USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 970 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 35 THR OG1 : rot -73:sc= -3.6! USER MOD Set 1.2: A 36 THR OG1 : rot -109:sc= -1.06! USER MOD Set 1.3: A 39 LYS NZ :NH3+ -107:sc= -2.96! (180deg=-6.3!) USER MOD Set 1.4: A 91 SER OG : rot 110:sc=-0.00406 USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= -3.24 F(o=-5.9!,f=-3.4) USER MOD Set 2.2: A 85 GLN : amide:sc= -0.136 X(o=-3.4,f=-3.5) USER MOD Set 3.1: A 71 THR OG1 : rot 146:sc= -0.262 USER MOD Set 3.2: A 73 HIS : no HE2:sc= -10.2! C(o=-36!,f=-43!) USER MOD Set 3.3: A 75 HIS : no HE2:sc= -25.9! C(o=-36!,f=-50!) USER MOD Set 4.1: A 60 ASN : amide:sc= -2.7! C(o=-10!,f=-12!) USER MOD Set 4.2: A 65 ASN :FLIP amide:sc= -7.64! C(o=-12!,f=-10!) USER MOD Set 5.1: A 57 SER OG : rot 20:sc= -0.28! USER MOD Set 5.2: A 59 HIS : no HE2:sc= -8.04! C(o=-8.3!,f=-11!) USER MOD Single : A 8 LYS NZ :NH3+ -163:sc= 0.0158 (180deg=-0.355) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -120:sc= 0.0662 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -2.06 F(o=-2.9!,f=-2.1) 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 THR OG1 : rot 180:sc= 0.0613 USER MOD Single : A 30 CYS SG : rot 58:sc= -2.97! USER MOD Single : A 34 TYR OH : rot 120:sc= -3.8! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 123:sc= -2.39! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -155:sc= -2.91 (180deg=-3.1) USER MOD Single : A 50 LYS NZ :NH3+ -149:sc= -0.833 (180deg=-1.5) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -150:sc= -3.48! USER MOD Single : A 54 THR OG1 : rot 102:sc= -0.519! USER MOD Single : A 61 SER OG : rot 71:sc= -1.14! USER MOD Single : A 62 TYR OH : rot 140:sc= -0.659 USER MOD Single : A 63 ASN : amide:sc= -0.0329 K(o=-0.033,f=-1.7!) USER MOD Single : A 64 HIS :FLIP no HE2:sc= -16.2! C(o=-17!,f=-16!) USER MOD Single : A 78 SER OG : rot 59:sc= -0.519 USER MOD Single : A 82 ASN : amide:sc= -0.265 K(o=-0.27,f=-1.7!) USER MOD Single : A 83 TYR OH : rot 30:sc= -2.37! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 16:sc= 0.281 USER MOD Single : A 89 THR OG1 : rot 45:sc= 1.4 USER MOD Single : A 95 CYS SG : rot 30:sc= -2.52! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.058 K(o=-0.058,f=-2.1!) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.105) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -118:sc= -7.74! (180deg=-12.2!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -56:sc= 0.153 USER MOD Single : A 114 SER OG : rot 180:sc= -0.758 USER MOD Single : A 119 SER OG : rot -41:sc= 0.703 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 108.521 -5.308 18.583 1.00 0.00 N ATOM 75 CA ASP A 6 108.723 -5.116 17.121 1.00 0.00 C ATOM 76 C ASP A 6 108.463 -3.652 16.745 1.00 0.00 C ATOM 77 O ASP A 6 107.810 -2.932 17.473 1.00 0.00 O ATOM 78 CB ASP A 6 107.754 -6.025 16.362 1.00 0.00 C ATOM 79 CG ASP A 6 106.341 -5.439 16.416 1.00 0.00 C ATOM 80 OD1 ASP A 6 105.981 -4.905 17.453 1.00 0.00 O ATOM 81 OD2 ASP A 6 105.642 -5.534 15.420 1.00 0.00 O ATOM 0 HA ASP A 6 109.750 -5.369 16.857 1.00 0.00 H new ATOM 0 HB2 ASP A 6 108.075 -6.129 15.325 1.00 0.00 H new ATOM 0 HB3 ASP A 6 107.760 -7.024 16.799 1.00 0.00 H new ATOM 86 N PRO A 7 108.986 -3.261 15.609 1.00 0.00 N ATOM 87 CA PRO A 7 108.835 -1.890 15.088 1.00 0.00 C ATOM 88 C PRO A 7 107.454 -1.713 14.454 1.00 0.00 C ATOM 89 O PRO A 7 107.062 -2.458 13.578 1.00 0.00 O ATOM 90 CB PRO A 7 109.940 -1.785 14.034 1.00 0.00 C ATOM 91 CG PRO A 7 110.279 -3.234 13.610 1.00 0.00 C ATOM 92 CD PRO A 7 109.779 -4.154 14.738 1.00 0.00 C ATOM 0 HA PRO A 7 108.916 -1.123 15.859 1.00 0.00 H new ATOM 0 HB2 PRO A 7 109.606 -1.198 13.178 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.818 -1.284 14.441 1.00 0.00 H new ATOM 0 HG2 PRO A 7 109.797 -3.483 12.665 1.00 0.00 H new ATOM 0 HG3 PRO A 7 111.352 -3.353 13.461 1.00 0.00 H new ATOM 0 HD2 PRO A 7 109.172 -4.970 14.347 1.00 0.00 H new ATOM 0 HD3 PRO A 7 110.609 -4.606 15.281 1.00 0.00 H new ATOM 100 N LYS A 8 106.713 -0.733 14.890 1.00 0.00 N ATOM 101 CA LYS A 8 105.359 -0.511 14.312 1.00 0.00 C ATOM 102 C LYS A 8 105.441 0.542 13.206 1.00 0.00 C ATOM 103 O LYS A 8 104.440 1.078 12.773 1.00 0.00 O ATOM 104 CB LYS A 8 104.408 -0.026 15.409 1.00 0.00 C ATOM 105 CG LYS A 8 104.978 1.234 16.062 1.00 0.00 C ATOM 106 CD LYS A 8 105.433 0.910 17.487 1.00 0.00 C ATOM 107 CE LYS A 8 105.928 2.186 18.169 1.00 0.00 C ATOM 108 NZ LYS A 8 107.145 2.684 17.467 1.00 0.00 N ATOM 0 H LYS A 8 106.986 -0.077 15.621 1.00 0.00 H new ATOM 0 HA LYS A 8 104.986 -1.446 13.895 1.00 0.00 H new ATOM 0 HB2 LYS A 8 103.426 0.184 14.986 1.00 0.00 H new ATOM 0 HB3 LYS A 8 104.272 -0.806 16.158 1.00 0.00 H new ATOM 0 HG2 LYS A 8 105.817 1.611 15.478 1.00 0.00 H new ATOM 0 HG3 LYS A 8 104.223 2.020 16.080 1.00 0.00 H new ATOM 0 HD2 LYS A 8 104.608 0.479 18.054 1.00 0.00 H new ATOM 0 HD3 LYS A 8 106.228 0.165 17.465 1.00 0.00 H new ATOM 0 HE2 LYS A 8 105.148 2.947 18.151 1.00 0.00 H new ATOM 0 HE3 LYS A 8 106.155 1.987 19.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 107.645 3.362 18.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 107.773 1.884 17.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 106.867 3.154 16.582 1.00 0.00 H new ATOM 122 N ASP A 9 106.624 0.847 12.744 1.00 0.00 N ATOM 123 CA ASP A 9 106.753 1.869 11.667 1.00 0.00 C ATOM 124 C ASP A 9 108.175 1.859 11.099 1.00 0.00 C ATOM 125 O ASP A 9 109.052 1.181 11.596 1.00 0.00 O ATOM 126 CB ASP A 9 106.447 3.253 12.243 1.00 0.00 C ATOM 127 CG ASP A 9 107.164 3.419 13.584 1.00 0.00 C ATOM 128 OD1 ASP A 9 108.282 2.945 13.698 1.00 0.00 O ATOM 129 OD2 ASP A 9 106.582 4.017 14.474 1.00 0.00 O ATOM 0 H ASP A 9 107.501 0.435 13.064 1.00 0.00 H new ATOM 0 HA ASP A 9 106.049 1.636 10.868 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.771 4.027 11.548 1.00 0.00 H new ATOM 0 HB3 ASP A 9 105.372 3.373 12.376 1.00 0.00 H new ATOM 134 N PHE A 10 108.403 2.616 10.061 1.00 0.00 N ATOM 135 CA PHE A 10 109.761 2.673 9.448 1.00 0.00 C ATOM 136 C PHE A 10 110.758 3.195 10.486 1.00 0.00 C ATOM 137 O PHE A 10 110.364 3.712 11.511 1.00 0.00 O ATOM 138 CB PHE A 10 109.725 3.644 8.263 1.00 0.00 C ATOM 139 CG PHE A 10 109.258 2.930 7.019 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.947 2.445 6.940 1.00 0.00 C ATOM 141 CD2 PHE A 10 110.133 2.762 5.938 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.511 1.792 5.782 1.00 0.00 C ATOM 143 CE2 PHE A 10 109.696 2.108 4.779 1.00 0.00 C ATOM 144 CZ PHE A 10 108.385 1.624 4.702 1.00 0.00 C ATOM 0 H PHE A 10 107.702 3.202 9.608 1.00 0.00 H new ATOM 0 HA PHE A 10 110.061 1.680 9.113 1.00 0.00 H new ATOM 0 HB2 PHE A 10 109.058 4.476 8.486 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.717 4.066 8.099 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.272 2.575 7.773 1.00 0.00 H new ATOM 0 HD2 PHE A 10 111.144 3.137 5.998 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.500 1.418 5.722 1.00 0.00 H new ATOM 0 HE2 PHE A 10 110.370 1.977 3.945 1.00 0.00 H new ATOM 0 HZ PHE A 10 108.048 1.120 3.808 1.00 0.00 H new ATOM 154 N PRO A 11 112.024 3.066 10.179 1.00 0.00 N ATOM 155 CA PRO A 11 113.100 3.542 11.065 1.00 0.00 C ATOM 156 C PRO A 11 113.218 5.067 10.964 1.00 0.00 C ATOM 157 O PRO A 11 113.147 5.635 9.894 1.00 0.00 O ATOM 158 CB PRO A 11 114.351 2.845 10.521 1.00 0.00 C ATOM 159 CG PRO A 11 114.037 2.467 9.055 1.00 0.00 C ATOM 160 CD PRO A 11 112.501 2.435 8.929 1.00 0.00 C ATOM 0 HA PRO A 11 112.932 3.319 12.119 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.217 3.504 10.575 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.588 1.958 11.109 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.467 3.194 8.366 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.467 1.497 8.804 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.161 2.984 8.051 1.00 0.00 H new ATOM 0 HD3 PRO A 11 112.130 1.415 8.831 1.00 0.00 H new ATOM 168 N SER A 12 113.381 5.734 12.074 1.00 0.00 N ATOM 169 CA SER A 12 113.486 7.222 12.049 1.00 0.00 C ATOM 170 C SER A 12 114.518 7.665 11.009 1.00 0.00 C ATOM 171 O SER A 12 114.495 8.787 10.544 1.00 0.00 O ATOM 172 CB SER A 12 113.908 7.722 13.431 1.00 0.00 C ATOM 173 OG SER A 12 114.780 8.835 13.283 1.00 0.00 O ATOM 0 H SER A 12 113.446 5.312 13.000 1.00 0.00 H new ATOM 0 HA SER A 12 112.516 7.642 11.783 1.00 0.00 H new ATOM 0 HB2 SER A 12 113.030 8.008 14.010 1.00 0.00 H new ATOM 0 HB3 SER A 12 114.408 6.925 13.982 1.00 0.00 H new ATOM 0 HG SER A 12 115.051 9.158 14.168 1.00 0.00 H new ATOM 179 N GLU A 13 115.423 6.803 10.640 1.00 0.00 N ATOM 180 CA GLU A 13 116.451 7.193 9.634 1.00 0.00 C ATOM 181 C GLU A 13 115.779 7.461 8.283 1.00 0.00 C ATOM 182 O GLU A 13 116.091 8.419 7.605 1.00 0.00 O ATOM 183 CB GLU A 13 117.470 6.063 9.478 1.00 0.00 C ATOM 184 CG GLU A 13 118.828 6.650 9.087 1.00 0.00 C ATOM 185 CD GLU A 13 119.575 7.092 10.347 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.335 8.201 10.795 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.374 6.314 10.840 1.00 0.00 O ATOM 0 H GLU A 13 115.496 5.848 10.990 1.00 0.00 H new ATOM 0 HA GLU A 13 116.957 8.097 9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.558 5.507 10.411 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.134 5.358 8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.414 5.908 8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.690 7.498 8.417 1.00 0.00 H new ATOM 194 N LEU A 14 114.867 6.617 7.883 1.00 0.00 N ATOM 195 CA LEU A 14 114.185 6.819 6.573 1.00 0.00 C ATOM 196 C LEU A 14 113.024 7.802 6.733 1.00 0.00 C ATOM 197 O LEU A 14 112.330 8.113 5.785 1.00 0.00 O ATOM 198 CB LEU A 14 113.647 5.481 6.069 1.00 0.00 C ATOM 199 CG LEU A 14 114.817 4.557 5.733 1.00 0.00 C ATOM 200 CD1 LEU A 14 114.286 3.156 5.432 1.00 0.00 C ATOM 201 CD2 LEU A 14 115.555 5.099 4.507 1.00 0.00 C ATOM 0 H LEU A 14 114.565 5.796 8.407 1.00 0.00 H new ATOM 0 HA LEU A 14 114.901 7.223 5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.013 5.022 6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 14 113.026 5.635 5.186 1.00 0.00 H new ATOM 0 HG LEU A 14 115.503 4.511 6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 14 115.119 2.495 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 14 113.758 2.772 6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 14 113.602 3.200 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 14 116.390 4.442 4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.870 5.143 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 14 115.931 6.099 4.721 1.00 0.00 H new ATOM 213 N LEU A 15 112.805 8.297 7.919 1.00 0.00 N ATOM 214 CA LEU A 15 111.686 9.261 8.121 1.00 0.00 C ATOM 215 C LEU A 15 112.171 10.677 7.798 1.00 0.00 C ATOM 216 O LEU A 15 111.539 11.653 8.148 1.00 0.00 O ATOM 217 CB LEU A 15 111.210 9.202 9.575 1.00 0.00 C ATOM 218 CG LEU A 15 110.805 7.769 9.929 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.240 7.735 11.350 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.736 7.281 8.948 1.00 0.00 C ATOM 0 H LEU A 15 113.349 8.078 8.754 1.00 0.00 H new ATOM 0 HA LEU A 15 110.859 8.999 7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.003 9.541 10.241 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.364 9.875 9.718 1.00 0.00 H new ATOM 0 HG LEU A 15 111.679 7.121 9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.951 6.715 11.602 1.00 0.00 H new ATOM 0 HD12 LEU A 15 110.999 8.082 12.052 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.367 8.384 11.410 1.00 0.00 H new ATOM 0 HD21 LEU A 15 109.449 6.261 9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.862 7.930 9.009 1.00 0.00 H new ATOM 0 HD23 LEU A 15 110.135 7.305 7.934 1.00 0.00 H new ATOM 232 N SER A 16 113.290 10.795 7.134 1.00 0.00 N ATOM 233 CA SER A 16 113.816 12.147 6.790 1.00 0.00 C ATOM 234 C SER A 16 113.183 12.626 5.482 1.00 0.00 C ATOM 235 O SER A 16 113.277 13.783 5.125 1.00 0.00 O ATOM 236 CB SER A 16 115.334 12.074 6.623 1.00 0.00 C ATOM 237 OG SER A 16 115.891 13.365 6.829 1.00 0.00 O ATOM 0 H SER A 16 113.862 10.013 6.815 1.00 0.00 H new ATOM 0 HA SER A 16 113.569 12.846 7.589 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.756 11.365 7.335 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.585 11.712 5.626 1.00 0.00 H new ATOM 0 HG SER A 16 116.864 13.322 6.724 1.00 0.00 H new ATOM 243 N PHE A 17 112.535 11.748 4.766 1.00 0.00 N ATOM 244 CA PHE A 17 111.895 12.159 3.485 1.00 0.00 C ATOM 245 C PHE A 17 110.719 11.232 3.179 1.00 0.00 C ATOM 246 O PHE A 17 110.583 10.724 2.084 1.00 0.00 O ATOM 247 CB PHE A 17 112.914 12.089 2.342 1.00 0.00 C ATOM 248 CG PHE A 17 113.860 10.926 2.551 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.431 9.772 3.220 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.171 11.003 2.066 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.312 8.701 3.404 1.00 0.00 C ATOM 252 CE2 PHE A 17 116.053 9.932 2.251 1.00 0.00 C ATOM 253 CZ PHE A 17 115.623 8.781 2.920 1.00 0.00 C ATOM 0 H PHE A 17 112.421 10.765 5.013 1.00 0.00 H new ATOM 0 HA PHE A 17 111.536 13.184 3.580 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.395 11.978 1.390 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.478 13.020 2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.420 9.709 3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.503 11.891 1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 17 113.980 7.812 3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 17 117.065 9.994 1.878 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.303 7.954 3.063 1.00 0.00 H new ATOM 263 N LEU A 18 109.867 11.005 4.141 1.00 0.00 N ATOM 264 CA LEU A 18 108.703 10.108 3.906 1.00 0.00 C ATOM 265 C LEU A 18 107.409 10.922 3.965 1.00 0.00 C ATOM 266 O LEU A 18 107.396 12.105 3.689 1.00 0.00 O ATOM 267 CB LEU A 18 108.674 9.022 4.982 1.00 0.00 C ATOM 268 CG LEU A 18 108.145 7.724 4.375 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.273 7.010 3.630 1.00 0.00 C ATOM 270 CD2 LEU A 18 107.616 6.818 5.490 1.00 0.00 C ATOM 0 H LEU A 18 109.927 11.402 5.079 1.00 0.00 H new ATOM 0 HA LEU A 18 108.793 9.645 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 18 109.675 8.867 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 18 108.040 9.333 5.812 1.00 0.00 H new ATOM 0 HG LEU A 18 107.339 7.952 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 18 108.894 6.084 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.649 7.654 2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 18 110.081 6.782 4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 18 107.238 5.891 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 18 108.422 6.591 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 18 106.810 7.326 6.020 1.00 0.00 H new ATOM 282 N SER A 19 106.320 10.299 4.322 1.00 0.00 N ATOM 283 CA SER A 19 105.029 11.039 4.396 1.00 0.00 C ATOM 284 C SER A 19 104.449 10.918 5.807 1.00 0.00 C ATOM 285 O SER A 19 103.788 11.812 6.295 1.00 0.00 O ATOM 286 CB SER A 19 104.042 10.451 3.387 1.00 0.00 C ATOM 287 OG SER A 19 102.720 10.594 3.888 1.00 0.00 O ATOM 0 H SER A 19 106.268 9.310 4.566 1.00 0.00 H new ATOM 0 HA SER A 19 105.202 12.090 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 19 104.137 10.960 2.428 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.266 9.399 3.213 1.00 0.00 H new ATOM 0 HG SER A 19 102.308 9.710 3.980 1.00 0.00 H new ATOM 293 N HIS A 20 104.690 9.817 6.466 1.00 0.00 N ATOM 294 CA HIS A 20 104.150 9.641 7.844 1.00 0.00 C ATOM 295 C HIS A 20 102.624 9.720 7.806 1.00 0.00 C ATOM 296 O HIS A 20 102.001 10.292 8.679 1.00 0.00 O ATOM 297 CB HIS A 20 104.696 10.746 8.750 1.00 0.00 C ATOM 298 CG HIS A 20 106.167 10.922 8.496 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.976 12.031 8.518 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 106.993 9.858 8.166 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 108.282 11.664 8.207 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 108.236 10.345 8.005 1.00 0.00 N flip ATOM 0 H HIS A 20 105.237 9.033 6.110 1.00 0.00 H new ATOM 0 HA HIS A 20 104.454 8.669 8.233 1.00 0.00 H new ATOM 0 HB2 HIS A 20 104.169 11.681 8.559 1.00 0.00 H new ATOM 0 HB3 HIS A 20 104.525 10.491 9.796 1.00 0.00 H new ATOM 0 HD1 HIS A 20 106.667 12.980 8.730 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.693 8.826 8.058 1.00 0.00 H new ATOM 0 HE1 HIS A 20 109.147 12.308 8.143 1.00 0.00 H new ATOM 310 N ALA A 21 102.017 9.151 6.801 1.00 0.00 N ATOM 311 CA ALA A 21 100.530 9.195 6.707 1.00 0.00 C ATOM 312 C ALA A 21 100.064 8.285 5.570 1.00 0.00 C ATOM 313 O ALA A 21 100.596 8.317 4.478 1.00 0.00 O ATOM 314 CB ALA A 21 100.080 10.630 6.430 1.00 0.00 C ATOM 0 H ALA A 21 102.486 8.658 6.041 1.00 0.00 H new ATOM 0 HA ALA A 21 100.096 8.853 7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.993 10.663 6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 21 100.412 11.278 7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 21 100.514 10.972 5.491 1.00 0.00 H new ATOM 320 N VAL A 22 99.073 7.474 5.816 1.00 0.00 N ATOM 321 CA VAL A 22 98.571 6.563 4.750 1.00 0.00 C ATOM 322 C VAL A 22 97.225 7.080 4.238 1.00 0.00 C ATOM 323 O VAL A 22 96.797 6.756 3.150 1.00 0.00 O ATOM 324 CB VAL A 22 98.390 5.151 5.319 1.00 0.00 C ATOM 325 CG1 VAL A 22 98.633 4.120 4.216 1.00 0.00 C ATOM 326 CG2 VAL A 22 99.391 4.922 6.455 1.00 0.00 C ATOM 0 H VAL A 22 98.588 7.403 6.711 1.00 0.00 H new ATOM 0 HA VAL A 22 99.290 6.532 3.931 1.00 0.00 H new ATOM 0 HB VAL A 22 97.375 5.045 5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 22 98.504 3.116 4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 22 97.921 4.279 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 22 99.648 4.229 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 22 99.261 3.918 6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 22 100.406 5.031 6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 22 99.220 5.654 7.244 1.00 0.00 H new ATOM 336 N PHE A 23 96.553 7.884 5.019 1.00 0.00 N ATOM 337 CA PHE A 23 95.234 8.421 4.579 1.00 0.00 C ATOM 338 C PHE A 23 95.409 9.850 4.061 1.00 0.00 C ATOM 339 O PHE A 23 94.556 10.695 4.245 1.00 0.00 O ATOM 340 CB PHE A 23 94.263 8.426 5.763 1.00 0.00 C ATOM 341 CG PHE A 23 94.561 7.255 6.668 1.00 0.00 C ATOM 342 CD1 PHE A 23 94.896 6.011 6.118 1.00 0.00 C ATOM 343 CD2 PHE A 23 94.501 7.411 8.059 1.00 0.00 C ATOM 344 CE1 PHE A 23 95.173 4.925 6.957 1.00 0.00 C ATOM 345 CE2 PHE A 23 94.777 6.325 8.897 1.00 0.00 C ATOM 346 CZ PHE A 23 95.114 5.081 8.346 1.00 0.00 C ATOM 0 H PHE A 23 96.861 8.191 5.942 1.00 0.00 H new ATOM 0 HA PHE A 23 94.836 7.792 3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 23 94.355 9.360 6.318 1.00 0.00 H new ATOM 0 HB3 PHE A 23 93.235 8.369 5.404 1.00 0.00 H new ATOM 0 HD1 PHE A 23 94.941 5.890 5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 23 94.242 8.369 8.484 1.00 0.00 H new ATOM 0 HE1 PHE A 23 95.432 3.967 6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 23 94.730 6.445 9.969 1.00 0.00 H new ATOM 0 HZ PHE A 23 95.328 4.243 8.993 1.00 0.00 H new ATOM 356 N SER A 24 96.508 10.128 3.413 1.00 0.00 N ATOM 357 CA SER A 24 96.731 11.504 2.885 1.00 0.00 C ATOM 358 C SER A 24 95.790 11.755 1.704 1.00 0.00 C ATOM 359 O SER A 24 95.446 10.852 0.969 1.00 0.00 O ATOM 360 CB SER A 24 98.181 11.643 2.420 1.00 0.00 C ATOM 361 OG SER A 24 98.975 12.118 3.499 1.00 0.00 O ATOM 0 H SER A 24 97.259 9.463 3.227 1.00 0.00 H new ATOM 0 HA SER A 24 96.531 12.232 3.671 1.00 0.00 H new ATOM 0 HB2 SER A 24 98.557 10.681 2.072 1.00 0.00 H new ATOM 0 HB3 SER A 24 98.241 12.332 1.578 1.00 0.00 H new ATOM 0 HG SER A 24 99.906 12.207 3.206 1.00 0.00 H new ATOM 367 N ASN A 25 95.371 12.976 1.518 1.00 0.00 N ATOM 368 CA ASN A 25 94.452 13.284 0.386 1.00 0.00 C ATOM 369 C ASN A 25 95.273 13.679 -0.844 1.00 0.00 C ATOM 370 O ASN A 25 95.212 14.799 -1.309 1.00 0.00 O ATOM 371 CB ASN A 25 93.531 14.442 0.777 1.00 0.00 C ATOM 372 CG ASN A 25 92.072 14.001 0.650 1.00 0.00 C ATOM 373 OD1 ASN A 25 91.369 13.893 1.635 1.00 0.00 O ATOM 374 ND2 ASN A 25 91.584 13.739 -0.532 1.00 0.00 N ATOM 0 H ASN A 25 95.625 13.774 2.101 1.00 0.00 H new ATOM 0 HA ASN A 25 93.852 12.404 0.156 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.739 14.756 1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.719 15.302 0.135 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.612 13.444 -0.629 1.00 0.00 H new ATOM 0 HD22 ASN A 25 92.174 13.830 -1.359 1.00 0.00 H new ATOM 381 N ARG A 26 96.042 12.766 -1.374 1.00 0.00 N ATOM 382 CA ARG A 26 96.867 13.091 -2.572 1.00 0.00 C ATOM 383 C ARG A 26 97.173 11.806 -3.344 1.00 0.00 C ATOM 384 O ARG A 26 97.135 10.720 -2.801 1.00 0.00 O ATOM 385 CB ARG A 26 98.178 13.742 -2.129 1.00 0.00 C ATOM 386 CG ARG A 26 97.930 14.599 -0.885 1.00 0.00 C ATOM 387 CD ARG A 26 99.259 15.162 -0.379 1.00 0.00 C ATOM 388 NE ARG A 26 99.750 16.203 -1.325 1.00 0.00 N ATOM 389 CZ ARG A 26 101.030 16.332 -1.547 1.00 0.00 C ATOM 390 NH1 ARG A 26 101.849 16.515 -0.549 1.00 0.00 N ATOM 391 NH2 ARG A 26 101.489 16.277 -2.767 1.00 0.00 N ATOM 0 H ARG A 26 96.134 11.810 -1.029 1.00 0.00 H new ATOM 0 HA ARG A 26 96.318 13.780 -3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.922 12.975 -1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.580 14.358 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 26 97.245 15.413 -1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 26 97.457 14.000 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 26 99.130 15.591 0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 26 99.994 14.362 -0.288 1.00 0.00 H new ATOM 0 HE ARG A 26 99.086 16.815 -1.799 1.00 0.00 H new ATOM 0 HH11 ARG A 26 101.489 16.557 0.405 1.00 0.00 H new ATOM 0 HH12 ARG A 26 102.849 16.616 -0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 26 100.848 16.133 -3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 26 102.489 16.378 -2.941 1.00 0.00 H new ATOM 405 N THR A 27 97.480 11.920 -4.609 1.00 0.00 N ATOM 406 CA THR A 27 97.791 10.706 -5.414 1.00 0.00 C ATOM 407 C THR A 27 99.286 10.394 -5.301 1.00 0.00 C ATOM 408 O THR A 27 100.125 11.204 -5.638 1.00 0.00 O ATOM 409 CB THR A 27 97.434 10.960 -6.881 1.00 0.00 C ATOM 410 OG1 THR A 27 97.517 12.352 -7.152 1.00 0.00 O ATOM 411 CG2 THR A 27 96.011 10.469 -7.154 1.00 0.00 C ATOM 0 H THR A 27 97.528 12.802 -5.118 1.00 0.00 H new ATOM 0 HA THR A 27 97.211 9.862 -5.041 1.00 0.00 H new ATOM 0 HB THR A 27 98.131 10.422 -7.524 1.00 0.00 H new ATOM 0 HG1 THR A 27 97.290 12.517 -8.091 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.758 10.650 -8.199 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.948 9.401 -6.945 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.312 11.006 -6.513 1.00 0.00 H new ATOM 419 N LEU A 28 99.625 9.227 -4.825 1.00 0.00 N ATOM 420 CA LEU A 28 101.065 8.870 -4.689 1.00 0.00 C ATOM 421 C LEU A 28 101.326 7.521 -5.364 1.00 0.00 C ATOM 422 O LEU A 28 100.813 6.500 -4.954 1.00 0.00 O ATOM 423 CB LEU A 28 101.427 8.775 -3.204 1.00 0.00 C ATOM 424 CG LEU A 28 101.271 10.150 -2.551 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.569 10.042 -1.053 1.00 0.00 C ATOM 426 CD2 LEU A 28 102.251 11.132 -3.195 1.00 0.00 C ATOM 0 H LEU A 28 98.968 8.507 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 28 101.675 9.637 -5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 28 100.782 8.050 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 28 102.452 8.421 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 28 100.251 10.506 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 28 101.458 11.022 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 28 100.872 9.341 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 28 102.589 9.686 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 28 102.141 12.112 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 28 103.271 10.775 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 28 102.040 11.210 -4.262 1.00 0.00 H new ATOM 438 N ALA A 29 102.128 7.509 -6.395 1.00 0.00 N ATOM 439 CA ALA A 29 102.425 6.225 -7.091 1.00 0.00 C ATOM 440 C ALA A 29 103.705 5.616 -6.499 1.00 0.00 C ATOM 441 O ALA A 29 104.052 4.483 -6.779 1.00 0.00 O ATOM 442 CB ALA A 29 102.630 6.489 -8.584 1.00 0.00 C ATOM 0 H ALA A 29 102.589 8.331 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 29 101.593 5.534 -6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.847 5.550 -9.093 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.725 6.928 -9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.464 7.177 -8.721 1.00 0.00 H new ATOM 448 N CYS A 30 104.403 6.361 -5.679 1.00 0.00 N ATOM 449 CA CYS A 30 105.651 5.829 -5.053 1.00 0.00 C ATOM 450 C CYS A 30 105.294 5.267 -3.677 1.00 0.00 C ATOM 451 O CYS A 30 104.640 5.917 -2.885 1.00 0.00 O ATOM 452 CB CYS A 30 106.674 6.956 -4.908 1.00 0.00 C ATOM 453 SG CYS A 30 108.040 6.405 -3.856 1.00 0.00 S ATOM 0 H CYS A 30 104.162 7.316 -5.416 1.00 0.00 H new ATOM 0 HA CYS A 30 106.083 5.045 -5.675 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.051 7.247 -5.888 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.201 7.837 -4.475 1.00 0.00 H new ATOM 0 HG CYS A 30 108.583 5.342 -4.371 1.00 0.00 H new ATOM 459 N PHE A 31 105.677 4.049 -3.396 1.00 0.00 N ATOM 460 CA PHE A 31 105.302 3.450 -2.085 1.00 0.00 C ATOM 461 C PHE A 31 106.522 2.882 -1.357 1.00 0.00 C ATOM 462 O PHE A 31 107.475 2.426 -1.961 1.00 0.00 O ATOM 463 CB PHE A 31 104.325 2.300 -2.332 1.00 0.00 C ATOM 464 CG PHE A 31 103.033 2.819 -2.912 1.00 0.00 C ATOM 465 CD1 PHE A 31 103.036 3.506 -4.127 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.828 2.592 -2.249 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.847 3.964 -4.680 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.634 3.058 -2.801 1.00 0.00 C ATOM 469 CZ PHE A 31 100.643 3.746 -4.021 1.00 0.00 C ATOM 0 H PHE A 31 106.227 3.450 -4.011 1.00 0.00 H new ATOM 0 HA PHE A 31 104.857 4.233 -1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.771 1.576 -3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 31 104.126 1.777 -1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.969 3.683 -4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.818 2.057 -1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.858 4.490 -5.623 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.700 2.888 -2.286 1.00 0.00 H new ATOM 0 HZ PHE A 31 99.718 4.106 -4.448 1.00 0.00 H new ATOM 479 N ALA A 32 106.464 2.874 -0.052 1.00 0.00 N ATOM 480 CA ALA A 32 107.571 2.305 0.761 1.00 0.00 C ATOM 481 C ALA A 32 106.951 1.353 1.785 1.00 0.00 C ATOM 482 O ALA A 32 106.367 1.778 2.763 1.00 0.00 O ATOM 483 CB ALA A 32 108.316 3.425 1.490 1.00 0.00 C ATOM 0 H ALA A 32 105.683 3.244 0.490 1.00 0.00 H new ATOM 0 HA ALA A 32 108.279 1.779 0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.125 2.998 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.729 4.122 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.625 3.954 2.147 1.00 0.00 H new ATOM 489 N ILE A 33 107.048 0.072 1.563 1.00 0.00 N ATOM 490 CA ILE A 33 106.437 -0.891 2.521 1.00 0.00 C ATOM 491 C ILE A 33 107.471 -1.324 3.563 1.00 0.00 C ATOM 492 O ILE A 33 108.650 -1.421 3.285 1.00 0.00 O ATOM 493 CB ILE A 33 105.922 -2.111 1.754 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.846 -1.653 0.764 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.320 -3.118 2.740 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.583 -2.749 -0.270 1.00 0.00 C ATOM 0 H ILE A 33 107.522 -0.348 0.763 1.00 0.00 H new ATOM 0 HA ILE A 33 105.605 -0.410 3.036 1.00 0.00 H new ATOM 0 HB ILE A 33 106.742 -2.586 1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.926 -1.418 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 33 105.166 -0.739 0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.953 -3.987 2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.084 -3.432 3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.494 -2.652 3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.817 -2.414 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 33 105.502 -2.963 -0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.242 -3.652 0.236 1.00 0.00 H new ATOM 508 N TYR A 34 107.029 -1.583 4.764 1.00 0.00 N ATOM 509 CA TYR A 34 107.967 -2.009 5.841 1.00 0.00 C ATOM 510 C TYR A 34 107.325 -3.153 6.624 1.00 0.00 C ATOM 511 O TYR A 34 106.464 -2.942 7.456 1.00 0.00 O ATOM 512 CB TYR A 34 108.234 -0.820 6.771 1.00 0.00 C ATOM 513 CG TYR A 34 109.012 -1.268 7.985 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.132 -2.093 7.834 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.625 -0.843 9.262 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.860 -2.493 8.956 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.354 -1.247 10.386 1.00 0.00 C ATOM 518 CZ TYR A 34 110.472 -2.074 10.233 1.00 0.00 C ATOM 519 OH TYR A 34 111.194 -2.472 11.339 1.00 0.00 O ATOM 0 H TYR A 34 106.051 -1.517 5.047 1.00 0.00 H new ATOM 0 HA TYR A 34 108.911 -2.346 5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.791 -0.050 6.237 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.290 -0.373 7.081 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.433 -2.420 6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 34 107.763 -0.203 9.379 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.726 -3.128 8.838 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.054 -0.921 11.371 1.00 0.00 H new ATOM 0 HH TYR A 34 111.544 -1.683 11.803 1.00 0.00 H new ATOM 529 N THR A 35 107.720 -4.366 6.350 1.00 0.00 N ATOM 530 CA THR A 35 107.111 -5.522 7.070 1.00 0.00 C ATOM 531 C THR A 35 108.133 -6.658 7.175 1.00 0.00 C ATOM 532 O THR A 35 109.244 -6.555 6.691 1.00 0.00 O ATOM 533 CB THR A 35 105.865 -6.017 6.305 1.00 0.00 C ATOM 534 OG1 THR A 35 106.111 -7.317 5.783 1.00 0.00 O ATOM 535 CG2 THR A 35 105.530 -5.067 5.150 1.00 0.00 C ATOM 0 H THR A 35 108.434 -4.607 5.663 1.00 0.00 H new ATOM 0 HA THR A 35 106.816 -5.206 8.071 1.00 0.00 H new ATOM 0 HB THR A 35 105.023 -6.046 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.729 -7.254 5.025 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.649 -5.432 4.622 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.330 -4.071 5.545 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.373 -5.021 4.460 1.00 0.00 H new ATOM 543 N THR A 36 107.763 -7.742 7.800 1.00 0.00 N ATOM 544 CA THR A 36 108.707 -8.885 7.932 1.00 0.00 C ATOM 545 C THR A 36 109.232 -9.266 6.546 1.00 0.00 C ATOM 546 O THR A 36 108.594 -9.020 5.541 1.00 0.00 O ATOM 547 CB THR A 36 107.980 -10.083 8.552 1.00 0.00 C ATOM 548 OG1 THR A 36 106.611 -10.048 8.176 1.00 0.00 O ATOM 549 CG2 THR A 36 108.090 -10.027 10.076 1.00 0.00 C ATOM 0 H THR A 36 106.847 -7.885 8.225 1.00 0.00 H new ATOM 0 HA THR A 36 109.540 -8.599 8.574 1.00 0.00 H new ATOM 0 HB THR A 36 108.437 -11.005 8.194 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.064 -9.816 8.955 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.571 -10.882 10.510 1.00 0.00 H new ATOM 0 HG22 THR A 36 109.140 -10.055 10.366 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.637 -9.105 10.440 1.00 0.00 H new ATOM 557 N LYS A 37 110.390 -9.863 6.483 1.00 0.00 N ATOM 558 CA LYS A 37 110.955 -10.255 5.168 1.00 0.00 C ATOM 559 C LYS A 37 110.010 -11.243 4.474 1.00 0.00 C ATOM 560 O LYS A 37 109.683 -11.096 3.314 1.00 0.00 O ATOM 561 CB LYS A 37 112.315 -10.917 5.393 1.00 0.00 C ATOM 562 CG LYS A 37 112.161 -12.099 6.350 1.00 0.00 C ATOM 563 CD LYS A 37 113.487 -12.344 7.073 1.00 0.00 C ATOM 564 CE LYS A 37 113.797 -13.843 7.083 1.00 0.00 C ATOM 565 NZ LYS A 37 115.045 -14.096 6.310 1.00 0.00 N ATOM 0 H LYS A 37 110.969 -10.096 7.290 1.00 0.00 H new ATOM 0 HA LYS A 37 111.072 -9.373 4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.726 -11.257 4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.019 -10.193 5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.372 -11.895 7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.865 -12.991 5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.290 -11.800 6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.431 -11.967 8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.914 -14.194 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 37 112.967 -14.400 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 115.257 -15.114 6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 114.917 -13.775 5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 115.834 -13.576 6.744 1.00 0.00 H new ATOM 579 N GLU A 38 109.576 -12.252 5.180 1.00 0.00 N ATOM 580 CA GLU A 38 108.663 -13.261 4.576 1.00 0.00 C ATOM 581 C GLU A 38 107.459 -12.572 3.924 1.00 0.00 C ATOM 582 O GLU A 38 106.857 -13.099 3.010 1.00 0.00 O ATOM 583 CB GLU A 38 108.162 -14.206 5.672 1.00 0.00 C ATOM 584 CG GLU A 38 108.984 -15.496 5.653 1.00 0.00 C ATOM 585 CD GLU A 38 108.048 -16.695 5.818 1.00 0.00 C ATOM 586 OE1 GLU A 38 107.387 -16.770 6.841 1.00 0.00 O ATOM 587 OE2 GLU A 38 108.008 -17.517 4.918 1.00 0.00 O ATOM 0 H GLU A 38 109.817 -12.421 6.157 1.00 0.00 H new ATOM 0 HA GLU A 38 109.209 -13.819 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.244 -13.725 6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.107 -14.433 5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 38 109.534 -15.576 4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 38 109.721 -15.483 6.456 1.00 0.00 H new ATOM 594 N LYS A 39 107.097 -11.408 4.386 1.00 0.00 N ATOM 595 CA LYS A 39 105.924 -10.707 3.790 1.00 0.00 C ATOM 596 C LYS A 39 106.339 -10.028 2.485 1.00 0.00 C ATOM 597 O LYS A 39 105.806 -10.309 1.430 1.00 0.00 O ATOM 598 CB LYS A 39 105.405 -9.652 4.769 1.00 0.00 C ATOM 599 CG LYS A 39 103.991 -10.027 5.219 1.00 0.00 C ATOM 600 CD LYS A 39 104.029 -10.542 6.660 1.00 0.00 C ATOM 601 CE LYS A 39 104.436 -12.018 6.667 1.00 0.00 C ATOM 602 NZ LYS A 39 105.919 -12.129 6.769 1.00 0.00 N ATOM 0 H LYS A 39 107.560 -10.912 5.148 1.00 0.00 H new ATOM 0 HA LYS A 39 105.137 -11.433 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.067 -9.584 5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.399 -8.671 4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 39 103.335 -9.160 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.580 -10.792 4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 39 104.736 -9.957 7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 39 103.051 -10.422 7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.965 -12.531 7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 39 104.087 -12.506 5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 106.309 -12.427 5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 106.319 -11.206 7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 106.165 -12.832 7.495 1.00 0.00 H new ATOM 616 N ALA A 40 107.283 -9.132 2.548 1.00 0.00 N ATOM 617 CA ALA A 40 107.727 -8.431 1.311 1.00 0.00 C ATOM 618 C ALA A 40 108.098 -9.460 0.239 1.00 0.00 C ATOM 619 O ALA A 40 108.093 -9.166 -0.939 1.00 0.00 O ATOM 620 CB ALA A 40 108.945 -7.564 1.629 1.00 0.00 C ATOM 0 H ALA A 40 107.767 -8.854 3.402 1.00 0.00 H new ATOM 0 HA ALA A 40 106.917 -7.802 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.272 -7.050 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 40 108.680 -6.829 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.753 -8.194 2.000 1.00 0.00 H new ATOM 626 N ALA A 41 108.422 -10.660 0.636 1.00 0.00 N ATOM 627 CA ALA A 41 108.794 -11.699 -0.367 1.00 0.00 C ATOM 628 C ALA A 41 107.585 -12.026 -1.242 1.00 0.00 C ATOM 629 O ALA A 41 107.673 -12.063 -2.453 1.00 0.00 O ATOM 630 CB ALA A 41 109.259 -12.964 0.357 1.00 0.00 C ATOM 0 H ALA A 41 108.445 -10.966 1.609 1.00 0.00 H new ATOM 0 HA ALA A 41 109.601 -11.322 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.531 -13.724 -0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.125 -12.731 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.453 -13.340 0.987 1.00 0.00 H new ATOM 636 N LEU A 42 106.457 -12.265 -0.637 1.00 0.00 N ATOM 637 CA LEU A 42 105.237 -12.591 -1.429 1.00 0.00 C ATOM 638 C LEU A 42 104.752 -11.342 -2.164 1.00 0.00 C ATOM 639 O LEU A 42 104.559 -11.351 -3.364 1.00 0.00 O ATOM 640 CB LEU A 42 104.136 -13.085 -0.488 1.00 0.00 C ATOM 641 CG LEU A 42 104.252 -14.600 -0.317 1.00 0.00 C ATOM 642 CD1 LEU A 42 104.935 -14.912 1.016 1.00 0.00 C ATOM 643 CD2 LEU A 42 102.855 -15.221 -0.331 1.00 0.00 C ATOM 0 H LEU A 42 106.325 -12.249 0.374 1.00 0.00 H new ATOM 0 HA LEU A 42 105.475 -13.369 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.222 -12.592 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.156 -12.828 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 42 104.843 -15.014 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 42 105.018 -15.992 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 42 105.930 -14.468 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 42 104.344 -14.499 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 42 102.936 -16.301 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.265 -14.807 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 42 102.367 -14.998 -1.280 1.00 0.00 H new ATOM 655 N LEU A 43 104.552 -10.265 -1.455 1.00 0.00 N ATOM 656 CA LEU A 43 104.078 -9.017 -2.116 1.00 0.00 C ATOM 657 C LEU A 43 105.059 -8.624 -3.220 1.00 0.00 C ATOM 658 O LEU A 43 104.734 -7.870 -4.114 1.00 0.00 O ATOM 659 CB LEU A 43 103.994 -7.891 -1.083 1.00 0.00 C ATOM 660 CG LEU A 43 103.250 -8.389 0.156 1.00 0.00 C ATOM 661 CD1 LEU A 43 102.943 -7.205 1.075 1.00 0.00 C ATOM 662 CD2 LEU A 43 101.940 -9.059 -0.270 1.00 0.00 C ATOM 0 H LEU A 43 104.696 -10.196 -0.448 1.00 0.00 H new ATOM 0 HA LEU A 43 103.092 -9.186 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 43 104.995 -7.559 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.478 -7.031 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 43 103.870 -9.111 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.412 -7.559 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 43 103.875 -6.728 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.322 -6.483 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.409 -9.414 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.319 -8.338 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.159 -9.902 -0.925 1.00 0.00 H new ATOM 674 N TYR A 44 106.261 -9.131 -3.164 1.00 0.00 N ATOM 675 CA TYR A 44 107.262 -8.785 -4.211 1.00 0.00 C ATOM 676 C TYR A 44 106.745 -9.238 -5.578 1.00 0.00 C ATOM 677 O TYR A 44 106.491 -8.437 -6.454 1.00 0.00 O ATOM 678 CB TYR A 44 108.588 -9.488 -3.907 1.00 0.00 C ATOM 679 CG TYR A 44 109.667 -8.951 -4.818 1.00 0.00 C ATOM 680 CD1 TYR A 44 110.414 -7.831 -4.435 1.00 0.00 C ATOM 681 CD2 TYR A 44 109.922 -9.575 -6.046 1.00 0.00 C ATOM 682 CE1 TYR A 44 111.413 -7.333 -5.277 1.00 0.00 C ATOM 683 CE2 TYR A 44 110.922 -9.078 -6.888 1.00 0.00 C ATOM 684 CZ TYR A 44 111.669 -7.956 -6.505 1.00 0.00 C ATOM 685 OH TYR A 44 112.654 -7.464 -7.337 1.00 0.00 O ATOM 0 H TYR A 44 106.592 -9.768 -2.440 1.00 0.00 H new ATOM 0 HA TYR A 44 107.419 -7.706 -4.220 1.00 0.00 H new ATOM 0 HB2 TYR A 44 108.865 -9.329 -2.865 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.481 -10.564 -4.047 1.00 0.00 H new ATOM 0 HD1 TYR A 44 110.218 -7.351 -3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 44 109.347 -10.440 -6.342 1.00 0.00 H new ATOM 0 HE1 TYR A 44 111.987 -6.468 -4.980 1.00 0.00 H new ATOM 0 HE2 TYR A 44 111.119 -9.560 -7.834 1.00 0.00 H new ATOM 0 HH TYR A 44 113.306 -8.171 -7.525 1.00 0.00 H new ATOM 695 N LYS A 45 106.587 -10.520 -5.765 1.00 0.00 N ATOM 696 CA LYS A 45 106.088 -11.025 -7.074 1.00 0.00 C ATOM 697 C LYS A 45 104.612 -10.655 -7.235 1.00 0.00 C ATOM 698 O LYS A 45 104.091 -10.611 -8.333 1.00 0.00 O ATOM 699 CB LYS A 45 106.241 -12.547 -7.126 1.00 0.00 C ATOM 700 CG LYS A 45 106.848 -12.953 -8.471 1.00 0.00 C ATOM 701 CD LYS A 45 105.727 -13.287 -9.458 1.00 0.00 C ATOM 702 CE LYS A 45 105.243 -14.718 -9.215 1.00 0.00 C ATOM 703 NZ LYS A 45 104.804 -15.319 -10.507 1.00 0.00 N ATOM 0 H LYS A 45 106.782 -11.239 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 45 106.666 -10.574 -7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.878 -12.887 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.271 -13.026 -6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 45 107.463 -12.143 -8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 45 107.502 -13.816 -8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 45 104.901 -12.587 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 45 106.086 -13.182 -10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 45 106.043 -15.315 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 45 104.418 -14.719 -8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 104.475 -16.292 -10.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 104.028 -14.754 -10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 105.603 -15.331 -11.173 1.00 0.00 H new ATOM 717 N LYS A 46 103.931 -10.389 -6.154 1.00 0.00 N ATOM 718 CA LYS A 46 102.491 -10.024 -6.255 1.00 0.00 C ATOM 719 C LYS A 46 102.355 -8.655 -6.922 1.00 0.00 C ATOM 720 O LYS A 46 101.962 -8.551 -8.066 1.00 0.00 O ATOM 721 CB LYS A 46 101.873 -9.972 -4.859 1.00 0.00 C ATOM 722 CG LYS A 46 102.011 -11.338 -4.186 1.00 0.00 C ATOM 723 CD LYS A 46 100.735 -12.151 -4.414 1.00 0.00 C ATOM 724 CE LYS A 46 100.598 -13.206 -3.315 1.00 0.00 C ATOM 725 NZ LYS A 46 99.655 -14.270 -3.762 1.00 0.00 N ATOM 0 H LYS A 46 104.309 -10.409 -5.207 1.00 0.00 H new ATOM 0 HA LYS A 46 101.972 -10.774 -6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.368 -9.208 -4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 46 100.821 -9.693 -4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 46 102.871 -11.870 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.189 -11.213 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 46 99.866 -11.493 -4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.767 -12.631 -5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 46 101.572 -13.640 -3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 46 100.234 -12.745 -2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 99.562 -14.987 -3.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 98.724 -13.849 -3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 100.020 -14.717 -4.627 1.00 0.00 H new ATOM 739 N ILE A 47 102.675 -7.601 -6.219 1.00 0.00 N ATOM 740 CA ILE A 47 102.558 -6.247 -6.828 1.00 0.00 C ATOM 741 C ILE A 47 103.376 -6.212 -8.124 1.00 0.00 C ATOM 742 O ILE A 47 103.111 -5.435 -9.020 1.00 0.00 O ATOM 743 CB ILE A 47 103.079 -5.187 -5.845 1.00 0.00 C ATOM 744 CG1 ILE A 47 102.056 -5.035 -4.705 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.264 -3.844 -6.570 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.063 -3.608 -4.138 1.00 0.00 C ATOM 0 H ILE A 47 103.010 -7.620 -5.256 1.00 0.00 H new ATOM 0 HA ILE A 47 101.513 -6.031 -7.051 1.00 0.00 H new ATOM 0 HB ILE A 47 104.043 -5.495 -5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 47 101.059 -5.278 -5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 47 102.285 -5.746 -3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 47 103.633 -3.098 -5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.982 -3.964 -7.381 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.308 -3.516 -6.978 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.330 -3.532 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 47 103.054 -3.376 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.810 -2.901 -4.928 1.00 0.00 H new ATOM 758 N MET A 48 104.374 -7.046 -8.226 1.00 0.00 N ATOM 759 CA MET A 48 105.218 -7.064 -9.455 1.00 0.00 C ATOM 760 C MET A 48 104.340 -6.940 -10.704 1.00 0.00 C ATOM 761 O MET A 48 104.744 -6.373 -11.700 1.00 0.00 O ATOM 762 CB MET A 48 105.998 -8.378 -9.513 1.00 0.00 C ATOM 763 CG MET A 48 107.359 -8.138 -10.170 1.00 0.00 C ATOM 764 SD MET A 48 108.065 -9.721 -10.689 1.00 0.00 S ATOM 765 CE MET A 48 109.358 -9.817 -9.426 1.00 0.00 C ATOM 0 H MET A 48 104.643 -7.719 -7.508 1.00 0.00 H new ATOM 0 HA MET A 48 105.909 -6.222 -9.423 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.133 -8.777 -8.508 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.436 -9.122 -10.078 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.248 -7.477 -11.030 1.00 0.00 H new ATOM 0 HG3 MET A 48 108.030 -7.640 -9.470 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.174 -10.442 -9.788 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.734 -8.816 -9.214 1.00 0.00 H new ATOM 0 HE3 MET A 48 108.945 -10.250 -8.515 1.00 0.00 H new ATOM 775 N GLU A 49 103.146 -7.470 -10.669 1.00 0.00 N ATOM 776 CA GLU A 49 102.263 -7.382 -11.867 1.00 0.00 C ATOM 777 C GLU A 49 100.924 -6.744 -11.485 1.00 0.00 C ATOM 778 O GLU A 49 100.059 -6.554 -12.318 1.00 0.00 O ATOM 779 CB GLU A 49 102.014 -8.788 -12.421 1.00 0.00 C ATOM 780 CG GLU A 49 102.883 -9.009 -13.660 1.00 0.00 C ATOM 781 CD GLU A 49 102.034 -9.610 -14.781 1.00 0.00 C ATOM 782 OE1 GLU A 49 101.399 -8.847 -15.491 1.00 0.00 O ATOM 783 OE2 GLU A 49 102.034 -10.823 -14.913 1.00 0.00 O ATOM 0 H GLU A 49 102.746 -7.957 -9.867 1.00 0.00 H new ATOM 0 HA GLU A 49 102.750 -6.768 -12.624 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.246 -9.536 -11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.961 -8.909 -12.676 1.00 0.00 H new ATOM 0 HG2 GLU A 49 103.317 -8.064 -13.986 1.00 0.00 H new ATOM 0 HG3 GLU A 49 103.712 -9.675 -13.421 1.00 0.00 H new ATOM 790 N LYS A 50 100.742 -6.413 -10.237 1.00 0.00 N ATOM 791 CA LYS A 50 99.455 -5.790 -9.817 1.00 0.00 C ATOM 792 C LYS A 50 99.518 -4.278 -10.025 1.00 0.00 C ATOM 793 O LYS A 50 98.506 -3.608 -10.077 1.00 0.00 O ATOM 794 CB LYS A 50 99.202 -6.078 -8.338 1.00 0.00 C ATOM 795 CG LYS A 50 97.790 -5.621 -7.979 1.00 0.00 C ATOM 796 CD LYS A 50 97.400 -6.176 -6.607 1.00 0.00 C ATOM 797 CE LYS A 50 97.689 -7.678 -6.557 1.00 0.00 C ATOM 798 NZ LYS A 50 97.184 -8.325 -7.801 1.00 0.00 N ATOM 0 H LYS A 50 101.426 -6.546 -9.492 1.00 0.00 H new ATOM 0 HA LYS A 50 98.648 -6.209 -10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.316 -7.143 -8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 50 99.935 -5.557 -7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 50 97.742 -4.532 -7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.083 -5.964 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 50 97.958 -5.662 -5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.342 -5.993 -6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 50 98.761 -7.849 -6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 50 97.211 -8.122 -5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 96.889 -9.300 -7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 96.371 -7.789 -8.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 97.939 -8.339 -8.516 1.00 0.00 H new ATOM 812 N TYR A 51 100.696 -3.734 -10.136 1.00 0.00 N ATOM 813 CA TYR A 51 100.811 -2.263 -10.330 1.00 0.00 C ATOM 814 C TYR A 51 102.006 -1.946 -11.216 1.00 0.00 C ATOM 815 O TYR A 51 102.529 -0.856 -11.166 1.00 0.00 O ATOM 816 CB TYR A 51 101.041 -1.588 -8.981 1.00 0.00 C ATOM 817 CG TYR A 51 99.836 -1.766 -8.103 1.00 0.00 C ATOM 818 CD1 TYR A 51 98.786 -0.848 -8.176 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.773 -2.839 -7.211 1.00 0.00 C ATOM 820 CE1 TYR A 51 97.667 -1.001 -7.355 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.656 -2.997 -6.388 1.00 0.00 C ATOM 822 CZ TYR A 51 97.600 -2.076 -6.457 1.00 0.00 C ATOM 823 OH TYR A 51 96.495 -2.228 -5.644 1.00 0.00 O ATOM 0 H TYR A 51 101.580 -4.241 -10.101 1.00 0.00 H new ATOM 0 HA TYR A 51 99.892 -1.902 -10.792 1.00 0.00 H new ATOM 0 HB2 TYR A 51 101.919 -2.015 -8.497 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.241 -0.526 -9.126 1.00 0.00 H new ATOM 0 HD1 TYR A 51 98.840 -0.020 -8.867 1.00 0.00 H new ATOM 0 HD2 TYR A 51 100.588 -3.546 -7.158 1.00 0.00 H new ATOM 0 HE1 TYR A 51 96.854 -0.292 -7.411 1.00 0.00 H new ATOM 0 HE2 TYR A 51 98.605 -3.827 -5.699 1.00 0.00 H new ATOM 0 HH TYR A 51 96.608 -3.024 -5.083 1.00 0.00 H new ATOM 833 N SER A 52 102.468 -2.880 -12.004 1.00 0.00 N ATOM 834 CA SER A 52 103.664 -2.585 -12.852 1.00 0.00 C ATOM 835 C SER A 52 104.686 -1.862 -11.970 1.00 0.00 C ATOM 836 O SER A 52 105.185 -0.808 -12.306 1.00 0.00 O ATOM 837 CB SER A 52 103.259 -1.684 -14.021 1.00 0.00 C ATOM 838 OG SER A 52 101.933 -1.214 -13.815 1.00 0.00 O ATOM 0 H SER A 52 102.079 -3.818 -12.098 1.00 0.00 H new ATOM 0 HA SER A 52 104.087 -3.505 -13.256 1.00 0.00 H new ATOM 0 HB2 SER A 52 103.947 -0.842 -14.102 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.320 -2.236 -14.959 1.00 0.00 H new ATOM 0 HG SER A 52 101.500 -1.065 -14.682 1.00 0.00 H new ATOM 844 N VAL A 53 104.936 -2.431 -10.818 1.00 0.00 N ATOM 845 CA VAL A 53 105.870 -1.838 -9.808 1.00 0.00 C ATOM 846 C VAL A 53 106.835 -0.817 -10.405 1.00 0.00 C ATOM 847 O VAL A 53 107.068 0.222 -9.821 1.00 0.00 O ATOM 848 CB VAL A 53 106.684 -2.958 -9.164 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.758 -3.847 -8.337 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.353 -3.795 -10.257 1.00 0.00 C ATOM 0 H VAL A 53 104.517 -3.313 -10.525 1.00 0.00 H new ATOM 0 HA VAL A 53 105.254 -1.315 -9.077 1.00 0.00 H new ATOM 0 HB VAL A 53 107.448 -2.527 -8.517 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.337 -4.647 -7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.280 -3.251 -7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.994 -4.278 -8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.934 -4.595 -9.798 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.589 -4.227 -10.904 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.013 -3.160 -10.849 1.00 0.00 H new ATOM 860 N THR A 54 107.432 -1.115 -11.524 1.00 0.00 N ATOM 861 CA THR A 54 108.425 -0.171 -12.125 1.00 0.00 C ATOM 862 C THR A 54 109.788 -0.437 -11.479 1.00 0.00 C ATOM 863 O THR A 54 110.812 -0.439 -12.132 1.00 0.00 O ATOM 864 CB THR A 54 108.000 1.279 -11.872 1.00 0.00 C ATOM 865 OG1 THR A 54 106.582 1.352 -11.827 1.00 0.00 O ATOM 866 CG2 THR A 54 108.522 2.168 -12.997 1.00 0.00 C ATOM 0 H THR A 54 107.277 -1.973 -12.053 1.00 0.00 H new ATOM 0 HA THR A 54 108.481 -0.326 -13.203 1.00 0.00 H new ATOM 0 HB THR A 54 108.413 1.620 -10.923 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.287 1.404 -10.894 1.00 0.00 H new ATOM 0 HG21 THR A 54 108.219 3.199 -12.816 1.00 0.00 H new ATOM 0 HG22 THR A 54 109.610 2.110 -13.032 1.00 0.00 H new ATOM 0 HG23 THR A 54 108.110 1.831 -13.948 1.00 0.00 H new ATOM 874 N PHE A 55 109.793 -0.684 -10.199 1.00 0.00 N ATOM 875 CA PHE A 55 111.057 -0.983 -9.480 1.00 0.00 C ATOM 876 C PHE A 55 110.696 -1.441 -8.072 1.00 0.00 C ATOM 877 O PHE A 55 110.059 -0.723 -7.324 1.00 0.00 O ATOM 878 CB PHE A 55 111.935 0.267 -9.395 1.00 0.00 C ATOM 879 CG PHE A 55 113.052 0.014 -8.407 1.00 0.00 C ATOM 880 CD1 PHE A 55 113.989 -0.997 -8.655 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.143 0.780 -7.239 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.016 -1.239 -7.739 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.172 0.540 -6.323 1.00 0.00 C ATOM 884 CZ PHE A 55 115.109 -0.470 -6.574 1.00 0.00 C ATOM 0 H PHE A 55 108.958 -0.691 -9.613 1.00 0.00 H new ATOM 0 HA PHE A 55 111.611 -1.756 -10.013 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.346 0.506 -10.376 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.340 1.125 -9.081 1.00 0.00 H new ATOM 0 HD1 PHE A 55 113.918 -1.590 -9.555 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.418 1.557 -7.045 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.738 -2.019 -7.930 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.244 1.133 -5.423 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.904 -0.656 -5.867 1.00 0.00 H new ATOM 894 N ILE A 56 111.085 -2.627 -7.701 1.00 0.00 N ATOM 895 CA ILE A 56 110.748 -3.111 -6.339 1.00 0.00 C ATOM 896 C ILE A 56 111.990 -3.732 -5.699 1.00 0.00 C ATOM 897 O ILE A 56 112.501 -4.735 -6.156 1.00 0.00 O ATOM 898 CB ILE A 56 109.627 -4.147 -6.428 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.403 -4.769 -5.049 1.00 0.00 C ATOM 900 CG2 ILE A 56 110.015 -5.239 -7.425 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.209 -5.720 -5.110 1.00 0.00 C ATOM 0 H ILE A 56 111.618 -3.277 -8.279 1.00 0.00 H new ATOM 0 HA ILE A 56 110.411 -2.276 -5.725 1.00 0.00 H new ATOM 0 HB ILE A 56 108.710 -3.663 -6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.296 -5.308 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.223 -3.988 -4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.215 -5.976 -7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.176 -4.795 -8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.932 -5.726 -7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.047 -6.165 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.318 -5.167 -5.409 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.408 -6.508 -5.837 1.00 0.00 H new ATOM 913 N SER A 57 112.492 -3.131 -4.652 1.00 0.00 N ATOM 914 CA SER A 57 113.716 -3.681 -4.000 1.00 0.00 C ATOM 915 C SER A 57 113.494 -3.881 -2.502 1.00 0.00 C ATOM 916 O SER A 57 113.193 -2.954 -1.779 1.00 0.00 O ATOM 917 CB SER A 57 114.861 -2.697 -4.184 1.00 0.00 C ATOM 918 OG SER A 57 116.100 -3.378 -4.026 1.00 0.00 O ATOM 0 H SER A 57 112.110 -2.288 -4.223 1.00 0.00 H new ATOM 0 HA SER A 57 113.947 -4.642 -4.459 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.808 -2.241 -5.173 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.782 -1.890 -3.456 1.00 0.00 H new ATOM 0 HG SER A 57 115.963 -4.340 -4.155 1.00 0.00 H new ATOM 924 N ARG A 58 113.676 -5.080 -2.022 1.00 0.00 N ATOM 925 CA ARG A 58 113.513 -5.326 -0.563 1.00 0.00 C ATOM 926 C ARG A 58 114.858 -5.060 0.119 1.00 0.00 C ATOM 927 O ARG A 58 115.884 -5.551 -0.310 1.00 0.00 O ATOM 928 CB ARG A 58 113.091 -6.779 -0.330 1.00 0.00 C ATOM 929 CG ARG A 58 111.726 -7.021 -0.975 1.00 0.00 C ATOM 930 CD ARG A 58 111.320 -8.483 -0.778 1.00 0.00 C ATOM 931 NE ARG A 58 112.419 -9.371 -1.253 1.00 0.00 N ATOM 932 CZ ARG A 58 112.405 -10.640 -0.957 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.064 -11.027 0.242 1.00 0.00 N ATOM 934 NH2 ARG A 58 112.733 -11.524 -1.860 1.00 0.00 N ATOM 0 H ARG A 58 113.930 -5.898 -2.576 1.00 0.00 H new ATOM 0 HA ARG A 58 112.747 -4.669 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 58 113.831 -7.457 -0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 58 113.043 -6.988 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 58 110.980 -6.362 -0.530 1.00 0.00 H new ATOM 0 HG3 ARG A 58 111.767 -6.784 -2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.112 -8.675 0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 58 110.403 -8.695 -1.328 1.00 0.00 H new ATOM 0 HE ARG A 58 113.182 -8.985 -1.810 1.00 0.00 H new ATOM 0 HH11 ARG A 58 111.808 -10.336 0.947 1.00 0.00 H new ATOM 0 HH12 ARG A 58 112.053 -12.020 0.473 1.00 0.00 H new ATOM 0 HH21 ARG A 58 113.000 -11.221 -2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 58 112.722 -12.517 -1.629 1.00 0.00 H new ATOM 948 N HIS A 59 114.874 -4.275 1.161 1.00 0.00 N ATOM 949 CA HIS A 59 116.168 -3.977 1.841 1.00 0.00 C ATOM 950 C HIS A 59 116.117 -4.438 3.298 1.00 0.00 C ATOM 951 O HIS A 59 115.091 -4.856 3.797 1.00 0.00 O ATOM 952 CB HIS A 59 116.431 -2.470 1.802 1.00 0.00 C ATOM 953 CG HIS A 59 116.448 -1.992 0.376 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.627 -1.804 -0.328 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.437 -1.653 -0.489 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.300 -1.370 -1.559 1.00 0.00 C ATOM 957 NE2 HIS A 59 115.978 -1.260 -1.710 1.00 0.00 N ATOM 0 H HIS A 59 114.053 -3.829 1.570 1.00 0.00 H new ATOM 0 HA HIS A 59 116.967 -4.507 1.324 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.659 -1.942 2.363 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.384 -2.245 2.282 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.571 -1.965 0.023 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.383 -1.686 -0.257 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.019 -1.139 -2.331 1.00 0.00 H new ATOM 965 N ASN A 60 117.224 -4.353 3.987 1.00 0.00 N ATOM 966 CA ASN A 60 117.256 -4.772 5.417 1.00 0.00 C ATOM 967 C ASN A 60 117.472 -3.535 6.289 1.00 0.00 C ATOM 968 O ASN A 60 118.373 -2.755 6.060 1.00 0.00 O ATOM 969 CB ASN A 60 118.409 -5.756 5.637 1.00 0.00 C ATOM 970 CG ASN A 60 117.893 -7.189 5.508 1.00 0.00 C ATOM 971 OD1 ASN A 60 117.022 -7.602 6.247 1.00 0.00 O ATOM 972 ND2 ASN A 60 118.399 -7.973 4.596 1.00 0.00 N ATOM 0 H ASN A 60 118.111 -4.010 3.618 1.00 0.00 H new ATOM 0 HA ASN A 60 116.315 -5.255 5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.198 -5.576 4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.847 -5.604 6.624 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.063 -8.932 4.504 1.00 0.00 H new ATOM 0 HD22 ASN A 60 119.130 -7.627 3.975 1.00 0.00 H new ATOM 979 N SER A 61 116.651 -3.344 7.285 1.00 0.00 N ATOM 980 CA SER A 61 116.819 -2.150 8.160 1.00 0.00 C ATOM 981 C SER A 61 117.383 -2.580 9.516 1.00 0.00 C ATOM 982 O SER A 61 118.500 -2.252 9.865 1.00 0.00 O ATOM 983 CB SER A 61 115.465 -1.462 8.347 1.00 0.00 C ATOM 984 OG SER A 61 115.149 -1.393 9.733 1.00 0.00 O ATOM 0 H SER A 61 115.875 -3.959 7.530 1.00 0.00 H new ATOM 0 HA SER A 61 117.514 -1.451 7.695 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.494 -0.459 7.920 1.00 0.00 H new ATOM 0 HB3 SER A 61 114.690 -2.013 7.814 1.00 0.00 H new ATOM 0 HG SER A 61 115.734 -0.739 10.170 1.00 0.00 H new ATOM 990 N TYR A 62 116.623 -3.308 10.288 1.00 0.00 N ATOM 991 CA TYR A 62 117.130 -3.747 11.620 1.00 0.00 C ATOM 992 C TYR A 62 116.413 -5.026 12.058 1.00 0.00 C ATOM 993 O TYR A 62 117.037 -6.006 12.414 1.00 0.00 O ATOM 994 CB TYR A 62 116.872 -2.646 12.650 1.00 0.00 C ATOM 995 CG TYR A 62 117.432 -1.339 12.144 1.00 0.00 C ATOM 996 CD1 TYR A 62 118.812 -1.111 12.169 1.00 0.00 C ATOM 997 CD2 TYR A 62 116.569 -0.353 11.649 1.00 0.00 C ATOM 998 CE1 TYR A 62 119.330 0.102 11.700 1.00 0.00 C ATOM 999 CE2 TYR A 62 117.086 0.859 11.182 1.00 0.00 C ATOM 1000 CZ TYR A 62 118.467 1.087 11.207 1.00 0.00 C ATOM 1001 OH TYR A 62 118.976 2.283 10.744 1.00 0.00 O ATOM 0 H TYR A 62 115.679 -3.616 10.056 1.00 0.00 H new ATOM 0 HA TYR A 62 118.200 -3.942 11.547 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.802 -2.548 12.833 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.335 -2.908 13.601 1.00 0.00 H new ATOM 0 HD1 TYR A 62 119.478 -1.871 12.550 1.00 0.00 H new ATOM 0 HD2 TYR A 62 115.504 -0.529 11.628 1.00 0.00 H new ATOM 0 HE1 TYR A 62 120.395 0.278 11.719 1.00 0.00 H new ATOM 0 HE2 TYR A 62 116.420 1.619 10.802 1.00 0.00 H new ATOM 0 HH TYR A 62 118.493 2.553 9.935 1.00 0.00 H new ATOM 1011 N ASN A 63 115.108 -5.025 12.045 1.00 0.00 N ATOM 1012 CA ASN A 63 114.361 -6.242 12.474 1.00 0.00 C ATOM 1013 C ASN A 63 113.516 -6.776 11.317 1.00 0.00 C ATOM 1014 O ASN A 63 113.084 -7.911 11.330 1.00 0.00 O ATOM 1015 CB ASN A 63 113.448 -5.888 13.650 1.00 0.00 C ATOM 1016 CG ASN A 63 114.296 -5.391 14.822 1.00 0.00 C ATOM 1017 OD1 ASN A 63 115.481 -5.651 14.883 1.00 0.00 O ATOM 1018 ND2 ASN A 63 113.735 -4.680 15.762 1.00 0.00 N ATOM 0 H ASN A 63 114.528 -4.237 11.757 1.00 0.00 H new ATOM 0 HA ASN A 63 115.073 -7.009 12.777 1.00 0.00 H new ATOM 0 HB2 ASN A 63 112.735 -5.120 13.352 1.00 0.00 H new ATOM 0 HB3 ASN A 63 112.869 -6.761 13.951 1.00 0.00 H new ATOM 0 HD21 ASN A 63 114.292 -4.343 16.547 1.00 0.00 H new ATOM 0 HD22 ASN A 63 112.740 -4.461 15.711 1.00 0.00 H new ATOM 1025 N HIS A 64 113.268 -5.973 10.318 1.00 0.00 N ATOM 1026 CA HIS A 64 112.439 -6.455 9.178 1.00 0.00 C ATOM 1027 C HIS A 64 112.960 -5.867 7.865 1.00 0.00 C ATOM 1028 O HIS A 64 113.938 -5.144 7.841 1.00 0.00 O ATOM 1029 CB HIS A 64 110.986 -6.039 9.407 1.00 0.00 C ATOM 1030 CG HIS A 64 110.489 -6.706 10.659 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.534 -8.012 11.076 1.00 0.00 N flip ATOM 1032 CD2 HIS A 64 109.872 -6.005 11.682 1.00 0.00 C flip ATOM 1033 CE1 HIS A 64 109.959 -8.124 12.337 1.00 0.00 C flip ATOM 1034 NE2 HIS A 64 109.578 -6.887 12.656 1.00 0.00 N flip ATOM 0 H HIS A 64 113.601 -5.012 10.242 1.00 0.00 H new ATOM 0 HA HIS A 64 112.498 -7.542 9.115 1.00 0.00 H new ATOM 0 HB2 HIS A 64 110.913 -4.956 9.501 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.371 -6.327 8.555 1.00 0.00 H new ATOM 0 HD1 HIS A 64 110.930 -8.785 10.541 1.00 0.00 H new ATOM 0 HD2 HIS A 64 109.665 -4.945 11.696 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.846 -9.020 12.930 1.00 0.00 H new ATOM 1042 N ASN A 65 112.327 -6.185 6.765 1.00 0.00 N ATOM 1043 CA ASN A 65 112.802 -5.658 5.453 1.00 0.00 C ATOM 1044 C ASN A 65 111.853 -4.569 4.943 1.00 0.00 C ATOM 1045 O ASN A 65 110.688 -4.533 5.287 1.00 0.00 O ATOM 1046 CB ASN A 65 112.848 -6.798 4.432 1.00 0.00 C ATOM 1047 CG ASN A 65 113.775 -7.916 4.925 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.528 -7.724 5.974 1.00 0.00 O flip ATOM 1049 ND2 ASN A 65 113.819 -8.979 4.339 1.00 0.00 N flip ATOM 0 H ASN A 65 111.504 -6.785 6.720 1.00 0.00 H new ATOM 0 HA ASN A 65 113.797 -5.234 5.585 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.845 -7.192 4.271 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.200 -6.421 3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 65 113.233 -9.134 3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.442 -9.717 4.667 1.00 0.00 H new ATOM 1056 N ILE A 66 112.346 -3.690 4.112 1.00 0.00 N ATOM 1057 CA ILE A 66 111.482 -2.609 3.557 1.00 0.00 C ATOM 1058 C ILE A 66 111.264 -2.874 2.066 1.00 0.00 C ATOM 1059 O ILE A 66 112.165 -2.731 1.263 1.00 0.00 O ATOM 1060 CB ILE A 66 112.170 -1.254 3.746 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.096 -0.848 5.220 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.467 -0.197 2.893 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.252 -1.495 5.984 1.00 0.00 C ATOM 0 H ILE A 66 113.315 -3.675 3.793 1.00 0.00 H new ATOM 0 HA ILE A 66 110.523 -2.595 4.075 1.00 0.00 H new ATOM 0 HB ILE A 66 113.213 -1.332 3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.146 0.237 5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.143 -1.161 5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 66 111.958 0.766 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.517 -0.485 1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.424 -0.118 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.201 -1.207 7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.181 -2.580 5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.200 -1.160 5.562 1.00 0.00 H new ATOM 1075 N LEU A 67 110.081 -3.275 1.692 1.00 0.00 N ATOM 1076 CA LEU A 67 109.812 -3.568 0.254 1.00 0.00 C ATOM 1077 C LEU A 67 109.498 -2.276 -0.498 1.00 0.00 C ATOM 1078 O LEU A 67 108.394 -1.769 -0.462 1.00 0.00 O ATOM 1079 CB LEU A 67 108.622 -4.527 0.149 1.00 0.00 C ATOM 1080 CG LEU A 67 108.257 -4.743 -1.322 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.013 -5.955 -1.868 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.751 -4.995 -1.438 1.00 0.00 C ATOM 0 H LEU A 67 109.288 -3.413 2.319 1.00 0.00 H new ATOM 0 HA LEU A 67 110.696 -4.026 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.870 -5.481 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.767 -4.120 0.689 1.00 0.00 H new ATOM 0 HG LEU A 67 108.529 -3.857 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.751 -6.106 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.086 -5.783 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.742 -6.842 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.487 -5.149 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.485 -5.882 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.207 -4.134 -1.050 1.00 0.00 H new ATOM 1094 N PHE A 68 110.464 -1.761 -1.197 1.00 0.00 N ATOM 1095 CA PHE A 68 110.251 -0.520 -1.987 1.00 0.00 C ATOM 1096 C PHE A 68 109.536 -0.903 -3.284 1.00 0.00 C ATOM 1097 O PHE A 68 109.811 -1.936 -3.853 1.00 0.00 O ATOM 1098 CB PHE A 68 111.622 0.075 -2.325 1.00 0.00 C ATOM 1099 CG PHE A 68 111.610 1.571 -2.140 1.00 0.00 C ATOM 1100 CD1 PHE A 68 110.920 2.147 -1.067 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.298 2.386 -3.047 1.00 0.00 C ATOM 1102 CE1 PHE A 68 110.918 3.535 -0.904 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.296 3.771 -2.883 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.606 4.348 -1.812 1.00 0.00 C ATOM 0 H PHE A 68 111.405 -2.151 -1.256 1.00 0.00 H new ATOM 0 HA PHE A 68 109.658 0.204 -1.429 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.385 -0.370 -1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 68 111.886 -0.168 -3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.390 1.520 -0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 68 112.831 1.942 -3.875 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.385 3.981 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 68 112.828 4.398 -3.583 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.604 5.421 -1.686 1.00 0.00 H new ATOM 1114 N PHE A 69 108.627 -0.095 -3.764 1.00 0.00 N ATOM 1115 CA PHE A 69 107.931 -0.459 -5.035 1.00 0.00 C ATOM 1116 C PHE A 69 107.158 0.743 -5.584 1.00 0.00 C ATOM 1117 O PHE A 69 106.349 1.346 -4.905 1.00 0.00 O ATOM 1118 CB PHE A 69 106.988 -1.650 -4.797 1.00 0.00 C ATOM 1119 CG PHE A 69 105.666 -1.197 -4.219 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.556 -0.927 -2.850 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.542 -1.072 -5.049 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.324 -0.528 -2.312 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.314 -0.676 -4.509 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.204 -0.404 -3.141 1.00 0.00 C ATOM 0 H PHE A 69 108.339 0.787 -3.340 1.00 0.00 H new ATOM 0 HA PHE A 69 108.677 -0.750 -5.775 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.816 -2.174 -5.737 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.460 -2.360 -4.118 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.419 -1.026 -2.209 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.625 -1.282 -6.105 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.240 -0.316 -1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.449 -0.580 -5.149 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.255 -0.099 -2.725 1.00 0.00 H new ATOM 1134 N LEU A 70 107.415 1.093 -6.819 1.00 0.00 N ATOM 1135 CA LEU A 70 106.712 2.257 -7.439 1.00 0.00 C ATOM 1136 C LEU A 70 105.527 1.769 -8.263 1.00 0.00 C ATOM 1137 O LEU A 70 105.280 0.588 -8.376 1.00 0.00 O ATOM 1138 CB LEU A 70 107.660 2.992 -8.385 1.00 0.00 C ATOM 1139 CG LEU A 70 108.968 3.312 -7.677 1.00 0.00 C ATOM 1140 CD1 LEU A 70 110.128 3.107 -8.654 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.934 4.769 -7.212 1.00 0.00 C ATOM 0 H LEU A 70 108.084 0.621 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 70 106.377 2.919 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 70 107.855 2.378 -9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.194 3.913 -8.736 1.00 0.00 H new ATOM 0 HG LEU A 70 109.102 2.657 -6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 70 111.069 3.334 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 70 110.139 2.071 -8.994 1.00 0.00 H new ATOM 0 HD13 LEU A 70 110.003 3.769 -9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.867 5.010 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 70 108.812 5.424 -8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 70 108.099 4.913 -6.527 1.00 0.00 H new ATOM 1153 N THR A 71 104.804 2.676 -8.857 1.00 0.00 N ATOM 1154 CA THR A 71 103.647 2.266 -9.701 1.00 0.00 C ATOM 1155 C THR A 71 103.399 3.327 -10.785 1.00 0.00 C ATOM 1156 O THR A 71 103.624 4.500 -10.561 1.00 0.00 O ATOM 1157 CB THR A 71 102.396 2.146 -8.836 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.197 3.363 -8.131 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.538 0.994 -7.835 1.00 0.00 C ATOM 0 H THR A 71 104.963 3.682 -8.795 1.00 0.00 H new ATOM 0 HA THR A 71 103.869 1.305 -10.165 1.00 0.00 H new ATOM 0 HB THR A 71 101.541 1.943 -9.481 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.237 3.534 -8.038 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.635 0.926 -7.228 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.684 0.059 -8.375 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.396 1.177 -7.189 1.00 0.00 H new ATOM 1167 N PRO A 72 102.929 2.879 -11.925 1.00 0.00 N ATOM 1168 CA PRO A 72 102.622 3.761 -13.065 1.00 0.00 C ATOM 1169 C PRO A 72 101.279 4.463 -12.835 1.00 0.00 C ATOM 1170 O PRO A 72 101.232 5.571 -12.344 1.00 0.00 O ATOM 1171 CB PRO A 72 102.544 2.802 -14.254 1.00 0.00 C ATOM 1172 CG PRO A 72 102.246 1.404 -13.665 1.00 0.00 C ATOM 1173 CD PRO A 72 102.662 1.452 -12.183 1.00 0.00 C ATOM 0 HA PRO A 72 103.360 4.549 -13.215 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.761 3.106 -14.948 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.480 2.797 -14.812 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.188 1.160 -13.763 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.801 0.633 -14.198 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.872 1.072 -11.536 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.546 0.842 -11.998 1.00 0.00 H new ATOM 1181 N HIS A 73 100.188 3.822 -13.173 1.00 0.00 N ATOM 1182 CA HIS A 73 98.858 4.461 -12.950 1.00 0.00 C ATOM 1183 C HIS A 73 98.770 4.885 -11.483 1.00 0.00 C ATOM 1184 O HIS A 73 98.370 4.126 -10.634 1.00 0.00 O ATOM 1185 CB HIS A 73 97.740 3.459 -13.275 1.00 0.00 C ATOM 1186 CG HIS A 73 97.847 2.262 -12.369 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.043 2.109 -11.251 1.00 0.00 N ATOM 1188 CD2 HIS A 73 98.669 1.162 -12.392 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.399 0.959 -10.646 1.00 0.00 C ATOM 1190 NE2 HIS A 73 98.383 0.340 -11.305 1.00 0.00 N ATOM 0 H HIS A 73 100.162 2.892 -13.590 1.00 0.00 H new ATOM 0 HA HIS A 73 98.743 5.330 -13.597 1.00 0.00 H new ATOM 0 HB2 HIS A 73 96.767 3.934 -13.151 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.812 3.146 -14.316 1.00 0.00 H new ATOM 0 HD1 HIS A 73 96.313 2.751 -10.942 1.00 0.00 H new ATOM 0 HD2 HIS A 73 99.423 0.964 -13.140 1.00 0.00 H new ATOM 0 HE1 HIS A 73 96.945 0.584 -9.741 1.00 0.00 H new ATOM 1198 N ARG A 74 99.176 6.086 -11.183 1.00 0.00 N ATOM 1199 CA ARG A 74 99.164 6.574 -9.769 1.00 0.00 C ATOM 1200 C ARG A 74 97.907 6.117 -9.017 1.00 0.00 C ATOM 1201 O ARG A 74 96.817 6.086 -9.551 1.00 0.00 O ATOM 1202 CB ARG A 74 99.220 8.102 -9.770 1.00 0.00 C ATOM 1203 CG ARG A 74 100.287 8.569 -10.760 1.00 0.00 C ATOM 1204 CD ARG A 74 100.988 9.811 -10.208 1.00 0.00 C ATOM 1205 NE ARG A 74 100.423 11.028 -10.853 1.00 0.00 N ATOM 1206 CZ ARG A 74 100.789 12.213 -10.447 1.00 0.00 C ATOM 1207 NH1 ARG A 74 100.382 12.660 -9.291 1.00 0.00 N ATOM 1208 NH2 ARG A 74 101.560 12.950 -11.198 1.00 0.00 N ATOM 0 H ARG A 74 99.521 6.762 -11.864 1.00 0.00 H new ATOM 0 HA ARG A 74 100.031 6.154 -9.259 1.00 0.00 H new ATOM 0 HB2 ARG A 74 98.248 8.513 -10.045 1.00 0.00 H new ATOM 0 HB3 ARG A 74 99.450 8.469 -8.770 1.00 0.00 H new ATOM 0 HG2 ARG A 74 101.013 7.774 -10.930 1.00 0.00 H new ATOM 0 HG3 ARG A 74 99.830 8.795 -11.724 1.00 0.00 H new ATOM 0 HD2 ARG A 74 100.857 9.865 -9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 74 102.060 9.751 -10.397 1.00 0.00 H new ATOM 0 HE ARG A 74 99.749 10.936 -11.613 1.00 0.00 H new ATOM 0 HH11 ARG A 74 99.778 12.083 -8.705 1.00 0.00 H new ATOM 0 HH12 ARG A 74 100.668 13.586 -8.973 1.00 0.00 H new ATOM 0 HH21 ARG A 74 101.877 12.600 -12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 74 101.846 13.876 -10.881 1.00 0.00 H new ATOM 1222 N HIS A 75 98.066 5.793 -7.756 1.00 0.00 N ATOM 1223 CA HIS A 75 96.902 5.369 -6.915 1.00 0.00 C ATOM 1224 C HIS A 75 97.061 5.990 -5.537 1.00 0.00 C ATOM 1225 O HIS A 75 98.157 6.091 -5.023 1.00 0.00 O ATOM 1226 CB HIS A 75 96.867 3.849 -6.712 1.00 0.00 C ATOM 1227 CG HIS A 75 98.023 3.196 -7.394 1.00 0.00 C ATOM 1228 ND1 HIS A 75 97.982 2.836 -8.718 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.259 2.831 -6.943 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.168 2.280 -9.021 1.00 0.00 C ATOM 1231 NE2 HIS A 75 99.979 2.252 -7.970 1.00 0.00 N ATOM 0 H HIS A 75 98.962 5.804 -7.269 1.00 0.00 H new ATOM 0 HA HIS A 75 95.990 5.686 -7.421 1.00 0.00 H new ATOM 0 HB2 HIS A 75 96.890 3.619 -5.647 1.00 0.00 H new ATOM 0 HB3 HIS A 75 95.933 3.447 -7.104 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.196 2.966 -9.355 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.620 2.974 -5.935 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.429 1.903 -9.999 1.00 0.00 H new ATOM 1239 N ARG A 76 95.992 6.368 -4.903 1.00 0.00 N ATOM 1240 CA ARG A 76 96.144 6.926 -3.540 1.00 0.00 C ATOM 1241 C ARG A 76 96.971 5.919 -2.742 1.00 0.00 C ATOM 1242 O ARG A 76 96.647 4.743 -2.689 1.00 0.00 O ATOM 1243 CB ARG A 76 94.769 7.103 -2.893 1.00 0.00 C ATOM 1244 CG ARG A 76 93.875 7.934 -3.815 1.00 0.00 C ATOM 1245 CD ARG A 76 93.161 9.014 -2.996 1.00 0.00 C ATOM 1246 NE ARG A 76 92.145 9.692 -3.850 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.280 10.511 -3.313 1.00 0.00 C ATOM 1248 NH1 ARG A 76 91.480 10.973 -2.109 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.216 10.865 -3.979 1.00 0.00 N ATOM 0 H ARG A 76 95.038 6.316 -5.261 1.00 0.00 H new ATOM 0 HA ARG A 76 96.631 7.901 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.314 6.130 -2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.871 7.596 -1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.473 8.395 -4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 76 93.144 7.292 -4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 76 92.681 8.568 -2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.883 9.741 -2.624 1.00 0.00 H new ATOM 0 HE ARG A 76 92.125 9.517 -4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 76 92.311 10.695 -1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 76 90.805 11.612 -1.689 1.00 0.00 H new ATOM 0 HH21 ARG A 76 90.059 10.502 -4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 76 89.541 11.504 -3.559 1.00 0.00 H new ATOM 1263 N VAL A 77 98.048 6.337 -2.144 1.00 0.00 N ATOM 1264 CA VAL A 77 98.857 5.350 -1.391 1.00 0.00 C ATOM 1265 C VAL A 77 97.994 4.769 -0.268 1.00 0.00 C ATOM 1266 O VAL A 77 98.309 3.744 0.304 1.00 0.00 O ATOM 1267 CB VAL A 77 100.150 5.999 -0.863 1.00 0.00 C ATOM 1268 CG1 VAL A 77 100.577 5.351 0.460 1.00 0.00 C ATOM 1269 CG2 VAL A 77 101.268 5.799 -1.907 1.00 0.00 C ATOM 0 H VAL A 77 98.396 7.296 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 77 99.168 4.535 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 77 99.972 7.061 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 77 101.492 5.823 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 77 99.788 5.482 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 77 100.754 4.287 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 77 102.190 6.254 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 77 101.429 4.733 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.976 6.268 -2.847 1.00 0.00 H new ATOM 1279 N SER A 78 96.885 5.395 0.024 1.00 0.00 N ATOM 1280 CA SER A 78 95.983 4.853 1.074 1.00 0.00 C ATOM 1281 C SER A 78 95.221 3.673 0.469 1.00 0.00 C ATOM 1282 O SER A 78 94.929 2.696 1.127 1.00 0.00 O ATOM 1283 CB SER A 78 94.995 5.935 1.514 1.00 0.00 C ATOM 1284 OG SER A 78 94.540 5.645 2.829 1.00 0.00 O ATOM 0 H SER A 78 96.568 6.257 -0.420 1.00 0.00 H new ATOM 0 HA SER A 78 96.557 4.532 1.944 1.00 0.00 H new ATOM 0 HB2 SER A 78 95.474 6.914 1.490 1.00 0.00 H new ATOM 0 HB3 SER A 78 94.151 5.976 0.825 1.00 0.00 H new ATOM 0 HG SER A 78 95.306 5.609 3.440 1.00 0.00 H new ATOM 1290 N ALA A 79 94.908 3.763 -0.795 1.00 0.00 N ATOM 1291 CA ALA A 79 94.181 2.654 -1.472 1.00 0.00 C ATOM 1292 C ALA A 79 95.061 1.402 -1.471 1.00 0.00 C ATOM 1293 O ALA A 79 94.642 0.342 -1.048 1.00 0.00 O ATOM 1294 CB ALA A 79 93.873 3.054 -2.917 1.00 0.00 C ATOM 0 H ALA A 79 95.126 4.562 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 79 93.249 2.451 -0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.341 2.243 -3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.254 3.951 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.805 3.254 -3.446 1.00 0.00 H new ATOM 1300 N ILE A 80 96.281 1.510 -1.932 1.00 0.00 N ATOM 1301 CA ILE A 80 97.171 0.312 -1.938 1.00 0.00 C ATOM 1302 C ILE A 80 97.395 -0.138 -0.496 1.00 0.00 C ATOM 1303 O ILE A 80 97.586 -1.306 -0.223 1.00 0.00 O ATOM 1304 CB ILE A 80 98.523 0.648 -2.567 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.302 1.309 -3.949 1.00 0.00 C ATOM 1306 CG2 ILE A 80 99.350 -0.640 -2.690 1.00 0.00 C ATOM 1307 CD1 ILE A 80 98.875 0.448 -5.082 1.00 0.00 C ATOM 0 H ILE A 80 96.695 2.366 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 80 96.699 -0.479 -2.521 1.00 0.00 H new ATOM 0 HB ILE A 80 99.069 1.353 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.236 1.465 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 80 98.774 2.292 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.317 -0.410 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.502 -1.071 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 80 98.819 -1.354 -3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 80 98.702 0.942 -6.038 1.00 0.00 H new ATOM 0 HD12 ILE A 80 99.946 0.314 -4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.384 -0.525 -5.083 1.00 0.00 H new ATOM 1319 N ASN A 81 97.366 0.779 0.433 1.00 0.00 N ATOM 1320 CA ASN A 81 97.565 0.388 1.852 1.00 0.00 C ATOM 1321 C ASN A 81 96.570 -0.727 2.173 1.00 0.00 C ATOM 1322 O ASN A 81 96.847 -1.620 2.946 1.00 0.00 O ATOM 1323 CB ASN A 81 97.322 1.601 2.762 1.00 0.00 C ATOM 1324 CG ASN A 81 96.955 1.133 4.174 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.502 0.049 4.649 1.00 0.00 O flip ATOM 1326 ND2 ASN A 81 96.163 1.760 4.849 1.00 0.00 N flip ATOM 0 H ASN A 81 97.214 1.774 0.270 1.00 0.00 H new ATOM 0 HA ASN A 81 98.584 0.038 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.216 2.224 2.797 1.00 0.00 H new ATOM 0 HB3 ASN A 81 96.520 2.217 2.354 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.735 2.608 4.477 1.00 0.00 H new ATOM 0 HD22 ASN A 81 95.926 1.438 5.787 1.00 0.00 H new ATOM 1333 N ASN A 82 95.415 -0.683 1.570 1.00 0.00 N ATOM 1334 CA ASN A 82 94.403 -1.744 1.820 1.00 0.00 C ATOM 1335 C ASN A 82 94.971 -3.085 1.351 1.00 0.00 C ATOM 1336 O ASN A 82 94.818 -4.096 2.005 1.00 0.00 O ATOM 1337 CB ASN A 82 93.125 -1.426 1.041 1.00 0.00 C ATOM 1338 CG ASN A 82 91.918 -1.529 1.978 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.962 -2.228 2.969 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.834 -0.857 1.701 1.00 0.00 N ATOM 0 H ASN A 82 95.129 0.044 0.914 1.00 0.00 H new ATOM 0 HA ASN A 82 94.169 -1.792 2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.185 -0.424 0.616 1.00 0.00 H new ATOM 0 HB3 ASN A 82 93.012 -2.119 0.207 1.00 0.00 H new ATOM 0 HD21 ASN A 82 90.024 -0.919 2.318 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.797 -0.269 0.868 1.00 0.00 H new ATOM 1347 N TYR A 83 95.636 -3.098 0.225 1.00 0.00 N ATOM 1348 CA TYR A 83 96.225 -4.375 -0.273 1.00 0.00 C ATOM 1349 C TYR A 83 97.341 -4.813 0.681 1.00 0.00 C ATOM 1350 O TYR A 83 97.255 -5.845 1.317 1.00 0.00 O ATOM 1351 CB TYR A 83 96.789 -4.156 -1.686 1.00 0.00 C ATOM 1352 CG TYR A 83 97.563 -5.373 -2.162 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.506 -6.586 -1.459 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.354 -5.279 -3.319 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.234 -7.692 -1.909 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.079 -6.389 -3.768 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.018 -7.594 -3.061 1.00 0.00 C ATOM 1358 OH TYR A 83 99.736 -8.686 -3.500 1.00 0.00 O ATOM 0 H TYR A 83 95.796 -2.284 -0.368 1.00 0.00 H new ATOM 0 HA TYR A 83 95.461 -5.152 -0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 83 95.973 -3.947 -2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.441 -3.283 -1.689 1.00 0.00 H new ATOM 0 HD1 TYR A 83 96.899 -6.666 -0.569 1.00 0.00 H new ATOM 0 HD2 TYR A 83 98.403 -4.348 -3.864 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.190 -8.624 -1.365 1.00 0.00 H new ATOM 0 HE2 TYR A 83 99.685 -6.315 -4.659 1.00 0.00 H new ATOM 0 HH TYR A 83 99.269 -9.509 -3.245 1.00 0.00 H new ATOM 1368 N ALA A 84 98.386 -4.043 0.789 1.00 0.00 N ATOM 1369 CA ALA A 84 99.500 -4.428 1.701 1.00 0.00 C ATOM 1370 C ALA A 84 98.974 -4.562 3.134 1.00 0.00 C ATOM 1371 O ALA A 84 99.628 -5.115 3.992 1.00 0.00 O ATOM 1372 CB ALA A 84 100.586 -3.353 1.657 1.00 0.00 C ATOM 0 H ALA A 84 98.518 -3.165 0.287 1.00 0.00 H new ATOM 0 HA ALA A 84 99.916 -5.383 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.402 -3.633 2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.965 -3.260 0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 84 100.167 -2.399 1.977 1.00 0.00 H new ATOM 1378 N GLN A 85 97.799 -4.062 3.402 1.00 0.00 N ATOM 1379 CA GLN A 85 97.248 -4.165 4.784 1.00 0.00 C ATOM 1380 C GLN A 85 96.444 -5.458 4.923 1.00 0.00 C ATOM 1381 O GLN A 85 96.323 -6.012 5.998 1.00 0.00 O ATOM 1382 CB GLN A 85 96.341 -2.967 5.068 1.00 0.00 C ATOM 1383 CG GLN A 85 95.733 -3.103 6.466 1.00 0.00 C ATOM 1384 CD GLN A 85 96.854 -3.209 7.502 1.00 0.00 C ATOM 1385 OE1 GLN A 85 97.579 -2.261 7.728 1.00 0.00 O ATOM 1386 NE2 GLN A 85 97.027 -4.331 8.145 1.00 0.00 N ATOM 0 H GLN A 85 97.198 -3.588 2.727 1.00 0.00 H new ATOM 0 HA GLN A 85 98.071 -4.172 5.498 1.00 0.00 H new ATOM 0 HB2 GLN A 85 96.912 -2.041 4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.550 -2.912 4.320 1.00 0.00 H new ATOM 0 HG2 GLN A 85 95.101 -2.242 6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.096 -3.986 6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 85 96.418 -5.127 7.955 1.00 0.00 H new ATOM 0 HE22 GLN A 85 97.771 -4.412 8.838 1.00 0.00 H new ATOM 1395 N LYS A 86 95.900 -5.949 3.845 1.00 0.00 N ATOM 1396 CA LYS A 86 95.117 -7.212 3.920 1.00 0.00 C ATOM 1397 C LYS A 86 96.080 -8.385 4.109 1.00 0.00 C ATOM 1398 O LYS A 86 95.674 -9.519 4.270 1.00 0.00 O ATOM 1399 CB LYS A 86 94.326 -7.401 2.623 1.00 0.00 C ATOM 1400 CG LYS A 86 93.353 -8.570 2.784 1.00 0.00 C ATOM 1401 CD LYS A 86 93.992 -9.848 2.238 1.00 0.00 C ATOM 1402 CE LYS A 86 93.492 -10.102 0.815 1.00 0.00 C ATOM 1403 NZ LYS A 86 93.171 -11.549 0.652 1.00 0.00 N ATOM 0 H LYS A 86 95.964 -5.531 2.917 1.00 0.00 H new ATOM 0 HA LYS A 86 94.424 -7.167 4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 86 93.779 -6.489 2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 86 95.007 -7.593 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 86 93.096 -8.700 3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.425 -8.360 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 86 95.078 -9.754 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 86 93.743 -10.694 2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.607 -9.498 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 86 94.251 -9.803 0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 92.831 -11.722 -0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 94.026 -12.116 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.432 -11.819 1.332 1.00 0.00 H new ATOM 1417 N LEU A 87 97.359 -8.117 4.090 1.00 0.00 N ATOM 1418 CA LEU A 87 98.357 -9.204 4.266 1.00 0.00 C ATOM 1419 C LEU A 87 98.980 -9.097 5.659 1.00 0.00 C ATOM 1420 O LEU A 87 100.175 -9.233 5.829 1.00 0.00 O ATOM 1421 CB LEU A 87 99.445 -9.057 3.199 1.00 0.00 C ATOM 1422 CG LEU A 87 98.809 -9.178 1.814 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.413 -8.127 0.881 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.077 -10.573 1.250 1.00 0.00 C ATOM 0 H LEU A 87 97.754 -7.186 3.959 1.00 0.00 H new ATOM 0 HA LEU A 87 97.874 -10.176 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 87 99.943 -8.093 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.207 -9.825 3.331 1.00 0.00 H new ATOM 0 HG LEU A 87 97.734 -9.018 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 87 98.960 -8.213 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.222 -7.132 1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.488 -8.286 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 87 98.624 -10.660 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.152 -10.733 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.646 -11.323 1.914 1.00 0.00 H new ATOM 1436 N CYS A 88 98.177 -8.847 6.659 1.00 0.00 N ATOM 1437 CA CYS A 88 98.720 -8.725 8.041 1.00 0.00 C ATOM 1438 C CYS A 88 98.051 -9.759 8.950 1.00 0.00 C ATOM 1439 O CYS A 88 98.143 -9.686 10.160 1.00 0.00 O ATOM 1440 CB CYS A 88 98.439 -7.320 8.575 1.00 0.00 C ATOM 1441 SG CYS A 88 99.223 -7.120 10.194 1.00 0.00 S ATOM 0 H CYS A 88 97.168 -8.722 6.577 1.00 0.00 H new ATOM 0 HA CYS A 88 99.796 -8.901 8.024 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.821 -6.572 7.880 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.364 -7.159 8.658 1.00 0.00 H new ATOM 0 HG CYS A 88 100.108 -8.056 10.366 1.00 0.00 H new ATOM 1447 N THR A 89 97.379 -10.722 8.381 1.00 0.00 N ATOM 1448 CA THR A 89 96.710 -11.758 9.219 1.00 0.00 C ATOM 1449 C THR A 89 97.727 -12.833 9.610 1.00 0.00 C ATOM 1450 O THR A 89 97.382 -13.852 10.172 1.00 0.00 O ATOM 1451 CB THR A 89 95.569 -12.400 8.424 1.00 0.00 C ATOM 1452 OG1 THR A 89 95.896 -12.393 7.042 1.00 0.00 O ATOM 1453 CG2 THR A 89 94.279 -11.610 8.650 1.00 0.00 C ATOM 0 H THR A 89 97.264 -10.837 7.374 1.00 0.00 H new ATOM 0 HA THR A 89 96.309 -11.293 10.119 1.00 0.00 H new ATOM 0 HB THR A 89 95.425 -13.427 8.759 1.00 0.00 H new ATOM 0 HG1 THR A 89 96.822 -12.690 6.924 1.00 0.00 H new ATOM 0 HG21 THR A 89 93.468 -12.068 8.084 1.00 0.00 H new ATOM 0 HG22 THR A 89 94.030 -11.617 9.711 1.00 0.00 H new ATOM 0 HG23 THR A 89 94.419 -10.582 8.317 1.00 0.00 H new ATOM 1461 N PHE A 90 98.979 -12.610 9.317 1.00 0.00 N ATOM 1462 CA PHE A 90 100.022 -13.617 9.670 1.00 0.00 C ATOM 1463 C PHE A 90 101.161 -12.918 10.415 1.00 0.00 C ATOM 1464 O PHE A 90 101.669 -13.415 11.400 1.00 0.00 O ATOM 1465 CB PHE A 90 100.570 -14.279 8.397 1.00 0.00 C ATOM 1466 CG PHE A 90 100.227 -13.444 7.182 1.00 0.00 C ATOM 1467 CD1 PHE A 90 98.934 -13.485 6.647 1.00 0.00 C ATOM 1468 CD2 PHE A 90 101.202 -12.630 6.592 1.00 0.00 C ATOM 1469 CE1 PHE A 90 98.616 -12.713 5.524 1.00 0.00 C ATOM 1470 CE2 PHE A 90 100.884 -11.859 5.469 1.00 0.00 C ATOM 1471 CZ PHE A 90 99.592 -11.900 4.934 1.00 0.00 C ATOM 0 H PHE A 90 99.326 -11.773 8.848 1.00 0.00 H new ATOM 0 HA PHE A 90 99.581 -14.386 10.305 1.00 0.00 H new ATOM 0 HB2 PHE A 90 101.651 -14.393 8.475 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.151 -15.279 8.290 1.00 0.00 H new ATOM 0 HD1 PHE A 90 98.182 -14.113 7.101 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.200 -12.598 7.004 1.00 0.00 H new ATOM 0 HE1 PHE A 90 97.618 -12.744 5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 90 101.636 -11.232 5.015 1.00 0.00 H new ATOM 0 HZ PHE A 90 99.347 -11.305 4.066 1.00 0.00 H new ATOM 1481 N SER A 91 101.561 -11.765 9.953 1.00 0.00 N ATOM 1482 CA SER A 91 102.662 -11.026 10.634 1.00 0.00 C ATOM 1483 C SER A 91 102.349 -9.529 10.617 1.00 0.00 C ATOM 1484 O SER A 91 101.447 -9.083 9.936 1.00 0.00 O ATOM 1485 CB SER A 91 103.980 -11.281 9.902 1.00 0.00 C ATOM 1486 OG SER A 91 105.064 -10.926 10.750 1.00 0.00 O ATOM 0 H SER A 91 101.172 -11.302 9.132 1.00 0.00 H new ATOM 0 HA SER A 91 102.750 -11.370 11.664 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.054 -12.331 9.618 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.017 -10.698 8.982 1.00 0.00 H new ATOM 0 HG SER A 91 105.535 -11.737 11.035 1.00 0.00 H new ATOM 1492 N PHE A 92 103.083 -8.748 11.361 1.00 0.00 N ATOM 1493 CA PHE A 92 102.818 -7.282 11.382 1.00 0.00 C ATOM 1494 C PHE A 92 102.992 -6.711 9.972 1.00 0.00 C ATOM 1495 O PHE A 92 103.458 -7.384 9.073 1.00 0.00 O ATOM 1496 CB PHE A 92 103.793 -6.598 12.355 1.00 0.00 C ATOM 1497 CG PHE A 92 105.107 -6.304 11.662 1.00 0.00 C ATOM 1498 CD1 PHE A 92 106.124 -7.266 11.646 1.00 0.00 C ATOM 1499 CD2 PHE A 92 105.303 -5.069 11.034 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.334 -6.991 11.002 1.00 0.00 C ATOM 1501 CE2 PHE A 92 106.514 -4.795 10.390 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.531 -5.756 10.374 1.00 0.00 C ATOM 0 H PHE A 92 103.852 -9.060 11.953 1.00 0.00 H new ATOM 0 HA PHE A 92 101.797 -7.099 11.716 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.356 -5.672 12.728 1.00 0.00 H new ATOM 0 HB3 PHE A 92 103.965 -7.240 13.219 1.00 0.00 H new ATOM 0 HD1 PHE A 92 105.974 -8.219 12.131 1.00 0.00 H new ATOM 0 HD2 PHE A 92 104.519 -4.327 11.047 1.00 0.00 H new ATOM 0 HE1 PHE A 92 108.118 -7.733 10.989 1.00 0.00 H new ATOM 0 HE2 PHE A 92 106.664 -3.842 9.905 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.467 -5.545 9.878 1.00 0.00 H new ATOM 1512 N LEU A 93 102.628 -5.477 9.772 1.00 0.00 N ATOM 1513 CA LEU A 93 102.781 -4.869 8.423 1.00 0.00 C ATOM 1514 C LEU A 93 102.756 -3.345 8.542 1.00 0.00 C ATOM 1515 O LEU A 93 101.945 -2.781 9.249 1.00 0.00 O ATOM 1516 CB LEU A 93 101.636 -5.330 7.523 1.00 0.00 C ATOM 1517 CG LEU A 93 101.904 -4.872 6.091 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.717 -6.051 5.134 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.925 -3.755 5.726 1.00 0.00 C ATOM 0 H LEU A 93 102.231 -4.863 10.484 1.00 0.00 H new ATOM 0 HA LEU A 93 103.731 -5.182 7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.545 -6.416 7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.691 -4.919 7.878 1.00 0.00 H new ATOM 0 HG LEU A 93 102.926 -4.501 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.908 -5.724 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.414 -6.847 5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.695 -6.423 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 93 101.113 -3.426 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.903 -4.126 5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 93 101.060 -2.916 6.408 1.00 0.00 H new ATOM 1531 N ILE A 94 103.637 -2.674 7.854 1.00 0.00 N ATOM 1532 CA ILE A 94 103.661 -1.186 7.925 1.00 0.00 C ATOM 1533 C ILE A 94 103.829 -0.614 6.517 1.00 0.00 C ATOM 1534 O ILE A 94 104.852 -0.050 6.182 1.00 0.00 O ATOM 1535 CB ILE A 94 104.828 -0.736 8.806 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.608 -1.236 10.236 1.00 0.00 C ATOM 1537 CG2 ILE A 94 104.906 0.791 8.810 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.918 -1.805 10.785 1.00 0.00 C ATOM 0 H ILE A 94 104.341 -3.091 7.246 1.00 0.00 H new ATOM 0 HA ILE A 94 102.726 -0.825 8.354 1.00 0.00 H new ATOM 0 HB ILE A 94 105.758 -1.147 8.414 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.260 -0.419 10.869 1.00 0.00 H new ATOM 0 HG13 ILE A 94 103.833 -2.002 10.250 1.00 0.00 H new ATOM 0 HG21 ILE A 94 105.738 1.111 9.438 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.060 1.150 7.792 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.976 1.202 9.203 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.762 -2.161 11.803 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.246 -2.633 10.157 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.681 -1.026 10.786 1.00 0.00 H new ATOM 1550 N CYS A 95 102.831 -0.757 5.688 1.00 0.00 N ATOM 1551 CA CYS A 95 102.927 -0.226 4.299 1.00 0.00 C ATOM 1552 C CYS A 95 102.597 1.268 4.299 1.00 0.00 C ATOM 1553 O CYS A 95 101.679 1.711 4.963 1.00 0.00 O ATOM 1554 CB CYS A 95 101.931 -0.966 3.403 1.00 0.00 C ATOM 1555 SG CYS A 95 101.848 -0.151 1.788 1.00 0.00 S ATOM 0 H CYS A 95 101.951 -1.220 5.914 1.00 0.00 H new ATOM 0 HA CYS A 95 103.939 -0.375 3.922 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.237 -2.005 3.282 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.945 -0.976 3.868 1.00 0.00 H new ATOM 0 HG CYS A 95 102.995 0.400 1.521 1.00 0.00 H new ATOM 1561 N LYS A 96 103.335 2.051 3.558 1.00 0.00 N ATOM 1562 CA LYS A 96 103.060 3.515 3.517 1.00 0.00 C ATOM 1563 C LYS A 96 103.441 4.068 2.141 1.00 0.00 C ATOM 1564 O LYS A 96 103.744 3.328 1.228 1.00 0.00 O ATOM 1565 CB LYS A 96 103.885 4.221 4.595 1.00 0.00 C ATOM 1566 CG LYS A 96 102.948 4.851 5.626 1.00 0.00 C ATOM 1567 CD LYS A 96 103.012 4.052 6.929 1.00 0.00 C ATOM 1568 CE LYS A 96 102.334 4.843 8.049 1.00 0.00 C ATOM 1569 NZ LYS A 96 102.601 4.181 9.356 1.00 0.00 N ATOM 0 H LYS A 96 104.116 1.740 2.980 1.00 0.00 H new ATOM 0 HA LYS A 96 101.999 3.689 3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.552 3.509 5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.513 4.988 4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 96 103.234 5.887 5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 96 101.927 4.864 5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 96 102.519 3.088 6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 96 104.050 3.847 7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 96 102.709 5.866 8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 96 101.260 4.899 7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 102.140 4.718 10.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 102.223 3.212 9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 103.627 4.149 9.526 1.00 0.00 H new ATOM 1583 N GLY A 97 103.431 5.365 1.987 1.00 0.00 N ATOM 1584 CA GLY A 97 103.798 5.962 0.671 1.00 0.00 C ATOM 1585 C GLY A 97 105.080 6.779 0.826 1.00 0.00 C ATOM 1586 O GLY A 97 105.653 6.853 1.894 1.00 0.00 O ATOM 0 H GLY A 97 103.185 6.036 2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.942 5.176 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.990 6.598 0.309 1.00 0.00 H new ATOM 1590 N VAL A 98 105.537 7.392 -0.231 1.00 0.00 N ATOM 1591 CA VAL A 98 106.785 8.201 -0.135 1.00 0.00 C ATOM 1592 C VAL A 98 106.756 9.317 -1.180 1.00 0.00 C ATOM 1593 O VAL A 98 106.212 9.162 -2.256 1.00 0.00 O ATOM 1594 CB VAL A 98 107.993 7.299 -0.383 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.242 8.160 -0.575 1.00 0.00 C ATOM 1596 CG2 VAL A 98 108.187 6.376 0.821 1.00 0.00 C ATOM 0 H VAL A 98 105.102 7.368 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 98 106.857 8.642 0.859 1.00 0.00 H new ATOM 0 HB VAL A 98 107.827 6.701 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.104 7.517 -0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.101 8.821 -1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.413 8.758 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 98 109.048 5.730 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.356 6.975 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.296 5.764 0.958 1.00 0.00 H new ATOM 1606 N ASN A 99 107.341 10.442 -0.872 1.00 0.00 N ATOM 1607 CA ASN A 99 107.353 11.570 -1.845 1.00 0.00 C ATOM 1608 C ASN A 99 108.718 11.625 -2.533 1.00 0.00 C ATOM 1609 O ASN A 99 108.890 12.274 -3.546 1.00 0.00 O ATOM 1610 CB ASN A 99 107.098 12.885 -1.104 1.00 0.00 C ATOM 1611 CG ASN A 99 105.618 12.982 -0.731 1.00 0.00 C ATOM 1612 OD1 ASN A 99 104.813 12.191 -1.180 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.222 13.926 0.079 1.00 0.00 N ATOM 0 H ASN A 99 107.812 10.629 0.013 1.00 0.00 H new ATOM 0 HA ASN A 99 106.573 11.420 -2.592 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.714 12.934 -0.206 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.382 13.730 -1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.237 13.999 0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 99 105.897 14.591 0.457 1.00 0.00 H new ATOM 1620 N LYS A 100 109.689 10.942 -1.990 1.00 0.00 N ATOM 1621 CA LYS A 100 111.045 10.946 -2.607 1.00 0.00 C ATOM 1622 C LYS A 100 111.534 9.505 -2.761 1.00 0.00 C ATOM 1623 O LYS A 100 112.066 8.918 -1.840 1.00 0.00 O ATOM 1624 CB LYS A 100 112.011 11.720 -1.706 1.00 0.00 C ATOM 1625 CG LYS A 100 112.550 12.939 -2.459 1.00 0.00 C ATOM 1626 CD LYS A 100 112.112 14.218 -1.744 1.00 0.00 C ATOM 1627 CE LYS A 100 112.375 15.423 -2.648 1.00 0.00 C ATOM 1628 NZ LYS A 100 113.843 15.591 -2.838 1.00 0.00 N ATOM 0 H LYS A 100 109.601 10.380 -1.143 1.00 0.00 H new ATOM 0 HA LYS A 100 111.001 11.423 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.501 12.038 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.835 11.075 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 100 113.638 12.894 -2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 100 112.180 12.939 -3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 100 111.053 14.162 -1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 100 112.656 14.328 -0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 100 111.887 15.281 -3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 100 111.950 16.323 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 114.031 16.500 -3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 114.317 15.575 -1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 114.208 14.815 -3.427 1.00 0.00 H new ATOM 1642 N GLU A 101 111.356 8.928 -3.917 1.00 0.00 N ATOM 1643 CA GLU A 101 111.806 7.523 -4.127 1.00 0.00 C ATOM 1644 C GLU A 101 113.331 7.487 -4.254 1.00 0.00 C ATOM 1645 O GLU A 101 114.012 6.875 -3.460 1.00 0.00 O ATOM 1646 CB GLU A 101 111.171 6.968 -5.404 1.00 0.00 C ATOM 1647 CG GLU A 101 111.735 5.574 -5.697 1.00 0.00 C ATOM 1648 CD GLU A 101 110.796 4.512 -5.124 1.00 0.00 C ATOM 1649 OE1 GLU A 101 110.221 4.757 -4.076 1.00 0.00 O ATOM 1650 OE2 GLU A 101 110.675 3.466 -5.740 1.00 0.00 O ATOM 0 H GLU A 101 110.918 9.369 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 101 111.500 6.913 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 101 110.088 6.916 -5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.372 7.636 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 101 111.846 5.434 -6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 101 112.727 5.472 -5.258 1.00 0.00 H new ATOM 1657 N TYR A 102 113.871 8.131 -5.250 1.00 0.00 N ATOM 1658 CA TYR A 102 115.351 8.122 -5.427 1.00 0.00 C ATOM 1659 C TYR A 102 116.044 8.373 -4.082 1.00 0.00 C ATOM 1660 O TYR A 102 117.125 7.879 -3.833 1.00 0.00 O ATOM 1661 CB TYR A 102 115.756 9.217 -6.416 1.00 0.00 C ATOM 1662 CG TYR A 102 117.182 8.993 -6.856 1.00 0.00 C ATOM 1663 CD1 TYR A 102 118.239 9.521 -6.105 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.450 8.255 -8.016 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.561 9.312 -6.513 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.772 8.046 -8.424 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.829 8.574 -7.672 1.00 0.00 C ATOM 1668 OH TYR A 102 121.132 8.367 -8.074 1.00 0.00 O ATOM 0 H TYR A 102 113.353 8.663 -5.949 1.00 0.00 H new ATOM 0 HA TYR A 102 115.655 7.148 -5.811 1.00 0.00 H new ATOM 0 HB2 TYR A 102 115.091 9.206 -7.280 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.657 10.198 -5.950 1.00 0.00 H new ATOM 0 HD1 TYR A 102 118.034 10.090 -5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.635 7.847 -8.596 1.00 0.00 H new ATOM 0 HE1 TYR A 102 120.375 9.720 -5.933 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.977 7.477 -9.319 1.00 0.00 H new ATOM 0 HH TYR A 102 121.140 7.834 -8.897 1.00 0.00 H new ATOM 1678 N LEU A 103 115.442 9.146 -3.217 1.00 0.00 N ATOM 1679 CA LEU A 103 116.081 9.433 -1.902 1.00 0.00 C ATOM 1680 C LEU A 103 115.955 8.228 -0.966 1.00 0.00 C ATOM 1681 O LEU A 103 116.919 7.542 -0.700 1.00 0.00 O ATOM 1682 CB LEU A 103 115.411 10.643 -1.265 1.00 0.00 C ATOM 1683 CG LEU A 103 116.468 11.722 -1.058 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.483 11.244 -0.024 1.00 0.00 C ATOM 1685 CD2 LEU A 103 117.191 11.981 -2.377 1.00 0.00 C ATOM 0 H LEU A 103 114.536 9.590 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 103 117.139 9.639 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.610 11.014 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 103 114.957 10.368 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 103 115.989 12.638 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 103 118.240 12.014 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 103 116.975 11.046 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 103 117.960 10.330 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 103 117.947 12.752 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.670 11.062 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 103 116.473 12.314 -3.126 1.00 0.00 H new ATOM 1697 N MET A 104 114.778 7.976 -0.457 1.00 0.00 N ATOM 1698 CA MET A 104 114.588 6.824 0.475 1.00 0.00 C ATOM 1699 C MET A 104 115.419 5.626 0.008 1.00 0.00 C ATOM 1700 O MET A 104 116.116 5.003 0.784 1.00 0.00 O ATOM 1701 CB MET A 104 113.110 6.436 0.509 1.00 0.00 C ATOM 1702 CG MET A 104 112.909 5.261 1.468 1.00 0.00 C ATOM 1703 SD MET A 104 111.915 5.800 2.882 1.00 0.00 S ATOM 1704 CE MET A 104 111.488 4.153 3.500 1.00 0.00 C ATOM 0 H MET A 104 113.936 8.520 -0.647 1.00 0.00 H new ATOM 0 HA MET A 104 114.915 7.116 1.473 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.508 7.286 0.829 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.772 6.164 -0.491 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.413 4.438 0.953 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.874 4.887 1.810 1.00 0.00 H new ATOM 0 HE1 MET A 104 110.407 4.019 3.462 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.969 3.396 2.881 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.830 4.051 4.530 1.00 0.00 H new ATOM 1714 N TYR A 105 115.354 5.299 -1.252 1.00 0.00 N ATOM 1715 CA TYR A 105 116.141 4.143 -1.764 1.00 0.00 C ATOM 1716 C TYR A 105 117.637 4.425 -1.594 1.00 0.00 C ATOM 1717 O TYR A 105 118.383 3.594 -1.114 1.00 0.00 O ATOM 1718 CB TYR A 105 115.830 3.928 -3.245 1.00 0.00 C ATOM 1719 CG TYR A 105 116.695 2.813 -3.778 1.00 0.00 C ATOM 1720 CD1 TYR A 105 116.261 1.486 -3.689 1.00 0.00 C ATOM 1721 CD2 TYR A 105 117.936 3.105 -4.357 1.00 0.00 C ATOM 1722 CE1 TYR A 105 117.065 0.453 -4.177 1.00 0.00 C ATOM 1723 CE2 TYR A 105 118.741 2.072 -4.846 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.307 0.744 -4.756 1.00 0.00 C ATOM 1725 OH TYR A 105 119.102 -0.275 -5.237 1.00 0.00 O ATOM 0 H TYR A 105 114.789 5.783 -1.950 1.00 0.00 H new ATOM 0 HA TYR A 105 115.874 3.248 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.776 3.681 -3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 105 116.014 4.845 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 105 115.304 1.260 -3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 105 118.272 4.129 -4.426 1.00 0.00 H new ATOM 0 HE1 TYR A 105 116.729 -0.571 -4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 105 119.698 2.298 -5.293 1.00 0.00 H new ATOM 0 HH TYR A 105 119.928 0.101 -5.607 1.00 0.00 H new ATOM 1735 N SER A 106 118.083 5.589 -1.982 1.00 0.00 N ATOM 1736 CA SER A 106 119.531 5.913 -1.838 1.00 0.00 C ATOM 1737 C SER A 106 119.954 5.692 -0.385 1.00 0.00 C ATOM 1738 O SER A 106 120.785 4.855 -0.088 1.00 0.00 O ATOM 1739 CB SER A 106 119.773 7.371 -2.227 1.00 0.00 C ATOM 1740 OG SER A 106 120.919 7.450 -3.065 1.00 0.00 O ATOM 0 H SER A 106 117.510 6.327 -2.391 1.00 0.00 H new ATOM 0 HA SER A 106 120.117 5.267 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 106 118.901 7.771 -2.745 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.919 7.978 -1.334 1.00 0.00 H new ATOM 0 HG SER A 106 121.076 8.384 -3.318 1.00 0.00 H new ATOM 1746 N ALA A 107 119.386 6.435 0.525 1.00 0.00 N ATOM 1747 CA ALA A 107 119.749 6.267 1.959 1.00 0.00 C ATOM 1748 C ALA A 107 119.494 4.815 2.381 1.00 0.00 C ATOM 1749 O ALA A 107 119.987 4.358 3.393 1.00 0.00 O ATOM 1750 CB ALA A 107 118.895 7.206 2.813 1.00 0.00 C ATOM 0 H ALA A 107 118.685 7.152 0.336 1.00 0.00 H new ATOM 0 HA ALA A 107 120.803 6.507 2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 107 119.160 7.084 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 107 119.075 8.238 2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.841 6.966 2.674 1.00 0.00 H new ATOM 1756 N LEU A 108 118.729 4.089 1.610 1.00 0.00 N ATOM 1757 CA LEU A 108 118.442 2.668 1.964 1.00 0.00 C ATOM 1758 C LEU A 108 119.642 1.796 1.592 1.00 0.00 C ATOM 1759 O LEU A 108 119.958 0.837 2.267 1.00 0.00 O ATOM 1760 CB LEU A 108 117.214 2.186 1.188 1.00 0.00 C ATOM 1761 CG LEU A 108 115.979 2.243 2.088 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.781 1.643 1.351 1.00 0.00 C ATOM 1763 CD2 LEU A 108 116.242 1.443 3.366 1.00 0.00 C ATOM 0 H LEU A 108 118.290 4.418 0.750 1.00 0.00 H new ATOM 0 HA LEU A 108 118.253 2.595 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 108 117.062 2.808 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.372 1.167 0.835 1.00 0.00 H new ATOM 0 HG LEU A 108 115.765 3.281 2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.901 1.684 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.592 2.211 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.994 0.606 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.362 1.483 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 108 116.456 0.406 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 108 117.095 1.869 3.893 1.00 0.00 H new ATOM 1775 N THR A 109 120.310 2.118 0.518 1.00 0.00 N ATOM 1776 CA THR A 109 121.484 1.303 0.100 1.00 0.00 C ATOM 1777 C THR A 109 122.704 1.695 0.935 1.00 0.00 C ATOM 1778 O THR A 109 123.639 0.934 1.081 1.00 0.00 O ATOM 1779 CB THR A 109 121.777 1.552 -1.382 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.592 2.709 -1.515 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.462 1.760 -2.136 1.00 0.00 C ATOM 0 H THR A 109 120.093 2.910 -0.087 1.00 0.00 H new ATOM 0 HA THR A 109 121.265 0.247 0.254 1.00 0.00 H new ATOM 0 HB THR A 109 122.299 0.691 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 109 122.148 3.473 -1.091 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.672 1.937 -3.191 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.840 0.871 -2.034 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.937 2.620 -1.721 1.00 0.00 H new ATOM 1789 N ARG A 110 122.701 2.875 1.491 1.00 0.00 N ATOM 1790 CA ARG A 110 123.861 3.308 2.318 1.00 0.00 C ATOM 1791 C ARG A 110 123.645 2.857 3.764 1.00 0.00 C ATOM 1792 O ARG A 110 122.598 3.075 4.342 1.00 0.00 O ATOM 1793 CB ARG A 110 123.985 4.833 2.272 1.00 0.00 C ATOM 1794 CG ARG A 110 124.230 5.281 0.830 1.00 0.00 C ATOM 1795 CD ARG A 110 125.397 6.271 0.795 1.00 0.00 C ATOM 1796 NE ARG A 110 126.601 5.599 0.229 1.00 0.00 N ATOM 1797 CZ ARG A 110 127.467 5.033 1.026 1.00 0.00 C ATOM 1798 NH1 ARG A 110 128.077 5.742 1.935 1.00 0.00 N ATOM 1799 NH2 ARG A 110 127.724 3.759 0.911 1.00 0.00 N ATOM 0 H ARG A 110 121.947 3.557 1.408 1.00 0.00 H new ATOM 0 HA ARG A 110 124.775 2.861 1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 110 123.076 5.294 2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 110 124.805 5.161 2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 110 124.452 4.418 0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 110 123.332 5.747 0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 110 125.134 7.139 0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 110 125.609 6.635 1.800 1.00 0.00 H new ATOM 0 HE ARG A 110 126.748 5.581 -0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 110 127.878 6.738 2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 110 128.753 5.300 2.558 1.00 0.00 H new ATOM 0 HH21 ARG A 110 127.249 3.205 0.199 1.00 0.00 H new ATOM 0 HH22 ARG A 110 128.400 3.317 1.533 1.00 0.00 H new ATOM 1813 N ASP A 111 124.624 2.227 4.353 1.00 0.00 N ATOM 1814 CA ASP A 111 124.472 1.761 5.760 1.00 0.00 C ATOM 1815 C ASP A 111 123.812 2.862 6.593 1.00 0.00 C ATOM 1816 O ASP A 111 123.846 4.020 6.227 1.00 0.00 O ATOM 1817 CB ASP A 111 125.850 1.438 6.341 1.00 0.00 C ATOM 1818 CG ASP A 111 126.879 2.437 5.806 1.00 0.00 C ATOM 1819 OD1 ASP A 111 127.396 2.202 4.727 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.131 3.418 6.485 1.00 0.00 O ATOM 0 H ASP A 111 125.523 2.015 3.920 1.00 0.00 H new ATOM 0 HA ASP A 111 123.850 0.866 5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 111 125.817 1.483 7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 111 126.140 0.422 6.072 1.00 0.00 H new ATOM 1825 N PRO A 112 123.229 2.464 7.697 1.00 0.00 N ATOM 1826 CA PRO A 112 123.194 1.056 8.130 1.00 0.00 C ATOM 1827 C PRO A 112 122.110 0.278 7.373 1.00 0.00 C ATOM 1828 O PRO A 112 121.778 -0.837 7.725 1.00 0.00 O ATOM 1829 CB PRO A 112 122.852 1.150 9.619 1.00 0.00 C ATOM 1830 CG PRO A 112 122.159 2.518 9.822 1.00 0.00 C ATOM 1831 CD PRO A 112 122.553 3.397 8.620 1.00 0.00 C ATOM 0 HA PRO A 112 124.129 0.530 7.939 1.00 0.00 H new ATOM 0 HB2 PRO A 112 122.195 0.334 9.919 1.00 0.00 H new ATOM 0 HB3 PRO A 112 123.752 1.076 10.230 1.00 0.00 H new ATOM 0 HG2 PRO A 112 121.077 2.399 9.876 1.00 0.00 H new ATOM 0 HG3 PRO A 112 122.477 2.978 10.758 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.678 3.853 8.156 1.00 0.00 H new ATOM 0 HD3 PRO A 112 123.214 4.210 8.920 1.00 0.00 H new ATOM 1839 N PHE A 113 121.553 0.853 6.341 1.00 0.00 N ATOM 1840 CA PHE A 113 120.493 0.137 5.573 1.00 0.00 C ATOM 1841 C PHE A 113 121.145 -0.760 4.519 1.00 0.00 C ATOM 1842 O PHE A 113 121.778 -0.289 3.596 1.00 0.00 O ATOM 1843 CB PHE A 113 119.584 1.157 4.884 1.00 0.00 C ATOM 1844 CG PHE A 113 118.724 1.849 5.915 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.847 1.104 6.714 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.805 3.238 6.072 1.00 0.00 C ATOM 1847 CE1 PHE A 113 117.053 1.747 7.667 1.00 0.00 C ATOM 1848 CE2 PHE A 113 118.010 3.882 7.026 1.00 0.00 C ATOM 1849 CZ PHE A 113 117.134 3.136 7.825 1.00 0.00 C ATOM 0 H PHE A 113 121.785 1.785 5.997 1.00 0.00 H new ATOM 0 HA PHE A 113 119.901 -0.474 6.254 1.00 0.00 H new ATOM 0 HB2 PHE A 113 120.185 1.890 4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.955 0.659 4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.785 0.033 6.593 1.00 0.00 H new ATOM 0 HD2 PHE A 113 119.481 3.812 5.456 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.376 1.172 8.282 1.00 0.00 H new ATOM 0 HE2 PHE A 113 118.072 4.953 7.146 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.521 3.632 8.563 1.00 0.00 H new ATOM 1859 N SER A 114 120.994 -2.050 4.649 1.00 0.00 N ATOM 1860 CA SER A 114 121.604 -2.976 3.653 1.00 0.00 C ATOM 1861 C SER A 114 120.610 -3.235 2.519 1.00 0.00 C ATOM 1862 O SER A 114 119.475 -2.804 2.565 1.00 0.00 O ATOM 1863 CB SER A 114 121.957 -4.299 4.335 1.00 0.00 C ATOM 1864 OG SER A 114 121.804 -5.362 3.403 1.00 0.00 O ATOM 0 H SER A 114 120.475 -2.502 5.401 1.00 0.00 H new ATOM 0 HA SER A 114 122.509 -2.525 3.246 1.00 0.00 H new ATOM 0 HB2 SER A 114 122.982 -4.269 4.705 1.00 0.00 H new ATOM 0 HB3 SER A 114 121.311 -4.461 5.198 1.00 0.00 H new ATOM 0 HG SER A 114 122.031 -6.212 3.836 1.00 0.00 H new ATOM 1870 N VAL A 115 121.026 -3.936 1.499 1.00 0.00 N ATOM 1871 CA VAL A 115 120.105 -4.221 0.365 1.00 0.00 C ATOM 1872 C VAL A 115 119.883 -5.732 0.255 1.00 0.00 C ATOM 1873 O VAL A 115 120.742 -6.521 0.596 1.00 0.00 O ATOM 1874 CB VAL A 115 120.722 -3.702 -0.935 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.680 -3.756 -2.054 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.183 -2.256 -0.737 1.00 0.00 C ATOM 0 H VAL A 115 121.965 -4.323 1.403 1.00 0.00 H new ATOM 0 HA VAL A 115 119.150 -3.725 0.539 1.00 0.00 H new ATOM 0 HB VAL A 115 121.576 -4.324 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.121 -3.386 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.351 -4.785 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.825 -3.135 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.623 -1.884 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.329 -1.635 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.926 -2.217 0.059 1.00 0.00 H new ATOM 1886 N ILE A 116 118.738 -6.142 -0.220 1.00 0.00 N ATOM 1887 CA ILE A 116 118.469 -7.603 -0.351 1.00 0.00 C ATOM 1888 C ILE A 116 118.336 -7.968 -1.831 1.00 0.00 C ATOM 1889 O ILE A 116 119.133 -8.711 -2.369 1.00 0.00 O ATOM 1890 CB ILE A 116 117.173 -7.959 0.382 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.190 -7.336 1.781 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.058 -9.478 0.505 1.00 0.00 C ATOM 1893 CD1 ILE A 116 115.843 -7.579 2.464 1.00 0.00 C ATOM 0 H ILE A 116 117.979 -5.531 -0.522 1.00 0.00 H new ATOM 0 HA ILE A 116 119.296 -8.161 0.089 1.00 0.00 H new ATOM 0 HB ILE A 116 116.322 -7.573 -0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 116 117.994 -7.771 2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.387 -6.266 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.135 -9.732 1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.047 -9.924 -0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 116 117.910 -9.863 1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 116 115.855 -7.136 3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.048 -7.123 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 116 115.665 -8.651 2.546 1.00 0.00 H new ATOM 1905 N GLU A 117 117.335 -7.456 -2.497 1.00 0.00 N ATOM 1906 CA GLU A 117 117.162 -7.785 -3.941 1.00 0.00 C ATOM 1907 C GLU A 117 116.270 -6.737 -4.612 1.00 0.00 C ATOM 1908 O GLU A 117 115.600 -5.965 -3.955 1.00 0.00 O ATOM 1909 CB GLU A 117 116.514 -9.164 -4.075 1.00 0.00 C ATOM 1910 CG GLU A 117 117.298 -10.001 -5.088 1.00 0.00 C ATOM 1911 CD GLU A 117 116.508 -10.091 -6.395 1.00 0.00 C ATOM 1912 OE1 GLU A 117 115.290 -10.095 -6.328 1.00 0.00 O ATOM 1913 OE2 GLU A 117 117.135 -10.154 -7.439 1.00 0.00 O ATOM 0 H GLU A 117 116.633 -6.828 -2.106 1.00 0.00 H new ATOM 0 HA GLU A 117 118.138 -7.789 -4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.499 -9.666 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.478 -9.061 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 117 118.274 -9.551 -5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 117 117.477 -11.000 -4.690 1.00 0.00 H new ATOM 1920 N GLU A 118 116.255 -6.710 -5.918 1.00 0.00 N ATOM 1921 CA GLU A 118 115.404 -5.720 -6.638 1.00 0.00 C ATOM 1922 C GLU A 118 114.945 -6.323 -7.968 1.00 0.00 C ATOM 1923 O GLU A 118 115.232 -7.463 -8.274 1.00 0.00 O ATOM 1924 CB GLU A 118 116.207 -4.442 -6.907 1.00 0.00 C ATOM 1925 CG GLU A 118 117.693 -4.783 -7.046 1.00 0.00 C ATOM 1926 CD GLU A 118 118.359 -3.789 -7.999 1.00 0.00 C ATOM 1927 OE1 GLU A 118 117.691 -3.335 -8.912 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.527 -3.498 -7.798 1.00 0.00 O ATOM 0 H GLU A 118 116.797 -7.332 -6.518 1.00 0.00 H new ATOM 0 HA GLU A 118 114.536 -5.475 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 118 115.848 -3.961 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.062 -3.732 -6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.178 -4.748 -6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 118 117.810 -5.799 -7.424 1.00 0.00 H new ATOM 1935 N SER A 119 114.234 -5.569 -8.761 1.00 0.00 N ATOM 1936 CA SER A 119 113.761 -6.102 -10.070 1.00 0.00 C ATOM 1937 C SER A 119 114.412 -5.313 -11.208 1.00 0.00 C ATOM 1938 O SER A 119 114.179 -5.575 -12.371 1.00 0.00 O ATOM 1939 CB SER A 119 112.241 -5.963 -10.158 1.00 0.00 C ATOM 1940 OG SER A 119 111.817 -6.273 -11.478 1.00 0.00 O ATOM 0 H SER A 119 113.960 -4.607 -8.559 1.00 0.00 H new ATOM 0 HA SER A 119 114.035 -7.154 -10.154 1.00 0.00 H new ATOM 0 HB2 SER A 119 111.761 -6.631 -9.443 1.00 0.00 H new ATOM 0 HB3 SER A 119 111.941 -4.948 -9.896 1.00 0.00 H new ATOM 0 HG SER A 119 112.443 -5.883 -12.123 1.00 0.00 H new ATOM 1946 N LEU A 120 115.225 -4.345 -10.882 1.00 0.00 N ATOM 1947 CA LEU A 120 115.889 -3.539 -11.943 1.00 0.00 C ATOM 1948 C LEU A 120 117.370 -3.925 -12.026 1.00 0.00 C ATOM 1949 O LEU A 120 117.966 -4.298 -11.035 1.00 0.00 O ATOM 1950 CB LEU A 120 115.764 -2.052 -11.600 1.00 0.00 C ATOM 1951 CG LEU A 120 114.435 -1.512 -12.132 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.519 -1.356 -13.652 1.00 0.00 C ATOM 1953 CD2 LEU A 120 113.306 -2.485 -11.781 1.00 0.00 C ATOM 0 H LEU A 120 115.458 -4.078 -9.925 1.00 0.00 H new ATOM 0 HA LEU A 120 115.412 -3.733 -12.904 1.00 0.00 H new ATOM 0 HB2 LEU A 120 115.819 -1.912 -10.520 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.594 -1.497 -12.036 1.00 0.00 H new ATOM 0 HG LEU A 120 114.231 -0.543 -11.677 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.572 -0.971 -14.031 1.00 0.00 H new ATOM 0 HD12 LEU A 120 115.320 -0.660 -13.903 1.00 0.00 H new ATOM 0 HD13 LEU A 120 114.725 -2.325 -14.106 1.00 0.00 H new ATOM 0 HD21 LEU A 120 112.361 -2.098 -12.161 1.00 0.00 H new ATOM 0 HD22 LEU A 120 113.509 -3.456 -12.233 1.00 0.00 H new ATOM 0 HD23 LEU A 120 113.244 -2.595 -10.698 1.00 0.00 H new ATOM 1965 N PRO A 121 117.913 -3.827 -13.214 1.00 0.00 N ATOM 1966 CA PRO A 121 119.326 -4.160 -13.474 1.00 0.00 C ATOM 1967 C PRO A 121 120.244 -3.003 -13.058 1.00 0.00 C ATOM 1968 O PRO A 121 121.179 -2.663 -13.755 1.00 0.00 O ATOM 1969 CB PRO A 121 119.368 -4.361 -14.991 1.00 0.00 C ATOM 1970 CG PRO A 121 118.156 -3.591 -15.570 1.00 0.00 C ATOM 1971 CD PRO A 121 117.167 -3.383 -14.408 1.00 0.00 C ATOM 0 HA PRO A 121 119.667 -5.032 -12.916 1.00 0.00 H new ATOM 0 HB2 PRO A 121 120.302 -3.983 -15.407 1.00 0.00 H new ATOM 0 HB3 PRO A 121 119.312 -5.420 -15.244 1.00 0.00 H new ATOM 0 HG2 PRO A 121 118.469 -2.634 -15.987 1.00 0.00 H new ATOM 0 HG3 PRO A 121 117.690 -4.154 -16.378 1.00 0.00 H new ATOM 0 HD2 PRO A 121 116.865 -2.339 -14.324 1.00 0.00 H new ATOM 0 HD3 PRO A 121 116.258 -3.967 -14.550 1.00 0.00 H new ATOM 1979 N GLY A 122 119.989 -2.395 -11.930 1.00 0.00 N ATOM 1980 CA GLY A 122 120.852 -1.266 -11.483 1.00 0.00 C ATOM 1981 C GLY A 122 120.167 -0.514 -10.341 1.00 0.00 C ATOM 1982 O GLY A 122 120.810 -0.021 -9.435 1.00 0.00 O ATOM 0 H GLY A 122 119.222 -2.632 -11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.820 -1.644 -11.153 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.041 -0.588 -12.316 1.00 0.00 H new ATOM 1986 N GLY A 123 118.865 -0.423 -10.372 1.00 0.00 N ATOM 1987 CA GLY A 123 118.143 0.296 -9.285 1.00 0.00 C ATOM 1988 C GLY A 123 117.304 1.425 -9.887 1.00 0.00 C ATOM 1989 O GLY A 123 116.703 1.277 -10.932 1.00 0.00 O ATOM 0 H GLY A 123 118.271 -0.815 -11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.502 -0.397 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.856 0.702 -8.567 1.00 0.00 H new ATOM 1993 N LEU A 124 117.256 2.554 -9.232 1.00 0.00 N ATOM 1994 CA LEU A 124 116.456 3.693 -9.764 1.00 0.00 C ATOM 1995 C LEU A 124 117.394 4.735 -10.376 1.00 0.00 C ATOM 1996 O LEU A 124 118.538 4.860 -9.985 1.00 0.00 O ATOM 1997 CB LEU A 124 115.660 4.331 -8.624 1.00 0.00 C ATOM 1998 CG LEU A 124 114.608 3.343 -8.119 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.036 3.840 -6.791 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.480 3.230 -9.147 1.00 0.00 C ATOM 0 H LEU A 124 117.737 2.736 -8.351 1.00 0.00 H new ATOM 0 HA LEU A 124 115.770 3.329 -10.529 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.330 4.612 -7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 124 115.178 5.246 -8.970 1.00 0.00 H new ATOM 0 HG LEU A 124 115.069 2.366 -7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 124 113.286 3.135 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.838 3.922 -6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 124 113.576 4.817 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.730 2.526 -8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 124 113.020 4.208 -9.292 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.886 2.876 -10.095 1.00 0.00 H new