -2.022 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.676 8.678 -2.793 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.079 9.682 -1.335 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.359 9.876 -2.878 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -11.757 10.884 -1.415 1.00 0.00 C ATOM 1028 CZ TYR A 71 -12.895 10.976 -2.188 1.00 0.00 C ATOM 1029 OH TYR A 71 -13.572 12.171 -2.270 1.00 0.00 O ATOM 0 H TYR A 71 -11.289 4.964 -3.349 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.116 7.621 -3.942 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.455 6.486 -1.536 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.964 7.351 -1.221 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.042 7.819 -3.335 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.188 9.614 -0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.251 9.951 -3.482 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.397 11.747 -0.875 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.115 12.844 -1.724 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.827 4.907 -2.582 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.571 4.220 -2.349 1.00 0.00 C ATOM 1041 C GLY A 72 -7.187 3.307 -3.498 1.00 0.00 C ATOM 1042 O GLY A 72 -7.989 3.061 -4.398 1.00 0.00 O ATOM 0 H GLY A 72 -9.660 4.368 -2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.782 4.955 -2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.645 3.634 -1.433 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.957 2.805 -3.465 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.468 1.915 -4.512 1.00 0.00 C ATOM 1048 C VAL A 73 -4.615 0.795 -3.926 1.00 0.00 C ATOM 1049 O VAL A 73 -4.043 0.938 -2.845 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.639 2.682 -5.560 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.525 3.625 -6.357 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.504 3.442 -4.889 1.00 0.00 C ATOM 0 H VAL A 73 -5.281 2.999 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.344 1.485 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.204 1.961 -6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.921 4.158 -7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.298 3.052 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.992 4.343 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.929 3.978 -5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.916 4.154 -4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.853 2.739 -4.368 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.534 -0.318 -4.646 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.750 -1.463 -4.197 1.00 0.00 C ATOM 1064 C LEU A 74 -2.463 -1.590 -5.006 1.00 0.00 C ATOM 1065 O LEU A 74 -2.495 -1.695 -6.232 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.573 -2.749 -4.312 1.00 0.00 C ATOM 1067 CG LEU A 74 -5.008 -3.360 -2.980 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.019 -4.472 -3.206 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -3.801 -3.880 -2.214 1.00 0.00 C ATOM 0 H LEU A 74 -5.001 -0.452 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.485 -1.305 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.463 -2.541 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.989 -3.488 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.485 -2.582 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.316 -4.894 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.896 -4.069 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.571 -5.252 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.129 -4.312 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.296 -4.643 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.112 -3.058 -2.018 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.330 -1.582 -4.310 1.00 0.00 N ATOM 1082 CA VAL A 75 -0.031 -1.697 -4.962 1.00 0.00 C ATOM 1083 C VAL A 75 0.990 -2.351 -4.037 1.00 0.00 C ATOM 1084 O VAL A 75 0.719 -2.576 -2.857 1.00 0.00 O ATOM 1085 CB VAL A 75 0.501 -0.320 -5.404 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.224 0.157 -6.652 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.363 0.693 -4.277 1.00 0.00 C ATOM 0 H VAL A 75 -1.286 -1.497 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.173 -2.322 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 75 1.560 -0.420 -5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.165 1.131 -6.949 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.067 -0.558 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.291 0.241 -6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.744 1.659 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.687 0.791 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.934 0.355 -3.412 1.00 0.00 H new ATOM 1097 N ARG A 76 2.164 -2.655 -4.581 1.00 0.00 N ATOM 1098 CA ARG A 76 3.225 -3.285 -3.802 1.00 0.00 C ATOM 1099 C ARG A 76 4.379 -2.315 -3.565 1.00 0.00 C ATOM 1100 O ARG A 76 4.545 -1.344 -4.300 1.00 0.00 O ATOM 1101 CB ARG A 76 3.733 -4.539 -4.516 1.00 0.00 C ATOM 1102 CG ARG A 76 2.678 -5.624 -4.665 1.00 0.00 C ATOM 1103 CD ARG A 76 3.271 -6.912 -5.213 1.00 0.00 C ATOM 1104 NE ARG A 76 3.851 -6.726 -6.542 1.00 0.00 N ATOM 1105 CZ ARG A 76 5.126 -6.411 -6.762 1.00 0.00 C ATOM 1106 NH1 ARG A 76 5.964 -6.237 -5.747 1.00 0.00 N ATOM 1107 NH2 ARG A 76 5.567 -6.268 -8.004 1.00 0.00 N ATOM 0 H ARG A 76 2.405 -2.476 -5.556 1.00 0.00 H new ATOM 0 HA ARG A 76 2.811 -3.569 -2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.099 -4.261 -5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.582 -4.943 -3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.217 -5.819 -3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.888 -5.275 -5.330 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.038 -7.277 -4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.496 -7.677 -5.260 1.00 0.00 H new ATOM 0 HE ARG A 76 3.241 -6.845 -7.351 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.633 -6.344 -4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.939 -5.996 -5.926 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.930 -6.399 -8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.543 -6.027 -8.174 1.00 0.00 H new ATOM 1121 N PRO A 77 5.196 -2.569 -2.523 1.00 0.00 N ATOM 1122 CA PRO A 77 6.338 -1.717 -2.190 1.00 0.00 C ATOM 1123 C PRO A 77 7.146 -1.365 -3.429 1.00 0.00 C ATOM 1124 O PRO A 77 7.395 -0.196 -3.715 1.00 0.00 O ATOM 1125 CB PRO A 77 7.156 -2.587 -1.238 1.00 0.00 C ATOM 1126 CG PRO A 77 6.150 -3.463 -0.574 1.00 0.00 C ATOM 1127 CD PRO A 77 5.067 -3.709 -1.593 1.00 0.00 C ATOM 0 HA PRO A 77 6.041 -0.763 -1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.899 -3.174 -1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.695 -1.980 -0.511 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.603 -4.401 -0.253 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.744 -2.984 0.317 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.207 -4.661 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.081 -3.738 -1.130 1.00 0.00 H new ATOM 1135 N SER A 78 7.532 -2.395 -4.178 1.00 0.00 N ATOM 1136 CA SER A 78 8.287 -2.197 -5.405 1.00 0.00 C ATOM 1137 C SER A 78 7.526 -1.259 -6.334 1.00 0.00 C ATOM 1138 O SER A 78 8.112 -0.616 -7.203 1.00 0.00 O ATOM 1139 CB SER A 78 8.540 -3.537 -6.100 1.00 0.00 C ATOM 1140 OG SER A 78 8.931 -4.529 -5.167 1.00 0.00 O ATOM 0 H SER A 78 7.334 -3.370 -3.955 1.00 0.00 H new ATOM 0 HA SER A 78 9.250 -1.750 -5.157 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.637 -3.857 -6.619 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.316 -3.418 -6.856 1.00 0.00 H new ATOM 0 HG SER A 78 9.085 -5.376 -5.635 1.00 0.00 H new ATOM 1146 N ARG A 79 6.210 -1.179 -6.130 1.00 0.00 N ATOM 1147 CA ARG A 79 5.368 -0.309 -6.938 1.00 0.00 C ATOM 1148 C ARG A 79 5.186 1.051 -6.266 1.00 0.00 C ATOM 1149 O ARG A 79 4.640 1.976 -6.867 1.00 0.00 O ATOM 1150 CB ARG A 79 4.004 -0.962 -7.175 1.00 0.00 C ATOM 1151 CG ARG A 79 4.094 -2.390 -7.688 1.00 0.00 C ATOM 1152 CD ARG A 79 4.117 -2.437 -9.208 1.00 0.00 C ATOM 1153 NE ARG A 79 3.161 -3.405 -9.740 1.00 0.00 N ATOM 1154 CZ ARG A 79 1.855 -3.173 -9.853 1.00 0.00 C ATOM 1155 NH1 ARG A 79 1.347 -2.007 -9.474 1.00 0.00 N ATOM 1156 NH2 ARG A 79 1.055 -4.108 -10.347 1.00 0.00 N ATOM 0 H ARG A 79 5.710 -1.706 -5.414 1.00 0.00 H new ATOM 0 HA ARG A 79 5.861 -0.156 -7.898 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.440 -0.955 -6.242 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.443 -0.362 -7.891 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.994 -2.863 -7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.245 -2.965 -7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.890 -1.448 -9.605 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.120 -2.694 -9.548 1.00 0.00 H new ATOM 0 HE ARG A 79 3.515 -4.312 -10.043 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.958 -1.284 -9.094 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.346 -1.834 -9.563 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.440 -5.006 -10.641 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.054 -3.930 -10.433 1.00 0.00 H new ATOM 1170 N VAL A 80 5.643 1.172 -5.017 1.00 0.00 N ATOM 1171 CA VAL A 80 5.517 2.430 -4.286 1.00 0.00 C ATOM 1172 C VAL A 80 6.830 2.818 -3.612 1.00 0.00 C ATOM 1173 O VAL A 80 7.392 2.051 -2.832 1.00 0.00 O ATOM 1174 CB VAL A 80 4.410 2.357 -3.219 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.046 2.203 -3.874 1.00 0.00 C ATOM 1176 CG2 VAL A 80 4.677 1.217 -2.249 1.00 0.00 C ATOM 0 H VAL A 80 6.098 0.422 -4.498 1.00 0.00 H new ATOM 0 HA VAL A 80 5.253 3.189 -5.022 1.00 0.00 H new ATOM 0 HB VAL A 80 4.412 3.290 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.276 2.153 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.855 3.058 -4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.028 1.287 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.884 1.181 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.704 0.274 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.635 1.377 -1.754 1.00 0.00 H new ATOM 1186 N THR A 81 7.308 4.020 -3.916 1.00 0.00 N ATOM 1187 CA THR A 81 8.553 4.515 -3.339 1.00 0.00 C ATOM 1188 C THR A 81 8.395 5.955 -2.859 1.00 0.00 C ATOM 1189 O THR A 81 7.595 6.716 -3.402 1.00 0.00 O ATOM 1190 CB THR A 81 9.685 4.430 -4.364 1.00 0.00 C ATOM 1191 OG1 THR A 81 9.428 3.407 -5.310 1.00 0.00 O ATOM 1192 CG2 THR A 81 11.036 4.150 -3.743 1.00 0.00 C ATOM 0 H THR A 81 6.853 4.669 -4.558 1.00 0.00 H new ATOM 0 HA THR A 81 8.800 3.889 -2.482 1.00 0.00 H new ATOM 0 HB THR A 81 9.718 5.410 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.162 3.369 -5.958 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.793 4.102 -4.526 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.287 4.947 -3.043 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.002 3.198 -3.212 1.00 0.00 H new ATOM 1200 N TYR A 82 9.163 6.322 -1.838 1.00 0.00 N ATOM 1201 CA TYR A 82 9.107 7.671 -1.286 1.00 0.00 C ATOM 1202 C TYR A 82 10.472 8.349 -1.363 1.00 0.00 C ATOM 1203 O TYR A 82 10.572 9.525 -1.709 1.00 0.00 O ATOM 1204 CB TYR A 82 8.625 7.631 0.165 1.00 0.00 C ATOM 1205 CG TYR A 82 9.447 6.724 1.054 1.00 0.00 C ATOM 1206 CD1 TYR A 82 9.222 5.353 1.077 1.00 0.00 C ATOM 1207 CD2 TYR A 82 10.447 7.240 1.870 1.00 0.00 C ATOM 1208 CE1 TYR A 82 9.970 4.522 1.889 1.00 0.00 C ATOM 1209 CE2 TYR A 82 11.200 6.414 2.683 1.00 0.00 C ATOM 1210 CZ TYR A 82 10.957 5.057 2.690 1.00 0.00 C ATOM 1211 OH TYR A 82 11.705 4.232 3.499 1.00 0.00 O ATOM 0 H TYR A 82 9.831 5.705 -1.376 1.00 0.00 H new ATOM 0 HA TYR A 82 8.401 8.250 -1.880 1.00 0.00 H new ATOM 0 HB2 TYR A 82 8.646 8.641 0.573 1.00 0.00 H new ATOM 0 HB3 TYR A 82 7.587 7.300 0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.450 4.930 0.450 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.639 8.303 1.869 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.783 3.458 1.896 1.00 0.00 H new ATOM 0 HE2 TYR A 82 11.975 6.830 3.310 1.00 0.00 H new ATOM 0 HH TYR A 82 12.358 4.767 3.997 1.00 0.00 H new ATOM 1221 N ARG A 83 11.520 7.598 -1.038 1.00 0.00 N ATOM 1222 CA ARG A 83 12.879 8.127 -1.071 1.00 0.00 C ATOM 1223 C ARG A 83 13.039 9.276 -0.079 1.00 0.00 C ATOM 1224 O ARG A 83 12.133 9.567 0.701 1.00 0.00 O ATOM 1225 CB ARG A 83 13.230 8.601 -2.484 1.00 0.00 C ATOM 1226 CG ARG A 83 14.113 7.628 -3.249 1.00 0.00 C ATOM 1227 CD ARG A 83 15.477 8.227 -3.551 1.00 0.00 C ATOM 1228 NE ARG A 83 16.543 7.231 -3.468 1.00 0.00 N ATOM 1229 CZ ARG A 83 17.078 6.813 -2.323 1.00 0.00 C ATOM 1230 NH1 ARG A 83 16.649 7.299 -1.165 1.00 0.00 N ATOM 1231 NH2 ARG A 83 18.044 5.904 -2.337 1.00 0.00 N ATOM 0 H ARG A 83 11.454 6.622 -0.749 1.00 0.00 H new ATOM 0 HA ARG A 83 13.562 7.327 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.309 8.761 -3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.735 9.565 -2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.237 6.714 -2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.624 7.348 -4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.467 8.665 -4.549 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.681 9.036 -2.849 1.00 0.00 H new ATOM 0 HE ARG A 83 16.898 6.833 -4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 83 15.905 7.997 -1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.063 6.975 -0.291 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.376 5.526 -3.224 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.455 5.583 -1.460 1.00 0.00 H new ATOM 1245 N GLY A 84 14.200 9.925 -0.115 1.00 0.00 N ATOM 1246 CA GLY A 84 14.457 11.033 0.785 1.00 0.00 C ATOM 1247 C GLY A 84 15.164 12.186 0.101 1.00 0.00 C ATOM 1248 O GLY A 84 15.988 12.868 0.712 1.00 0.00 O ATOM 0 H GLY A 84 14.966 9.703 -0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.513 11.385 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.063 10.684 1.621 1.00 0.00 H new ATOM 1252 N ILE A 85 14.843 12.406 -1.170 1.00 0.00 N ATOM 1253 CA ILE A 85 15.453 13.485 -1.937 1.00 0.00 C ATOM 1254 C ILE A 85 14.551 14.714 -1.969 1.00 0.00 C ATOM 1255 O ILE A 85 13.332 14.599 -2.107 1.00 0.00 O ATOM 1256 CB ILE A 85 15.755 13.047 -3.382 1.00 0.00 C ATOM 1257 CG1 ILE A 85 14.490 12.507 -4.052 1.00 0.00 C ATOM 1258 CG2 ILE A 85 16.859 12.000 -3.397 1.00 0.00 C ATOM 1259 CD1 ILE A 85 14.301 13.002 -5.469 1.00 0.00 C ATOM 0 H ILE A 85 14.164 11.851 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 85 16.389 13.737 -1.439 1.00 0.00 H new ATOM 0 HB ILE A 85 16.096 13.916 -3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.528 11.418 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.623 12.793 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 85 17.062 11.700 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 85 17.764 12.419 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 85 16.544 11.130 -2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.385 12.580 -5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.231 14.090 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.150 12.694 -6.079 1.00 0.00 H new ATOM 1271 N SER A 86 15.156 15.890 -1.842 1.00 0.00 N ATOM 1272 CA SER A 86 14.407 17.141 -1.857 1.00 0.00 C ATOM 1273 C SER A 86 15.345 18.334 -2.015 1.00 0.00 C ATOM 1274 O SER A 86 15.795 18.918 -1.030 1.00 0.00 O ATOM 1275 CB SER A 86 13.591 17.287 -0.572 1.00 0.00 C ATOM 1276 OG SER A 86 14.201 16.594 0.502 1.00 0.00 O ATOM 0 H SER A 86 16.163 16.003 -1.727 1.00 0.00 H new ATOM 0 HA SER A 86 13.728 17.119 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A 86 13.492 18.342 -0.318 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.584 16.902 -0.732 1.00 0.00 H new ATOM 0 HG SER A 86 13.660 16.705 1.312 1.00 0.00 H new ATOM 1282 N GLY A 87 15.634 18.691 -3.263 1.00 0.00 N ATOM 1283 CA GLY A 87 16.516 19.812 -3.528 1.00 0.00 C ATOM 1284 C GLY A 87 17.982 19.435 -3.424 1.00 0.00 C ATOM 1285 O GLY A 87 18.589 19.591 -2.365 1.00 0.00 O ATOM 0 H GLY A 87 15.273 18.224 -4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.314 20.201 -4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.300 20.615 -2.823 1.00 0.00 H new ATOM 1289 N PRO A 88 18.583 18.934 -4.516 1.00 0.00 N ATOM 1290 CA PRO A 88 19.995 18.537 -4.528 1.00 0.00 C ATOM 1291 C PRO A 88 20.913 19.646 -4.025 1.00 0.00 C ATOM 1292 O PRO A 88 21.974 19.380 -3.461 1.00 0.00 O ATOM 1293 CB PRO A 88 20.271 18.245 -6.005 1.00 0.00 C ATOM 1294 CG PRO A 88 18.942 17.891 -6.576 1.00 0.00 C ATOM 1295 CD PRO A 88 17.935 18.714 -5.823 1.00 0.00 C ATOM 0 HA PRO A 88 20.184 17.689 -3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 88 20.699 19.113 -6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 88 20.982 17.427 -6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 88 18.905 18.110 -7.643 1.00 0.00 H new ATOM 0 HG3 PRO A 88 18.739 16.826 -6.462 1.00 0.00 H new ATOM 0 HD2 PRO A 88 17.725 19.655 -6.331 1.00 0.00 H new ATOM 0 HD3 PRO A 88 16.985 18.190 -5.718 1.00 0.00 H new ATOM 1303 N SER A 89 20.497 20.892 -4.231 1.00 0.00 N ATOM 1304 CA SER A 89 21.281 22.042 -3.798 1.00 0.00 C ATOM 1305 C SER A 89 21.398 22.078 -2.277 1.00 0.00 C ATOM 1306 O SER A 89 20.527 22.611 -1.590 1.00 0.00 O ATOM 1307 CB SER A 89 20.647 23.339 -4.303 1.00 0.00 C ATOM 1308 OG SER A 89 19.248 23.191 -4.469 1.00 0.00 O ATOM 0 H SER A 89 19.621 21.130 -4.695 1.00 0.00 H new ATOM 0 HA SER A 89 22.281 21.948 -4.220 1.00 0.00 H new ATOM 0 HB2 SER A 89 20.850 24.145 -3.598 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.101 23.624 -5.252 1.00 0.00 H new ATOM 0 HG SER A 89 18.866 24.034 -4.791 1.00 0.00 H new ATOM 1314 N SER A 90 22.482 21.509 -1.759 1.00 0.00 N ATOM 1315 CA SER A 90 22.713 21.477 -0.319 1.00 0.00 C ATOM 1316 C SER A 90 24.116 20.971 -0.005 1.00 0.00 C ATOM 1317 O SER A 90 24.330 20.280 0.992 1.00 0.00 O ATOM 1318 CB SER A 90 21.673 20.589 0.366 1.00 0.00 C ATOM 1319 OG SER A 90 20.496 21.319 0.666 1.00 0.00 O ATOM 0 H SER A 90 23.213 21.064 -2.314 1.00 0.00 H new ATOM 0 HA SER A 90 22.619 22.494 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 90 21.427 19.747 -0.281 1.00 0.00 H new ATOM 0 HB3 SER A 90 22.092 20.175 1.283 1.00 0.00 H new ATOM 0 HG SER A 90 20.414 22.076 0.049 1.00 0.00 H new ATOM 1325 N GLY A 91 25.071 21.318 -0.862 1.00 0.00 N ATOM 1326 CA GLY A 91 26.442 20.890 -0.658 1.00 0.00 C ATOM 1327 C GLY A 91 26.598 19.384 -0.741 1.00 0.00 C ATOM 1328 O GLY A 91 26.425 18.711 0.297 1.00 0.00 O ATOM 1329 OXT GLY A 91 26.894 18.877 -1.844 1.00 0.00 O ATOM 0 H GLY A 91 24.919 21.888 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 91 27.081 21.360 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 91 26.786 21.235 0.317 1.00 0.00 H new TER 1333 GLY A 91