USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 810 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 37 CYS SG : rot 140:sc= 0.709 USER MOD Set 1.2: A 40 CYS SG : rot 82:sc= -1.54 USER MOD Set 2.1: A 27 ASN :FLIP amide:sc= -1.05! C(o=-4.3!,f=-2!) USER MOD Set 2.2: A 59 ASN :FLIP amide:sc= -0.948! F(o=-3.4,f=-2!) USER MOD Single : A 10 LYS NZ :NH3+ -117:sc= -0.94 (180deg=-4.08!) USER MOD Single : A 15 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.091) USER MOD Single : A 16 ASN : amide:sc= -0.566 K(o=-0.57,f=-5.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -111:sc= -1.29! (180deg=-3.18!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.013) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 79:sc= 0.0759 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.872 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-7.1!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -153:sc= -0.107 (180deg=-1.07) USER MOD Single : A 67 SER OG : rot 120:sc=-0.000818 USER MOD Single : A 68 THR OG1 : rot -58:sc= -0.865! USER MOD Single : A 70 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.155 K(o=-0.16,f=-0.7) USER MOD Single : A 79 SER OG : rot 51:sc= 1.22 USER MOD Single : A 82 THR OG1 : rot 115:sc= 1.05 USER MOD Single : A 84 LYS NZ :NH3+ -139:sc= -0.514 (180deg=-0.858) USER MOD Single : A 93 THR OG1 : rot 27:sc= 0.0911 USER MOD Single : A 97 TYR OH : rot 80:sc= 0.686 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 107 LYS NZ :NH3+ -136:sc= -0.166 (180deg=-2.29!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 88:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -4.992 -13.155 -2.471 1.00 0.00 N ATOM 67 CA PRO A 8 -3.765 -12.851 -1.728 1.00 0.00 C ATOM 68 C PRO A 8 -3.914 -11.617 -0.844 1.00 0.00 C ATOM 69 O PRO A 8 -3.578 -11.645 0.340 1.00 0.00 O ATOM 70 CB PRO A 8 -2.736 -12.597 -2.832 1.00 0.00 C ATOM 71 CG PRO A 8 -3.541 -12.161 -4.008 1.00 0.00 C ATOM 72 CD PRO A 8 -4.845 -12.904 -3.914 1.00 0.00 C ATOM 0 HA PRO A 8 -3.490 -13.657 -1.047 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.020 -11.830 -2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.165 -13.498 -3.055 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.704 -11.083 -3.992 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.026 -12.392 -4.941 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.673 -12.313 -4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.820 -13.833 -4.483 1.00 0.00 H new ATOM 80 N VAL A 9 -4.421 -10.535 -1.427 1.00 0.00 N ATOM 81 CA VAL A 9 -4.616 -9.291 -0.692 1.00 0.00 C ATOM 82 C VAL A 9 -6.078 -8.862 -0.716 1.00 0.00 C ATOM 83 O VAL A 9 -6.723 -8.871 -1.765 1.00 0.00 O ATOM 84 CB VAL A 9 -3.749 -8.156 -1.269 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.711 -8.233 -2.788 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.269 -6.803 -0.808 1.00 0.00 C ATOM 0 H VAL A 9 -4.704 -10.495 -2.406 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.313 -9.481 0.338 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.731 -8.274 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.094 -7.423 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.289 -9.190 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.723 -8.140 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.645 -6.012 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.296 -6.673 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.239 -6.753 0.280 1.00 0.00 H new ATOM 96 N LYS A 10 -6.598 -8.485 0.447 1.00 0.00 N ATOM 97 CA LYS A 10 -7.985 -8.049 0.561 1.00 0.00 C ATOM 98 C LYS A 10 -8.216 -6.760 -0.220 1.00 0.00 C ATOM 99 O LYS A 10 -7.325 -5.917 -0.326 1.00 0.00 O ATOM 100 CB LYS A 10 -8.356 -7.841 2.031 1.00 0.00 C ATOM 101 CG LYS A 10 -8.928 -9.081 2.696 1.00 0.00 C ATOM 102 CD LYS A 10 -8.616 -9.111 4.182 1.00 0.00 C ATOM 103 CE LYS A 10 -9.701 -8.421 4.994 1.00 0.00 C ATOM 104 NZ LYS A 10 -9.674 -8.838 6.424 1.00 0.00 N ATOM 0 H LYS A 10 -6.079 -8.473 1.325 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.621 -8.827 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.470 -7.521 2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.084 -7.032 2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.008 -9.108 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.519 -9.972 2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.515 -10.145 4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.658 -8.623 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.572 -7.341 4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.677 -8.652 4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.564 -9.321 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.875 -9.485 6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.564 -7.999 7.028 1.00 0.00 H new ATOM 118 N VAL A 11 -9.419 -6.612 -0.766 1.00 0.00 N ATOM 119 CA VAL A 11 -9.769 -5.424 -1.536 1.00 0.00 C ATOM 120 C VAL A 11 -10.748 -4.541 -0.770 1.00 0.00 C ATOM 121 O VAL A 11 -11.941 -4.839 -0.696 1.00 0.00 O ATOM 122 CB VAL A 11 -10.387 -5.798 -2.896 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.634 -4.551 -3.732 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.489 -6.777 -3.638 1.00 0.00 C ATOM 0 H VAL A 11 -10.168 -7.300 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.844 -4.873 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.347 -6.283 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.071 -4.835 -4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.319 -3.888 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.689 -4.035 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.941 -7.030 -4.597 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.514 -6.320 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.368 -7.682 -3.043 1.00 0.00 H new ATOM 134 N LEU A 12 -10.238 -3.454 -0.203 1.00 0.00 N ATOM 135 CA LEU A 12 -11.068 -2.527 0.558 1.00 0.00 C ATOM 136 C LEU A 12 -11.757 -1.529 -0.368 1.00 0.00 C ATOM 137 O LEU A 12 -11.183 -1.093 -1.366 1.00 0.00 O ATOM 138 CB LEU A 12 -10.220 -1.781 1.590 1.00 0.00 C ATOM 139 CG LEU A 12 -9.394 -2.653 2.535 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.462 -1.795 3.376 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.304 -3.486 3.426 1.00 0.00 C ATOM 0 H LEU A 12 -9.253 -3.193 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.834 -3.104 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.542 -1.112 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.881 -1.155 2.190 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.787 -3.331 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.882 -2.433 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.786 -1.244 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.049 -1.092 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.698 -4.100 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.938 -2.825 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.929 -4.130 2.807 1.00 0.00 H new ATOM 153 N VAL A 13 -12.991 -1.169 -0.028 1.00 0.00 N ATOM 154 CA VAL A 13 -13.757 -0.219 -0.826 1.00 0.00 C ATOM 155 C VAL A 13 -14.283 0.924 0.035 1.00 0.00 C ATOM 156 O VAL A 13 -14.365 0.808 1.257 1.00 0.00 O ATOM 157 CB VAL A 13 -14.943 -0.906 -1.529 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.452 -1.782 -2.672 1.00 0.00 C ATOM 159 CG2 VAL A 13 -15.754 -1.720 -0.532 1.00 0.00 C ATOM 0 H VAL A 13 -13.481 -1.521 0.794 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.079 0.181 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.591 -0.136 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.304 -2.259 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.919 -1.168 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.781 -2.547 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.588 -2.198 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.118 -2.483 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.138 -1.062 0.248 1.00 0.00 H new ATOM 169 N GLY A 14 -14.639 2.030 -0.612 1.00 0.00 N ATOM 170 CA GLY A 14 -15.154 3.178 0.110 1.00 0.00 C ATOM 171 C GLY A 14 -16.503 2.907 0.746 1.00 0.00 C ATOM 172 O GLY A 14 -17.070 3.774 1.411 1.00 0.00 O ATOM 0 H GLY A 14 -14.580 2.151 -1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.442 3.465 0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.241 4.023 -0.573 1.00 0.00 H new ATOM 176 N LYS A 15 -17.019 1.700 0.541 1.00 0.00 N ATOM 177 CA LYS A 15 -18.311 1.315 1.099 1.00 0.00 C ATOM 178 C LYS A 15 -18.142 0.688 2.479 1.00 0.00 C ATOM 179 O LYS A 15 -18.863 1.026 3.417 1.00 0.00 O ATOM 180 CB LYS A 15 -19.021 0.334 0.164 1.00 0.00 C ATOM 181 CG LYS A 15 -20.372 -0.129 0.681 1.00 0.00 C ATOM 182 CD LYS A 15 -20.244 -1.385 1.527 1.00 0.00 C ATOM 183 CE LYS A 15 -20.165 -2.634 0.662 1.00 0.00 C ATOM 184 NZ LYS A 15 -21.487 -2.984 0.071 1.00 0.00 N ATOM 0 H LYS A 15 -16.563 0.971 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.918 2.215 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.156 0.806 -0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.382 -0.536 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.828 0.665 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -21.038 -0.322 -0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.352 -1.316 2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -21.098 -1.460 2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.440 -2.477 -0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.803 -3.469 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.447 -3.945 -0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -22.219 -2.943 0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.719 -2.309 -0.685 1.00 0.00 H new ATOM 198 N ASN A 16 -17.184 -0.226 2.595 1.00 0.00 N ATOM 199 CA ASN A 16 -16.921 -0.900 3.862 1.00 0.00 C ATOM 200 C ASN A 16 -15.434 -0.858 4.202 1.00 0.00 C ATOM 201 O ASN A 16 -14.927 -1.713 4.928 1.00 0.00 O ATOM 202 CB ASN A 16 -17.400 -2.352 3.800 1.00 0.00 C ATOM 203 CG ASN A 16 -16.759 -3.124 2.663 1.00 0.00 C ATOM 204 OD1 ASN A 16 -17.404 -3.416 1.656 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.484 -3.460 2.821 1.00 0.00 N ATOM 0 H ASN A 16 -16.577 -0.517 1.828 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.470 -0.376 4.645 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.174 -2.847 4.744 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.483 -2.370 3.682 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.000 -3.982 2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.989 -3.196 3.673 1.00 0.00 H new ATOM 212 N PHE A 17 -14.740 0.144 3.672 1.00 0.00 N ATOM 213 CA PHE A 17 -13.311 0.299 3.918 1.00 0.00 C ATOM 214 C PHE A 17 -13.010 0.259 5.414 1.00 0.00 C ATOM 215 O PHE A 17 -12.287 -0.617 5.888 1.00 0.00 O ATOM 216 CB PHE A 17 -12.808 1.614 3.320 1.00 0.00 C ATOM 217 CG PHE A 17 -11.611 2.177 4.031 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.386 1.530 3.972 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.709 3.353 4.757 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.283 2.046 4.626 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.609 3.873 5.412 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.394 3.219 5.346 1.00 0.00 C ATOM 0 H PHE A 17 -15.144 0.861 3.069 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.793 -0.531 3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.556 1.454 2.272 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.614 2.347 3.346 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.293 0.613 3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.656 3.869 4.812 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.335 1.532 4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.699 4.790 5.975 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.533 3.624 5.856 1.00 0.00 H new ATOM 232 N GLU A 18 -13.568 1.215 6.149 1.00 0.00 N ATOM 233 CA GLU A 18 -13.358 1.290 7.590 1.00 0.00 C ATOM 234 C GLU A 18 -13.923 0.056 8.288 1.00 0.00 C ATOM 235 O GLU A 18 -13.438 -0.349 9.344 1.00 0.00 O ATOM 236 CB GLU A 18 -14.009 2.553 8.158 1.00 0.00 C ATOM 237 CG GLU A 18 -13.740 3.800 7.334 1.00 0.00 C ATOM 238 CD GLU A 18 -14.829 4.073 6.314 1.00 0.00 C ATOM 239 OE1 GLU A 18 -14.780 3.472 5.220 1.00 0.00 O ATOM 240 OE2 GLU A 18 -15.729 4.886 6.609 1.00 0.00 O ATOM 0 H GLU A 18 -14.168 1.948 5.771 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.284 1.330 7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.086 2.398 8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.646 2.713 9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.648 4.658 8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.785 3.692 6.820 1.00 0.00 H new ATOM 247 N ASP A 19 -14.950 -0.536 7.689 1.00 0.00 N ATOM 248 CA ASP A 19 -15.582 -1.724 8.251 1.00 0.00 C ATOM 249 C ASP A 19 -14.605 -2.896 8.282 1.00 0.00 C ATOM 250 O ASP A 19 -14.600 -3.689 9.224 1.00 0.00 O ATOM 251 CB ASP A 19 -16.823 -2.101 7.440 1.00 0.00 C ATOM 252 CG ASP A 19 -18.076 -1.414 7.947 1.00 0.00 C ATOM 253 OD1 ASP A 19 -18.132 -1.097 9.153 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.999 -1.193 7.136 1.00 0.00 O ATOM 0 H ASP A 19 -15.363 -0.213 6.814 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.882 -1.496 9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.665 -1.836 6.395 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.964 -3.181 7.478 1.00 0.00 H new ATOM 259 N VAL A 20 -13.779 -2.999 7.246 1.00 0.00 N ATOM 260 CA VAL A 20 -12.797 -4.073 7.154 1.00 0.00 C ATOM 261 C VAL A 20 -11.413 -3.589 7.569 1.00 0.00 C ATOM 262 O VAL A 20 -10.810 -4.125 8.499 1.00 0.00 O ATOM 263 CB VAL A 20 -12.722 -4.645 5.726 1.00 0.00 C ATOM 264 CG1 VAL A 20 -11.477 -5.501 5.558 1.00 0.00 C ATOM 265 CG2 VAL A 20 -13.976 -5.444 5.405 1.00 0.00 C ATOM 0 H VAL A 20 -13.770 -2.351 6.458 1.00 0.00 H new ATOM 0 HA VAL A 20 -13.123 -4.859 7.835 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.659 -3.814 5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.442 -5.896 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.591 -4.894 5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.505 -6.327 6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.905 -5.841 4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.073 -6.268 6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.849 -4.796 5.481 1.00 0.00 H new ATOM 275 N ALA A 21 -10.914 -2.572 6.875 1.00 0.00 N ATOM 276 CA ALA A 21 -9.601 -2.013 7.173 1.00 0.00 C ATOM 277 C ALA A 21 -9.438 -1.764 8.668 1.00 0.00 C ATOM 278 O ALA A 21 -8.560 -2.340 9.311 1.00 0.00 O ATOM 279 CB ALA A 21 -9.387 -0.724 6.394 1.00 0.00 C ATOM 0 H ALA A 21 -11.400 -2.118 6.102 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.846 -2.738 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.403 -0.318 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.452 -0.930 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.153 0.000 6.671 1.00 0.00 H new ATOM 285 N PHE A 22 -10.288 -0.902 9.216 1.00 0.00 N ATOM 286 CA PHE A 22 -10.236 -0.576 10.637 1.00 0.00 C ATOM 287 C PHE A 22 -10.897 -1.669 11.471 1.00 0.00 C ATOM 288 O PHE A 22 -12.095 -1.616 11.747 1.00 0.00 O ATOM 289 CB PHE A 22 -10.923 0.766 10.898 1.00 0.00 C ATOM 290 CG PHE A 22 -10.061 1.954 10.579 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.755 2.021 11.037 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.556 3.003 9.821 1.00 0.00 C ATOM 293 CE1 PHE A 22 -7.959 3.113 10.746 1.00 0.00 C ATOM 294 CE2 PHE A 22 -9.765 4.097 9.526 1.00 0.00 C ATOM 295 CZ PHE A 22 -8.464 4.152 9.989 1.00 0.00 C ATOM 0 H PHE A 22 -11.021 -0.417 8.698 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.189 -0.504 10.930 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -11.835 0.819 10.304 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.221 0.815 11.945 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.354 1.211 11.628 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.572 2.965 9.456 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.943 3.154 11.110 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.163 4.908 8.934 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.844 5.006 9.759 1.00 0.00 H new ATOM 305 N ASP A 23 -10.107 -2.660 11.868 1.00 0.00 N ATOM 306 CA ASP A 23 -10.613 -3.767 12.671 1.00 0.00 C ATOM 307 C ASP A 23 -9.846 -3.881 13.985 1.00 0.00 C ATOM 308 O ASP A 23 -8.619 -3.794 14.007 1.00 0.00 O ATOM 309 CB ASP A 23 -10.511 -5.079 11.892 1.00 0.00 C ATOM 310 CG ASP A 23 -11.745 -5.351 11.052 1.00 0.00 C ATOM 311 OD1 ASP A 23 -12.811 -4.780 11.362 1.00 0.00 O ATOM 312 OD2 ASP A 23 -11.643 -6.135 10.086 1.00 0.00 O ATOM 0 H ASP A 23 -9.113 -2.720 11.647 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.660 -3.569 12.898 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.634 -5.047 11.245 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.362 -5.902 12.590 1.00 0.00 H new ATOM 317 N GLU A 24 -10.579 -4.075 15.077 1.00 0.00 N ATOM 318 CA GLU A 24 -9.967 -4.199 16.395 1.00 0.00 C ATOM 319 C GLU A 24 -9.130 -5.471 16.489 1.00 0.00 C ATOM 320 O GLU A 24 -9.380 -6.447 15.781 1.00 0.00 O ATOM 321 CB GLU A 24 -11.043 -4.201 17.483 1.00 0.00 C ATOM 322 CG GLU A 24 -10.522 -4.603 18.853 1.00 0.00 C ATOM 323 CD GLU A 24 -11.383 -4.073 19.983 1.00 0.00 C ATOM 324 OE1 GLU A 24 -11.325 -2.855 20.252 1.00 0.00 O ATOM 325 OE2 GLU A 24 -12.115 -4.876 20.598 1.00 0.00 O ATOM 0 H GLU A 24 -11.596 -4.150 15.075 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.311 -3.342 16.545 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.483 -3.206 17.549 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.841 -4.884 17.192 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.476 -5.690 18.915 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.504 -4.233 18.973 1.00 0.00 H new ATOM 332 N LYS A 25 -8.134 -5.453 17.368 1.00 0.00 N ATOM 333 CA LYS A 25 -7.259 -6.604 17.557 1.00 0.00 C ATOM 334 C LYS A 25 -6.847 -7.201 16.215 1.00 0.00 C ATOM 335 O LYS A 25 -6.750 -8.419 16.069 1.00 0.00 O ATOM 336 CB LYS A 25 -7.957 -7.667 18.408 1.00 0.00 C ATOM 337 CG LYS A 25 -7.871 -7.405 19.901 1.00 0.00 C ATOM 338 CD LYS A 25 -6.494 -7.742 20.448 1.00 0.00 C ATOM 339 CE LYS A 25 -6.399 -9.203 20.858 1.00 0.00 C ATOM 340 NZ LYS A 25 -5.015 -9.578 21.259 1.00 0.00 N ATOM 0 H LYS A 25 -7.912 -4.653 17.961 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.361 -6.265 18.074 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.006 -7.722 18.117 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.516 -8.640 18.193 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.097 -6.358 20.101 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.625 -7.998 20.419 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.738 -7.525 19.693 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.277 -7.107 21.307 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.081 -9.393 21.687 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.721 -9.834 20.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.992 -10.581 21.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.368 -9.421 20.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.717 -8.994 22.066 1.00 0.00 H new ATOM 354 N LYS A 26 -6.606 -6.335 15.237 1.00 0.00 N ATOM 355 CA LYS A 26 -6.202 -6.775 13.907 1.00 0.00 C ATOM 356 C LYS A 26 -5.364 -5.707 13.211 1.00 0.00 C ATOM 357 O LYS A 26 -5.813 -4.578 13.023 1.00 0.00 O ATOM 358 CB LYS A 26 -7.433 -7.104 13.060 1.00 0.00 C ATOM 359 CG LYS A 26 -7.116 -7.350 11.595 1.00 0.00 C ATOM 360 CD LYS A 26 -6.589 -8.757 11.367 1.00 0.00 C ATOM 361 CE LYS A 26 -7.599 -9.808 11.803 1.00 0.00 C ATOM 362 NZ LYS A 26 -7.402 -10.211 13.223 1.00 0.00 N ATOM 0 H LYS A 26 -6.684 -5.323 15.341 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.594 -7.673 14.018 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.920 -7.988 13.471 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.146 -6.283 13.136 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.014 -7.195 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.377 -6.624 11.255 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.354 -8.892 10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.659 -8.893 11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.608 -9.418 11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.511 -10.685 11.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.053 -11.190 13.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.708 -9.578 13.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.307 -10.147 13.731 1.00 0.00 H new ATOM 376 N ASN A 27 -4.144 -6.074 12.831 1.00 0.00 N ATOM 377 CA ASN A 27 -3.244 -5.146 12.154 1.00 0.00 C ATOM 378 C ASN A 27 -3.432 -5.211 10.642 1.00 0.00 C ATOM 379 O ASN A 27 -2.811 -6.029 9.963 1.00 0.00 O ATOM 380 CB ASN A 27 -1.790 -5.461 12.513 1.00 0.00 C ATOM 381 CG ASN A 27 -1.570 -5.546 14.011 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.625 -6.759 14.549 1.00 0.00 O flip ATOM 383 ND2 ASN A 27 -1.352 -4.534 14.676 1.00 0.00 N flip ATOM 0 H ASN A 27 -3.756 -7.006 12.980 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.484 -4.137 12.488 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.501 -6.405 12.052 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.141 -4.691 12.096 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.318 -3.622 14.221 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.205 -4.607 15.683 1.00 0.00 H new ATOM 390 N VAL A 28 -4.293 -4.343 10.120 1.00 0.00 N ATOM 391 CA VAL A 28 -4.562 -4.300 8.688 1.00 0.00 C ATOM 392 C VAL A 28 -3.721 -3.228 8.003 1.00 0.00 C ATOM 393 O VAL A 28 -3.816 -2.045 8.332 1.00 0.00 O ATOM 394 CB VAL A 28 -6.051 -4.028 8.404 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.302 -3.941 6.907 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.919 -5.105 9.038 1.00 0.00 C ATOM 0 H VAL A 28 -4.816 -3.660 10.668 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.296 -5.278 8.287 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.319 -3.069 8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.359 -3.748 6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.708 -3.130 6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.019 -4.882 6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.968 -4.897 8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.652 -6.078 8.625 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.760 -5.113 10.116 1.00 0.00 H new ATOM 406 N PHE A 29 -2.899 -3.650 7.048 1.00 0.00 N ATOM 407 CA PHE A 29 -2.040 -2.726 6.316 1.00 0.00 C ATOM 408 C PHE A 29 -2.625 -2.414 4.941 1.00 0.00 C ATOM 409 O PHE A 29 -2.484 -3.197 4.002 1.00 0.00 O ATOM 410 CB PHE A 29 -0.636 -3.313 6.164 1.00 0.00 C ATOM 411 CG PHE A 29 0.344 -2.369 5.527 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.186 -0.998 5.654 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.421 -2.852 4.802 1.00 0.00 C ATOM 414 CE1 PHE A 29 1.086 -0.126 5.070 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.324 -1.984 4.217 1.00 0.00 C ATOM 416 CZ PHE A 29 2.156 -0.620 4.350 1.00 0.00 C ATOM 0 H PHE A 29 -2.809 -4.625 6.763 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.978 -1.798 6.885 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.263 -3.602 7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.694 -4.222 5.565 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.649 -0.606 6.215 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.557 -3.918 4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.952 0.940 5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.161 -2.373 3.656 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.860 0.059 3.892 1.00 0.00 H new ATOM 426 N VAL A 30 -3.282 -1.263 4.831 1.00 0.00 N ATOM 427 CA VAL A 30 -3.887 -0.846 3.573 1.00 0.00 C ATOM 428 C VAL A 30 -2.860 -0.186 2.660 1.00 0.00 C ATOM 429 O VAL A 30 -1.810 0.265 3.117 1.00 0.00 O ATOM 430 CB VAL A 30 -5.053 0.134 3.808 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.768 0.437 2.501 1.00 0.00 C ATOM 432 CG2 VAL A 30 -6.021 -0.429 4.838 1.00 0.00 C ATOM 0 H VAL A 30 -3.408 -0.603 5.599 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.270 -1.747 3.093 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.648 1.068 4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.588 1.130 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.066 0.885 1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.163 -0.487 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.838 0.275 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.422 -1.377 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.497 -0.589 5.780 1.00 0.00 H new ATOM 442 N GLU A 31 -3.170 -0.133 1.369 1.00 0.00 N ATOM 443 CA GLU A 31 -2.273 0.473 0.392 1.00 0.00 C ATOM 444 C GLU A 31 -3.054 1.295 -0.629 1.00 0.00 C ATOM 445 O GLU A 31 -3.703 0.746 -1.519 1.00 0.00 O ATOM 446 CB GLU A 31 -1.458 -0.608 -0.323 1.00 0.00 C ATOM 447 CG GLU A 31 -0.861 -0.147 -1.642 1.00 0.00 C ATOM 448 CD GLU A 31 -0.262 -1.287 -2.442 1.00 0.00 C ATOM 449 OE1 GLU A 31 -0.997 -1.896 -3.247 1.00 0.00 O ATOM 450 OE2 GLU A 31 0.940 -1.571 -2.262 1.00 0.00 O ATOM 0 H GLU A 31 -4.035 -0.502 0.975 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.594 1.139 0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.654 -0.939 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.097 -1.472 -0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.634 0.341 -2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.090 0.599 -1.447 1.00 0.00 H new ATOM 457 N PHE A 32 -2.987 2.615 -0.492 1.00 0.00 N ATOM 458 CA PHE A 32 -3.688 3.515 -1.400 1.00 0.00 C ATOM 459 C PHE A 32 -2.910 3.691 -2.701 1.00 0.00 C ATOM 460 O PHE A 32 -1.970 4.483 -2.772 1.00 0.00 O ATOM 461 CB PHE A 32 -3.908 4.876 -0.736 1.00 0.00 C ATOM 462 CG PHE A 32 -4.773 4.812 0.490 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.152 4.909 0.386 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.209 4.656 1.745 1.00 0.00 C ATOM 465 CE1 PHE A 32 -6.952 4.850 1.512 1.00 0.00 C ATOM 466 CE2 PHE A 32 -5.004 4.596 2.874 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.377 4.695 2.758 1.00 0.00 C ATOM 0 H PHE A 32 -2.454 3.085 0.240 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.656 3.072 -1.633 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.941 5.301 -0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.364 5.554 -1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.607 5.032 -0.586 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.136 4.580 1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.025 4.925 1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.552 4.472 3.847 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.999 4.651 3.640 1.00 0.00 H new ATOM 477 N TYR A 33 -3.307 2.945 -3.726 1.00 0.00 N ATOM 478 CA TYR A 33 -2.645 3.015 -5.023 1.00 0.00 C ATOM 479 C TYR A 33 -3.499 3.782 -6.029 1.00 0.00 C ATOM 480 O TYR A 33 -4.643 4.135 -5.747 1.00 0.00 O ATOM 481 CB TYR A 33 -2.357 1.608 -5.549 1.00 0.00 C ATOM 482 CG TYR A 33 -3.602 0.835 -5.922 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.267 1.083 -7.117 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.112 -0.146 -5.080 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.404 0.380 -7.461 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.248 -0.856 -5.417 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.891 -0.589 -6.608 1.00 0.00 C ATOM 488 OH TYR A 33 -7.023 -1.293 -6.948 1.00 0.00 O ATOM 0 H TYR A 33 -4.084 2.285 -3.684 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.702 3.547 -4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.709 1.681 -6.423 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.807 1.051 -4.790 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.887 1.839 -7.788 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.612 -0.357 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.910 0.587 -8.393 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.631 -1.616 -4.752 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.232 -1.938 -6.240 1.00 0.00 H new ATOM 498 N ALA A 34 -2.932 4.035 -7.205 1.00 0.00 N ATOM 499 CA ALA A 34 -3.641 4.756 -8.255 1.00 0.00 C ATOM 500 C ALA A 34 -3.592 3.993 -9.574 1.00 0.00 C ATOM 501 O ALA A 34 -2.555 3.464 -9.975 1.00 0.00 O ATOM 502 CB ALA A 34 -3.053 6.149 -8.426 1.00 0.00 C ATOM 0 H ALA A 34 -1.984 3.751 -7.454 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.686 4.848 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.591 6.677 -9.213 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.146 6.700 -7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.000 6.069 -8.697 1.00 0.00 H new ATOM 508 N PRO A 35 -4.739 3.932 -10.266 1.00 0.00 N ATOM 509 CA PRO A 35 -4.853 3.236 -11.551 1.00 0.00 C ATOM 510 C PRO A 35 -4.103 3.954 -12.668 1.00 0.00 C ATOM 511 O PRO A 35 -4.001 3.447 -13.785 1.00 0.00 O ATOM 512 CB PRO A 35 -6.359 3.243 -11.826 1.00 0.00 C ATOM 513 CG PRO A 35 -6.876 4.421 -11.074 1.00 0.00 C ATOM 514 CD PRO A 35 -6.014 4.539 -9.848 1.00 0.00 C ATOM 0 HA PRO A 35 -4.418 2.237 -11.514 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.566 3.332 -12.892 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.828 2.320 -11.486 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.820 5.326 -11.679 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.923 4.283 -10.803 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.884 5.579 -9.547 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.450 4.013 -8.999 1.00 0.00 H new ATOM 522 N TRP A 36 -3.581 5.135 -12.359 1.00 0.00 N ATOM 523 CA TRP A 36 -2.840 5.922 -13.338 1.00 0.00 C ATOM 524 C TRP A 36 -1.402 6.145 -12.881 1.00 0.00 C ATOM 525 O TRP A 36 -0.468 6.069 -13.680 1.00 0.00 O ATOM 526 CB TRP A 36 -3.529 7.268 -13.568 1.00 0.00 C ATOM 527 CG TRP A 36 -4.299 7.752 -12.377 1.00 0.00 C ATOM 528 CD1 TRP A 36 -5.622 7.541 -12.115 1.00 0.00 C ATOM 529 CD2 TRP A 36 -3.792 8.532 -11.288 1.00 0.00 C ATOM 530 NE1 TRP A 36 -5.968 8.142 -10.928 1.00 0.00 N ATOM 531 CE2 TRP A 36 -4.863 8.756 -10.401 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.537 9.061 -10.975 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -4.715 9.486 -9.225 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.391 9.786 -9.808 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.475 9.993 -8.944 1.00 0.00 C ATOM 0 H TRP A 36 -3.657 5.569 -11.439 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.822 5.366 -14.275 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.778 8.012 -13.833 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.205 7.181 -14.418 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.298 6.984 -12.747 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.897 8.132 -10.508 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.696 8.906 -11.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.549 9.647 -8.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.426 10.200 -9.557 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.329 10.564 -8.039 1.00 0.00 H new ATOM 546 N CYS A 37 -1.232 6.422 -11.593 1.00 0.00 N ATOM 547 CA CYS A 37 0.093 6.657 -11.030 1.00 0.00 C ATOM 548 C CYS A 37 1.065 5.559 -11.451 1.00 0.00 C ATOM 549 O CYS A 37 0.914 4.400 -11.066 1.00 0.00 O ATOM 550 CB CYS A 37 0.017 6.729 -9.504 1.00 0.00 C ATOM 551 SG CYS A 37 1.549 7.272 -8.713 1.00 0.00 S ATOM 0 H CYS A 37 -1.995 6.489 -10.919 1.00 0.00 H new ATOM 0 HA CYS A 37 0.460 7.609 -11.413 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.786 7.411 -9.223 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.250 5.745 -9.117 1.00 0.00 H new ATOM 0 HG CYS A 37 1.269 8.075 -7.729 1.00 0.00 H new ATOM 557 N GLY A 38 2.064 5.932 -12.245 1.00 0.00 N ATOM 558 CA GLY A 38 3.045 4.968 -12.707 1.00 0.00 C ATOM 559 C GLY A 38 3.685 4.201 -11.567 1.00 0.00 C ATOM 560 O GLY A 38 3.651 2.971 -11.540 1.00 0.00 O ATOM 0 H GLY A 38 2.211 6.885 -12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.566 4.266 -13.390 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.820 5.485 -13.273 1.00 0.00 H new ATOM 564 N HIS A 39 4.273 4.929 -10.623 1.00 0.00 N ATOM 565 CA HIS A 39 4.926 4.310 -9.475 1.00 0.00 C ATOM 566 C HIS A 39 4.028 3.248 -8.847 1.00 0.00 C ATOM 567 O HIS A 39 4.504 2.200 -8.407 1.00 0.00 O ATOM 568 CB HIS A 39 5.287 5.370 -8.434 1.00 0.00 C ATOM 569 CG HIS A 39 6.306 6.357 -8.912 1.00 0.00 C ATOM 570 ND1 HIS A 39 7.606 6.380 -8.453 1.00 0.00 N ATOM 571 CD2 HIS A 39 6.210 7.360 -9.816 1.00 0.00 C ATOM 572 CE1 HIS A 39 8.266 7.354 -9.053 1.00 0.00 C ATOM 573 NE2 HIS A 39 7.442 7.965 -9.885 1.00 0.00 N ATOM 0 H HIS A 39 4.311 5.948 -10.630 1.00 0.00 H new ATOM 0 HA HIS A 39 5.840 3.828 -9.824 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.383 5.905 -8.144 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.665 4.875 -7.539 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.329 7.634 -10.378 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.303 7.608 -8.891 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.681 8.757 -10.482 1.00 0.00 H new ATOM 582 N CYS A 40 2.730 3.525 -8.809 1.00 0.00 N ATOM 583 CA CYS A 40 1.765 2.594 -8.234 1.00 0.00 C ATOM 584 C CYS A 40 1.661 1.328 -9.078 1.00 0.00 C ATOM 585 O CYS A 40 1.593 0.219 -8.549 1.00 0.00 O ATOM 586 CB CYS A 40 0.392 3.257 -8.116 1.00 0.00 C ATOM 587 SG CYS A 40 0.288 4.512 -6.819 1.00 0.00 S ATOM 0 H CYS A 40 2.321 4.387 -9.170 1.00 0.00 H new ATOM 0 HA CYS A 40 2.113 2.318 -7.239 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.138 3.716 -9.072 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.356 2.488 -7.923 1.00 0.00 H new ATOM 0 HG CYS A 40 0.770 5.635 -7.262 1.00 0.00 H new ATOM 593 N LYS A 41 1.649 1.502 -10.396 1.00 0.00 N ATOM 594 CA LYS A 41 1.552 0.374 -11.315 1.00 0.00 C ATOM 595 C LYS A 41 2.620 -0.671 -11.009 1.00 0.00 C ATOM 596 O LYS A 41 2.464 -1.846 -11.339 1.00 0.00 O ATOM 597 CB LYS A 41 1.695 0.855 -12.761 1.00 0.00 C ATOM 598 CG LYS A 41 0.656 1.888 -13.163 1.00 0.00 C ATOM 599 CD LYS A 41 0.750 2.227 -14.642 1.00 0.00 C ATOM 600 CE LYS A 41 -0.461 3.019 -15.110 1.00 0.00 C ATOM 601 NZ LYS A 41 -0.181 3.769 -16.366 1.00 0.00 N ATOM 0 H LYS A 41 1.705 2.413 -10.851 1.00 0.00 H new ATOM 0 HA LYS A 41 0.572 -0.085 -11.185 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.689 1.280 -12.897 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.620 -0.003 -13.430 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.341 1.509 -12.938 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.794 2.793 -12.572 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.657 2.803 -14.827 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.832 1.308 -15.223 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.299 2.340 -15.271 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.762 3.717 -14.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.031 4.296 -16.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.602 4.435 -16.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.082 3.101 -17.118 1.00 0.00 H new ATOM 615 N GLN A 42 3.704 -0.234 -10.374 1.00 0.00 N ATOM 616 CA GLN A 42 4.797 -1.133 -10.023 1.00 0.00 C ATOM 617 C GLN A 42 4.554 -1.780 -8.663 1.00 0.00 C ATOM 618 O GLN A 42 5.118 -2.830 -8.354 1.00 0.00 O ATOM 619 CB GLN A 42 6.125 -0.375 -10.010 1.00 0.00 C ATOM 620 CG GLN A 42 6.564 0.106 -11.384 1.00 0.00 C ATOM 621 CD GLN A 42 7.340 -0.947 -12.150 1.00 0.00 C ATOM 622 OE1 GLN A 42 8.571 -0.959 -12.139 1.00 0.00 O ATOM 623 NE2 GLN A 42 6.622 -1.840 -12.822 1.00 0.00 N ATOM 0 H GLN A 42 3.848 0.736 -10.093 1.00 0.00 H new ATOM 0 HA GLN A 42 4.843 -1.919 -10.776 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.037 0.484 -9.344 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.899 -1.021 -9.596 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.686 0.396 -11.961 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.181 0.998 -11.273 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.603 -1.793 -12.804 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.089 -2.573 -13.356 1.00 0.00 H new ATOM 632 N LEU A 43 3.711 -1.147 -7.855 1.00 0.00 N ATOM 633 CA LEU A 43 3.393 -1.660 -6.527 1.00 0.00 C ATOM 634 C LEU A 43 2.293 -2.715 -6.600 1.00 0.00 C ATOM 635 O LEU A 43 2.099 -3.489 -5.663 1.00 0.00 O ATOM 636 CB LEU A 43 2.960 -0.518 -5.607 1.00 0.00 C ATOM 637 CG LEU A 43 3.073 -0.785 -4.105 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.531 -0.908 -3.693 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.383 0.317 -3.314 1.00 0.00 C ATOM 0 H LEU A 43 3.235 -0.278 -8.096 1.00 0.00 H new ATOM 0 HA LEU A 43 4.291 -2.125 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.559 0.361 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.924 -0.268 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 43 2.574 -1.729 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.592 -1.098 -2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.994 -1.733 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.055 0.019 -3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.473 0.111 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.852 1.275 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.329 0.356 -3.588 1.00 0.00 H new ATOM 651 N ALA A 44 1.577 -2.739 -7.719 1.00 0.00 N ATOM 652 CA ALA A 44 0.500 -3.701 -7.916 1.00 0.00 C ATOM 653 C ALA A 44 0.967 -5.119 -7.610 1.00 0.00 C ATOM 654 O ALA A 44 0.374 -5.834 -6.802 1.00 0.00 O ATOM 655 CB ALA A 44 -0.032 -3.613 -9.339 1.00 0.00 C ATOM 0 H ALA A 44 1.723 -2.103 -8.503 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.305 -3.455 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.836 -4.337 -9.472 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.414 -2.609 -9.523 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.772 -3.830 -10.042 1.00 0.00 H new ATOM 661 N PRO A 45 2.057 -5.539 -8.270 1.00 0.00 N ATOM 662 CA PRO A 45 2.628 -6.877 -8.085 1.00 0.00 C ATOM 663 C PRO A 45 3.273 -7.047 -6.714 1.00 0.00 C ATOM 664 O PRO A 45 2.992 -8.010 -6.001 1.00 0.00 O ATOM 665 CB PRO A 45 3.685 -6.967 -9.189 1.00 0.00 C ATOM 666 CG PRO A 45 4.061 -5.553 -9.469 1.00 0.00 C ATOM 667 CD PRO A 45 2.815 -4.741 -9.248 1.00 0.00 C ATOM 0 HA PRO A 45 1.868 -7.656 -8.140 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.548 -7.549 -8.865 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.287 -7.455 -10.079 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.863 -5.224 -8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.424 -5.441 -10.491 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.046 -3.748 -8.864 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.256 -4.603 -10.173 1.00 0.00 H new ATOM 675 N ILE A 46 4.139 -6.106 -6.352 1.00 0.00 N ATOM 676 CA ILE A 46 4.822 -6.152 -5.065 1.00 0.00 C ATOM 677 C ILE A 46 3.824 -6.241 -3.916 1.00 0.00 C ATOM 678 O ILE A 46 4.051 -6.953 -2.937 1.00 0.00 O ATOM 679 CB ILE A 46 5.717 -4.915 -4.859 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.738 -4.803 -5.992 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.419 -4.989 -3.511 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.129 -3.378 -6.315 1.00 0.00 C ATOM 0 H ILE A 46 4.384 -5.303 -6.931 1.00 0.00 H new ATOM 0 HA ILE A 46 5.446 -7.045 -5.070 1.00 0.00 H new ATOM 0 HB ILE A 46 5.089 -4.024 -4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.632 -5.364 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.328 -5.270 -6.887 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.048 -4.108 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.675 -5.026 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.038 -5.886 -3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.856 -3.375 -7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.244 -2.818 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.569 -2.913 -5.433 1.00 0.00 H new ATOM 694 N TRP A 47 2.719 -5.515 -4.042 1.00 0.00 N ATOM 695 CA TRP A 47 1.685 -5.514 -3.013 1.00 0.00 C ATOM 696 C TRP A 47 0.941 -6.845 -2.987 1.00 0.00 C ATOM 697 O TRP A 47 0.534 -7.318 -1.926 1.00 0.00 O ATOM 698 CB TRP A 47 0.699 -4.370 -3.254 1.00 0.00 C ATOM 699 CG TRP A 47 -0.197 -4.100 -2.083 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.547 -4.293 -2.022 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.195 -3.587 -0.805 1.00 0.00 C ATOM 702 NE1 TRP A 47 -2.019 -3.930 -0.783 1.00 0.00 N ATOM 703 CE2 TRP A 47 -0.969 -3.495 -0.018 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.417 -3.199 -0.248 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -0.946 -3.030 1.294 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.438 -2.737 1.054 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.264 -2.656 1.814 1.00 0.00 C ATOM 0 H TRP A 47 2.516 -4.920 -4.845 1.00 0.00 H new ATOM 0 HA TRP A 47 2.169 -5.371 -2.047 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.256 -3.464 -3.492 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.086 -4.605 -4.124 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.155 -4.675 -2.829 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -2.993 -3.977 -0.482 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.328 -3.259 -0.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.850 -2.967 1.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.376 -2.433 1.494 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.314 -2.292 2.829 1.00 0.00 H new ATOM 718 N ASP A 48 0.769 -7.444 -4.160 1.00 0.00 N ATOM 719 CA ASP A 48 0.075 -8.722 -4.270 1.00 0.00 C ATOM 720 C ASP A 48 0.954 -9.863 -3.766 1.00 0.00 C ATOM 721 O ASP A 48 0.454 -10.878 -3.281 1.00 0.00 O ATOM 722 CB ASP A 48 -0.334 -8.981 -5.721 1.00 0.00 C ATOM 723 CG ASP A 48 -0.512 -10.457 -6.018 1.00 0.00 C ATOM 724 OD1 ASP A 48 0.480 -11.208 -5.908 1.00 0.00 O ATOM 725 OD2 ASP A 48 -1.643 -10.861 -6.360 1.00 0.00 O ATOM 0 H ASP A 48 1.100 -7.066 -5.047 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.820 -8.675 -3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.266 -8.456 -5.932 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.423 -8.568 -6.388 1.00 0.00 H new ATOM 730 N LYS A 49 2.266 -9.689 -3.884 1.00 0.00 N ATOM 731 CA LYS A 49 3.216 -10.702 -3.441 1.00 0.00 C ATOM 732 C LYS A 49 3.337 -10.706 -1.920 1.00 0.00 C ATOM 733 O LYS A 49 3.664 -11.728 -1.316 1.00 0.00 O ATOM 734 CB LYS A 49 4.588 -10.456 -4.072 1.00 0.00 C ATOM 735 CG LYS A 49 4.694 -10.943 -5.507 1.00 0.00 C ATOM 736 CD LYS A 49 5.693 -10.121 -6.303 1.00 0.00 C ATOM 737 CE LYS A 49 7.115 -10.622 -6.098 1.00 0.00 C ATOM 738 NZ LYS A 49 7.436 -11.763 -7.000 1.00 0.00 N ATOM 0 H LYS A 49 2.696 -8.855 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 49 2.846 -11.676 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.806 -9.388 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.349 -10.953 -3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.995 -11.991 -5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.715 -10.889 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.440 -10.164 -7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.627 -9.075 -6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.817 -9.808 -6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.245 -10.931 -5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.413 -12.076 -6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.783 -12.550 -6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.336 -11.461 -7.990 1.00 0.00 H new ATOM 752 N LEU A 50 3.071 -9.558 -1.308 1.00 0.00 N ATOM 753 CA LEU A 50 3.149 -9.429 0.143 1.00 0.00 C ATOM 754 C LEU A 50 1.833 -9.838 0.798 1.00 0.00 C ATOM 755 O LEU A 50 1.823 -10.435 1.873 1.00 0.00 O ATOM 756 CB LEU A 50 3.498 -7.990 0.529 1.00 0.00 C ATOM 757 CG LEU A 50 2.977 -7.514 1.886 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.795 -8.123 3.015 1.00 0.00 C ATOM 759 CD2 LEU A 50 3.005 -5.995 1.965 1.00 0.00 C ATOM 0 H LEU A 50 2.799 -8.703 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 50 3.934 -10.095 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.583 -7.886 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.109 -7.324 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 50 1.944 -7.845 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.410 -7.773 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.724 -9.210 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.838 -7.823 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.631 -5.674 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.028 -5.643 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.376 -5.578 1.179 1.00 0.00 H new ATOM 771 N GLY A 51 0.724 -9.514 0.140 1.00 0.00 N ATOM 772 CA GLY A 51 -0.581 -9.857 0.672 1.00 0.00 C ATOM 773 C GLY A 51 -0.756 -11.351 0.859 1.00 0.00 C ATOM 774 O GLY A 51 -1.287 -11.798 1.875 1.00 0.00 O ATOM 0 H GLY A 51 0.707 -9.020 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.723 -9.355 1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.354 -9.485 -0.001 1.00 0.00 H new ATOM 778 N GLU A 52 -0.311 -12.126 -0.126 1.00 0.00 N ATOM 779 CA GLU A 52 -0.424 -13.578 -0.065 1.00 0.00 C ATOM 780 C GLU A 52 0.390 -14.139 1.096 1.00 0.00 C ATOM 781 O GLU A 52 0.091 -15.213 1.619 1.00 0.00 O ATOM 782 CB GLU A 52 0.045 -14.204 -1.381 1.00 0.00 C ATOM 783 CG GLU A 52 1.555 -14.215 -1.545 1.00 0.00 C ATOM 784 CD GLU A 52 2.025 -15.249 -2.550 1.00 0.00 C ATOM 785 OE1 GLU A 52 1.429 -15.325 -3.644 1.00 0.00 O ATOM 786 OE2 GLU A 52 2.989 -15.981 -2.242 1.00 0.00 O ATOM 0 H GLU A 52 0.131 -11.772 -0.975 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.473 -13.829 0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.326 -15.227 -1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.398 -13.656 -2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.890 -13.227 -1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.020 -14.414 -0.580 1.00 0.00 H new ATOM 793 N THR A 53 1.424 -13.405 1.496 1.00 0.00 N ATOM 794 CA THR A 53 2.283 -13.828 2.594 1.00 0.00 C ATOM 795 C THR A 53 1.551 -13.747 3.929 1.00 0.00 C ATOM 796 O THR A 53 1.757 -14.579 4.813 1.00 0.00 O ATOM 797 CB THR A 53 3.561 -12.971 2.670 1.00 0.00 C ATOM 798 OG1 THR A 53 4.318 -13.113 1.463 1.00 0.00 O ATOM 799 CG2 THR A 53 4.415 -13.378 3.861 1.00 0.00 C ATOM 0 H THR A 53 1.686 -12.514 1.075 1.00 0.00 H new ATOM 0 HA THR A 53 2.560 -14.864 2.397 1.00 0.00 H new ATOM 0 HB THR A 53 3.267 -11.929 2.793 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.920 -12.558 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.312 -12.759 3.894 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.846 -13.241 4.780 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.700 -14.425 3.763 1.00 0.00 H new ATOM 807 N TYR A 54 0.695 -12.741 4.068 1.00 0.00 N ATOM 808 CA TYR A 54 -0.067 -12.550 5.296 1.00 0.00 C ATOM 809 C TYR A 54 -1.565 -12.660 5.030 1.00 0.00 C ATOM 810 O TYR A 54 -2.376 -12.021 5.702 1.00 0.00 O ATOM 811 CB TYR A 54 0.254 -11.189 5.915 1.00 0.00 C ATOM 812 CG TYR A 54 1.727 -10.979 6.185 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.598 -10.625 5.163 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.247 -11.134 7.465 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.944 -10.433 5.405 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.592 -10.942 7.717 1.00 0.00 C ATOM 817 CZ TYR A 54 4.436 -10.593 6.684 1.00 0.00 C ATOM 818 OH TYR A 54 5.777 -10.401 6.930 1.00 0.00 O ATOM 0 H TYR A 54 0.511 -12.045 3.345 1.00 0.00 H new ATOM 0 HA TYR A 54 0.218 -13.335 5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.100 -10.403 5.248 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.297 -11.085 6.850 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.216 -10.498 4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.589 -11.409 8.276 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.607 -10.159 4.598 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.980 -11.065 8.717 1.00 0.00 H new ATOM 0 HH TYR A 54 5.960 -10.551 7.881 1.00 0.00 H new ATOM 828 N LYS A 55 -1.927 -13.475 4.045 1.00 0.00 N ATOM 829 CA LYS A 55 -3.327 -13.672 3.689 1.00 0.00 C ATOM 830 C LYS A 55 -4.019 -14.589 4.692 1.00 0.00 C ATOM 831 O LYS A 55 -5.229 -14.496 4.899 1.00 0.00 O ATOM 832 CB LYS A 55 -3.438 -14.261 2.281 1.00 0.00 C ATOM 833 CG LYS A 55 -3.065 -15.732 2.206 1.00 0.00 C ATOM 834 CD LYS A 55 -2.999 -16.218 0.768 1.00 0.00 C ATOM 835 CE LYS A 55 -2.014 -17.367 0.613 1.00 0.00 C ATOM 836 NZ LYS A 55 -2.091 -17.984 -0.740 1.00 0.00 N ATOM 0 H LYS A 55 -1.269 -14.010 3.478 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.822 -12.701 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.460 -14.135 1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.793 -13.696 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.100 -15.889 2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.797 -16.322 2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.989 -16.540 0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.704 -15.394 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.002 -17.004 0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.217 -18.125 1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.405 -18.763 -0.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.050 -18.353 -0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.872 -17.268 -1.461 1.00 0.00 H new ATOM 850 N ASP A 56 -3.245 -15.472 5.312 1.00 0.00 N ATOM 851 CA ASP A 56 -3.784 -16.404 6.296 1.00 0.00 C ATOM 852 C ASP A 56 -3.168 -16.160 7.670 1.00 0.00 C ATOM 853 O ASP A 56 -3.143 -17.053 8.518 1.00 0.00 O ATOM 854 CB ASP A 56 -3.527 -17.847 5.857 1.00 0.00 C ATOM 855 CG ASP A 56 -4.565 -18.810 6.398 1.00 0.00 C ATOM 856 OD1 ASP A 56 -4.613 -18.999 7.632 1.00 0.00 O ATOM 857 OD2 ASP A 56 -5.330 -19.373 5.588 1.00 0.00 O ATOM 0 H ASP A 56 -2.242 -15.562 5.151 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.859 -16.239 6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.522 -17.897 4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.538 -18.156 6.195 1.00 0.00 H new ATOM 862 N HIS A 57 -2.672 -14.945 7.884 1.00 0.00 N ATOM 863 CA HIS A 57 -2.056 -14.584 9.155 1.00 0.00 C ATOM 864 C HIS A 57 -3.092 -14.567 10.276 1.00 0.00 C ATOM 865 O HIS A 57 -4.252 -14.918 10.065 1.00 0.00 O ATOM 866 CB HIS A 57 -1.381 -13.216 9.049 1.00 0.00 C ATOM 867 CG HIS A 57 -0.094 -13.122 9.808 1.00 0.00 C ATOM 868 ND1 HIS A 57 -0.019 -12.670 11.109 1.00 0.00 N ATOM 869 CD2 HIS A 57 1.173 -13.428 9.444 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.239 -12.700 11.511 1.00 0.00 C ATOM 871 NE2 HIS A 57 1.983 -13.156 10.519 1.00 0.00 N ATOM 0 H HIS A 57 -2.685 -14.194 7.193 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.303 -15.335 9.391 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.191 -12.995 7.999 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.067 -12.452 9.417 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.488 -13.814 8.486 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.598 -12.402 12.485 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.994 -13.285 10.547 1.00 0.00 H new ATOM 880 N GLU A 58 -2.663 -14.158 11.466 1.00 0.00 N ATOM 881 CA GLU A 58 -3.554 -14.098 12.618 1.00 0.00 C ATOM 882 C GLU A 58 -4.004 -12.664 12.884 1.00 0.00 C ATOM 883 O GLU A 58 -5.194 -12.397 13.048 1.00 0.00 O ATOM 884 CB GLU A 58 -2.858 -14.663 13.858 1.00 0.00 C ATOM 885 CG GLU A 58 -1.968 -13.657 14.569 1.00 0.00 C ATOM 886 CD GLU A 58 -1.259 -14.252 15.770 1.00 0.00 C ATOM 887 OE1 GLU A 58 -0.256 -14.969 15.573 1.00 0.00 O ATOM 888 OE2 GLU A 58 -1.708 -14.000 16.908 1.00 0.00 O ATOM 0 H GLU A 58 -1.705 -13.864 11.657 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.434 -14.702 12.396 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.614 -15.023 14.556 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.257 -15.524 13.566 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.227 -13.274 13.868 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.571 -12.808 14.891 1.00 0.00 H new ATOM 895 N ASN A 59 -3.044 -11.747 12.925 1.00 0.00 N ATOM 896 CA ASN A 59 -3.340 -10.340 13.172 1.00 0.00 C ATOM 897 C ASN A 59 -2.966 -9.485 11.965 1.00 0.00 C ATOM 898 O ASN A 59 -3.546 -8.423 11.740 1.00 0.00 O ATOM 899 CB ASN A 59 -2.590 -9.849 14.412 1.00 0.00 C ATOM 900 CG ASN A 59 -1.091 -9.779 14.190 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.382 -10.820 14.609 1.00 0.00 O flip ATOM 902 ND2 ASN A 59 -0.578 -8.799 13.649 1.00 0.00 N flip ATOM 0 H ASN A 59 -2.054 -11.952 12.790 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.412 -10.245 13.343 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.960 -8.862 14.690 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.800 -10.516 15.248 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.163 -8.021 13.343 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.432 -8.765 13.507 1.00 0.00 H new ATOM 909 N ILE A 60 -1.993 -9.957 11.192 1.00 0.00 N ATOM 910 CA ILE A 60 -1.542 -9.237 10.008 1.00 0.00 C ATOM 911 C ILE A 60 -2.450 -9.518 8.815 1.00 0.00 C ATOM 912 O ILE A 60 -2.512 -10.643 8.320 1.00 0.00 O ATOM 913 CB ILE A 60 -0.095 -9.612 9.637 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.830 -9.415 10.840 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.381 -8.783 8.454 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.295 -9.596 10.511 1.00 0.00 C ATOM 0 H ILE A 60 -1.502 -10.834 11.365 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.582 -8.175 10.251 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.070 -10.664 9.351 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.678 -8.415 11.245 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.551 -10.121 11.622 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.405 -9.060 8.204 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.265 -8.969 7.596 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.344 -7.725 8.713 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.892 -9.442 11.410 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.461 -10.605 10.134 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.590 -8.872 9.751 1.00 0.00 H new ATOM 928 N VAL A 61 -3.152 -8.487 8.357 1.00 0.00 N ATOM 929 CA VAL A 61 -4.055 -8.621 7.220 1.00 0.00 C ATOM 930 C VAL A 61 -3.803 -7.530 6.185 1.00 0.00 C ATOM 931 O VAL A 61 -4.137 -6.365 6.403 1.00 0.00 O ATOM 932 CB VAL A 61 -5.529 -8.562 7.663 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.414 -8.104 6.514 1.00 0.00 C ATOM 934 CG2 VAL A 61 -5.982 -9.915 8.189 1.00 0.00 C ATOM 0 H VAL A 61 -3.113 -7.549 8.756 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.856 -9.595 6.773 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.618 -7.836 8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.452 -8.068 6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.103 -7.111 6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.323 -8.804 5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.026 -9.855 8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.878 -10.664 7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.367 -10.198 9.043 1.00 0.00 H new ATOM 944 N ILE A 62 -3.211 -7.916 5.060 1.00 0.00 N ATOM 945 CA ILE A 62 -2.915 -6.970 3.990 1.00 0.00 C ATOM 946 C ILE A 62 -4.171 -6.630 3.195 1.00 0.00 C ATOM 947 O ILE A 62 -5.029 -7.484 2.974 1.00 0.00 O ATOM 948 CB ILE A 62 -1.846 -7.524 3.029 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.559 -7.843 3.793 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.573 -6.528 1.912 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.147 -6.616 4.326 1.00 0.00 C ATOM 0 H ILE A 62 -2.927 -8.876 4.865 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.532 -6.066 4.464 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.220 -8.446 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.795 -8.507 4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.120 -8.386 3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.816 -6.933 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.492 -6.345 1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.216 -5.591 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.050 -6.918 4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.414 -5.961 3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.514 -6.084 5.010 1.00 0.00 H new ATOM 963 N ALA A 63 -4.270 -5.376 2.765 1.00 0.00 N ATOM 964 CA ALA A 63 -5.419 -4.923 1.990 1.00 0.00 C ATOM 965 C ALA A 63 -5.033 -3.786 1.050 1.00 0.00 C ATOM 966 O ALA A 63 -4.102 -3.028 1.324 1.00 0.00 O ATOM 967 CB ALA A 63 -6.542 -4.485 2.918 1.00 0.00 C ATOM 0 H ALA A 63 -3.569 -4.656 2.940 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.769 -5.758 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.393 -4.149 2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.844 -5.324 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.194 -3.667 3.549 1.00 0.00 H new ATOM 973 N LYS A 64 -5.754 -3.672 -0.060 1.00 0.00 N ATOM 974 CA LYS A 64 -5.488 -2.627 -1.042 1.00 0.00 C ATOM 975 C LYS A 64 -6.761 -1.854 -1.372 1.00 0.00 C ATOM 976 O LYS A 64 -7.828 -2.442 -1.542 1.00 0.00 O ATOM 977 CB LYS A 64 -4.902 -3.235 -2.318 1.00 0.00 C ATOM 978 CG LYS A 64 -5.869 -4.143 -3.059 1.00 0.00 C ATOM 979 CD LYS A 64 -5.312 -4.570 -4.406 1.00 0.00 C ATOM 980 CE LYS A 64 -6.367 -5.271 -5.249 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.793 -5.828 -6.505 1.00 0.00 N ATOM 0 H LYS A 64 -6.528 -4.291 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.765 -1.934 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.590 -2.430 -2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.007 -3.803 -2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.077 -5.026 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.817 -3.625 -3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.940 -3.696 -4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.463 -5.237 -4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.820 -6.075 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.163 -4.567 -5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.543 -6.297 -7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.383 -5.058 -7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.051 -6.519 -6.271 1.00 0.00 H new ATOM 995 N MET A 65 -6.639 -0.534 -1.462 1.00 0.00 N ATOM 996 CA MET A 65 -7.780 0.319 -1.774 1.00 0.00 C ATOM 997 C MET A 65 -7.406 1.368 -2.816 1.00 0.00 C ATOM 998 O MET A 65 -6.288 1.884 -2.818 1.00 0.00 O ATOM 999 CB MET A 65 -8.295 1.004 -0.506 1.00 0.00 C ATOM 1000 CG MET A 65 -9.669 1.633 -0.670 1.00 0.00 C ATOM 1001 SD MET A 65 -10.399 2.126 0.903 1.00 0.00 S ATOM 1002 CE MET A 65 -10.763 3.850 0.582 1.00 0.00 C ATOM 0 H MET A 65 -5.762 -0.032 -1.323 1.00 0.00 H new ATOM 0 HA MET A 65 -8.570 -0.310 -2.185 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.333 0.273 0.302 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.585 1.775 -0.205 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.590 2.505 -1.319 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.332 0.925 -1.168 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.756 4.404 1.521 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.009 4.262 -0.088 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.746 3.934 0.118 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.347 1.677 -3.702 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.115 2.665 -4.749 1.00 0.00 C ATOM 1014 C ASP A 66 -8.566 4.051 -4.298 1.00 0.00 C ATOM 1015 O ASP A 66 -9.755 4.368 -4.324 1.00 0.00 O ATOM 1016 CB ASP A 66 -8.854 2.267 -6.028 1.00 0.00 C ATOM 1017 CG ASP A 66 -8.691 3.291 -7.134 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -8.031 4.323 -6.893 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -9.224 3.060 -8.240 1.00 0.00 O ATOM 0 H ASP A 66 -9.277 1.258 -3.716 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.045 2.698 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.483 1.302 -6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.914 2.141 -5.807 1.00 0.00 H new ATOM 1024 N SER A 67 -7.607 4.873 -3.883 1.00 0.00 N ATOM 1025 CA SER A 67 -7.905 6.224 -3.421 1.00 0.00 C ATOM 1026 C SER A 67 -8.501 7.064 -4.546 1.00 0.00 C ATOM 1027 O SER A 67 -9.200 8.048 -4.300 1.00 0.00 O ATOM 1028 CB SER A 67 -6.638 6.894 -2.885 1.00 0.00 C ATOM 1029 OG SER A 67 -6.950 7.850 -1.887 1.00 0.00 O ATOM 0 H SER A 67 -6.617 4.627 -3.857 1.00 0.00 H new ATOM 0 HA SER A 67 -8.638 6.153 -2.617 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.970 6.138 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.105 7.378 -3.703 1.00 0.00 H new ATOM 0 HG SER A 67 -6.512 7.600 -1.047 1.00 0.00 H new ATOM 1035 N THR A 68 -8.220 6.668 -5.784 1.00 0.00 N ATOM 1036 CA THR A 68 -8.726 7.384 -6.948 1.00 0.00 C ATOM 1037 C THR A 68 -10.153 6.959 -7.278 1.00 0.00 C ATOM 1038 O THR A 68 -10.856 7.638 -8.025 1.00 0.00 O ATOM 1039 CB THR A 68 -7.835 7.150 -8.183 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.184 5.911 -8.811 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.365 7.130 -7.793 1.00 0.00 C ATOM 0 H THR A 68 -7.645 5.855 -6.006 1.00 0.00 H new ATOM 0 HA THR A 68 -8.714 8.444 -6.696 1.00 0.00 H new ATOM 0 HB THR A 68 -7.998 7.970 -8.882 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.082 5.178 -8.168 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.755 6.963 -8.681 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.095 8.085 -7.342 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.190 6.327 -7.077 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.574 5.831 -6.715 1.00 0.00 N ATOM 1050 CA ALA A 69 -11.918 5.317 -6.947 1.00 0.00 C ATOM 1051 C ALA A 69 -12.758 5.383 -5.676 1.00 0.00 C ATOM 1052 O ALA A 69 -13.986 5.322 -5.728 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.855 3.888 -7.466 1.00 0.00 C ATOM 0 H ALA A 69 -10.004 5.256 -6.095 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.395 5.945 -7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.866 3.517 -7.635 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.299 3.866 -8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.355 3.256 -6.732 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.088 5.507 -4.535 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.774 5.580 -3.250 1.00 0.00 C ATOM 1061 C ASN A 70 -12.157 6.659 -2.365 1.00 0.00 C ATOM 1062 O ASN A 70 -10.946 6.676 -2.143 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.715 4.226 -2.540 1.00 0.00 C ATOM 1064 CG ASN A 70 -13.289 3.105 -3.384 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -14.506 2.931 -3.460 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -12.414 2.338 -4.023 1.00 0.00 N ATOM 0 H ASN A 70 -11.071 5.559 -4.474 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.816 5.840 -3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.680 3.995 -2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.264 4.287 -1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.741 1.568 -4.606 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.414 2.519 -3.931 1.00 0.00 H new ATOM 1073 N GLU A 71 -12.998 7.557 -1.861 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.535 8.638 -1.000 1.00 0.00 C ATOM 1075 C GLU A 71 -13.156 8.532 0.389 1.00 0.00 C ATOM 1076 O GLU A 71 -14.377 8.454 0.531 1.00 0.00 O ATOM 1077 CB GLU A 71 -12.874 9.995 -1.621 1.00 0.00 C ATOM 1078 CG GLU A 71 -11.800 10.523 -2.557 1.00 0.00 C ATOM 1079 CD GLU A 71 -12.342 11.514 -3.568 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -12.407 12.718 -3.243 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -12.702 11.086 -4.684 1.00 0.00 O ATOM 0 H GLU A 71 -14.003 7.557 -2.034 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.453 8.552 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.812 9.910 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.036 10.720 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.015 11.001 -1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.340 9.687 -3.084 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.308 8.530 1.412 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.773 8.434 2.791 1.00 0.00 C ATOM 1090 C VAL A 72 -12.136 9.511 3.662 1.00 0.00 C ATOM 1091 O VAL A 72 -10.954 9.820 3.518 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.460 7.051 3.393 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.376 5.991 2.801 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -11.000 6.691 3.170 1.00 0.00 C ATOM 0 H VAL A 72 -11.295 8.594 1.312 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.853 8.578 2.772 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.640 7.093 4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.140 5.021 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.414 6.244 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.232 5.947 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.797 5.711 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.790 6.667 2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.364 7.437 3.648 1.00 0.00 H new ATOM 1104 N GLU A 73 -12.928 10.079 4.566 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.441 11.122 5.460 1.00 0.00 C ATOM 1106 C GLU A 73 -11.507 10.540 6.517 1.00 0.00 C ATOM 1107 O GLU A 73 -10.626 11.230 7.030 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.615 11.833 6.137 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.407 10.941 7.077 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.278 11.730 8.036 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -16.020 12.618 7.569 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -15.216 11.458 9.253 1.00 0.00 O ATOM 0 H GLU A 73 -13.909 9.834 4.698 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.883 11.844 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.237 12.690 6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.284 12.223 5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.034 10.269 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.718 10.318 7.647 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.706 9.266 6.838 1.00 0.00 N ATOM 1120 CA ALA A 74 -10.882 8.591 7.832 1.00 0.00 C ATOM 1121 C ALA A 74 -9.418 8.568 7.407 1.00 0.00 C ATOM 1122 O ALA A 74 -8.541 8.189 8.184 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.388 7.175 8.064 1.00 0.00 C ATOM 0 H ALA A 74 -12.431 8.681 6.424 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.954 9.148 8.766 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.763 6.683 8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.418 7.210 8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.347 6.616 7.129 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.159 8.975 6.168 1.00 0.00 N ATOM 1130 CA VAL A 75 -7.801 9.001 5.639 1.00 0.00 C ATOM 1131 C VAL A 75 -7.697 9.932 4.436 1.00 0.00 C ATOM 1132 O VAL A 75 -8.428 9.781 3.456 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.331 7.593 5.228 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.124 7.681 4.306 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.012 6.758 6.459 1.00 0.00 C ATOM 0 H VAL A 75 -9.873 9.291 5.512 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.158 9.371 6.437 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.139 7.103 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.806 6.677 4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.391 8.240 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.309 8.189 4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.682 5.766 6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.221 7.242 7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.905 6.667 7.078 1.00 0.00 H new ATOM 1145 N LYS A 76 -6.785 10.894 4.516 1.00 0.00 N ATOM 1146 CA LYS A 76 -6.583 11.849 3.433 1.00 0.00 C ATOM 1147 C LYS A 76 -5.297 11.544 2.671 1.00 0.00 C ATOM 1148 O LYS A 76 -4.196 11.758 3.180 1.00 0.00 O ATOM 1149 CB LYS A 76 -6.535 13.275 3.985 1.00 0.00 C ATOM 1150 CG LYS A 76 -7.885 13.794 4.448 1.00 0.00 C ATOM 1151 CD LYS A 76 -8.772 14.166 3.272 1.00 0.00 C ATOM 1152 CE LYS A 76 -10.148 14.621 3.734 1.00 0.00 C ATOM 1153 NZ LYS A 76 -11.109 14.719 2.601 1.00 0.00 N ATOM 0 H LYS A 76 -6.173 11.033 5.320 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.423 11.761 2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.836 13.309 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.144 13.940 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.380 13.034 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.741 14.666 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.299 14.961 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.875 13.308 2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.532 13.921 4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.064 15.591 4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.035 15.032 2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.756 15.406 1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.209 13.788 2.149 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.443 11.045 1.448 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.293 10.713 0.615 1.00 0.00 C ATOM 1169 C VAL A 77 -4.093 11.750 -0.485 1.00 0.00 C ATOM 1170 O VAL A 77 -4.901 11.853 -1.409 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.448 9.322 -0.028 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.147 8.891 -0.689 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -4.891 8.302 1.011 1.00 0.00 C ATOM 0 H VAL A 77 -6.347 10.862 1.012 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.420 10.708 1.268 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.217 9.380 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.276 7.906 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.876 9.610 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.356 8.848 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.996 7.325 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.146 8.244 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.849 8.606 1.434 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.013 12.516 -0.379 1.00 0.00 N ATOM 1184 CA HIS A 78 -2.706 13.546 -1.366 1.00 0.00 C ATOM 1185 C HIS A 78 -1.499 13.147 -2.210 1.00 0.00 C ATOM 1186 O HIS A 78 -0.814 14.000 -2.773 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.439 14.883 -0.674 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.522 15.292 0.277 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -3.299 16.111 1.364 1.00 0.00 N ATOM 1190 CD2 HIS A 78 -4.841 14.992 0.298 1.00 0.00 C ATOM 1191 CE1 HIS A 78 -4.435 16.295 2.013 1.00 0.00 C ATOM 1192 NE2 HIS A 78 -5.386 15.627 1.386 1.00 0.00 N ATOM 0 H HIS A 78 -2.335 12.444 0.380 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.569 13.652 -2.024 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.495 14.820 -0.132 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.320 15.658 -1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.367 14.369 -0.410 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.564 16.891 2.905 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.366 15.589 1.665 1.00 0.00 H new ATOM 1201 N SER A 79 -1.246 11.844 -2.293 1.00 0.00 N ATOM 1202 CA SER A 79 -0.119 11.333 -3.064 1.00 0.00 C ATOM 1203 C SER A 79 -0.205 9.816 -3.210 1.00 0.00 C ATOM 1204 O SER A 79 -1.004 9.161 -2.542 1.00 0.00 O ATOM 1205 CB SER A 79 1.202 11.719 -2.396 1.00 0.00 C ATOM 1206 OG SER A 79 1.647 12.987 -2.842 1.00 0.00 O ATOM 0 H SER A 79 -1.806 11.124 -1.836 1.00 0.00 H new ATOM 0 HA SER A 79 -0.158 11.780 -4.058 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.075 11.735 -1.314 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.959 10.966 -2.617 1.00 0.00 H new ATOM 0 HG SER A 79 0.918 13.637 -2.759 1.00 0.00 H new ATOM 1212 N PHE A 80 0.626 9.265 -4.089 1.00 0.00 N ATOM 1213 CA PHE A 80 0.645 7.826 -4.324 1.00 0.00 C ATOM 1214 C PHE A 80 1.946 7.402 -4.999 1.00 0.00 C ATOM 1215 O PHE A 80 2.572 8.167 -5.733 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.549 7.413 -5.188 1.00 0.00 C ATOM 1217 CG PHE A 80 -1.832 8.093 -4.802 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -2.610 7.598 -3.768 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.259 9.227 -5.474 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -3.790 8.221 -3.411 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.439 9.855 -5.120 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.206 9.351 -4.088 1.00 0.00 C ATOM 0 H PHE A 80 1.295 9.793 -4.650 1.00 0.00 H new ATOM 0 HA PHE A 80 0.577 7.325 -3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.327 7.638 -6.231 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.683 6.334 -5.116 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.290 6.715 -3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.664 9.625 -6.283 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.387 7.825 -2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.761 10.739 -5.650 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.129 9.839 -3.811 1.00 0.00 H new ATOM 1232 N PRO A 81 2.364 6.153 -4.745 1.00 0.00 N ATOM 1233 CA PRO A 81 1.627 5.234 -3.873 1.00 0.00 C ATOM 1234 C PRO A 81 1.683 5.655 -2.409 1.00 0.00 C ATOM 1235 O PRO A 81 2.687 6.196 -1.944 1.00 0.00 O ATOM 1236 CB PRO A 81 2.350 3.899 -4.074 1.00 0.00 C ATOM 1237 CG PRO A 81 3.729 4.275 -4.494 1.00 0.00 C ATOM 1238 CD PRO A 81 3.588 5.543 -5.290 1.00 0.00 C ATOM 0 HA PRO A 81 0.566 5.201 -4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.362 3.313 -3.155 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.857 3.292 -4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.373 4.428 -3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.183 3.486 -5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.452 6.195 -5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.495 5.340 -6.357 1.00 0.00 H new ATOM 1246 N THR A 82 0.597 5.403 -1.684 1.00 0.00 N ATOM 1247 CA THR A 82 0.522 5.756 -0.272 1.00 0.00 C ATOM 1248 C THR A 82 0.126 4.552 0.576 1.00 0.00 C ATOM 1249 O THR A 82 -0.896 3.912 0.325 1.00 0.00 O ATOM 1250 CB THR A 82 -0.488 6.894 -0.030 1.00 0.00 C ATOM 1251 OG1 THR A 82 0.027 8.124 -0.551 1.00 0.00 O ATOM 1252 CG2 THR A 82 -0.783 7.049 1.454 1.00 0.00 C ATOM 0 H THR A 82 -0.243 4.956 -2.052 1.00 0.00 H new ATOM 0 HA THR A 82 1.516 6.093 0.022 1.00 0.00 H new ATOM 0 HB THR A 82 -1.416 6.643 -0.544 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.533 8.423 -1.297 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.498 7.858 1.600 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.202 6.120 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.140 7.280 1.986 1.00 0.00 H new ATOM 1260 N LEU A 83 0.940 4.249 1.581 1.00 0.00 N ATOM 1261 CA LEU A 83 0.675 3.121 2.467 1.00 0.00 C ATOM 1262 C LEU A 83 0.345 3.603 3.877 1.00 0.00 C ATOM 1263 O LEU A 83 0.910 4.586 4.357 1.00 0.00 O ATOM 1264 CB LEU A 83 1.881 2.182 2.506 1.00 0.00 C ATOM 1265 CG LEU A 83 2.519 1.853 1.155 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.773 1.014 1.347 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.525 1.132 0.257 1.00 0.00 C ATOM 0 H LEU A 83 1.789 4.769 1.803 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.186 2.579 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.643 2.627 3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.574 1.248 2.978 1.00 0.00 H new ATOM 0 HG LEU A 83 2.803 2.788 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.213 0.790 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.492 1.567 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.514 0.083 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.996 0.906 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.210 0.204 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.656 1.769 0.092 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.570 2.901 4.537 1.00 0.00 N ATOM 1280 CA LYS A 84 -0.973 3.254 5.893 1.00 0.00 C ATOM 1281 C LYS A 84 -1.240 2.002 6.724 1.00 0.00 C ATOM 1282 O LYS A 84 -2.060 1.163 6.354 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.224 4.135 5.863 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.044 5.419 5.072 1.00 0.00 C ATOM 1285 CD LYS A 84 -2.921 6.535 5.614 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.906 7.750 4.699 1.00 0.00 C ATOM 1287 NZ LYS A 84 -3.107 9.017 5.456 1.00 0.00 N ATOM 0 H LYS A 84 -1.046 2.084 4.155 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.157 3.809 6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.049 3.566 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.507 4.385 6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.999 5.726 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.288 5.240 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.944 6.174 5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.575 6.822 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.956 7.792 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.689 7.648 3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.742 9.644 4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.529 8.805 6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.190 9.488 5.593 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.543 1.885 7.849 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.705 0.736 8.733 1.00 0.00 C ATOM 1303 C PHE A 85 -1.744 1.023 9.813 1.00 0.00 C ATOM 1304 O PHE A 85 -1.657 2.024 10.524 1.00 0.00 O ATOM 1305 CB PHE A 85 0.632 0.371 9.381 1.00 0.00 C ATOM 1306 CG PHE A 85 0.516 -0.688 10.439 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.289 -0.343 11.761 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.636 -2.029 10.111 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.181 -1.315 12.738 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.528 -3.006 11.083 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.302 -2.649 12.398 1.00 0.00 C ATOM 0 H PHE A 85 0.139 2.571 8.170 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.052 -0.105 8.133 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.319 0.027 8.608 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.070 1.267 9.821 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.195 0.698 12.032 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.816 -2.314 9.085 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.002 -1.032 13.765 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.620 -4.048 10.814 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.220 -3.411 13.159 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.728 0.138 9.928 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.786 0.295 10.919 1.00 0.00 C ATOM 1323 C PHE A 86 -3.560 -0.634 12.108 1.00 0.00 C ATOM 1324 O PHE A 86 -3.755 -1.847 12.026 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.152 0.013 10.289 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.460 0.890 9.109 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.678 1.999 8.830 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.533 0.605 8.280 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.959 2.808 7.745 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.819 1.411 7.194 1.00 0.00 C ATOM 1331 CZ PHE A 86 -6.032 2.514 6.927 1.00 0.00 C ATOM 0 H PHE A 86 -2.815 -0.696 9.347 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.765 1.325 11.276 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.191 -1.030 9.976 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.926 0.148 11.044 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.839 2.234 9.468 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.152 -0.256 8.484 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.340 3.669 7.537 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.658 1.178 6.555 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.255 3.146 6.080 1.00 0.00 H new ATOM 1341 N PRO A 87 -3.139 -0.052 13.241 1.00 0.00 N ATOM 1342 CA PRO A 87 -2.877 -0.809 14.469 1.00 0.00 C ATOM 1343 C PRO A 87 -4.156 -1.344 15.104 1.00 0.00 C ATOM 1344 O PRO A 87 -5.228 -0.760 14.951 1.00 0.00 O ATOM 1345 CB PRO A 87 -2.216 0.223 15.387 1.00 0.00 C ATOM 1346 CG PRO A 87 -2.712 1.539 14.897 1.00 0.00 C ATOM 1347 CD PRO A 87 -2.887 1.389 13.411 1.00 0.00 C ATOM 0 HA PRO A 87 -2.263 -1.690 14.282 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.491 0.059 16.429 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.129 0.164 15.331 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.655 1.804 15.376 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.003 2.334 15.128 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.719 1.989 13.042 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.998 1.708 12.867 1.00 0.00 H new ATOM 1355 N ALA A 88 -4.035 -2.459 15.818 1.00 0.00 N ATOM 1356 CA ALA A 88 -5.181 -3.071 16.478 1.00 0.00 C ATOM 1357 C ALA A 88 -5.759 -2.147 17.545 1.00 0.00 C ATOM 1358 O ALA A 88 -5.570 -2.369 18.741 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.785 -4.406 17.092 1.00 0.00 C ATOM 0 H ALA A 88 -3.155 -2.956 15.954 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.952 -3.243 15.727 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.650 -4.852 17.582 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.426 -5.074 16.309 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.994 -4.249 17.825 1.00 0.00 H new ATOM 1422 N THR A 93 -7.213 4.896 14.404 1.00 0.00 N ATOM 1423 CA THR A 93 -5.805 5.272 14.398 1.00 0.00 C ATOM 1424 C THR A 93 -5.113 4.791 13.128 1.00 0.00 C ATOM 1425 O THR A 93 -5.396 3.702 12.629 1.00 0.00 O ATOM 1426 CB THR A 93 -5.065 4.698 15.621 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.724 5.103 16.826 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.618 5.166 15.646 1.00 0.00 C ATOM 0 HA THR A 93 -5.769 6.361 14.438 1.00 0.00 H new ATOM 0 HB THR A 93 -5.077 3.610 15.549 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.672 5.269 16.641 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.115 4.748 16.518 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.112 4.831 14.741 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.588 6.254 15.697 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.204 5.610 12.608 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.469 5.267 11.397 1.00 0.00 C ATOM 1438 C VAL A 94 -1.988 5.601 11.538 1.00 0.00 C ATOM 1439 O VAL A 94 -1.624 6.598 12.163 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.036 6.005 10.169 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.098 5.861 8.980 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.424 5.485 9.830 1.00 0.00 C ATOM 0 H VAL A 94 -3.959 6.516 13.007 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.583 4.193 11.252 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.119 7.065 10.409 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.515 6.388 8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.126 6.286 9.230 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.981 4.805 8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.810 6.017 8.960 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.369 4.419 9.608 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.090 5.645 10.678 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.140 4.762 10.954 1.00 0.00 N ATOM 1453 CA ILE A 95 0.302 4.970 11.014 1.00 0.00 C ATOM 1454 C ILE A 95 0.895 5.114 9.616 1.00 0.00 C ATOM 1455 O ILE A 95 0.488 4.421 8.684 1.00 0.00 O ATOM 1456 CB ILE A 95 1.008 3.811 11.742 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.538 3.731 13.195 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.518 3.986 11.676 1.00 0.00 C ATOM 1459 CD1 ILE A 95 0.969 2.465 13.901 1.00 0.00 C ATOM 0 H ILE A 95 -1.426 3.932 10.434 1.00 0.00 H new ATOM 0 HA ILE A 95 0.465 5.892 11.572 1.00 0.00 H new ATOM 0 HB ILE A 95 0.748 2.877 11.245 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.925 4.591 13.741 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.550 3.799 13.221 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.003 3.159 12.195 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.838 3.998 10.634 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.796 4.926 12.152 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.600 2.477 14.927 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.560 1.600 13.379 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.057 2.404 13.907 1.00 0.00 H new ATOM 1471 N ASP A 96 1.859 6.017 9.479 1.00 0.00 N ATOM 1472 CA ASP A 96 2.511 6.251 8.196 1.00 0.00 C ATOM 1473 C ASP A 96 3.672 5.283 7.992 1.00 0.00 C ATOM 1474 O ASP A 96 4.536 5.143 8.858 1.00 0.00 O ATOM 1475 CB ASP A 96 3.013 7.694 8.110 1.00 0.00 C ATOM 1476 CG ASP A 96 3.819 8.100 9.328 1.00 0.00 C ATOM 1477 OD1 ASP A 96 4.252 7.201 10.079 1.00 0.00 O ATOM 1478 OD2 ASP A 96 4.016 9.316 9.530 1.00 0.00 O ATOM 0 H ASP A 96 2.207 6.599 10.241 1.00 0.00 H new ATOM 0 HA ASP A 96 1.777 6.082 7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.627 7.809 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.162 8.366 8.001 1.00 0.00 H new ATOM 1483 N TYR A 97 3.685 4.616 6.843 1.00 0.00 N ATOM 1484 CA TYR A 97 4.737 3.658 6.527 1.00 0.00 C ATOM 1485 C TYR A 97 5.956 4.362 5.938 1.00 0.00 C ATOM 1486 O TYR A 97 5.926 4.831 4.801 1.00 0.00 O ATOM 1487 CB TYR A 97 4.219 2.605 5.546 1.00 0.00 C ATOM 1488 CG TYR A 97 5.290 1.657 5.055 1.00 0.00 C ATOM 1489 CD1 TYR A 97 5.588 0.493 5.752 1.00 0.00 C ATOM 1490 CD2 TYR A 97 6.002 1.925 3.892 1.00 0.00 C ATOM 1491 CE1 TYR A 97 6.566 -0.376 5.307 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.980 1.061 3.439 1.00 0.00 C ATOM 1493 CZ TYR A 97 7.259 -0.088 4.150 1.00 0.00 C ATOM 1494 OH TYR A 97 8.232 -0.951 3.702 1.00 0.00 O ATOM 0 H TYR A 97 2.978 4.722 6.115 1.00 0.00 H new ATOM 0 HA TYR A 97 5.036 3.167 7.453 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.429 2.029 6.028 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.770 3.108 4.689 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.046 0.263 6.657 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.787 2.824 3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.786 -1.276 5.862 1.00 0.00 H new ATOM 0 HE2 TYR A 97 7.524 1.284 2.533 1.00 0.00 H new ATOM 0 HH TYR A 97 7.813 -1.700 3.229 1.00 0.00 H new ATOM 1504 N ASN A 98 7.028 4.431 6.721 1.00 0.00 N ATOM 1505 CA ASN A 98 8.258 5.077 6.278 1.00 0.00 C ATOM 1506 C ASN A 98 9.379 4.056 6.112 1.00 0.00 C ATOM 1507 O ASN A 98 10.483 4.242 6.622 1.00 0.00 O ATOM 1508 CB ASN A 98 8.680 6.156 7.277 1.00 0.00 C ATOM 1509 CG ASN A 98 7.897 7.443 7.103 1.00 0.00 C ATOM 1510 OD1 ASN A 98 7.964 8.086 6.055 1.00 0.00 O ATOM 1511 ND2 ASN A 98 7.150 7.825 8.132 1.00 0.00 N ATOM 0 H ASN A 98 7.070 4.047 7.665 1.00 0.00 H new ATOM 0 HA ASN A 98 8.067 5.541 5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.540 5.783 8.291 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.744 6.362 7.157 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.601 8.683 8.073 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.125 7.261 8.981 1.00 0.00 H new ATOM 1518 N GLY A 99 9.087 2.976 5.393 1.00 0.00 N ATOM 1519 CA GLY A 99 10.081 1.942 5.171 1.00 0.00 C ATOM 1520 C GLY A 99 10.774 2.081 3.830 1.00 0.00 C ATOM 1521 O GLY A 99 11.055 3.193 3.383 1.00 0.00 O ATOM 0 H GLY A 99 8.180 2.799 4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 99 10.825 1.981 5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.603 0.964 5.230 1.00 0.00 H new ATOM 1525 N GLU A 100 11.051 0.951 3.189 1.00 0.00 N ATOM 1526 CA GLU A 100 11.718 0.953 1.892 1.00 0.00 C ATOM 1527 C GLU A 100 10.721 0.694 0.767 1.00 0.00 C ATOM 1528 O GLU A 100 11.073 0.741 -0.412 1.00 0.00 O ATOM 1529 CB GLU A 100 12.825 -0.104 1.861 1.00 0.00 C ATOM 1530 CG GLU A 100 12.466 -1.382 2.600 1.00 0.00 C ATOM 1531 CD GLU A 100 12.881 -1.350 4.058 1.00 0.00 C ATOM 1532 OE1 GLU A 100 12.801 -0.268 4.674 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.287 -2.409 4.582 1.00 0.00 O ATOM 0 H GLU A 100 10.824 0.023 3.546 1.00 0.00 H new ATOM 0 HA GLU A 100 12.161 1.937 1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.055 -0.346 0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.730 0.317 2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.390 -1.544 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.946 -2.228 2.108 1.00 0.00 H new ATOM 1540 N ARG A 101 9.475 0.421 1.139 1.00 0.00 N ATOM 1541 CA ARG A 101 8.427 0.153 0.162 1.00 0.00 C ATOM 1542 C ARG A 101 8.781 -1.057 -0.697 1.00 0.00 C ATOM 1543 O ARG A 101 8.577 -1.052 -1.912 1.00 0.00 O ATOM 1544 CB ARG A 101 8.205 1.377 -0.728 1.00 0.00 C ATOM 1545 CG ARG A 101 6.963 1.279 -1.599 1.00 0.00 C ATOM 1546 CD ARG A 101 6.630 2.614 -2.247 1.00 0.00 C ATOM 1547 NE ARG A 101 7.729 3.112 -3.070 1.00 0.00 N ATOM 1548 CZ ARG A 101 7.803 4.359 -3.520 1.00 0.00 C ATOM 1549 NH1 ARG A 101 6.848 5.231 -3.227 1.00 0.00 N ATOM 1550 NH2 ARG A 101 8.834 4.737 -4.264 1.00 0.00 N ATOM 0 H ARG A 101 9.167 0.380 2.110 1.00 0.00 H new ATOM 0 HA ARG A 101 7.507 -0.065 0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.128 2.264 -0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.077 1.514 -1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.118 0.527 -2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 101 6.119 0.946 -0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 101 5.737 2.506 -2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 101 6.397 3.345 -1.473 1.00 0.00 H new ATOM 0 HE ARG A 101 8.481 2.467 -3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 101 6.054 4.944 -2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 101 6.908 6.188 -3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 101 9.571 4.069 -4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 101 8.890 5.695 -4.609 1.00 0.00 H new ATOM 1564 N THR A 102 9.315 -2.094 -0.059 1.00 0.00 N ATOM 1565 CA THR A 102 9.700 -3.310 -0.765 1.00 0.00 C ATOM 1566 C THR A 102 9.057 -4.539 -0.133 1.00 0.00 C ATOM 1567 O THR A 102 8.887 -4.607 1.085 1.00 0.00 O ATOM 1568 CB THR A 102 11.229 -3.493 -0.776 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.724 -3.567 0.566 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.906 -2.345 -1.509 1.00 0.00 C ATOM 0 H THR A 102 9.491 -2.116 0.946 1.00 0.00 H new ATOM 0 HA THR A 102 9.347 -3.205 -1.791 1.00 0.00 H new ATOM 0 HB THR A 102 11.458 -4.422 -1.298 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.697 -3.685 0.550 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.985 -2.496 -1.504 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.549 -2.310 -2.538 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.669 -1.405 -1.011 1.00 0.00 H new ATOM 1578 N LEU A 103 8.702 -5.510 -0.967 1.00 0.00 N ATOM 1579 CA LEU A 103 8.077 -6.739 -0.490 1.00 0.00 C ATOM 1580 C LEU A 103 8.694 -7.185 0.832 1.00 0.00 C ATOM 1581 O LEU A 103 7.986 -7.414 1.813 1.00 0.00 O ATOM 1582 CB LEU A 103 8.224 -7.848 -1.534 1.00 0.00 C ATOM 1583 CG LEU A 103 7.661 -9.215 -1.144 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.157 -9.135 -0.937 1.00 0.00 C ATOM 1585 CD2 LEU A 103 8.001 -10.253 -2.203 1.00 0.00 C ATOM 0 H LEU A 103 8.836 -5.470 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 103 7.018 -6.540 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.733 -7.523 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.283 -7.965 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 103 8.120 -9.520 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.775 -10.118 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.937 -8.423 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.680 -8.807 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.593 -11.220 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.571 -9.953 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.084 -10.331 -2.301 1.00 0.00 H new ATOM 1597 N ASP A 104 10.017 -7.304 0.851 1.00 0.00 N ATOM 1598 CA ASP A 104 10.730 -7.719 2.054 1.00 0.00 C ATOM 1599 C ASP A 104 10.673 -6.632 3.122 1.00 0.00 C ATOM 1600 O ASP A 104 10.585 -6.923 4.314 1.00 0.00 O ATOM 1601 CB ASP A 104 12.186 -8.049 1.721 1.00 0.00 C ATOM 1602 CG ASP A 104 12.764 -9.109 2.637 1.00 0.00 C ATOM 1603 OD1 ASP A 104 12.564 -10.310 2.356 1.00 0.00 O ATOM 1604 OD2 ASP A 104 13.418 -8.739 3.635 1.00 0.00 O ATOM 0 H ASP A 104 10.617 -7.119 0.047 1.00 0.00 H new ATOM 0 HA ASP A 104 10.243 -8.613 2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.251 -8.391 0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.787 -7.143 1.795 1.00 0.00 H new ATOM 1609 N GLY A 105 10.724 -5.377 2.686 1.00 0.00 N ATOM 1610 CA GLY A 105 10.679 -4.265 3.617 1.00 0.00 C ATOM 1611 C GLY A 105 9.391 -4.231 4.416 1.00 0.00 C ATOM 1612 O GLY A 105 9.402 -3.943 5.613 1.00 0.00 O ATOM 0 H GLY A 105 10.796 -5.111 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.525 -4.333 4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.787 -3.330 3.067 1.00 0.00 H new ATOM 1616 N PHE A 106 8.277 -4.524 3.753 1.00 0.00 N ATOM 1617 CA PHE A 106 6.975 -4.523 4.409 1.00 0.00 C ATOM 1618 C PHE A 106 6.952 -5.508 5.575 1.00 0.00 C ATOM 1619 O PHE A 106 6.499 -5.179 6.671 1.00 0.00 O ATOM 1620 CB PHE A 106 5.875 -4.877 3.406 1.00 0.00 C ATOM 1621 CG PHE A 106 5.708 -3.858 2.315 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.707 -2.504 2.608 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.552 -4.255 0.997 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.553 -1.565 1.606 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.398 -3.320 -0.010 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.399 -1.973 0.295 1.00 0.00 C ATOM 0 H PHE A 106 8.250 -4.765 2.762 1.00 0.00 H new ATOM 0 HA PHE A 106 6.793 -3.521 4.799 1.00 0.00 H new ATOM 0 HB2 PHE A 106 6.101 -5.844 2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.930 -4.986 3.938 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.828 -2.179 3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.551 -5.307 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.553 -0.512 1.848 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.277 -3.643 -1.034 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.280 -1.240 -0.489 1.00 0.00 H new ATOM 1636 N LYS A 107 7.443 -6.718 5.329 1.00 0.00 N ATOM 1637 CA LYS A 107 7.480 -7.752 6.356 1.00 0.00 C ATOM 1638 C LYS A 107 8.179 -7.244 7.614 1.00 0.00 C ATOM 1639 O LYS A 107 7.779 -7.568 8.732 1.00 0.00 O ATOM 1640 CB LYS A 107 8.197 -8.997 5.829 1.00 0.00 C ATOM 1641 CG LYS A 107 7.881 -9.312 4.377 1.00 0.00 C ATOM 1642 CD LYS A 107 7.980 -10.802 4.095 1.00 0.00 C ATOM 1643 CE LYS A 107 8.203 -11.075 2.616 1.00 0.00 C ATOM 1644 NZ LYS A 107 9.651 -11.127 2.273 1.00 0.00 N ATOM 0 H LYS A 107 7.821 -7.007 4.427 1.00 0.00 H new ATOM 0 HA LYS A 107 6.453 -8.012 6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.273 -8.859 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.922 -9.853 6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.877 -8.962 4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.570 -8.771 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.800 -11.229 4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.066 -11.297 4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.732 -12.020 2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.718 -10.297 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.819 -10.596 1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.206 -10.704 3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.941 -12.117 2.140 1.00 0.00 H new ATOM 1658 N LYS A 108 9.224 -6.446 7.423 1.00 0.00 N ATOM 1659 CA LYS A 108 9.977 -5.891 8.541 1.00 0.00 C ATOM 1660 C LYS A 108 9.103 -4.961 9.378 1.00 0.00 C ATOM 1661 O LYS A 108 9.077 -5.054 10.605 1.00 0.00 O ATOM 1662 CB LYS A 108 11.204 -5.132 8.030 1.00 0.00 C ATOM 1663 CG LYS A 108 12.022 -5.912 7.016 1.00 0.00 C ATOM 1664 CD LYS A 108 13.384 -5.276 6.790 1.00 0.00 C ATOM 1665 CE LYS A 108 14.046 -5.810 5.530 1.00 0.00 C ATOM 1666 NZ LYS A 108 15.398 -5.222 5.322 1.00 0.00 N ATOM 0 H LYS A 108 9.569 -6.169 6.504 1.00 0.00 H new ATOM 0 HA LYS A 108 10.305 -6.718 9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.879 -4.195 7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.840 -4.874 8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.151 -6.937 7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.481 -5.961 6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.273 -4.194 6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.025 -5.471 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.128 -6.895 5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.417 -5.589 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.816 -5.611 4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.318 -4.189 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.006 -5.455 6.133 1.00 0.00 H new ATOM 1680 N PHE A 109 8.388 -4.065 8.705 1.00 0.00 N ATOM 1681 CA PHE A 109 7.512 -3.119 9.387 1.00 0.00 C ATOM 1682 C PHE A 109 6.371 -3.845 10.093 1.00 0.00 C ATOM 1683 O PHE A 109 6.020 -3.518 11.228 1.00 0.00 O ATOM 1684 CB PHE A 109 6.947 -2.105 8.390 1.00 0.00 C ATOM 1685 CG PHE A 109 6.130 -1.022 9.034 1.00 0.00 C ATOM 1686 CD1 PHE A 109 4.779 -1.207 9.276 1.00 0.00 C ATOM 1687 CD2 PHE A 109 6.714 0.181 9.397 1.00 0.00 C ATOM 1688 CE1 PHE A 109 4.024 -0.212 9.869 1.00 0.00 C ATOM 1689 CE2 PHE A 109 5.964 1.179 9.990 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.617 0.983 10.226 1.00 0.00 C ATOM 0 H PHE A 109 8.398 -3.974 7.689 1.00 0.00 H new ATOM 0 HA PHE A 109 8.102 -2.592 10.137 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.771 -1.649 7.841 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.330 -2.630 7.661 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.310 -2.139 8.998 1.00 0.00 H new ATOM 0 HD2 PHE A 109 7.766 0.340 9.215 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.971 -0.369 10.053 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.431 2.112 10.269 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.029 1.762 10.688 1.00 0.00 H new ATOM 1700 N LEU A 110 5.796 -4.831 9.414 1.00 0.00 N ATOM 1701 CA LEU A 110 4.693 -5.605 9.975 1.00 0.00 C ATOM 1702 C LEU A 110 5.179 -6.501 11.109 1.00 0.00 C ATOM 1703 O LEU A 110 4.778 -6.334 12.260 1.00 0.00 O ATOM 1704 CB LEU A 110 4.034 -6.453 8.886 1.00 0.00 C ATOM 1705 CG LEU A 110 3.470 -5.687 7.688 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.185 -6.636 6.535 1.00 0.00 C ATOM 1707 CD2 LEU A 110 2.210 -4.931 8.083 1.00 0.00 C ATOM 0 H LEU A 110 6.075 -5.114 8.474 1.00 0.00 H new ATOM 0 HA LEU A 110 3.959 -4.907 10.377 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.767 -7.172 8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.225 -7.026 9.339 1.00 0.00 H new ATOM 0 HG LEU A 110 4.216 -4.963 7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.784 -6.074 5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.108 -7.132 6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.458 -7.384 6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.823 -4.392 7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.458 -5.636 8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.445 -4.222 8.877 1.00 0.00 H new ATOM 1719 N GLU A 111 6.047 -7.452 10.776 1.00 0.00 N ATOM 1720 CA GLU A 111 6.588 -8.373 11.767 1.00 0.00 C ATOM 1721 C GLU A 111 6.867 -7.654 13.084 1.00 0.00 C ATOM 1722 O GLU A 111 6.690 -8.219 14.163 1.00 0.00 O ATOM 1723 CB GLU A 111 7.871 -9.023 11.246 1.00 0.00 C ATOM 1724 CG GLU A 111 7.626 -10.136 10.241 1.00 0.00 C ATOM 1725 CD GLU A 111 8.713 -11.193 10.265 1.00 0.00 C ATOM 1726 OE1 GLU A 111 9.844 -10.871 10.684 1.00 0.00 O ATOM 1727 OE2 GLU A 111 8.432 -12.342 9.865 1.00 0.00 O ATOM 0 H GLU A 111 6.390 -7.604 9.827 1.00 0.00 H new ATOM 0 HA GLU A 111 5.844 -9.149 11.948 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.494 -8.258 10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.433 -9.424 12.089 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.664 -10.604 10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.561 -9.709 9.240 1.00 0.00 H new ATOM 1734 N SER A 112 7.306 -6.403 12.986 1.00 0.00 N ATOM 1735 CA SER A 112 7.615 -5.606 14.168 1.00 0.00 C ATOM 1736 C SER A 112 6.340 -5.232 14.919 1.00 0.00 C ATOM 1737 O SER A 112 6.295 -5.273 16.147 1.00 0.00 O ATOM 1738 CB SER A 112 8.377 -4.341 13.771 1.00 0.00 C ATOM 1739 OG SER A 112 9.677 -4.654 13.304 1.00 0.00 O ATOM 0 H SER A 112 7.456 -5.919 12.100 1.00 0.00 H new ATOM 0 HA SER A 112 8.242 -6.206 14.828 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.826 -3.810 12.995 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.447 -3.671 14.628 1.00 0.00 H new ATOM 0 HG SER A 112 9.645 -4.830 12.341 1.00 0.00 H new ATOM 1745 N GLY A 113 5.305 -4.867 14.169 1.00 0.00 N ATOM 1746 CA GLY A 113 4.043 -4.490 14.779 1.00 0.00 C ATOM 1747 C GLY A 113 3.739 -3.013 14.619 1.00 0.00 C ATOM 1748 O GLY A 113 3.161 -2.391 15.509 1.00 0.00 O ATOM 0 H GLY A 113 5.318 -4.826 13.150 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.238 -5.074 14.332 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.067 -4.740 15.840 1.00 0.00 H new ATOM 1752 N GLY A 114 4.132 -2.450 13.480 1.00 0.00 N ATOM 1753 CA GLY A 114 3.891 -1.041 13.228 1.00 0.00 C ATOM 1754 C GLY A 114 4.616 -0.144 14.211 1.00 0.00 C ATOM 1755 O GLY A 114 4.019 0.765 14.788 1.00 0.00 O ATOM 0 H GLY A 114 4.612 -2.944 12.728 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.210 -0.797 12.215 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.820 -0.843 13.282 1.00 0.00 H new