USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 863 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 59 SER OG : rot 180:sc= 0.259 USER MOD Set 1.2: A 103 THR OG1 : rot -64:sc= 0.277 USER MOD Set 2.1: A 9 GLN : amide:sc= 1.04 K(o=0.97,f=-2.9!) USER MOD Set 2.2: A 22 THR OG1 : rot 150:sc= -0.073 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.282 USER MOD Set 3.2: A 18 THR OG1 : rot -67:sc= 0.289 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0864 K(o=-0.086,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 15:sc= -0.0342 USER MOD Single : A 24 GLN : amide:sc= 0.584 K(o=0.58,f=-1.4) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0.869 (180deg=0.786) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0542) USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0.895 (180deg=0.866) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0202 K(o=-0.02,f=-1.3!) USER MOD Single : A 45 MET CE :methyl 174:sc= -0.53 (180deg=-0.601) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-5.8!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= 0.662 (180deg=0.586) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0.81 (180deg=0.786) USER MOD Single : A 82 ASN : amide:sc= -0.439 K(o=-0.44,f=-1.9!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0252 K(o=-0.025,f=-1.2) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.0147 K(o=-0.015,f=-1.3) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 65:sc= 0.908 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 14.135 8.643 1.759 1.00 0.00 N ATOM 61 CA LYS A 5 12.915 8.761 2.552 1.00 0.00 C ATOM 62 C LYS A 5 11.742 8.838 1.566 1.00 0.00 C ATOM 63 O LYS A 5 11.795 9.562 0.562 1.00 0.00 O ATOM 64 CB LYS A 5 12.954 9.989 3.463 1.00 0.00 C ATOM 65 CG LYS A 5 11.797 10.077 4.450 1.00 0.00 C ATOM 66 CD LYS A 5 12.011 11.200 5.455 1.00 0.00 C ATOM 67 CE LYS A 5 11.601 12.546 4.876 1.00 0.00 C ATOM 68 NZ LYS A 5 11.653 13.629 5.896 1.00 0.00 N ATOM 0 HA LYS A 5 12.807 7.899 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.891 9.984 4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.956 10.886 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.866 10.244 3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.693 9.129 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.433 10.999 6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.060 11.233 5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.259 12.799 4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.591 12.475 4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.367 14.529 5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.006 13.401 6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.623 13.715 6.262 1.00 0.00 H new ATOM 82 N VAL A 6 10.725 8.044 1.842 1.00 0.00 N ATOM 83 CA VAL A 6 9.420 8.120 1.184 1.00 0.00 C ATOM 84 C VAL A 6 8.348 7.971 2.268 1.00 0.00 C ATOM 85 O VAL A 6 8.534 7.229 3.242 1.00 0.00 O ATOM 86 CB VAL A 6 9.237 7.033 0.109 1.00 0.00 C ATOM 87 CG1 VAL A 6 9.490 5.653 0.698 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.841 7.107 -0.492 1.00 0.00 C ATOM 0 H VAL A 6 10.777 7.308 2.546 1.00 0.00 H new ATOM 0 HA VAL A 6 9.338 9.078 0.670 1.00 0.00 H new ATOM 0 HB VAL A 6 9.964 7.208 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.356 4.897 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.509 5.603 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.786 5.469 1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.730 6.332 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.099 6.957 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.693 8.085 -0.949 1.00 0.00 H new ATOM 98 N GLU A 7 7.230 8.689 2.098 1.00 0.00 N ATOM 99 CA GLU A 7 6.064 8.533 2.972 1.00 0.00 C ATOM 100 C GLU A 7 4.963 7.811 2.183 1.00 0.00 C ATOM 101 O GLU A 7 4.719 8.103 1.002 1.00 0.00 O ATOM 102 CB GLU A 7 5.570 9.888 3.485 1.00 0.00 C ATOM 103 CG GLU A 7 6.484 10.543 4.512 1.00 0.00 C ATOM 104 CD GLU A 7 5.855 11.781 5.090 1.00 0.00 C ATOM 105 OE1 GLU A 7 5.548 12.674 4.339 1.00 0.00 O ATOM 106 OE2 GLU A 7 5.581 11.789 6.267 1.00 0.00 O ATOM 0 H GLU A 7 7.110 9.384 1.361 1.00 0.00 H new ATOM 0 HA GLU A 7 6.340 7.945 3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.453 10.563 2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.582 9.757 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.702 9.836 5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.435 10.799 4.045 1.00 0.00 H new ATOM 113 N VAL A 8 4.339 6.838 2.859 1.00 0.00 N ATOM 114 CA VAL A 8 3.247 6.017 2.334 1.00 0.00 C ATOM 115 C VAL A 8 2.038 6.159 3.261 1.00 0.00 C ATOM 116 O VAL A 8 2.137 5.917 4.468 1.00 0.00 O ATOM 117 CB VAL A 8 3.705 4.511 2.225 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.562 3.583 1.752 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.931 4.389 1.292 1.00 0.00 C ATOM 0 H VAL A 8 4.590 6.595 3.817 1.00 0.00 H new ATOM 0 HA VAL A 8 2.972 6.353 1.334 1.00 0.00 H new ATOM 0 HB VAL A 8 3.986 4.183 3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.927 2.558 1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.735 3.634 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.217 3.903 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.236 3.345 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.670 4.754 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.753 4.982 1.692 1.00 0.00 H new ATOM 129 N GLN A 9 0.907 6.577 2.688 1.00 0.00 N ATOM 130 CA GLN A 9 -0.343 6.766 3.430 1.00 0.00 C ATOM 131 C GLN A 9 -1.299 5.637 3.025 1.00 0.00 C ATOM 132 O GLN A 9 -1.556 5.434 1.841 1.00 0.00 O ATOM 133 CB GLN A 9 -0.967 8.133 3.136 1.00 0.00 C ATOM 134 CG GLN A 9 -0.011 9.302 3.301 1.00 0.00 C ATOM 135 CD GLN A 9 -0.645 10.625 2.919 1.00 0.00 C ATOM 136 OE1 GLN A 9 -0.880 10.899 1.738 1.00 0.00 O ATOM 137 NE2 GLN A 9 -0.922 11.459 3.915 1.00 0.00 N ATOM 0 H GLN A 9 0.831 6.795 1.694 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.145 6.735 4.501 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.351 8.133 2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.821 8.280 3.797 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.326 9.349 4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.873 9.135 2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.711 11.193 4.877 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.345 12.366 3.718 1.00 0.00 H new ATOM 146 N VAL A 10 -1.794 4.894 4.031 1.00 0.00 N ATOM 147 CA VAL A 10 -2.692 3.745 3.827 1.00 0.00 C ATOM 148 C VAL A 10 -4.054 4.075 4.450 1.00 0.00 C ATOM 149 O VAL A 10 -4.135 4.395 5.639 1.00 0.00 O ATOM 150 CB VAL A 10 -2.137 2.451 4.450 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.109 1.298 4.239 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.778 2.114 3.856 1.00 0.00 C ATOM 0 H VAL A 10 -1.581 5.075 5.012 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.785 3.570 2.755 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.016 2.610 5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.701 0.391 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.063 1.536 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.260 1.140 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.401 1.197 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.876 1.975 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.082 2.929 4.054 1.00 0.00 H new ATOM 162 N LYS A 11 -5.104 4.033 3.623 1.00 0.00 N ATOM 163 CA LYS A 11 -6.481 4.312 4.042 1.00 0.00 C ATOM 164 C LYS A 11 -7.316 3.051 3.761 1.00 0.00 C ATOM 165 O LYS A 11 -7.386 2.592 2.626 1.00 0.00 O ATOM 166 CB LYS A 11 -7.055 5.525 3.310 1.00 0.00 C ATOM 167 CG LYS A 11 -8.472 5.899 3.724 1.00 0.00 C ATOM 168 CD LYS A 11 -8.988 7.085 2.923 1.00 0.00 C ATOM 169 CE LYS A 11 -10.351 7.540 3.422 1.00 0.00 C ATOM 170 NZ LYS A 11 -10.843 8.736 2.686 1.00 0.00 N ATOM 0 H LYS A 11 -5.020 3.802 2.633 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.504 4.555 5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.402 6.380 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.043 5.326 2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.133 5.044 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.491 6.140 4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.279 7.910 2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.057 6.813 1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.068 6.726 3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.290 7.769 4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.774 9.013 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.173 9.521 2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.926 8.511 1.674 1.00 0.00 H new ATOM 184 N ILE A 12 -7.931 2.486 4.810 1.00 0.00 N ATOM 185 CA ILE A 12 -8.804 1.304 4.685 1.00 0.00 C ATOM 186 C ILE A 12 -10.132 1.533 5.432 1.00 0.00 C ATOM 187 O ILE A 12 -10.145 2.038 6.554 1.00 0.00 O ATOM 188 CB ILE A 12 -8.127 0.033 5.230 1.00 0.00 C ATOM 189 CG1 ILE A 12 -9.049 -1.177 5.067 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.742 0.220 6.690 1.00 0.00 C ATOM 191 CD1 ILE A 12 -8.369 -2.503 5.318 1.00 0.00 C ATOM 0 H ILE A 12 -7.840 2.831 5.765 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.999 1.161 3.622 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.219 -0.148 4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.890 -1.076 5.753 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.459 -1.176 4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.265 -0.688 7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.049 1.057 6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.636 0.425 7.279 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.087 -3.312 5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.545 -2.628 4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.983 -2.527 6.337 1.00 0.00 H new ATOM 203 N THR A 13 -11.250 1.175 4.782 1.00 0.00 N ATOM 204 CA THR A 13 -12.587 1.227 5.389 1.00 0.00 C ATOM 205 C THR A 13 -13.033 -0.202 5.772 1.00 0.00 C ATOM 206 O THR A 13 -13.019 -1.114 4.928 1.00 0.00 O ATOM 207 CB THR A 13 -13.623 1.857 4.440 1.00 0.00 C ATOM 208 OG1 THR A 13 -13.273 3.223 4.185 1.00 0.00 O ATOM 209 CG2 THR A 13 -15.013 1.799 5.055 1.00 0.00 C ATOM 0 H THR A 13 -11.251 0.841 3.818 1.00 0.00 H new ATOM 0 HA THR A 13 -12.528 1.854 6.279 1.00 0.00 H new ATOM 0 HB THR A 13 -13.627 1.296 3.506 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.932 3.622 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.733 2.249 4.371 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.287 0.760 5.238 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.017 2.347 5.997 1.00 0.00 H new ATOM 217 N CYS A 14 -13.389 -0.373 7.058 1.00 0.00 N ATOM 218 CA CYS A 14 -13.779 -1.664 7.659 1.00 0.00 C ATOM 219 C CYS A 14 -14.780 -1.429 8.798 1.00 0.00 C ATOM 220 O CYS A 14 -14.618 -0.483 9.575 1.00 0.00 O ATOM 221 CB CYS A 14 -12.527 -2.423 8.173 1.00 0.00 C ATOM 222 SG CYS A 14 -12.850 -3.962 9.110 1.00 0.00 S ATOM 0 H CYS A 14 -13.415 0.399 7.724 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.258 -2.279 6.897 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.898 -2.668 7.317 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -11.953 -1.748 8.808 1.00 0.00 H new ATOM 227 N ASN A 15 -15.848 -2.264 8.844 1.00 0.00 N ATOM 228 CA ASN A 15 -16.903 -2.217 9.894 1.00 0.00 C ATOM 229 C ASN A 15 -17.589 -0.819 9.952 1.00 0.00 C ATOM 230 O ASN A 15 -17.998 -0.334 11.015 1.00 0.00 O ATOM 231 CB ASN A 15 -16.341 -2.581 11.257 1.00 0.00 C ATOM 232 CG ASN A 15 -17.388 -3.001 12.249 1.00 0.00 C ATOM 233 OD1 ASN A 15 -18.436 -3.548 11.884 1.00 0.00 O ATOM 234 ND2 ASN A 15 -17.149 -2.676 13.494 1.00 0.00 N ATOM 0 H ASN A 15 -16.005 -2.995 8.150 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.657 -2.956 9.623 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -15.620 -3.390 11.139 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -15.797 -1.725 11.656 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -17.843 -2.873 14.215 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.268 -2.226 13.744 1.00 0.00 H new ATOM 241 N GLY A 16 -17.719 -0.182 8.774 1.00 0.00 N ATOM 242 CA GLY A 16 -18.343 1.136 8.651 1.00 0.00 C ATOM 243 C GLY A 16 -17.443 2.277 9.103 1.00 0.00 C ATOM 244 O GLY A 16 -17.825 3.441 8.977 1.00 0.00 O ATOM 0 H GLY A 16 -17.394 -0.569 7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.629 1.299 7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.260 1.152 9.240 1.00 0.00 H new ATOM 248 N LYS A 17 -16.241 1.948 9.621 1.00 0.00 N ATOM 249 CA LYS A 17 -15.270 2.938 10.130 1.00 0.00 C ATOM 250 C LYS A 17 -14.013 2.965 9.255 1.00 0.00 C ATOM 251 O LYS A 17 -13.444 1.926 8.917 1.00 0.00 O ATOM 252 CB LYS A 17 -14.894 2.635 11.580 1.00 0.00 C ATOM 253 CG LYS A 17 -13.907 3.618 12.193 1.00 0.00 C ATOM 254 CD LYS A 17 -14.573 4.951 12.502 1.00 0.00 C ATOM 255 CE LYS A 17 -13.641 5.872 13.275 1.00 0.00 C ATOM 256 NZ LYS A 17 -14.215 7.234 13.441 1.00 0.00 N ATOM 0 H LYS A 17 -15.916 0.984 9.698 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.742 3.920 10.092 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -15.802 2.626 12.184 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.468 1.633 11.630 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.491 3.196 13.108 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.074 3.775 11.508 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.874 5.433 11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -15.481 4.780 13.081 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.438 5.442 14.256 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.686 5.942 12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.548 7.829 13.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.385 7.655 12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.114 7.171 13.961 1.00 0.00 H new ATOM 270 N THR A 18 -13.599 4.187 8.900 1.00 0.00 N ATOM 271 CA THR A 18 -12.455 4.442 8.028 1.00 0.00 C ATOM 272 C THR A 18 -11.204 4.647 8.901 1.00 0.00 C ATOM 273 O THR A 18 -11.206 5.491 9.802 1.00 0.00 O ATOM 274 CB THR A 18 -12.675 5.675 7.133 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.787 5.441 6.259 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.434 5.959 6.302 1.00 0.00 C ATOM 0 H THR A 18 -14.060 5.039 9.218 1.00 0.00 H new ATOM 0 HA THR A 18 -12.327 3.583 7.369 1.00 0.00 H new ATOM 0 HB THR A 18 -12.878 6.536 7.770 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.561 4.729 5.625 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.608 6.834 5.676 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.589 6.149 6.964 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.214 5.098 5.670 1.00 0.00 H new ATOM 284 N TYR A 19 -10.157 3.853 8.643 1.00 0.00 N ATOM 285 CA TYR A 19 -8.892 3.916 9.388 1.00 0.00 C ATOM 286 C TYR A 19 -7.792 4.314 8.403 1.00 0.00 C ATOM 287 O TYR A 19 -7.590 3.635 7.392 1.00 0.00 O ATOM 288 CB TYR A 19 -8.564 2.534 10.032 1.00 0.00 C ATOM 289 CG TYR A 19 -9.673 1.990 10.933 1.00 0.00 C ATOM 290 CD1 TYR A 19 -9.785 2.356 12.279 1.00 0.00 C ATOM 291 CD2 TYR A 19 -10.630 1.108 10.422 1.00 0.00 C ATOM 292 CE1 TYR A 19 -10.808 1.861 13.072 1.00 0.00 C ATOM 293 CE2 TYR A 19 -11.640 0.619 11.212 1.00 0.00 C ATOM 294 CZ TYR A 19 -11.732 0.991 12.531 1.00 0.00 C ATOM 295 OH TYR A 19 -12.759 0.500 13.306 1.00 0.00 O ATOM 0 H TYR A 19 -10.163 3.145 7.908 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.967 4.646 10.194 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.367 1.812 9.239 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.648 2.625 10.615 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.062 3.035 12.707 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.573 0.806 9.387 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.882 2.155 14.109 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -12.367 -0.062 10.794 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.318 -0.098 12.767 1.00 0.00 H new ATOM 305 N GLU A 20 -7.110 5.432 8.675 1.00 0.00 N ATOM 306 CA GLU A 20 -6.045 5.936 7.795 1.00 0.00 C ATOM 307 C GLU A 20 -4.834 6.315 8.647 1.00 0.00 C ATOM 308 O GLU A 20 -4.996 6.799 9.780 1.00 0.00 O ATOM 309 CB GLU A 20 -6.523 7.138 6.977 1.00 0.00 C ATOM 310 CG GLU A 20 -6.885 8.360 7.808 1.00 0.00 C ATOM 311 CD GLU A 20 -7.391 9.480 6.942 1.00 0.00 C ATOM 312 OE1 GLU A 20 -7.521 9.277 5.759 1.00 0.00 O ATOM 313 OE2 GLU A 20 -7.756 10.500 7.477 1.00 0.00 O ATOM 0 H GLU A 20 -7.276 6.008 9.500 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.768 5.152 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.742 7.414 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.393 6.841 6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.646 8.092 8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.010 8.695 8.365 1.00 0.00 H new ATOM 320 N ARG A 21 -3.630 6.076 8.116 1.00 0.00 N ATOM 321 CA ARG A 21 -2.387 6.423 8.805 1.00 0.00 C ATOM 322 C ARG A 21 -1.269 6.674 7.785 1.00 0.00 C ATOM 323 O ARG A 21 -1.156 5.951 6.796 1.00 0.00 O ATOM 324 CB ARG A 21 -1.986 5.381 9.839 1.00 0.00 C ATOM 325 CG ARG A 21 -0.841 5.793 10.751 1.00 0.00 C ATOM 326 CD ARG A 21 -0.577 4.848 11.866 1.00 0.00 C ATOM 327 NE ARG A 21 0.566 5.197 12.694 1.00 0.00 N ATOM 328 CZ ARG A 21 0.793 4.711 13.930 1.00 0.00 C ATOM 329 NH1 ARG A 21 -0.058 3.887 14.501 1.00 0.00 N ATOM 330 NH2 ARG A 21 1.883 5.104 14.565 1.00 0.00 N ATOM 0 H ARG A 21 -3.492 5.640 7.204 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.560 7.345 9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.855 5.147 10.454 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.706 4.464 9.320 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.065 5.894 10.154 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.060 6.776 11.168 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.464 4.794 12.497 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.419 3.852 11.452 1.00 0.00 H new ATOM 0 HE ARG A 21 1.244 5.856 12.312 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.905 3.606 14.008 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.129 3.528 15.437 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.526 5.758 14.118 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.082 4.753 15.502 1.00 0.00 H new ATOM 344 N THR A 22 -0.460 7.714 8.040 1.00 0.00 N ATOM 345 CA THR A 22 0.729 8.028 7.244 1.00 0.00 C ATOM 346 C THR A 22 1.955 7.360 7.890 1.00 0.00 C ATOM 347 O THR A 22 2.166 7.483 9.105 1.00 0.00 O ATOM 348 CB THR A 22 0.965 9.546 7.130 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.138 10.153 6.442 1.00 0.00 O ATOM 350 CG2 THR A 22 2.250 9.831 6.368 1.00 0.00 C ATOM 0 H THR A 22 -0.617 8.363 8.811 1.00 0.00 H new ATOM 0 HA THR A 22 0.572 7.646 6.235 1.00 0.00 H new ATOM 0 HB THR A 22 1.050 9.961 8.134 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.258 11.071 6.763 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.400 10.908 6.298 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.092 9.381 6.894 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.180 9.408 5.366 1.00 0.00 H new ATOM 358 N TYR A 23 2.715 6.619 7.080 1.00 0.00 N ATOM 359 CA TYR A 23 3.907 5.886 7.527 1.00 0.00 C ATOM 360 C TYR A 23 5.141 6.485 6.839 1.00 0.00 C ATOM 361 O TYR A 23 5.088 6.833 5.661 1.00 0.00 O ATOM 362 CB TYR A 23 3.787 4.394 7.215 1.00 0.00 C ATOM 363 CG TYR A 23 2.554 3.741 7.801 1.00 0.00 C ATOM 364 CD1 TYR A 23 2.578 3.193 9.074 1.00 0.00 C ATOM 365 CD2 TYR A 23 1.371 3.675 7.080 1.00 0.00 C ATOM 366 CE1 TYR A 23 1.456 2.597 9.616 1.00 0.00 C ATOM 367 CE2 TYR A 23 0.243 3.083 7.611 1.00 0.00 C ATOM 368 CZ TYR A 23 0.289 2.543 8.880 1.00 0.00 C ATOM 369 OH TYR A 23 -0.832 1.949 9.415 1.00 0.00 O ATOM 0 H TYR A 23 2.520 6.508 6.085 1.00 0.00 H new ATOM 0 HA TYR A 23 4.004 5.984 8.608 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.778 4.259 6.133 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.672 3.882 7.593 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.490 3.233 9.652 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.332 4.094 6.085 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.491 2.176 10.610 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.671 3.043 7.036 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.713 1.836 10.381 1.00 0.00 H new ATOM 379 N GLN A 24 6.250 6.576 7.575 1.00 0.00 N ATOM 380 CA GLN A 24 7.546 6.960 6.997 1.00 0.00 C ATOM 381 C GLN A 24 8.343 5.680 6.747 1.00 0.00 C ATOM 382 O GLN A 24 8.678 4.952 7.688 1.00 0.00 O ATOM 383 CB GLN A 24 8.319 7.900 7.926 1.00 0.00 C ATOM 384 CG GLN A 24 7.719 9.291 8.045 1.00 0.00 C ATOM 385 CD GLN A 24 6.531 9.329 8.988 1.00 0.00 C ATOM 386 OE1 GLN A 24 6.491 8.607 9.988 1.00 0.00 O ATOM 387 NE2 GLN A 24 5.553 10.170 8.672 1.00 0.00 N ATOM 0 H GLN A 24 6.280 6.389 8.577 1.00 0.00 H new ATOM 0 HA GLN A 24 7.385 7.501 6.064 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.369 7.452 8.918 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.344 7.988 7.565 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.482 9.984 8.398 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.408 9.635 7.059 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.628 10.748 7.835 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.727 10.238 9.266 1.00 0.00 H new ATOM 396 N LEU A 25 8.611 5.401 5.471 1.00 0.00 N ATOM 397 CA LEU A 25 9.431 4.260 5.035 1.00 0.00 C ATOM 398 C LEU A 25 10.769 4.798 4.524 1.00 0.00 C ATOM 399 O LEU A 25 10.791 5.657 3.644 1.00 0.00 O ATOM 400 CB LEU A 25 8.714 3.446 3.950 1.00 0.00 C ATOM 401 CG LEU A 25 7.378 2.825 4.375 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.871 1.884 3.290 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.558 2.083 5.691 1.00 0.00 C ATOM 0 H LEU A 25 8.262 5.966 4.697 1.00 0.00 H new ATOM 0 HA LEU A 25 9.600 3.587 5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.539 4.092 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.378 2.648 3.619 1.00 0.00 H new ATOM 0 HG LEU A 25 6.639 3.614 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.922 1.448 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.729 2.440 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.599 1.090 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.608 1.642 5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.301 1.295 5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.894 2.780 6.459 1.00 0.00 H new ATOM 415 N TYR A 26 11.876 4.312 5.091 1.00 0.00 N ATOM 416 CA TYR A 26 13.227 4.816 4.780 1.00 0.00 C ATOM 417 C TYR A 26 14.151 3.631 4.460 1.00 0.00 C ATOM 418 O TYR A 26 14.554 2.898 5.369 1.00 0.00 O ATOM 419 CB TYR A 26 13.791 5.636 5.942 1.00 0.00 C ATOM 420 CG TYR A 26 15.050 6.401 5.599 1.00 0.00 C ATOM 421 CD1 TYR A 26 16.299 5.818 5.747 1.00 0.00 C ATOM 422 CD2 TYR A 26 14.985 7.706 5.132 1.00 0.00 C ATOM 423 CE1 TYR A 26 17.452 6.511 5.436 1.00 0.00 C ATOM 424 CE2 TYR A 26 16.132 8.409 4.817 1.00 0.00 C ATOM 425 CZ TYR A 26 17.364 7.807 4.971 1.00 0.00 C ATOM 426 OH TYR A 26 18.510 8.504 4.660 1.00 0.00 O ATOM 0 H TYR A 26 11.867 3.559 5.779 1.00 0.00 H new ATOM 0 HA TYR A 26 13.165 5.473 3.912 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.031 6.340 6.280 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.000 4.968 6.777 1.00 0.00 H new ATOM 0 HD1 TYR A 26 16.371 4.804 6.112 1.00 0.00 H new ATOM 0 HD2 TYR A 26 14.022 8.180 5.013 1.00 0.00 H new ATOM 0 HE1 TYR A 26 18.417 6.041 5.556 1.00 0.00 H new ATOM 0 HE2 TYR A 26 16.065 9.423 4.453 1.00 0.00 H new ATOM 0 HH TYR A 26 18.272 9.401 4.346 1.00 0.00 H new ATOM 436 N ALA A 27 14.477 3.458 3.171 1.00 0.00 N ATOM 437 CA ALA A 27 15.064 2.219 2.647 1.00 0.00 C ATOM 438 C ALA A 27 16.136 2.556 1.611 1.00 0.00 C ATOM 439 O ALA A 27 16.038 3.567 0.902 1.00 0.00 O ATOM 440 CB ALA A 27 13.982 1.305 2.036 1.00 0.00 C ATOM 0 H ALA A 27 14.340 4.177 2.461 1.00 0.00 H new ATOM 0 HA ALA A 27 15.524 1.676 3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.446 0.395 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.250 1.047 2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.484 1.827 1.219 1.00 0.00 H new ATOM 446 N VAL A 28 17.160 1.697 1.554 1.00 0.00 N ATOM 447 CA VAL A 28 18.290 1.821 0.624 1.00 0.00 C ATOM 448 C VAL A 28 17.905 1.232 -0.753 1.00 0.00 C ATOM 449 O VAL A 28 18.245 1.793 -1.799 1.00 0.00 O ATOM 450 CB VAL A 28 19.548 1.108 1.157 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.657 1.135 0.116 1.00 0.00 C ATOM 452 CG2 VAL A 28 20.018 1.755 2.452 1.00 0.00 C ATOM 0 H VAL A 28 17.229 0.882 2.163 1.00 0.00 H new ATOM 0 HA VAL A 28 18.521 2.881 0.523 1.00 0.00 H new ATOM 0 HB VAL A 28 19.294 0.068 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.538 0.627 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.320 0.628 -0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 28 20.909 2.169 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.907 1.239 2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.255 2.803 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.228 1.687 3.200 1.00 0.00 H new ATOM 462 N ARG A 29 17.172 0.098 -0.734 1.00 0.00 N ATOM 463 CA ARG A 29 16.823 -0.670 -1.951 1.00 0.00 C ATOM 464 C ARG A 29 15.298 -0.841 -2.073 1.00 0.00 C ATOM 465 O ARG A 29 14.578 -0.823 -1.071 1.00 0.00 O ATOM 466 CB ARG A 29 17.539 -2.011 -2.017 1.00 0.00 C ATOM 467 CG ARG A 29 19.054 -1.923 -2.102 1.00 0.00 C ATOM 468 CD ARG A 29 19.759 -3.195 -1.797 1.00 0.00 C ATOM 469 NE ARG A 29 19.637 -3.636 -0.417 1.00 0.00 N ATOM 470 CZ ARG A 29 20.026 -4.844 0.038 1.00 0.00 C ATOM 471 NH1 ARG A 29 20.524 -5.746 -0.778 1.00 0.00 N ATOM 472 NH2 ARG A 29 19.870 -5.106 1.323 1.00 0.00 N ATOM 0 H ARG A 29 16.805 -0.312 0.125 1.00 0.00 H new ATOM 0 HA ARG A 29 17.171 -0.091 -2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.272 -2.593 -1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.172 -2.560 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.332 -1.599 -3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.401 -1.154 -1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.371 -3.976 -2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 29 20.816 -3.076 -2.035 1.00 0.00 H new ATOM 0 HE ARG A 29 19.228 -2.986 0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.621 -5.537 -1.772 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.814 -6.655 -0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.465 -4.403 1.941 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.155 -6.011 1.697 1.00 0.00 H new ATOM 486 N ASP A 30 14.829 -1.038 -3.318 1.00 0.00 N ATOM 487 CA ASP A 30 13.402 -1.260 -3.641 1.00 0.00 C ATOM 488 C ASP A 30 12.860 -2.528 -2.947 1.00 0.00 C ATOM 489 O ASP A 30 11.725 -2.538 -2.447 1.00 0.00 O ATOM 490 CB ASP A 30 13.205 -1.366 -5.155 1.00 0.00 C ATOM 491 CG ASP A 30 13.338 -0.045 -5.901 1.00 0.00 C ATOM 492 OD1 ASP A 30 13.350 0.978 -5.259 1.00 0.00 O ATOM 493 OD2 ASP A 30 13.581 -0.076 -7.083 1.00 0.00 O ATOM 0 H ASP A 30 15.434 -1.048 -4.139 1.00 0.00 H new ATOM 0 HA ASP A 30 12.841 -0.403 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.934 -2.070 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.217 -1.783 -5.352 1.00 0.00 H new ATOM 498 N GLU A 31 13.693 -3.586 -2.912 1.00 0.00 N ATOM 499 CA GLU A 31 13.344 -4.870 -2.273 1.00 0.00 C ATOM 500 C GLU A 31 13.168 -4.692 -0.749 1.00 0.00 C ATOM 501 O GLU A 31 12.333 -5.352 -0.136 1.00 0.00 O ATOM 502 CB GLU A 31 14.413 -5.923 -2.564 1.00 0.00 C ATOM 503 CG GLU A 31 14.499 -6.348 -4.023 1.00 0.00 C ATOM 504 CD GLU A 31 13.180 -6.874 -4.517 1.00 0.00 C ATOM 505 OE1 GLU A 31 12.631 -7.740 -3.879 1.00 0.00 O ATOM 506 OE2 GLU A 31 12.667 -6.335 -5.468 1.00 0.00 O ATOM 0 H GLU A 31 14.625 -3.575 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 31 12.397 -5.211 -2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.383 -5.533 -2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.214 -6.804 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.806 -5.499 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.265 -7.116 -4.136 1.00 0.00 H new ATOM 513 N GLU A 32 13.967 -3.785 -0.162 1.00 0.00 N ATOM 514 CA GLU A 32 13.867 -3.412 1.263 1.00 0.00 C ATOM 515 C GLU A 32 12.531 -2.695 1.565 1.00 0.00 C ATOM 516 O GLU A 32 11.891 -2.961 2.590 1.00 0.00 O ATOM 517 CB GLU A 32 15.044 -2.519 1.665 1.00 0.00 C ATOM 518 CG GLU A 32 16.392 -3.226 1.679 1.00 0.00 C ATOM 519 CD GLU A 32 17.520 -2.247 1.843 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.261 -1.067 1.857 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.627 -2.677 2.069 1.00 0.00 O ATOM 0 H GLU A 32 14.703 -3.287 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 32 13.899 -4.330 1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.097 -1.676 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.852 -2.109 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.416 -3.951 2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.523 -3.783 0.751 1.00 0.00 H new ATOM 528 N LEU A 33 12.131 -1.791 0.655 1.00 0.00 N ATOM 529 CA LEU A 33 10.865 -1.022 0.738 1.00 0.00 C ATOM 530 C LEU A 33 9.644 -1.980 0.620 1.00 0.00 C ATOM 531 O LEU A 33 8.648 -1.804 1.329 1.00 0.00 O ATOM 532 CB LEU A 33 10.869 0.076 -0.389 1.00 0.00 C ATOM 533 CG LEU A 33 10.052 1.404 -0.171 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.550 1.171 0.081 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.671 2.272 0.947 1.00 0.00 C ATOM 0 H LEU A 33 12.682 -1.566 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 33 10.784 -0.525 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.907 0.355 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.500 -0.390 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 33 10.121 1.948 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.052 2.130 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.113 0.658 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.421 0.560 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.082 3.181 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.675 1.712 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.694 2.537 0.678 1.00 0.00 H new ATOM 547 N LYS A 34 9.760 -3.004 -0.262 1.00 0.00 N ATOM 548 CA LYS A 34 8.718 -4.042 -0.471 1.00 0.00 C ATOM 549 C LYS A 34 8.300 -4.750 0.828 1.00 0.00 C ATOM 550 O LYS A 34 7.108 -4.825 1.134 1.00 0.00 O ATOM 551 CB LYS A 34 9.205 -5.083 -1.481 1.00 0.00 C ATOM 552 CG LYS A 34 9.107 -4.642 -2.936 1.00 0.00 C ATOM 553 CD LYS A 34 9.630 -5.716 -3.876 1.00 0.00 C ATOM 554 CE LYS A 34 9.078 -7.087 -3.513 1.00 0.00 C ATOM 555 NZ LYS A 34 9.723 -8.173 -4.299 1.00 0.00 N ATOM 0 H LYS A 34 10.582 -3.134 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 34 7.839 -3.522 -0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.243 -5.330 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.625 -5.997 -1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.069 -4.416 -3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.675 -3.723 -3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.354 -5.470 -4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.719 -5.738 -3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.231 -7.269 -2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.002 -7.103 -3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.433 -9.096 -3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.431 -8.102 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.757 -8.081 -4.234 1.00 0.00 H new ATOM 569 N GLU A 35 9.293 -5.283 1.571 1.00 0.00 N ATOM 570 CA GLU A 35 9.049 -5.975 2.852 1.00 0.00 C ATOM 571 C GLU A 35 8.531 -5.009 3.933 1.00 0.00 C ATOM 572 O GLU A 35 7.753 -5.414 4.809 1.00 0.00 O ATOM 573 CB GLU A 35 10.327 -6.664 3.336 1.00 0.00 C ATOM 574 CG GLU A 35 11.504 -5.724 3.555 1.00 0.00 C ATOM 575 CD GLU A 35 12.704 -6.463 4.076 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.626 -7.660 4.219 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.736 -5.852 4.225 1.00 0.00 O ATOM 0 H GLU A 35 10.276 -5.246 1.302 1.00 0.00 H new ATOM 0 HA GLU A 35 8.278 -6.725 2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.114 -7.183 4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.614 -7.423 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.757 -5.231 2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.221 -4.942 4.260 1.00 0.00 H new ATOM 584 N LYS A 36 8.913 -3.720 3.814 1.00 0.00 N ATOM 585 CA LYS A 36 8.402 -2.651 4.687 1.00 0.00 C ATOM 586 C LYS A 36 6.907 -2.420 4.429 1.00 0.00 C ATOM 587 O LYS A 36 6.126 -2.346 5.371 1.00 0.00 O ATOM 588 CB LYS A 36 9.183 -1.354 4.471 1.00 0.00 C ATOM 589 CG LYS A 36 10.573 -1.346 5.093 1.00 0.00 C ATOM 590 CD LYS A 36 11.258 -0.001 4.900 1.00 0.00 C ATOM 591 CE LYS A 36 12.690 -0.029 5.416 1.00 0.00 C ATOM 592 NZ LYS A 36 12.746 -0.229 6.889 1.00 0.00 N ATOM 0 H LYS A 36 9.580 -3.396 3.114 1.00 0.00 H new ATOM 0 HA LYS A 36 8.535 -2.963 5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.276 -1.174 3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.608 -0.525 4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.499 -1.569 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.179 -2.133 4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.256 0.262 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.696 0.774 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.239 -0.830 4.920 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.187 0.906 5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.727 -0.124 7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.147 0.479 7.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.403 -1.183 7.123 1.00 0.00 H new ATOM 606 N LEU A 37 6.529 -2.360 3.133 1.00 0.00 N ATOM 607 CA LEU A 37 5.124 -2.227 2.693 1.00 0.00 C ATOM 608 C LEU A 37 4.280 -3.425 3.145 1.00 0.00 C ATOM 609 O LEU A 37 3.144 -3.245 3.559 1.00 0.00 O ATOM 610 CB LEU A 37 5.055 -2.079 1.168 1.00 0.00 C ATOM 611 CG LEU A 37 5.563 -0.740 0.620 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.664 -0.803 -0.899 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.623 0.376 1.051 1.00 0.00 C ATOM 0 H LEU A 37 7.193 -2.403 2.360 1.00 0.00 H new ATOM 0 HA LEU A 37 4.713 -1.331 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.635 -2.883 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.021 -2.214 0.852 1.00 0.00 H new ATOM 0 HG LEU A 37 6.556 -0.536 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.026 0.152 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.358 -1.594 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.681 -1.013 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.985 1.327 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.624 0.181 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.586 0.421 2.139 1.00 0.00 H new ATOM 625 N LYS A 38 4.867 -4.635 3.072 1.00 0.00 N ATOM 626 CA LYS A 38 4.222 -5.873 3.534 1.00 0.00 C ATOM 627 C LYS A 38 3.936 -5.817 5.043 1.00 0.00 C ATOM 628 O LYS A 38 2.841 -6.189 5.482 1.00 0.00 O ATOM 629 CB LYS A 38 5.095 -7.087 3.210 1.00 0.00 C ATOM 630 CG LYS A 38 5.187 -7.417 1.726 1.00 0.00 C ATOM 631 CD LYS A 38 6.253 -8.468 1.458 1.00 0.00 C ATOM 632 CE LYS A 38 5.744 -9.868 1.771 1.00 0.00 C ATOM 633 NZ LYS A 38 6.724 -10.917 1.383 1.00 0.00 N ATOM 0 H LYS A 38 5.802 -4.779 2.691 1.00 0.00 H new ATOM 0 HA LYS A 38 3.272 -5.971 3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.100 -6.909 3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.701 -7.955 3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.221 -7.777 1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.416 -6.512 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.562 -8.417 0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.135 -8.256 2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.532 -9.947 2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.804 -10.038 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.299 -11.856 1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.985 -10.796 0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.575 -10.833 1.975 1.00 0.00 H new ATOM 647 N LYS A 39 4.914 -5.300 5.816 1.00 0.00 N ATOM 648 CA LYS A 39 4.777 -5.135 7.276 1.00 0.00 C ATOM 649 C LYS A 39 3.664 -4.119 7.616 1.00 0.00 C ATOM 650 O LYS A 39 2.809 -4.396 8.457 1.00 0.00 O ATOM 651 CB LYS A 39 6.104 -4.691 7.892 1.00 0.00 C ATOM 652 CG LYS A 39 7.171 -5.776 7.939 1.00 0.00 C ATOM 653 CD LYS A 39 8.446 -5.272 8.598 1.00 0.00 C ATOM 654 CE LYS A 39 9.527 -6.342 8.606 1.00 0.00 C ATOM 655 NZ LYS A 39 10.780 -5.864 9.252 1.00 0.00 N ATOM 0 H LYS A 39 5.813 -4.988 5.448 1.00 0.00 H new ATOM 0 HA LYS A 39 4.500 -6.100 7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.489 -3.844 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.919 -4.336 8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.792 -6.638 8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.392 -6.115 6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.808 -4.391 8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.231 -4.962 9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.161 -7.223 9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.741 -6.649 7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.490 -6.624 9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.144 -5.039 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.582 -5.595 10.237 1.00 0.00 H new ATOM 669 N VAL A 40 3.684 -2.973 6.912 1.00 0.00 N ATOM 670 CA VAL A 40 2.690 -1.885 7.038 1.00 0.00 C ATOM 671 C VAL A 40 1.251 -2.354 6.708 1.00 0.00 C ATOM 672 O VAL A 40 0.309 -2.037 7.442 1.00 0.00 O ATOM 673 CB VAL A 40 3.048 -0.699 6.123 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.894 0.291 6.058 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.312 -0.009 6.614 1.00 0.00 C ATOM 0 H VAL A 40 4.408 -2.770 6.223 1.00 0.00 H new ATOM 0 HA VAL A 40 2.719 -1.571 8.081 1.00 0.00 H new ATOM 0 HB VAL A 40 3.232 -1.082 5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.164 1.123 5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.009 -0.207 5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.681 0.668 7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.550 0.826 5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.154 0.361 7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.139 -0.719 6.612 1.00 0.00 H new ATOM 685 N LEU A 41 1.107 -3.112 5.612 1.00 0.00 N ATOM 686 CA LEU A 41 -0.180 -3.717 5.208 1.00 0.00 C ATOM 687 C LEU A 41 -0.657 -4.741 6.247 1.00 0.00 C ATOM 688 O LEU A 41 -1.811 -4.702 6.656 1.00 0.00 O ATOM 689 CB LEU A 41 -0.060 -4.352 3.790 1.00 0.00 C ATOM 690 CG LEU A 41 -0.115 -3.339 2.594 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.319 -3.998 1.268 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.524 -2.720 2.465 1.00 0.00 C ATOM 0 H LEU A 41 1.876 -3.326 4.977 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.933 -2.930 5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.879 -4.903 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.863 -5.078 3.666 1.00 0.00 H new ATOM 0 HG LEU A 41 0.594 -2.539 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.268 -3.265 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.342 -4.364 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.345 -4.832 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.539 -2.021 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.254 -3.510 2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.775 -2.192 3.385 1.00 0.00 H new ATOM 704 N ASN A 42 0.248 -5.637 6.686 1.00 0.00 N ATOM 705 CA ASN A 42 -0.084 -6.674 7.690 1.00 0.00 C ATOM 706 C ASN A 42 -0.509 -6.044 9.029 1.00 0.00 C ATOM 707 O ASN A 42 -1.490 -6.484 9.616 1.00 0.00 O ATOM 708 CB ASN A 42 1.076 -7.627 7.908 1.00 0.00 C ATOM 709 CG ASN A 42 1.289 -8.592 6.775 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.385 -8.844 5.970 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.451 -9.193 6.755 1.00 0.00 N ATOM 0 H ASN A 42 1.215 -5.666 6.363 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.926 -7.242 7.294 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.987 -7.048 8.056 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.904 -8.190 8.825 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.644 -9.906 6.052 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.164 -8.948 7.442 1.00 0.00 H new ATOM 718 N GLU A 43 0.226 -5.012 9.488 1.00 0.00 N ATOM 719 CA GLU A 43 -0.045 -4.325 10.774 1.00 0.00 C ATOM 720 C GLU A 43 -1.384 -3.573 10.721 1.00 0.00 C ATOM 721 O GLU A 43 -2.157 -3.610 11.685 1.00 0.00 O ATOM 722 CB GLU A 43 1.088 -3.356 11.120 1.00 0.00 C ATOM 723 CG GLU A 43 2.378 -4.030 11.565 1.00 0.00 C ATOM 724 CD GLU A 43 3.487 -3.029 11.733 1.00 0.00 C ATOM 725 OE1 GLU A 43 3.271 -1.876 11.444 1.00 0.00 O ATOM 726 OE2 GLU A 43 4.515 -3.393 12.254 1.00 0.00 O ATOM 0 H GLU A 43 1.024 -4.629 8.981 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.105 -5.085 11.553 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.298 -2.736 10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.749 -2.688 11.912 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.212 -4.553 12.507 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.671 -4.781 10.831 1.00 0.00 H new ATOM 733 N ARG A 44 -1.641 -2.909 9.575 1.00 0.00 N ATOM 734 CA ARG A 44 -2.900 -2.180 9.312 1.00 0.00 C ATOM 735 C ARG A 44 -4.086 -3.159 9.276 1.00 0.00 C ATOM 736 O ARG A 44 -5.193 -2.836 9.741 1.00 0.00 O ATOM 737 CB ARG A 44 -2.832 -1.336 8.047 1.00 0.00 C ATOM 738 CG ARG A 44 -4.054 -0.468 7.791 1.00 0.00 C ATOM 739 CD ARG A 44 -4.122 0.756 8.629 1.00 0.00 C ATOM 740 NE ARG A 44 -4.696 0.552 9.949 1.00 0.00 N ATOM 741 CZ ARG A 44 -4.884 1.525 10.861 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.512 2.762 10.618 1.00 0.00 N ATOM 743 NH2 ARG A 44 -5.432 1.199 12.019 1.00 0.00 N ATOM 0 H ARG A 44 -0.977 -2.863 8.802 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.052 -1.481 10.134 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.953 -0.694 8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.689 -1.998 7.193 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.064 -0.176 6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.950 -1.063 7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.116 1.160 8.743 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.710 1.509 8.103 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.976 -0.395 10.202 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.074 2.997 9.728 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.662 3.487 11.320 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.700 0.232 12.202 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.587 1.914 12.729 1.00 0.00 H new ATOM 757 N MET A 45 -3.832 -4.359 8.732 1.00 0.00 N ATOM 758 CA MET A 45 -4.868 -5.384 8.534 1.00 0.00 C ATOM 759 C MET A 45 -5.066 -6.272 9.764 1.00 0.00 C ATOM 760 O MET A 45 -6.095 -6.931 9.862 1.00 0.00 O ATOM 761 CB MET A 45 -4.517 -6.249 7.324 1.00 0.00 C ATOM 762 CG MET A 45 -4.593 -5.523 5.989 1.00 0.00 C ATOM 763 SD MET A 45 -6.238 -4.866 5.647 1.00 0.00 S ATOM 764 CE MET A 45 -7.162 -6.378 5.396 1.00 0.00 C ATOM 0 H MET A 45 -2.905 -4.646 8.418 1.00 0.00 H new ATOM 0 HA MET A 45 -5.808 -4.859 8.363 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.508 -6.641 7.453 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.191 -7.105 7.297 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.871 -4.706 5.983 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.306 -6.208 5.191 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.220 -6.143 5.280 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.801 -6.880 4.498 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.028 -7.033 6.257 1.00 0.00 H new ATOM 774 N ASP A 46 -4.124 -6.254 10.722 1.00 0.00 N ATOM 775 CA ASP A 46 -4.250 -7.047 11.964 1.00 0.00 C ATOM 776 C ASP A 46 -5.572 -6.723 12.712 1.00 0.00 C ATOM 777 O ASP A 46 -6.371 -7.649 12.938 1.00 0.00 O ATOM 778 CB ASP A 46 -3.051 -6.795 12.881 1.00 0.00 C ATOM 779 CG ASP A 46 -1.777 -7.516 12.464 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.857 -8.386 11.629 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.719 -7.091 12.862 1.00 0.00 O ATOM 0 H ASP A 46 -3.268 -5.702 10.664 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.270 -8.100 11.685 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.853 -5.724 12.914 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.313 -7.102 13.894 1.00 0.00 H new ATOM 786 N PRO A 47 -5.880 -5.416 13.070 1.00 0.00 N ATOM 787 CA PRO A 47 -7.167 -5.078 13.733 1.00 0.00 C ATOM 788 C PRO A 47 -8.371 -5.315 12.800 1.00 0.00 C ATOM 789 O PRO A 47 -9.465 -5.596 13.270 1.00 0.00 O ATOM 790 CB PRO A 47 -7.018 -3.600 14.107 1.00 0.00 C ATOM 791 CG PRO A 47 -6.001 -3.075 13.153 1.00 0.00 C ATOM 792 CD PRO A 47 -5.027 -4.205 12.946 1.00 0.00 C ATOM 0 HA PRO A 47 -7.363 -5.706 14.602 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.965 -3.069 14.010 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.691 -3.483 15.140 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.462 -2.776 12.212 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.501 -2.194 13.557 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.547 -4.149 11.969 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.233 -4.194 13.692 1.00 0.00 H new ATOM 800 N ILE A 48 -8.116 -5.287 11.475 1.00 0.00 N ATOM 801 CA ILE A 48 -9.144 -5.458 10.429 1.00 0.00 C ATOM 802 C ILE A 48 -9.641 -6.927 10.381 1.00 0.00 C ATOM 803 O ILE A 48 -10.813 -7.195 10.061 1.00 0.00 O ATOM 804 CB ILE A 48 -8.611 -5.055 9.042 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.111 -3.608 9.060 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.690 -5.234 7.984 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.193 -2.592 9.351 1.00 0.00 C ATOM 0 H ILE A 48 -7.179 -5.143 11.098 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.976 -4.802 10.686 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.773 -5.706 8.792 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.326 -3.514 9.810 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.659 -3.378 8.095 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.296 -4.944 7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.000 -6.278 7.954 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.548 -4.607 8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.762 -1.591 9.347 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.968 -2.657 8.587 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.630 -2.795 10.329 1.00 0.00 H new ATOM 819 N LYS A 49 -8.741 -7.870 10.733 1.00 0.00 N ATOM 820 CA LYS A 49 -9.069 -9.308 10.834 1.00 0.00 C ATOM 821 C LYS A 49 -9.939 -9.562 12.072 1.00 0.00 C ATOM 822 O LYS A 49 -10.895 -10.347 12.029 1.00 0.00 O ATOM 823 CB LYS A 49 -7.799 -10.157 10.898 1.00 0.00 C ATOM 824 CG LYS A 49 -6.989 -10.175 9.607 1.00 0.00 C ATOM 825 CD LYS A 49 -5.725 -11.007 9.760 1.00 0.00 C ATOM 826 CE LYS A 49 -4.891 -10.987 8.487 1.00 0.00 C ATOM 827 NZ LYS A 49 -3.648 -11.792 8.623 1.00 0.00 N ATOM 0 H LYS A 49 -7.769 -7.656 10.955 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.624 -9.596 9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.167 -9.784 11.704 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.073 -11.180 11.155 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.598 -10.580 8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.724 -9.155 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.133 -10.623 10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.991 -12.035 10.006 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.485 -11.374 7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.631 -9.958 8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.109 -11.752 7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.069 -11.408 9.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.896 -12.780 8.833 1.00 0.00 H new ATOM 841 N LYS A 50 -9.590 -8.871 13.165 1.00 0.00 N ATOM 842 CA LYS A 50 -10.368 -8.860 14.409 1.00 0.00 C ATOM 843 C LYS A 50 -11.777 -8.278 14.137 1.00 0.00 C ATOM 844 O LYS A 50 -12.750 -8.672 14.779 1.00 0.00 O ATOM 845 CB LYS A 50 -9.650 -8.053 15.491 1.00 0.00 C ATOM 846 CG LYS A 50 -8.321 -8.646 15.941 1.00 0.00 C ATOM 847 CD LYS A 50 -7.653 -7.774 16.993 1.00 0.00 C ATOM 848 CE LYS A 50 -6.238 -8.249 17.291 1.00 0.00 C ATOM 849 NZ LYS A 50 -5.566 -7.395 18.307 1.00 0.00 N ATOM 0 H LYS A 50 -8.748 -8.297 13.210 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.471 -9.883 14.770 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.476 -7.043 15.119 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.306 -7.965 16.357 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.485 -9.645 16.345 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.659 -8.754 15.082 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.626 -6.741 16.648 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.244 -7.789 17.909 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.269 -9.279 17.646 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.653 -8.246 16.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.605 -7.753 18.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.513 -6.417 17.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.109 -7.417 19.194 1.00 0.00 H new ATOM 863 N LEU A 51 -11.871 -7.356 13.157 1.00 0.00 N ATOM 864 CA LEU A 51 -13.152 -6.724 12.770 1.00 0.00 C ATOM 865 C LEU A 51 -13.897 -7.652 11.792 1.00 0.00 C ATOM 866 O LEU A 51 -15.128 -7.637 11.725 1.00 0.00 O ATOM 867 CB LEU A 51 -12.914 -5.346 12.137 1.00 0.00 C ATOM 868 CG LEU A 51 -12.349 -4.282 13.086 1.00 0.00 C ATOM 869 CD1 LEU A 51 -12.021 -3.012 12.311 1.00 0.00 C ATOM 870 CD2 LEU A 51 -13.358 -3.995 14.188 1.00 0.00 C ATOM 0 H LEU A 51 -11.070 -7.030 12.615 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.761 -6.574 13.661 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.228 -5.463 11.298 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.858 -4.983 11.730 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.430 -4.652 13.540 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.620 -2.262 12.994 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.281 -3.236 11.543 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.927 -2.628 11.842 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.955 -3.239 14.862 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.286 -3.631 13.746 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.557 -4.910 14.746 1.00 0.00 H new ATOM 882 N GLY A 52 -13.123 -8.487 11.069 1.00 0.00 N ATOM 883 CA GLY A 52 -13.679 -9.567 10.258 1.00 0.00 C ATOM 884 C GLY A 52 -14.314 -9.058 8.977 1.00 0.00 C ATOM 885 O GLY A 52 -15.377 -9.535 8.564 1.00 0.00 O ATOM 0 H GLY A 52 -12.105 -8.425 11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.889 -10.277 10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.425 -10.108 10.840 1.00 0.00 H new ATOM 889 N CYS A 53 -13.666 -8.056 8.360 1.00 0.00 N ATOM 890 CA CYS A 53 -14.136 -7.461 7.105 1.00 0.00 C ATOM 891 C CYS A 53 -13.734 -8.367 5.924 1.00 0.00 C ATOM 892 O CYS A 53 -12.660 -8.195 5.346 1.00 0.00 O ATOM 893 CB CYS A 53 -13.604 -6.020 6.963 1.00 0.00 C ATOM 894 SG CYS A 53 -14.390 -4.861 8.128 1.00 0.00 S ATOM 0 H CYS A 53 -12.806 -7.640 8.718 1.00 0.00 H new ATOM 0 HA CYS A 53 -15.224 -7.391 7.107 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.526 -6.017 7.126 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -13.773 -5.674 5.943 1.00 0.00 H new ATOM 899 N LYS A 54 -14.632 -9.334 5.616 1.00 0.00 N ATOM 900 CA LYS A 54 -14.488 -10.341 4.529 1.00 0.00 C ATOM 901 C LYS A 54 -13.902 -9.737 3.239 1.00 0.00 C ATOM 902 O LYS A 54 -13.001 -10.308 2.614 1.00 0.00 O ATOM 903 CB LYS A 54 -15.841 -10.987 4.222 1.00 0.00 C ATOM 904 CG LYS A 54 -15.784 -12.104 3.188 1.00 0.00 C ATOM 905 CD LYS A 54 -17.148 -12.747 2.991 1.00 0.00 C ATOM 906 CE LYS A 54 -17.110 -13.804 1.897 1.00 0.00 C ATOM 907 NZ LYS A 54 -18.437 -14.450 1.702 1.00 0.00 N ATOM 0 H LYS A 54 -15.505 -9.441 6.132 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.788 -11.095 4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.258 -11.385 5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.526 -10.216 3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.427 -11.705 2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.066 -12.860 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.477 -13.200 3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.879 -11.981 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.788 -13.347 0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.371 -14.563 2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.368 -15.163 0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.733 -14.909 2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.138 -13.730 1.434 1.00 0.00 H new ATOM 921 N ARG A 55 -14.426 -8.571 2.866 1.00 0.00 N ATOM 922 CA ARG A 55 -13.964 -7.800 1.708 1.00 0.00 C ATOM 923 C ARG A 55 -13.620 -6.387 2.190 1.00 0.00 C ATOM 924 O ARG A 55 -14.365 -5.811 2.989 1.00 0.00 O ATOM 925 CB ARG A 55 -14.961 -7.794 0.557 1.00 0.00 C ATOM 926 CG ARG A 55 -14.529 -6.989 -0.659 1.00 0.00 C ATOM 927 CD ARG A 55 -15.465 -7.068 -1.809 1.00 0.00 C ATOM 928 NE ARG A 55 -15.075 -6.268 -2.959 1.00 0.00 N ATOM 929 CZ ARG A 55 -15.728 -6.254 -4.138 1.00 0.00 C ATOM 930 NH1 ARG A 55 -16.777 -7.020 -4.340 1.00 0.00 N ATOM 931 NH2 ARG A 55 -15.269 -5.467 -5.096 1.00 0.00 N ATOM 0 H ARG A 55 -15.196 -8.126 3.366 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.076 -8.277 1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.143 -8.823 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.910 -7.398 0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.417 -5.945 -0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.547 -7.337 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.552 -8.109 -2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.454 -6.750 -1.479 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.249 -5.676 -2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.108 -7.637 -3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.260 -6.997 -5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.442 -4.892 -4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.741 -5.434 -5.999 1.00 0.00 H new ATOM 945 N VAL A 56 -12.493 -5.835 1.729 1.00 0.00 N ATOM 946 CA VAL A 56 -12.011 -4.508 2.166 1.00 0.00 C ATOM 947 C VAL A 56 -11.550 -3.672 0.959 1.00 0.00 C ATOM 948 O VAL A 56 -11.212 -4.223 -0.095 1.00 0.00 O ATOM 949 CB VAL A 56 -10.850 -4.625 3.172 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.313 -5.327 4.439 1.00 0.00 C ATOM 951 CG2 VAL A 56 -9.679 -5.369 2.550 1.00 0.00 C ATOM 0 H VAL A 56 -11.887 -6.288 1.045 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.848 -4.012 2.658 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.519 -3.620 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.481 -5.401 5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.122 -4.757 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.669 -6.327 4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.868 -5.442 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.997 -6.370 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.331 -4.829 1.670 1.00 0.00 H new ATOM 961 N ARG A 57 -11.567 -2.340 1.122 1.00 0.00 N ATOM 962 CA ARG A 57 -11.028 -1.394 0.131 1.00 0.00 C ATOM 963 C ARG A 57 -9.846 -0.649 0.771 1.00 0.00 C ATOM 964 O ARG A 57 -10.010 -0.037 1.827 1.00 0.00 O ATOM 965 CB ARG A 57 -12.079 -0.442 -0.419 1.00 0.00 C ATOM 966 CG ARG A 57 -11.558 0.576 -1.421 1.00 0.00 C ATOM 967 CD ARG A 57 -12.619 1.311 -2.156 1.00 0.00 C ATOM 968 NE ARG A 57 -13.447 0.476 -3.011 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.547 0.903 -3.663 1.00 0.00 C ATOM 970 NH1 ARG A 57 -14.975 2.138 -3.532 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.199 0.037 -4.420 1.00 0.00 N ATOM 0 H ARG A 57 -11.957 -1.886 1.948 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.684 -1.953 -0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.866 -1.028 -0.894 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.537 0.091 0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.931 1.296 -0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.921 0.065 -2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.259 1.818 -1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.152 2.084 -2.766 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.177 -0.501 -3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.473 2.790 -2.930 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.809 2.444 -4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.866 -0.924 -4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.035 0.330 -4.926 1.00 0.00 H new ATOM 985 N ILE A 58 -8.662 -0.746 0.151 1.00 0.00 N ATOM 986 CA ILE A 58 -7.440 -0.100 0.655 1.00 0.00 C ATOM 987 C ILE A 58 -6.931 0.879 -0.422 1.00 0.00 C ATOM 988 O ILE A 58 -6.717 0.481 -1.569 1.00 0.00 O ATOM 989 CB ILE A 58 -6.339 -1.121 1.000 1.00 0.00 C ATOM 990 CG1 ILE A 58 -6.829 -2.090 2.079 1.00 0.00 C ATOM 991 CG2 ILE A 58 -5.075 -0.407 1.454 1.00 0.00 C ATOM 992 CD1 ILE A 58 -5.910 -3.269 2.303 1.00 0.00 C ATOM 0 H ILE A 58 -8.523 -1.273 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.682 0.427 1.578 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.105 -1.695 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.943 -1.547 3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.817 -2.459 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.308 -1.143 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.718 0.243 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.293 0.191 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.324 -3.910 3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.815 -3.837 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.928 -2.911 2.612 1.00 0.00 H new ATOM 1004 N SER A 59 -6.752 2.153 -0.053 1.00 0.00 N ATOM 1005 CA SER A 59 -6.183 3.168 -0.938 1.00 0.00 C ATOM 1006 C SER A 59 -4.820 3.581 -0.364 1.00 0.00 C ATOM 1007 O SER A 59 -4.701 3.866 0.833 1.00 0.00 O ATOM 1008 CB SER A 59 -7.112 4.359 -1.067 1.00 0.00 C ATOM 1009 OG SER A 59 -8.280 4.043 -1.773 1.00 0.00 O ATOM 0 H SER A 59 -6.999 2.507 0.871 1.00 0.00 H new ATOM 0 HA SER A 59 -6.055 2.763 -1.942 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.376 4.721 -0.073 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.591 5.171 -1.574 1.00 0.00 H new ATOM 0 HG SER A 59 -8.851 4.837 -1.832 1.00 0.00 H new ATOM 1015 N ILE A 60 -3.785 3.539 -1.220 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.403 3.860 -0.830 1.00 0.00 C ATOM 1017 C ILE A 60 -1.889 5.041 -1.660 1.00 0.00 C ATOM 1018 O ILE A 60 -1.944 5.016 -2.896 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.460 2.656 -1.013 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -1.909 1.486 -0.133 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.027 3.050 -0.689 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -1.124 0.215 -0.362 1.00 0.00 C ATOM 0 H ILE A 60 -3.884 3.281 -2.202 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.413 4.122 0.228 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.502 2.338 -2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.818 1.775 0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.965 1.288 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.627 2.188 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.289 3.852 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.032 3.392 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.499 -0.568 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.235 -0.099 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.070 0.395 -0.148 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.414 6.080 -0.971 1.00 0.00 N ATOM 1035 CA ARG A 61 -0.866 7.279 -1.601 1.00 0.00 C ATOM 1036 C ARG A 61 0.615 7.378 -1.210 1.00 0.00 C ATOM 1037 O ARG A 61 0.949 7.303 -0.020 1.00 0.00 O ATOM 1038 CB ARG A 61 -1.645 8.541 -1.261 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.109 9.814 -1.896 1.00 0.00 C ATOM 1040 CD ARG A 61 -1.964 11.011 -1.686 1.00 0.00 C ATOM 1041 NE ARG A 61 -1.441 12.235 -2.270 1.00 0.00 N ATOM 1042 CZ ARG A 61 -0.608 13.087 -1.642 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -0.231 12.874 -0.400 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -0.198 14.158 -2.298 1.00 0.00 N ATOM 0 H ARG A 61 -1.399 6.112 0.048 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.959 7.192 -2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.681 8.406 -1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.650 8.667 -0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.116 10.016 -1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.991 9.650 -2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.951 10.815 -2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.098 11.163 -0.615 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.725 12.465 -3.222 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.570 12.054 0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.400 13.529 0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.513 14.322 -3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.433 14.821 -1.848 1.00 0.00 H new ATOM 1058 N VAL A 62 1.489 7.523 -2.211 1.00 0.00 N ATOM 1059 CA VAL A 62 2.943 7.567 -2.005 1.00 0.00 C ATOM 1060 C VAL A 62 3.428 9.001 -2.239 1.00 0.00 C ATOM 1061 O VAL A 62 2.888 9.701 -3.103 1.00 0.00 O ATOM 1062 CB VAL A 62 3.696 6.606 -2.944 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.804 7.200 -4.340 1.00 0.00 C ATOM 1064 CG2 VAL A 62 5.078 6.293 -2.391 1.00 0.00 C ATOM 0 H VAL A 62 1.210 7.613 -3.188 1.00 0.00 H new ATOM 0 HA VAL A 62 3.151 7.248 -0.984 1.00 0.00 H new ATOM 0 HB VAL A 62 3.132 5.676 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.339 6.507 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.805 7.374 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.346 8.145 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.595 5.613 -3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.650 7.216 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.981 5.826 -1.411 1.00 0.00 H new ATOM 1074 N LYS A 63 4.441 9.438 -1.474 1.00 0.00 N ATOM 1075 CA LYS A 63 4.951 10.809 -1.565 1.00 0.00 C ATOM 1076 C LYS A 63 5.966 10.887 -2.713 1.00 0.00 C ATOM 1077 O LYS A 63 6.899 10.072 -2.781 1.00 0.00 O ATOM 1078 CB LYS A 63 5.589 11.248 -0.245 1.00 0.00 C ATOM 1079 CG LYS A 63 6.042 12.701 -0.218 1.00 0.00 C ATOM 1080 CD LYS A 63 6.563 13.093 1.156 1.00 0.00 C ATOM 1081 CE LYS A 63 6.946 14.565 1.204 1.00 0.00 C ATOM 1082 NZ LYS A 63 7.422 14.972 2.554 1.00 0.00 N ATOM 0 H LYS A 63 4.921 8.858 -0.786 1.00 0.00 H new ATOM 0 HA LYS A 63 4.122 11.488 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.873 11.088 0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.448 10.609 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.823 12.854 -0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.209 13.349 -0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.801 12.889 1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.430 12.481 1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.727 14.761 0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.086 15.173 0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.673 15.981 2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.668 14.809 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.258 14.410 2.811 1.00 0.00 H new ATOM 1096 N HIS A 64 5.751 11.847 -3.624 1.00 0.00 N ATOM 1097 CA HIS A 64 6.518 11.972 -4.871 1.00 0.00 C ATOM 1098 C HIS A 64 7.592 13.050 -4.729 1.00 0.00 C ATOM 1099 O HIS A 64 7.375 14.080 -4.083 1.00 0.00 O ATOM 1100 CB HIS A 64 5.597 12.300 -6.051 1.00 0.00 C ATOM 1101 CG HIS A 64 4.433 11.368 -6.182 1.00 0.00 C ATOM 1102 ND1 HIS A 64 4.533 10.132 -6.788 1.00 0.00 N ATOM 1103 CD2 HIS A 64 3.144 11.490 -5.788 1.00 0.00 C ATOM 1104 CE1 HIS A 64 3.355 9.534 -6.758 1.00 0.00 C ATOM 1105 NE2 HIS A 64 2.495 10.337 -6.158 1.00 0.00 N ATOM 0 H HIS A 64 5.034 12.564 -3.515 1.00 0.00 H new ATOM 0 HA HIS A 64 7.000 11.015 -5.068 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.225 13.318 -5.938 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.178 12.273 -6.973 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.707 12.336 -5.278 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.133 8.555 -7.156 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.509 10.134 -5.996 1.00 0.00 H new ATOM 1113 N SER A 65 8.740 12.792 -5.355 1.00 0.00 N ATOM 1114 CA SER A 65 9.916 13.663 -5.311 1.00 0.00 C ATOM 1115 C SER A 65 9.579 15.089 -5.781 1.00 0.00 C ATOM 1116 O SER A 65 10.021 16.071 -5.174 1.00 0.00 O ATOM 1117 CB SER A 65 11.028 13.075 -6.158 1.00 0.00 C ATOM 1118 OG SER A 65 11.503 11.865 -5.637 1.00 0.00 O ATOM 0 H SER A 65 8.882 11.954 -5.919 1.00 0.00 H new ATOM 0 HA SER A 65 10.251 13.728 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.664 12.914 -7.173 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.849 13.788 -6.223 1.00 0.00 H new ATOM 0 HG SER A 65 12.217 11.519 -6.212 1.00 0.00 H new ATOM 1124 N ASP A 66 8.764 15.188 -6.839 1.00 0.00 N ATOM 1125 CA ASP A 66 8.397 16.483 -7.463 1.00 0.00 C ATOM 1126 C ASP A 66 7.155 16.317 -8.359 1.00 0.00 C ATOM 1127 O ASP A 66 6.756 15.192 -8.644 1.00 0.00 O ATOM 1128 CB ASP A 66 9.565 17.045 -8.278 1.00 0.00 C ATOM 1129 CG ASP A 66 9.516 18.553 -8.487 1.00 0.00 C ATOM 1130 OD1 ASP A 66 8.585 19.169 -8.025 1.00 0.00 O ATOM 1131 OD2 ASP A 66 10.483 19.097 -8.967 1.00 0.00 O ATOM 0 H ASP A 66 8.337 14.380 -7.292 1.00 0.00 H new ATOM 0 HA ASP A 66 8.163 17.188 -6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.499 16.790 -7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.582 16.555 -9.252 1.00 0.00 H new ATOM 1136 N ALA A 67 6.568 17.458 -8.800 1.00 0.00 N ATOM 1137 CA ALA A 67 5.337 17.506 -9.629 1.00 0.00 C ATOM 1138 C ALA A 67 5.428 16.626 -10.901 1.00 0.00 C ATOM 1139 O ALA A 67 4.626 15.700 -11.081 1.00 0.00 O ATOM 1140 CB ALA A 67 5.008 18.963 -9.997 1.00 0.00 C ATOM 0 H ALA A 67 6.941 18.383 -8.587 1.00 0.00 H new ATOM 0 HA ALA A 67 4.529 17.090 -9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.104 18.989 -10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.850 19.541 -9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.837 19.392 -10.560 1.00 0.00 H new ATOM 1146 N ALA A 68 6.416 16.919 -11.764 1.00 0.00 N ATOM 1147 CA ALA A 68 6.671 16.129 -12.994 1.00 0.00 C ATOM 1148 C ALA A 68 7.108 14.700 -12.646 1.00 0.00 C ATOM 1149 O ALA A 68 6.804 13.755 -13.377 1.00 0.00 O ATOM 1150 CB ALA A 68 7.728 16.821 -13.865 1.00 0.00 C ATOM 0 H ALA A 68 7.058 17.701 -11.636 1.00 0.00 H new ATOM 0 HA ALA A 68 5.741 16.069 -13.560 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.904 16.229 -14.763 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.374 17.813 -14.147 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.658 16.914 -13.304 1.00 0.00 H new ATOM 1156 N GLU A 69 7.848 14.560 -11.540 1.00 0.00 N ATOM 1157 CA GLU A 69 8.310 13.254 -11.046 1.00 0.00 C ATOM 1158 C GLU A 69 7.145 12.358 -10.608 1.00 0.00 C ATOM 1159 O GLU A 69 7.315 11.143 -10.564 1.00 0.00 O ATOM 1160 CB GLU A 69 9.287 13.441 -9.882 1.00 0.00 C ATOM 1161 CG GLU A 69 10.585 14.143 -10.257 1.00 0.00 C ATOM 1162 CD GLU A 69 11.348 13.364 -11.291 1.00 0.00 C ATOM 1163 OE1 GLU A 69 11.610 12.207 -11.062 1.00 0.00 O ATOM 1164 OE2 GLU A 69 11.572 13.889 -12.356 1.00 0.00 O ATOM 0 H GLU A 69 8.144 15.346 -10.962 1.00 0.00 H new ATOM 0 HA GLU A 69 8.818 12.758 -11.873 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.793 14.013 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.525 12.463 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.365 15.140 -10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.202 14.272 -9.367 1.00 0.00 H new ATOM 1171 N GLU A 70 5.971 12.959 -10.286 1.00 0.00 N ATOM 1172 CA GLU A 70 4.788 12.212 -9.784 1.00 0.00 C ATOM 1173 C GLU A 70 4.444 11.022 -10.682 1.00 0.00 C ATOM 1174 O GLU A 70 4.155 9.945 -10.182 1.00 0.00 O ATOM 1175 CB GLU A 70 3.574 13.137 -9.670 1.00 0.00 C ATOM 1176 CG GLU A 70 3.650 14.135 -8.523 1.00 0.00 C ATOM 1177 CD GLU A 70 2.462 15.056 -8.522 1.00 0.00 C ATOM 1178 OE1 GLU A 70 1.663 14.967 -9.423 1.00 0.00 O ATOM 1179 OE2 GLU A 70 2.291 15.772 -7.563 1.00 0.00 O ATOM 0 H GLU A 70 5.818 13.964 -10.366 1.00 0.00 H new ATOM 0 HA GLU A 70 5.046 11.830 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.461 13.685 -10.605 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.679 12.528 -9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.699 13.600 -7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.566 14.720 -8.607 1.00 0.00 H new ATOM 1186 N LYS A 71 4.496 11.246 -12.007 1.00 0.00 N ATOM 1187 CA LYS A 71 4.234 10.201 -13.020 1.00 0.00 C ATOM 1188 C LYS A 71 5.311 9.092 -12.970 1.00 0.00 C ATOM 1189 O LYS A 71 4.986 7.899 -13.006 1.00 0.00 O ATOM 1190 CB LYS A 71 4.176 10.814 -14.420 1.00 0.00 C ATOM 1191 CG LYS A 71 2.951 11.684 -14.675 1.00 0.00 C ATOM 1192 CD LYS A 71 2.964 12.258 -16.084 1.00 0.00 C ATOM 1193 CE LYS A 71 1.759 13.153 -16.328 1.00 0.00 C ATOM 1194 NZ LYS A 71 1.771 13.743 -17.694 1.00 0.00 N ATOM 0 H LYS A 71 4.721 12.156 -12.409 1.00 0.00 H new ATOM 0 HA LYS A 71 3.269 9.750 -12.791 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.072 11.414 -14.578 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.196 10.011 -15.156 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.046 11.094 -14.529 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.922 12.497 -13.949 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.880 12.828 -16.238 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.969 11.445 -16.810 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.845 12.576 -16.190 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.745 13.953 -15.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.933 14.346 -17.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.631 14.315 -17.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.758 12.981 -18.401 1.00 0.00 H new ATOM 1208 N LYS A 72 6.587 9.505 -12.855 1.00 0.00 N ATOM 1209 CA LYS A 72 7.727 8.575 -12.824 1.00 0.00 C ATOM 1210 C LYS A 72 7.640 7.701 -11.570 1.00 0.00 C ATOM 1211 O LYS A 72 7.779 6.490 -11.655 1.00 0.00 O ATOM 1212 CB LYS A 72 9.071 9.343 -12.842 1.00 0.00 C ATOM 1213 CG LYS A 72 9.354 10.102 -14.150 1.00 0.00 C ATOM 1214 CD LYS A 72 10.656 10.930 -14.061 1.00 0.00 C ATOM 1215 CE LYS A 72 10.855 11.857 -15.260 1.00 0.00 C ATOM 1216 NZ LYS A 72 12.026 12.762 -15.079 1.00 0.00 N ATOM 0 H LYS A 72 6.854 10.487 -12.782 1.00 0.00 H new ATOM 0 HA LYS A 72 7.686 7.945 -13.713 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.080 10.053 -12.015 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.881 8.636 -12.664 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.430 9.392 -14.973 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.517 10.763 -14.375 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.641 11.524 -13.147 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.507 10.253 -13.987 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.995 11.259 -16.161 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.955 12.454 -15.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.017 13.493 -15.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.974 13.214 -14.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.905 12.210 -15.148 1.00 0.00 H new ATOM 1230 N GLU A 73 7.317 8.353 -10.437 1.00 0.00 N ATOM 1231 CA GLU A 73 7.242 7.738 -9.096 1.00 0.00 C ATOM 1232 C GLU A 73 6.015 6.843 -8.921 1.00 0.00 C ATOM 1233 O GLU A 73 6.095 5.827 -8.240 1.00 0.00 O ATOM 1234 CB GLU A 73 7.241 8.822 -8.015 1.00 0.00 C ATOM 1235 CG GLU A 73 8.560 9.570 -7.873 1.00 0.00 C ATOM 1236 CD GLU A 73 9.688 8.631 -7.548 1.00 0.00 C ATOM 1237 OE1 GLU A 73 9.558 7.876 -6.615 1.00 0.00 O ATOM 1238 OE2 GLU A 73 10.634 8.588 -8.300 1.00 0.00 O ATOM 0 H GLU A 73 7.095 9.348 -10.428 1.00 0.00 H new ATOM 0 HA GLU A 73 8.124 7.106 -8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.452 9.540 -8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.993 8.363 -7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.781 10.101 -8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.472 10.321 -7.088 1.00 0.00 H new ATOM 1245 N ALA A 74 4.880 7.242 -9.517 1.00 0.00 N ATOM 1246 CA ALA A 74 3.644 6.455 -9.467 1.00 0.00 C ATOM 1247 C ALA A 74 3.854 5.135 -10.209 1.00 0.00 C ATOM 1248 O ALA A 74 3.534 4.093 -9.677 1.00 0.00 O ATOM 1249 CB ALA A 74 2.470 7.235 -10.063 1.00 0.00 C ATOM 0 H ALA A 74 4.796 8.112 -10.042 1.00 0.00 H new ATOM 0 HA ALA A 74 3.400 6.245 -8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.567 6.627 -10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.320 8.155 -9.498 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.686 7.479 -11.103 1.00 0.00 H new ATOM 1255 N LYS A 75 4.452 5.232 -11.417 1.00 0.00 N ATOM 1256 CA LYS A 75 4.795 4.083 -12.300 1.00 0.00 C ATOM 1257 C LYS A 75 5.826 3.146 -11.608 1.00 0.00 C ATOM 1258 O LYS A 75 5.684 1.911 -11.616 1.00 0.00 O ATOM 1259 CB LYS A 75 5.345 4.579 -13.638 1.00 0.00 C ATOM 1260 CG LYS A 75 5.683 3.472 -14.629 1.00 0.00 C ATOM 1261 CD LYS A 75 6.147 4.043 -15.960 1.00 0.00 C ATOM 1262 CE LYS A 75 6.520 2.938 -16.937 1.00 0.00 C ATOM 1263 NZ LYS A 75 7.000 3.483 -18.236 1.00 0.00 N ATOM 0 H LYS A 75 4.718 6.131 -11.819 1.00 0.00 H new ATOM 0 HA LYS A 75 3.884 3.515 -12.487 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.613 5.246 -14.093 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.242 5.170 -13.452 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.463 2.834 -14.213 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.807 2.843 -14.787 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.357 4.659 -16.389 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.006 4.694 -15.799 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.296 2.312 -16.497 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.654 2.299 -17.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.244 2.698 -18.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.251 4.060 -18.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.842 4.073 -18.075 1.00 0.00 H new ATOM 1277 N LYS A 76 6.849 3.778 -11.023 1.00 0.00 N ATOM 1278 CA LYS A 76 7.947 3.124 -10.283 1.00 0.00 C ATOM 1279 C LYS A 76 7.426 2.360 -9.049 1.00 0.00 C ATOM 1280 O LYS A 76 7.680 1.158 -8.886 1.00 0.00 O ATOM 1281 CB LYS A 76 8.990 4.159 -9.856 1.00 0.00 C ATOM 1282 CG LYS A 76 10.147 3.588 -9.047 1.00 0.00 C ATOM 1283 CD LYS A 76 11.021 4.694 -8.474 1.00 0.00 C ATOM 1284 CE LYS A 76 11.858 5.356 -9.558 1.00 0.00 C ATOM 1285 NZ LYS A 76 12.609 6.533 -9.040 1.00 0.00 N ATOM 0 H LYS A 76 6.944 4.793 -11.049 1.00 0.00 H new ATOM 0 HA LYS A 76 8.411 2.401 -10.954 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.390 4.643 -10.747 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.497 4.932 -9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.757 2.973 -8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.750 2.937 -9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.393 5.442 -7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.676 4.282 -7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.560 4.630 -9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.210 5.671 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.243 6.894 -9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.939 7.279 -8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.170 6.250 -8.212 1.00 0.00 H new ATOM 1299 N PHE A 77 6.656 3.075 -8.220 1.00 0.00 N ATOM 1300 CA PHE A 77 6.043 2.530 -6.994 1.00 0.00 C ATOM 1301 C PHE A 77 4.939 1.507 -7.347 1.00 0.00 C ATOM 1302 O PHE A 77 4.688 0.583 -6.578 1.00 0.00 O ATOM 1303 CB PHE A 77 5.469 3.657 -6.134 1.00 0.00 C ATOM 1304 CG PHE A 77 5.202 3.257 -4.711 1.00 0.00 C ATOM 1305 CD1 PHE A 77 6.249 2.947 -3.855 1.00 0.00 C ATOM 1306 CD2 PHE A 77 3.906 3.190 -4.225 1.00 0.00 C ATOM 1307 CE1 PHE A 77 6.006 2.579 -2.546 1.00 0.00 C ATOM 1308 CE2 PHE A 77 3.660 2.824 -2.915 1.00 0.00 C ATOM 1309 CZ PHE A 77 4.711 2.518 -2.075 1.00 0.00 C ATOM 0 H PHE A 77 6.436 4.058 -8.379 1.00 0.00 H new ATOM 0 HA PHE A 77 6.818 2.019 -6.422 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.164 4.497 -6.141 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.540 4.008 -6.584 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.266 2.994 -4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.078 3.427 -4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.830 2.339 -1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.645 2.778 -2.549 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.520 2.231 -1.051 1.00 0.00 H new ATOM 1319 N ALA A 78 4.265 1.709 -8.505 1.00 0.00 N ATOM 1320 CA ALA A 78 3.245 0.765 -9.016 1.00 0.00 C ATOM 1321 C ALA A 78 3.827 -0.627 -9.173 1.00 0.00 C ATOM 1322 O ALA A 78 3.187 -1.602 -8.800 1.00 0.00 O ATOM 1323 CB ALA A 78 2.678 1.220 -10.358 1.00 0.00 C ATOM 0 H ALA A 78 4.411 2.521 -9.104 1.00 0.00 H new ATOM 0 HA ALA A 78 2.439 0.744 -8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.933 0.502 -10.700 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.213 2.199 -10.243 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.483 1.285 -11.090 1.00 0.00 H new ATOM 1329 N ALA A 79 5.049 -0.700 -9.739 1.00 0.00 N ATOM 1330 CA ALA A 79 5.777 -1.967 -9.922 1.00 0.00 C ATOM 1331 C ALA A 79 6.073 -2.618 -8.561 1.00 0.00 C ATOM 1332 O ALA A 79 5.892 -3.820 -8.385 1.00 0.00 O ATOM 1333 CB ALA A 79 7.073 -1.724 -10.710 1.00 0.00 C ATOM 0 H ALA A 79 5.556 0.117 -10.080 1.00 0.00 H new ATOM 0 HA ALA A 79 5.152 -2.653 -10.494 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.603 -2.668 -10.839 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.832 -1.307 -11.688 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.706 -1.025 -10.163 1.00 0.00 H new ATOM 1339 N ILE A 80 6.456 -1.770 -7.596 1.00 0.00 N ATOM 1340 CA ILE A 80 6.749 -2.166 -6.208 1.00 0.00 C ATOM 1341 C ILE A 80 5.518 -2.786 -5.524 1.00 0.00 C ATOM 1342 O ILE A 80 5.602 -3.904 -4.998 1.00 0.00 O ATOM 1343 CB ILE A 80 7.237 -0.969 -5.372 1.00 0.00 C ATOM 1344 CG1 ILE A 80 8.555 -0.427 -5.933 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.400 -1.369 -3.914 1.00 0.00 C ATOM 1346 CD1 ILE A 80 9.688 -1.427 -5.903 1.00 0.00 C ATOM 0 H ILE A 80 6.574 -0.770 -7.760 1.00 0.00 H new ATOM 0 HA ILE A 80 7.541 -2.913 -6.260 1.00 0.00 H new ATOM 0 HB ILE A 80 6.488 -0.179 -5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.396 -0.103 -6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 80 8.846 0.455 -5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.746 -0.511 -3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.442 -1.708 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.130 -2.175 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.587 -0.970 -6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.876 -1.733 -4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.419 -2.300 -6.497 1.00 0.00 H new ATOM 1358 N LEU A 81 4.374 -2.076 -5.584 1.00 0.00 N ATOM 1359 CA LEU A 81 3.119 -2.510 -4.945 1.00 0.00 C ATOM 1360 C LEU A 81 2.591 -3.789 -5.617 1.00 0.00 C ATOM 1361 O LEU A 81 2.114 -4.686 -4.941 1.00 0.00 O ATOM 1362 CB LEU A 81 2.069 -1.394 -5.012 1.00 0.00 C ATOM 1363 CG LEU A 81 2.306 -0.215 -4.060 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.256 0.862 -4.290 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.268 -0.708 -2.621 1.00 0.00 C ATOM 0 H LEU A 81 4.296 -1.186 -6.077 1.00 0.00 H new ATOM 0 HA LEU A 81 3.321 -2.729 -3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.031 -1.014 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.091 -1.824 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 81 3.286 0.219 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.433 1.694 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.317 1.216 -5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.264 0.448 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.436 0.130 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.294 -1.151 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.046 -1.456 -2.472 1.00 0.00 H new ATOM 1377 N ASN A 82 2.754 -3.860 -6.946 1.00 0.00 N ATOM 1378 CA ASN A 82 2.365 -5.020 -7.779 1.00 0.00 C ATOM 1379 C ASN A 82 3.066 -6.308 -7.290 1.00 0.00 C ATOM 1380 O ASN A 82 2.447 -7.377 -7.222 1.00 0.00 O ATOM 1381 CB ASN A 82 2.669 -4.783 -9.247 1.00 0.00 C ATOM 1382 CG ASN A 82 1.706 -3.846 -9.920 1.00 0.00 C ATOM 1383 OD1 ASN A 82 0.602 -3.594 -9.423 1.00 0.00 O ATOM 1384 ND2 ASN A 82 2.082 -3.392 -11.089 1.00 0.00 N ATOM 0 H ASN A 82 3.167 -3.101 -7.488 1.00 0.00 H new ATOM 0 HA ASN A 82 1.287 -5.145 -7.675 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.678 -4.381 -9.340 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.657 -5.739 -9.770 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.453 -2.802 -11.633 1.00 0.00 H new ATOM 0 HD22 ASN A 82 3.004 -3.629 -11.456 1.00 0.00 H new ATOM 1391 N LYS A 83 4.358 -6.167 -6.925 1.00 0.00 N ATOM 1392 CA LYS A 83 5.151 -7.255 -6.327 1.00 0.00 C ATOM 1393 C LYS A 83 4.700 -7.545 -4.883 1.00 0.00 C ATOM 1394 O LYS A 83 4.548 -8.709 -4.510 1.00 0.00 O ATOM 1395 CB LYS A 83 6.640 -6.908 -6.352 1.00 0.00 C ATOM 1396 CG LYS A 83 7.257 -6.882 -7.744 1.00 0.00 C ATOM 1397 CD LYS A 83 8.727 -6.496 -7.691 1.00 0.00 C ATOM 1398 CE LYS A 83 9.323 -6.388 -9.087 1.00 0.00 C ATOM 1399 NZ LYS A 83 10.756 -5.988 -9.052 1.00 0.00 N ATOM 0 H LYS A 83 4.877 -5.296 -7.038 1.00 0.00 H new ATOM 0 HA LYS A 83 4.986 -8.153 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.781 -5.932 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.180 -7.633 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.153 -7.863 -8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.715 -6.174 -8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.836 -5.544 -7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.279 -7.238 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.226 -7.346 -9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.757 -5.659 -9.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.123 -5.926 -10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.847 -5.062 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.301 -6.696 -8.520 1.00 0.00 H new ATOM 1413 N VAL A 84 4.445 -6.473 -4.107 1.00 0.00 N ATOM 1414 CA VAL A 84 4.090 -6.572 -2.677 1.00 0.00 C ATOM 1415 C VAL A 84 2.757 -7.329 -2.519 1.00 0.00 C ATOM 1416 O VAL A 84 2.702 -8.352 -1.837 1.00 0.00 O ATOM 1417 CB VAL A 84 3.971 -5.186 -2.016 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.337 -5.305 -0.638 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.338 -4.525 -1.916 1.00 0.00 C ATOM 0 H VAL A 84 4.479 -5.514 -4.454 1.00 0.00 H new ATOM 0 HA VAL A 84 4.892 -7.116 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 84 3.330 -4.562 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.261 -4.316 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.341 -5.739 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.954 -5.946 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.236 -3.547 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.000 -5.148 -1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.759 -4.406 -2.915 1.00 0.00 H new ATOM 1429 N PHE A 85 1.717 -6.845 -3.220 1.00 0.00 N ATOM 1430 CA PHE A 85 0.354 -7.408 -3.175 1.00 0.00 C ATOM 1431 C PHE A 85 0.320 -8.853 -3.712 1.00 0.00 C ATOM 1432 O PHE A 85 -0.404 -9.698 -3.172 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.610 -6.530 -3.973 1.00 0.00 C ATOM 1434 CG PHE A 85 -1.030 -5.280 -3.252 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -1.837 -5.348 -2.126 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.617 -4.033 -3.698 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -2.224 -4.200 -1.462 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -1.003 -2.883 -3.035 1.00 0.00 C ATOM 1439 CZ PHE A 85 -1.807 -2.966 -1.918 1.00 0.00 C ATOM 0 H PHE A 85 1.799 -6.041 -3.842 1.00 0.00 H new ATOM 0 HA PHE A 85 0.040 -7.430 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.139 -6.253 -4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.498 -7.112 -4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.167 -6.310 -1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.013 -3.960 -4.572 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.853 -4.268 -0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.674 -1.918 -3.392 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.110 -2.067 -1.401 1.00 0.00 H new ATOM 1449 N ALA A 86 1.144 -9.129 -4.739 1.00 0.00 N ATOM 1450 CA ALA A 86 1.277 -10.477 -5.341 1.00 0.00 C ATOM 1451 C ALA A 86 1.868 -11.487 -4.336 1.00 0.00 C ATOM 1452 O ALA A 86 1.501 -12.665 -4.328 1.00 0.00 O ATOM 1453 CB ALA A 86 2.150 -10.410 -6.600 1.00 0.00 C ATOM 0 H ALA A 86 1.739 -8.426 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 86 0.280 -10.822 -5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.241 -11.406 -7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.691 -9.739 -7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.140 -10.037 -6.337 1.00 0.00 H new ATOM 1459 N GLU A 87 2.766 -10.986 -3.472 1.00 0.00 N ATOM 1460 CA GLU A 87 3.435 -11.777 -2.416 1.00 0.00 C ATOM 1461 C GLU A 87 2.519 -11.946 -1.183 1.00 0.00 C ATOM 1462 O GLU A 87 2.737 -12.843 -0.367 1.00 0.00 O ATOM 1463 CB GLU A 87 4.754 -11.117 -2.007 1.00 0.00 C ATOM 1464 CG GLU A 87 5.849 -11.193 -3.062 1.00 0.00 C ATOM 1465 CD GLU A 87 7.133 -10.594 -2.559 1.00 0.00 C ATOM 1466 OE1 GLU A 87 7.198 -10.260 -1.401 1.00 0.00 O ATOM 1467 OE2 GLU A 87 8.086 -10.572 -3.304 1.00 0.00 O ATOM 0 H GLU A 87 3.054 -10.008 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 87 3.647 -12.766 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.565 -10.070 -1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.114 -11.589 -1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.015 -12.233 -3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.528 -10.668 -3.961 1.00 0.00 H new ATOM 1474 N LEU A 88 1.465 -11.105 -1.073 1.00 0.00 N ATOM 1475 CA LEU A 88 0.554 -11.108 0.099 1.00 0.00 C ATOM 1476 C LEU A 88 -0.717 -11.932 -0.217 1.00 0.00 C ATOM 1477 O LEU A 88 -1.555 -12.150 0.666 1.00 0.00 O ATOM 1478 CB LEU A 88 0.182 -9.673 0.495 1.00 0.00 C ATOM 1479 CG LEU A 88 1.338 -8.826 1.041 1.00 0.00 C ATOM 1480 CD1 LEU A 88 0.878 -7.391 1.257 1.00 0.00 C ATOM 1481 CD2 LEU A 88 1.843 -9.431 2.342 1.00 0.00 C ATOM 0 H LEU A 88 1.223 -10.414 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 88 1.069 -11.571 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.236 -9.169 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.605 -9.713 1.248 1.00 0.00 H new ATOM 0 HG LEU A 88 2.154 -8.818 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.706 -6.798 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.543 -6.970 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.055 -7.376 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.665 -8.828 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.034 -9.452 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.193 -10.447 2.159 1.00 0.00 H new ATOM 1493 N GLY A 89 -0.846 -12.366 -1.490 1.00 0.00 N ATOM 1494 CA GLY A 89 -1.972 -13.190 -1.947 1.00 0.00 C ATOM 1495 C GLY A 89 -3.123 -12.375 -2.522 1.00 0.00 C ATOM 1496 O GLY A 89 -4.245 -12.881 -2.622 1.00 0.00 O ATOM 0 H GLY A 89 -0.170 -12.152 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.617 -13.889 -2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.340 -13.785 -1.111 1.00 0.00 H new ATOM 1500 N TYR A 90 -2.851 -11.113 -2.901 1.00 0.00 N ATOM 1501 CA TYR A 90 -3.854 -10.231 -3.529 1.00 0.00 C ATOM 1502 C TYR A 90 -3.734 -10.321 -5.056 1.00 0.00 C ATOM 1503 O TYR A 90 -2.621 -10.453 -5.582 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.671 -8.754 -3.080 1.00 0.00 C ATOM 1505 CG TYR A 90 -3.966 -8.482 -1.594 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -5.272 -8.426 -1.101 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -2.928 -8.276 -0.683 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -5.523 -8.185 0.234 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -3.174 -8.040 0.652 1.00 0.00 C ATOM 1510 CZ TYR A 90 -4.471 -7.992 1.101 1.00 0.00 C ATOM 1511 OH TYR A 90 -4.715 -7.775 2.430 1.00 0.00 O ATOM 0 H TYR A 90 -1.936 -10.677 -2.782 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.843 -10.563 -3.212 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.646 -8.450 -3.292 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.322 -8.123 -3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.101 -8.574 -1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.907 -8.302 -1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.539 -8.148 0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.354 -7.894 1.339 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.865 -7.659 2.904 1.00 0.00 H new ATOM 1521 N ASN A 91 -4.876 -10.230 -5.758 1.00 0.00 N ATOM 1522 CA ASN A 91 -4.920 -10.267 -7.232 1.00 0.00 C ATOM 1523 C ASN A 91 -4.471 -8.908 -7.812 1.00 0.00 C ATOM 1524 O ASN A 91 -4.876 -7.853 -7.306 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.302 -10.634 -7.744 1.00 0.00 C ATOM 1526 CG ASN A 91 -6.684 -12.065 -7.487 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -5.823 -12.943 -7.352 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -7.967 -12.318 -7.498 1.00 0.00 N ATOM 0 H ASN A 91 -5.793 -10.129 -5.323 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.231 -11.042 -7.567 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.038 -9.981 -7.275 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.344 -10.443 -8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.299 -13.277 -7.392 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.636 -11.557 -7.613 1.00 0.00 H new ATOM 1535 N ASP A 92 -3.644 -8.967 -8.879 1.00 0.00 N ATOM 1536 CA ASP A 92 -3.085 -7.796 -9.594 1.00 0.00 C ATOM 1537 C ASP A 92 -4.199 -6.939 -10.232 1.00 0.00 C ATOM 1538 O ASP A 92 -4.169 -5.708 -10.165 1.00 0.00 O ATOM 1539 CB ASP A 92 -2.095 -8.248 -10.671 1.00 0.00 C ATOM 1540 CG ASP A 92 -0.770 -8.768 -10.127 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -0.514 -8.580 -8.962 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -0.102 -9.482 -10.835 1.00 0.00 O ATOM 0 H ASP A 92 -3.338 -9.854 -9.278 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.562 -7.183 -8.861 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.560 -9.031 -11.270 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.896 -7.410 -11.340 1.00 0.00 H new ATOM 1547 N SER A 93 -5.189 -7.634 -10.818 1.00 0.00 N ATOM 1548 CA SER A 93 -6.371 -7.023 -11.455 1.00 0.00 C ATOM 1549 C SER A 93 -7.264 -6.225 -10.468 1.00 0.00 C ATOM 1550 O SER A 93 -7.955 -5.298 -10.892 1.00 0.00 O ATOM 1551 CB SER A 93 -7.187 -8.102 -12.136 1.00 0.00 C ATOM 1552 OG SER A 93 -7.743 -9.001 -11.215 1.00 0.00 O ATOM 0 H SER A 93 -5.191 -8.653 -10.864 1.00 0.00 H new ATOM 0 HA SER A 93 -6.002 -6.301 -12.184 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.984 -7.640 -12.718 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.555 -8.646 -12.837 1.00 0.00 H new ATOM 0 HG SER A 93 -8.263 -9.680 -11.694 1.00 0.00 H new ATOM 1558 N ASN A 94 -7.214 -6.567 -9.158 1.00 0.00 N ATOM 1559 CA ASN A 94 -7.936 -5.816 -8.095 1.00 0.00 C ATOM 1560 C ASN A 94 -7.228 -4.499 -7.731 1.00 0.00 C ATOM 1561 O ASN A 94 -7.712 -3.749 -6.872 1.00 0.00 O ATOM 1562 CB ASN A 94 -8.121 -6.661 -6.848 1.00 0.00 C ATOM 1563 CG ASN A 94 -9.125 -7.768 -7.010 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -9.901 -7.794 -7.972 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -9.169 -8.637 -6.033 1.00 0.00 N ATOM 0 H ASN A 94 -6.679 -7.362 -8.808 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.916 -5.571 -8.505 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.160 -7.092 -6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.434 -6.016 -6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.867 -9.380 -6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.505 -8.571 -5.262 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.092 -4.223 -8.393 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.290 -3.020 -8.142 1.00 0.00 C ATOM 1574 C VAL A 95 -5.583 -2.031 -9.293 1.00 0.00 C ATOM 1575 O VAL A 95 -5.414 -2.374 -10.465 1.00 0.00 O ATOM 1576 CB VAL A 95 -3.781 -3.323 -8.067 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -2.994 -2.045 -7.817 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.495 -4.345 -6.978 1.00 0.00 C ATOM 0 H VAL A 95 -5.706 -4.829 -9.117 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.562 -2.600 -7.174 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.466 -3.742 -9.023 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.930 -2.277 -7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.174 -1.342 -8.630 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.313 -1.600 -6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.424 -4.546 -6.940 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.825 -3.953 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.030 -5.269 -7.196 1.00 0.00 H new ATOM 1588 N THR A 96 -6.095 -0.833 -8.956 1.00 0.00 N ATOM 1589 CA THR A 96 -6.372 0.221 -9.952 1.00 0.00 C ATOM 1590 C THR A 96 -5.694 1.522 -9.518 1.00 0.00 C ATOM 1591 O THR A 96 -5.901 1.987 -8.394 1.00 0.00 O ATOM 1592 CB THR A 96 -7.882 0.468 -10.131 1.00 0.00 C ATOM 1593 OG1 THR A 96 -8.518 -0.741 -10.567 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.126 1.562 -11.158 1.00 0.00 C ATOM 0 H THR A 96 -6.326 -0.569 -7.998 1.00 0.00 H new ATOM 0 HA THR A 96 -5.975 -0.116 -10.909 1.00 0.00 H new ATOM 0 HB THR A 96 -8.299 0.783 -9.174 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.479 -0.583 -10.679 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.198 1.722 -11.271 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.654 2.486 -10.824 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.701 1.263 -12.116 1.00 0.00 H new ATOM 1602 N TRP A 97 -4.846 2.083 -10.392 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.173 3.354 -10.110 1.00 0.00 C ATOM 1604 C TRP A 97 -5.100 4.511 -10.516 1.00 0.00 C ATOM 1605 O TRP A 97 -5.686 4.511 -11.601 1.00 0.00 O ATOM 1606 CB TRP A 97 -2.795 3.415 -10.826 1.00 0.00 C ATOM 1607 CG TRP A 97 -1.682 2.815 -9.992 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.251 1.513 -9.976 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -0.884 3.509 -9.016 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.254 1.359 -9.045 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.001 2.574 -8.451 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.830 4.838 -8.570 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.922 2.919 -7.465 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 0.086 5.177 -7.589 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.952 4.220 -7.045 1.00 0.00 C ATOM 0 H TRP A 97 -4.612 1.676 -11.297 1.00 0.00 H new ATOM 0 HA TRP A 97 -3.969 3.442 -9.043 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -2.859 2.885 -11.776 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.554 4.453 -11.056 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -1.639 0.725 -10.604 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.223 0.484 -8.828 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.492 5.584 -8.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.592 2.183 -7.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.134 6.197 -7.237 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.656 4.515 -6.281 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.257 5.463 -9.586 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.958 6.733 -9.804 1.00 0.00 C ATOM 1628 C ASP A 98 -5.010 7.879 -9.426 1.00 0.00 C ATOM 1629 O ASP A 98 -5.026 8.381 -8.294 1.00 0.00 O ATOM 1630 CB ASP A 98 -7.250 6.803 -8.989 1.00 0.00 C ATOM 1631 CG ASP A 98 -8.101 8.037 -9.263 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -7.712 8.831 -10.086 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -9.202 8.096 -8.769 1.00 0.00 O ATOM 0 H ASP A 98 -4.891 5.368 -8.639 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.242 6.816 -10.853 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.845 5.913 -9.196 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.998 6.778 -7.929 1.00 0.00 H new ATOM 1638 N GLY A 99 -4.124 8.223 -10.378 1.00 0.00 N ATOM 1639 CA GLY A 99 -3.130 9.280 -10.201 1.00 0.00 C ATOM 1640 C GLY A 99 -2.089 8.942 -9.136 1.00 0.00 C ATOM 1641 O GLY A 99 -1.414 7.909 -9.216 1.00 0.00 O ATOM 0 H GLY A 99 -4.083 7.771 -11.291 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.626 9.461 -11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.636 10.206 -9.927 1.00 0.00 H new ATOM 1645 N ASP A 100 -2.000 9.817 -8.125 1.00 0.00 N ATOM 1646 CA ASP A 100 -1.014 9.734 -7.039 1.00 0.00 C ATOM 1647 C ASP A 100 -1.394 8.585 -6.074 1.00 0.00 C ATOM 1648 O ASP A 100 -0.563 8.084 -5.312 1.00 0.00 O ATOM 1649 CB ASP A 100 -0.925 11.063 -6.286 1.00 0.00 C ATOM 1650 CG ASP A 100 -2.236 11.522 -5.660 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -3.219 10.836 -5.818 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -2.211 12.461 -4.901 1.00 0.00 O ATOM 0 H ASP A 100 -2.624 10.619 -8.038 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.034 9.525 -7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.174 10.972 -5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.576 11.833 -6.974 1.00 0.00 H new ATOM 1657 N THR A 101 -2.661 8.164 -6.168 1.00 0.00 N ATOM 1658 CA THR A 101 -3.289 7.229 -5.218 1.00 0.00 C ATOM 1659 C THR A 101 -3.740 5.945 -5.948 1.00 0.00 C ATOM 1660 O THR A 101 -4.347 6.027 -7.020 1.00 0.00 O ATOM 1661 CB THR A 101 -4.499 7.864 -4.508 1.00 0.00 C ATOM 1662 OG1 THR A 101 -4.077 9.033 -3.792 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.126 6.877 -3.536 1.00 0.00 C ATOM 0 H THR A 101 -3.289 8.465 -6.913 1.00 0.00 H new ATOM 0 HA THR A 101 -2.541 6.982 -4.465 1.00 0.00 H new ATOM 0 HB THR A 101 -5.240 8.137 -5.260 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.762 9.709 -4.427 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.979 7.343 -3.044 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.459 5.993 -4.080 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.389 6.586 -2.787 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.457 4.766 -5.361 1.00 0.00 N ATOM 1672 CA VAL A 102 -3.920 3.471 -5.893 1.00 0.00 C ATOM 1673 C VAL A 102 -4.978 2.852 -4.948 1.00 0.00 C ATOM 1674 O VAL A 102 -4.813 2.852 -3.728 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.755 2.481 -6.076 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -2.058 2.225 -4.747 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.255 1.174 -6.673 1.00 0.00 C ATOM 0 H VAL A 102 -2.903 4.685 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.364 3.660 -6.870 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.034 2.922 -6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.237 1.523 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.666 3.164 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.771 1.805 -4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.418 0.486 -6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.995 0.730 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.710 1.368 -7.644 1.00 0.00 H new ATOM 1687 N THR A 103 -6.076 2.352 -5.534 1.00 0.00 N ATOM 1688 CA THR A 103 -7.193 1.738 -4.813 1.00 0.00 C ATOM 1689 C THR A 103 -7.216 0.228 -5.126 1.00 0.00 C ATOM 1690 O THR A 103 -7.226 -0.183 -6.290 1.00 0.00 O ATOM 1691 CB THR A 103 -8.545 2.371 -5.194 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.539 3.761 -4.844 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.684 1.673 -4.468 1.00 0.00 C ATOM 0 H THR A 103 -6.212 2.365 -6.545 1.00 0.00 H new ATOM 0 HA THR A 103 -7.046 1.907 -3.746 1.00 0.00 H new ATOM 0 HB THR A 103 -8.692 2.260 -6.268 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.459 3.853 -3.872 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.631 2.133 -4.749 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.698 0.618 -4.742 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.541 1.766 -3.391 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.177 -0.582 -4.068 1.00 0.00 N ATOM 1702 CA VAL A 104 -7.075 -2.046 -4.149 1.00 0.00 C ATOM 1703 C VAL A 104 -8.278 -2.654 -3.428 1.00 0.00 C ATOM 1704 O VAL A 104 -8.619 -2.222 -2.322 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.731 -2.548 -3.493 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.590 -4.094 -3.538 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.524 -1.857 -4.156 1.00 0.00 C ATOM 0 H VAL A 104 -7.216 -0.235 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.070 -2.356 -5.194 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.758 -2.272 -2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.648 -4.387 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.419 -4.551 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.604 -4.431 -4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.603 -2.212 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.510 -2.091 -5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.604 -0.778 -4.023 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.935 -3.628 -4.072 1.00 0.00 N ATOM 1718 CA GLU A 105 -9.967 -4.446 -3.429 1.00 0.00 C ATOM 1719 C GLU A 105 -9.345 -5.770 -2.962 1.00 0.00 C ATOM 1720 O GLU A 105 -8.766 -6.513 -3.770 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.135 -4.705 -4.383 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.989 -3.481 -4.678 1.00 0.00 C ATOM 1723 CD GLU A 105 -13.065 -3.303 -3.644 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.149 -4.116 -2.755 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -13.733 -2.296 -3.678 1.00 0.00 O ATOM 0 H GLU A 105 -8.766 -3.869 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.360 -3.908 -2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.742 -5.093 -5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.770 -5.482 -3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.358 -2.593 -4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.442 -3.581 -5.664 1.00 0.00 H new ATOM 1732 N GLY A 106 -9.455 -6.042 -1.653 1.00 0.00 N ATOM 1733 CA GLY A 106 -8.844 -7.219 -1.041 1.00 0.00 C ATOM 1734 C GLY A 106 -9.854 -8.112 -0.331 1.00 0.00 C ATOM 1735 O GLY A 106 -10.974 -7.672 -0.031 1.00 0.00 O ATOM 0 H GLY A 106 -9.968 -5.453 -0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -8.333 -7.798 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.086 -6.898 -0.327 1.00 0.00 H new ATOM 1739 N GLN A 107 -9.451 -9.374 -0.079 1.00 0.00 N ATOM 1740 CA GLN A 107 -10.279 -10.356 0.637 1.00 0.00 C ATOM 1741 C GLN A 107 -9.554 -10.729 1.937 1.00 0.00 C ATOM 1742 O GLN A 107 -8.319 -10.757 1.989 1.00 0.00 O ATOM 1743 CB GLN A 107 -10.528 -11.605 -0.214 1.00 0.00 C ATOM 1744 CG GLN A 107 -11.313 -11.343 -1.488 1.00 0.00 C ATOM 1745 CD GLN A 107 -11.515 -12.600 -2.312 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -11.097 -13.692 -1.916 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -12.154 -12.454 -3.467 1.00 0.00 N ATOM 0 H GLN A 107 -8.543 -9.737 -0.367 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.254 -9.920 0.855 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.568 -12.049 -0.477 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.065 -12.339 0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.284 -10.920 -1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.789 -10.599 -2.088 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.482 -11.532 -3.755 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.316 -13.264 -4.066 1.00 0.00 H new