USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 646 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 20 ASN : amide:sc= 0 X(o=-0.037,f=-0.056) USER MOD Set 1.2: A 21 ASN : amide:sc= -0.0367 X(o=-0.037,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 152:sc= 0.502 (180deg=0.193) USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 11 ASN : amide:sc= 0.0117 X(o=0.012,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -161:sc= 2.45 (180deg=2.05) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -112:sc= 0.136 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 34 ASN : amide:sc= -2.39! C(o=-2.4!,f=-6.7!) USER MOD Single : A 37 ASN : amide:sc= -0.239 K(o=-0.24,f=-5.1!) USER MOD Single : A 40 HIS : no HD1:sc= 0.619 K(o=0.62,f=-5.2!) USER MOD Single : A 41 THR OG1 : rot -110:sc= -0.115 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.13) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= 0.999 K(o=1,f=-5.6!) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.0428 F(o=-2.2!,f=-0.043) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0026 F(o=-1.7!,f=-0.0026) USER MOD Single : A 70 LYS NZ :NH3+ -149:sc= 1.27 (180deg=1.13) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 100:sc= 0.0208 USER MOD Single : A 76 SER OG : rot 180:sc= 0.00104 USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= 1.09 (180deg=0.787) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 142:sc= -0.922 (180deg=-2.71!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= -1.18 USER MOD Single : A 88 TYR OH : rot 150:sc= -0.258 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.0272 F(o=-1.5!,f=-0.027) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.682 USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 16.200 0.219 -7.474 1.00 0.00 N ATOM 65 CA GLU A 5 15.202 -0.463 -8.280 1.00 0.00 C ATOM 66 C GLU A 5 14.020 -0.896 -7.426 1.00 0.00 C ATOM 67 O GLU A 5 13.950 -0.594 -6.234 1.00 0.00 O ATOM 68 CB GLU A 5 15.824 -1.680 -8.967 1.00 0.00 C ATOM 69 CG GLU A 5 16.955 -1.333 -9.921 1.00 0.00 C ATOM 70 CD GLU A 5 17.578 -2.559 -10.555 1.00 0.00 C ATOM 71 OE1 GLU A 5 17.017 -3.069 -11.552 1.00 0.00 O ATOM 72 OE2 GLU A 5 18.632 -3.015 -10.066 1.00 0.00 O ATOM 0 HA GLU A 5 14.842 0.232 -9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 5 16.200 -2.363 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.047 -2.212 -9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.576 -0.676 -10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.722 -0.777 -9.382 1.00 0.00 H new ATOM 79 N ILE A 6 13.106 -1.617 -8.047 1.00 0.00 N ATOM 80 CA ILE A 6 11.902 -2.073 -7.380 1.00 0.00 C ATOM 81 C ILE A 6 12.202 -3.288 -6.509 1.00 0.00 C ATOM 82 O ILE A 6 12.427 -4.388 -7.016 1.00 0.00 O ATOM 83 CB ILE A 6 10.808 -2.428 -8.409 1.00 0.00 C ATOM 84 CG1 ILE A 6 10.579 -1.250 -9.362 1.00 0.00 C ATOM 85 CG2 ILE A 6 9.512 -2.802 -7.701 1.00 0.00 C ATOM 86 CD1 ILE A 6 9.679 -1.576 -10.531 1.00 0.00 C ATOM 0 H ILE A 6 13.177 -1.902 -9.024 1.00 0.00 H new ATOM 0 HA ILE A 6 11.540 -1.262 -6.748 1.00 0.00 H new ATOM 0 HB ILE A 6 11.140 -3.288 -8.991 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.146 -0.421 -8.802 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.542 -0.909 -9.741 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.751 -3.049 -8.441 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.685 -3.664 -7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.171 -1.961 -7.098 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.565 -0.693 -11.160 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.120 -2.383 -11.116 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.702 -1.887 -10.162 1.00 0.00 H new ATOM 98 N LYS A 7 12.235 -3.078 -5.201 1.00 0.00 N ATOM 99 CA LYS A 7 12.477 -4.162 -4.264 1.00 0.00 C ATOM 100 C LYS A 7 11.148 -4.723 -3.774 1.00 0.00 C ATOM 101 O LYS A 7 10.366 -4.015 -3.136 1.00 0.00 O ATOM 102 CB LYS A 7 13.323 -3.659 -3.089 1.00 0.00 C ATOM 103 CG LYS A 7 14.657 -3.069 -3.526 1.00 0.00 C ATOM 104 CD LYS A 7 15.397 -2.390 -2.381 1.00 0.00 C ATOM 105 CE LYS A 7 15.845 -3.379 -1.316 1.00 0.00 C ATOM 106 NZ LYS A 7 16.721 -2.736 -0.296 1.00 0.00 N ATOM 0 H LYS A 7 12.097 -2.166 -4.766 1.00 0.00 H new ATOM 0 HA LYS A 7 13.027 -4.959 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.760 -2.904 -2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.505 -4.484 -2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.282 -3.860 -3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.487 -2.346 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.267 -1.865 -2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.750 -1.639 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.970 -3.806 -0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.381 -4.203 -1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.625 -3.238 0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.711 -2.778 -0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.439 -1.743 -0.173 1.00 0.00 H new ATOM 120 N GLN A 8 10.878 -5.983 -4.096 1.00 0.00 N ATOM 121 CA GLN A 8 9.607 -6.598 -3.745 1.00 0.00 C ATOM 122 C GLN A 8 9.604 -7.037 -2.286 1.00 0.00 C ATOM 123 O GLN A 8 10.659 -7.253 -1.687 1.00 0.00 O ATOM 124 CB GLN A 8 9.310 -7.800 -4.653 1.00 0.00 C ATOM 125 CG GLN A 8 10.219 -8.996 -4.415 1.00 0.00 C ATOM 126 CD GLN A 8 9.767 -10.234 -5.171 1.00 0.00 C ATOM 127 OE1 GLN A 8 9.202 -10.046 -6.353 1.00 0.00 O flip ATOM 128 NE2 GLN A 8 9.945 -11.358 -4.698 1.00 0.00 N flip ATOM 0 H GLN A 8 11.521 -6.595 -4.598 1.00 0.00 H new ATOM 0 HA GLN A 8 8.826 -5.851 -3.889 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.275 -8.108 -4.503 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.403 -7.488 -5.693 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.235 -8.741 -4.717 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.250 -9.217 -3.348 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.384 -11.463 -3.783 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.653 -12.184 -5.221 1.00 0.00 H new ATOM 137 N GLY A 9 8.418 -7.153 -1.722 1.00 0.00 N ATOM 138 CA GLY A 9 8.284 -7.591 -0.354 1.00 0.00 C ATOM 139 C GLY A 9 6.873 -8.028 -0.040 1.00 0.00 C ATOM 140 O GLY A 9 6.101 -8.343 -0.950 1.00 0.00 O ATOM 0 H GLY A 9 7.536 -6.949 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.970 -8.417 -0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.571 -6.781 0.317 1.00 0.00 H new ATOM 144 N GLU A 10 6.543 -8.024 1.244 1.00 0.00 N ATOM 145 CA GLU A 10 5.232 -8.447 1.740 1.00 0.00 C ATOM 146 C GLU A 10 4.089 -7.625 1.139 1.00 0.00 C ATOM 147 O GLU A 10 3.721 -6.579 1.673 1.00 0.00 O ATOM 148 CB GLU A 10 5.208 -8.332 3.268 1.00 0.00 C ATOM 149 CG GLU A 10 5.821 -7.036 3.772 1.00 0.00 C ATOM 150 CD GLU A 10 5.654 -6.835 5.259 1.00 0.00 C ATOM 151 OE1 GLU A 10 5.443 -7.831 5.983 1.00 0.00 O ATOM 152 OE2 GLU A 10 5.747 -5.677 5.711 1.00 0.00 O ATOM 0 H GLU A 10 7.181 -7.725 1.981 1.00 0.00 H new ATOM 0 HA GLU A 10 5.079 -9.482 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.178 -8.401 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.747 -9.175 3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.883 -7.026 3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.365 -6.198 3.246 1.00 0.00 H new ATOM 159 N ASN A 11 3.550 -8.096 0.013 1.00 0.00 N ATOM 160 CA ASN A 11 2.423 -7.442 -0.658 1.00 0.00 C ATOM 161 C ASN A 11 2.725 -5.988 -0.990 1.00 0.00 C ATOM 162 O ASN A 11 1.808 -5.182 -1.158 1.00 0.00 O ATOM 163 CB ASN A 11 1.157 -7.519 0.203 1.00 0.00 C ATOM 164 CG ASN A 11 0.483 -8.870 0.128 1.00 0.00 C ATOM 165 OD1 ASN A 11 0.785 -9.778 0.907 1.00 0.00 O ATOM 166 ND2 ASN A 11 -0.446 -9.010 -0.804 1.00 0.00 N ATOM 0 H ASN A 11 3.880 -8.938 -0.459 1.00 0.00 H new ATOM 0 HA ASN A 11 2.258 -7.978 -1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.414 -7.303 1.240 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.456 -6.749 -0.119 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.944 -9.895 -0.899 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.664 -8.233 -1.427 1.00 0.00 H new ATOM 173 N LYS A 12 4.003 -5.649 -1.106 1.00 0.00 N ATOM 174 CA LYS A 12 4.377 -4.268 -1.359 1.00 0.00 C ATOM 175 C LYS A 12 5.743 -4.163 -2.011 1.00 0.00 C ATOM 176 O LYS A 12 6.621 -4.994 -1.782 1.00 0.00 O ATOM 177 CB LYS A 12 4.327 -3.445 -0.057 1.00 0.00 C ATOM 178 CG LYS A 12 5.258 -3.917 1.058 1.00 0.00 C ATOM 179 CD LYS A 12 6.619 -3.239 0.991 1.00 0.00 C ATOM 180 CE LYS A 12 7.513 -3.656 2.150 1.00 0.00 C ATOM 181 NZ LYS A 12 6.996 -3.193 3.466 1.00 0.00 N ATOM 0 H LYS A 12 4.784 -6.300 -1.030 1.00 0.00 H new ATOM 0 HA LYS A 12 3.651 -3.855 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.569 -2.409 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.304 -3.456 0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.798 -3.712 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.387 -4.997 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.105 -3.490 0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.488 -2.157 1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.604 -4.742 2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.514 -3.254 1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.765 -3.209 4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.631 -2.223 3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.230 -3.823 3.779 1.00 0.00 H new ATOM 195 N PHE A 13 5.901 -3.148 -2.841 1.00 0.00 N ATOM 196 CA PHE A 13 7.185 -2.835 -3.441 1.00 0.00 C ATOM 197 C PHE A 13 7.755 -1.611 -2.753 1.00 0.00 C ATOM 198 O PHE A 13 7.035 -0.638 -2.531 1.00 0.00 O ATOM 199 CB PHE A 13 7.036 -2.571 -4.942 1.00 0.00 C ATOM 200 CG PHE A 13 6.433 -3.718 -5.700 1.00 0.00 C ATOM 201 CD1 PHE A 13 7.147 -4.890 -5.896 1.00 0.00 C ATOM 202 CD2 PHE A 13 5.151 -3.624 -6.220 1.00 0.00 C ATOM 203 CE1 PHE A 13 6.595 -5.945 -6.596 1.00 0.00 C ATOM 204 CE2 PHE A 13 4.595 -4.677 -6.922 1.00 0.00 C ATOM 205 CZ PHE A 13 5.318 -5.840 -7.109 1.00 0.00 C ATOM 0 H PHE A 13 5.146 -2.520 -3.117 1.00 0.00 H new ATOM 0 HA PHE A 13 7.858 -3.684 -3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.416 -1.686 -5.086 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.017 -2.346 -5.361 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.147 -4.979 -5.497 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.581 -2.718 -6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.163 -6.852 -6.742 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.596 -4.591 -7.324 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.885 -6.665 -7.655 1.00 0.00 H new ATOM 215 N TYR A 14 9.026 -1.653 -2.393 1.00 0.00 N ATOM 216 CA TYR A 14 9.618 -0.550 -1.658 1.00 0.00 C ATOM 217 C TYR A 14 10.979 -0.166 -2.219 1.00 0.00 C ATOM 218 O TYR A 14 11.695 -0.992 -2.788 1.00 0.00 O ATOM 219 CB TYR A 14 9.736 -0.895 -0.166 1.00 0.00 C ATOM 220 CG TYR A 14 10.650 -2.065 0.145 1.00 0.00 C ATOM 221 CD1 TYR A 14 10.228 -3.375 -0.049 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.932 -1.856 0.639 1.00 0.00 C ATOM 223 CE1 TYR A 14 11.056 -4.442 0.243 1.00 0.00 C ATOM 224 CE2 TYR A 14 12.764 -2.919 0.937 1.00 0.00 C ATOM 225 CZ TYR A 14 12.322 -4.209 0.734 1.00 0.00 C ATOM 226 OH TYR A 14 13.146 -5.269 1.032 1.00 0.00 O ATOM 0 H TYR A 14 9.660 -2.427 -2.594 1.00 0.00 H new ATOM 0 HA TYR A 14 8.957 0.309 -1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.098 -0.017 0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.741 -1.116 0.221 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.237 -3.562 -0.434 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.284 -0.847 0.793 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.712 -5.454 0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.755 -2.740 1.327 1.00 0.00 H new ATOM 0 HH TYR A 14 14.004 -4.933 1.367 1.00 0.00 H new ATOM 236 N ILE A 15 11.314 1.102 -2.067 1.00 0.00 N ATOM 237 CA ILE A 15 12.618 1.608 -2.435 1.00 0.00 C ATOM 238 C ILE A 15 13.258 2.263 -1.219 1.00 0.00 C ATOM 239 O ILE A 15 12.727 3.236 -0.668 1.00 0.00 O ATOM 240 CB ILE A 15 12.536 2.631 -3.592 1.00 0.00 C ATOM 241 CG1 ILE A 15 11.877 2.000 -4.826 1.00 0.00 C ATOM 242 CG2 ILE A 15 13.922 3.161 -3.938 1.00 0.00 C ATOM 243 CD1 ILE A 15 11.704 2.960 -5.986 1.00 0.00 C ATOM 0 H ILE A 15 10.687 1.809 -1.684 1.00 0.00 H new ATOM 0 HA ILE A 15 13.222 0.769 -2.780 1.00 0.00 H new ATOM 0 HB ILE A 15 11.920 3.469 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.479 1.153 -5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.901 1.607 -4.544 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.844 3.879 -4.754 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.353 3.650 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.562 2.333 -4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.232 2.441 -6.820 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.076 3.796 -5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.679 3.335 -6.297 1.00 0.00 H new ATOM 255 N GLY A 16 14.371 1.702 -0.778 1.00 0.00 N ATOM 256 CA GLY A 16 15.068 2.239 0.367 1.00 0.00 C ATOM 257 C GLY A 16 16.195 1.338 0.824 1.00 0.00 C ATOM 258 O GLY A 16 16.286 0.181 0.398 1.00 0.00 O ATOM 0 H GLY A 16 14.806 0.879 -1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.469 3.222 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.363 2.380 1.186 1.00 0.00 H new ATOM 262 N ASP A 17 17.054 1.874 1.682 1.00 0.00 N ATOM 263 CA ASP A 17 18.192 1.130 2.222 1.00 0.00 C ATOM 264 C ASP A 17 17.702 -0.020 3.097 1.00 0.00 C ATOM 265 O ASP A 17 18.288 -1.103 3.118 1.00 0.00 O ATOM 266 CB ASP A 17 19.080 2.075 3.040 1.00 0.00 C ATOM 267 CG ASP A 17 20.358 1.420 3.524 1.00 0.00 C ATOM 268 OD1 ASP A 17 21.358 1.432 2.774 1.00 0.00 O ATOM 269 OD2 ASP A 17 20.379 0.909 4.663 1.00 0.00 O ATOM 0 H ASP A 17 16.985 2.833 2.024 1.00 0.00 H new ATOM 0 HA ASP A 17 18.773 0.715 1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 17 19.332 2.944 2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.517 2.439 3.900 1.00 0.00 H new ATOM 274 N ASP A 18 16.606 0.232 3.793 1.00 0.00 N ATOM 275 CA ASP A 18 15.986 -0.744 4.682 1.00 0.00 C ATOM 276 C ASP A 18 14.537 -0.330 4.897 1.00 0.00 C ATOM 277 O ASP A 18 14.172 0.775 4.516 1.00 0.00 O ATOM 278 CB ASP A 18 16.748 -0.798 6.017 1.00 0.00 C ATOM 279 CG ASP A 18 16.139 -1.762 7.012 1.00 0.00 C ATOM 280 OD1 ASP A 18 16.393 -2.975 6.909 1.00 0.00 O ATOM 281 OD2 ASP A 18 15.384 -1.307 7.893 1.00 0.00 O ATOM 0 H ASP A 18 16.116 1.126 3.759 1.00 0.00 H new ATOM 0 HA ASP A 18 16.021 -1.741 4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 18 17.782 -1.087 5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.772 0.200 6.455 1.00 0.00 H new ATOM 286 N GLU A 19 13.708 -1.190 5.481 1.00 0.00 N ATOM 287 CA GLU A 19 12.313 -0.831 5.735 1.00 0.00 C ATOM 288 C GLU A 19 12.201 0.199 6.859 1.00 0.00 C ATOM 289 O GLU A 19 11.209 0.917 6.955 1.00 0.00 O ATOM 290 CB GLU A 19 11.465 -2.063 6.055 1.00 0.00 C ATOM 291 CG GLU A 19 11.199 -2.937 4.842 1.00 0.00 C ATOM 292 CD GLU A 19 10.224 -4.062 5.123 1.00 0.00 C ATOM 293 OE1 GLU A 19 8.999 -3.813 5.099 1.00 0.00 O ATOM 294 OE2 GLU A 19 10.678 -5.205 5.350 1.00 0.00 O ATOM 0 H GLU A 19 13.971 -2.128 5.784 1.00 0.00 H new ATOM 0 HA GLU A 19 11.926 -0.383 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.970 -2.655 6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.514 -1.741 6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.808 -2.318 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.141 -3.359 4.492 1.00 0.00 H new ATOM 301 N ASN A 20 13.215 0.267 7.713 1.00 0.00 N ATOM 302 CA ASN A 20 13.284 1.316 8.727 1.00 0.00 C ATOM 303 C ASN A 20 13.568 2.656 8.054 1.00 0.00 C ATOM 304 O ASN A 20 13.113 3.707 8.505 1.00 0.00 O ATOM 305 CB ASN A 20 14.373 0.996 9.758 1.00 0.00 C ATOM 306 CG ASN A 20 14.568 2.107 10.775 1.00 0.00 C ATOM 307 OD1 ASN A 20 15.388 3.004 10.579 1.00 0.00 O ATOM 308 ND2 ASN A 20 13.833 2.045 11.875 1.00 0.00 N ATOM 0 H ASN A 20 13.998 -0.387 7.725 1.00 0.00 H new ATOM 0 HA ASN A 20 12.328 1.371 9.248 1.00 0.00 H new ATOM 0 HB2 ASN A 20 14.113 0.075 10.279 1.00 0.00 H new ATOM 0 HB3 ASN A 20 15.315 0.815 9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.936 2.757 12.598 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.164 1.285 11.999 1.00 0.00 H new ATOM 315 N ASN A 21 14.302 2.591 6.951 1.00 0.00 N ATOM 316 CA ASN A 21 14.648 3.774 6.172 1.00 0.00 C ATOM 317 C ASN A 21 13.900 3.753 4.847 1.00 0.00 C ATOM 318 O ASN A 21 14.398 4.243 3.833 1.00 0.00 O ATOM 319 CB ASN A 21 16.158 3.828 5.908 1.00 0.00 C ATOM 320 CG ASN A 21 16.980 4.037 7.164 1.00 0.00 C ATOM 321 OD1 ASN A 21 17.209 5.166 7.589 1.00 0.00 O ATOM 322 ND2 ASN A 21 17.441 2.949 7.762 1.00 0.00 N ATOM 0 H ASN A 21 14.674 1.720 6.572 1.00 0.00 H new ATOM 0 HA ASN A 21 14.362 4.658 6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 21 16.469 2.900 5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 21 16.368 4.635 5.206 1.00 0.00 H new ATOM 0 HD21 ASN A 21 18.008 3.032 8.606 1.00 0.00 H new ATOM 0 HD22 ASN A 21 17.229 2.028 7.379 1.00 0.00 H new ATOM 329 N ALA A 22 12.709 3.168 4.863 1.00 0.00 N ATOM 330 CA ALA A 22 11.904 3.039 3.659 1.00 0.00 C ATOM 331 C ALA A 22 11.435 4.400 3.180 1.00 0.00 C ATOM 332 O ALA A 22 10.563 5.018 3.791 1.00 0.00 O ATOM 333 CB ALA A 22 10.715 2.119 3.901 1.00 0.00 C ATOM 0 H ALA A 22 12.280 2.775 5.700 1.00 0.00 H new ATOM 0 HA ALA A 22 12.526 2.597 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.127 2.037 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.073 1.131 4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.094 2.529 4.697 1.00 0.00 H new ATOM 339 N LEU A 23 12.032 4.871 2.096 1.00 0.00 N ATOM 340 CA LEU A 23 11.683 6.164 1.535 1.00 0.00 C ATOM 341 C LEU A 23 10.317 6.102 0.874 1.00 0.00 C ATOM 342 O LEU A 23 9.533 7.050 0.947 1.00 0.00 O ATOM 343 CB LEU A 23 12.740 6.612 0.525 1.00 0.00 C ATOM 344 CG LEU A 23 14.140 6.824 1.106 1.00 0.00 C ATOM 345 CD1 LEU A 23 15.110 7.249 0.015 1.00 0.00 C ATOM 346 CD2 LEU A 23 14.102 7.860 2.221 1.00 0.00 C ATOM 0 H LEU A 23 12.763 4.374 1.587 1.00 0.00 H new ATOM 0 HA LEU A 23 11.646 6.893 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.801 5.867 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.409 7.543 0.064 1.00 0.00 H new ATOM 0 HG LEU A 23 14.487 5.880 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.101 7.395 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.158 6.475 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.768 8.182 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.106 7.999 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.736 8.807 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.438 7.517 3.014 1.00 0.00 H new ATOM 358 N ALA A 24 10.030 4.975 0.238 1.00 0.00 N ATOM 359 CA ALA A 24 8.758 4.794 -0.436 1.00 0.00 C ATOM 360 C ALA A 24 8.403 3.316 -0.563 1.00 0.00 C ATOM 361 O ALA A 24 9.215 2.517 -1.019 1.00 0.00 O ATOM 362 CB ALA A 24 8.813 5.445 -1.807 1.00 0.00 C ATOM 0 H ALA A 24 10.661 4.176 0.176 1.00 0.00 H new ATOM 0 HA ALA A 24 7.980 5.270 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.857 5.309 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.016 6.510 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.605 4.984 -2.397 1.00 0.00 H new ATOM 368 N GLU A 25 7.195 2.962 -0.143 1.00 0.00 N ATOM 369 CA GLU A 25 6.673 1.615 -0.350 1.00 0.00 C ATOM 370 C GLU A 25 5.204 1.677 -0.760 1.00 0.00 C ATOM 371 O GLU A 25 4.451 2.524 -0.280 1.00 0.00 O ATOM 372 CB GLU A 25 6.827 0.748 0.908 1.00 0.00 C ATOM 373 CG GLU A 25 6.057 1.247 2.123 1.00 0.00 C ATOM 374 CD GLU A 25 5.733 0.132 3.099 1.00 0.00 C ATOM 375 OE1 GLU A 25 6.671 -0.553 3.567 1.00 0.00 O ATOM 376 OE2 GLU A 25 4.534 -0.085 3.378 1.00 0.00 O ATOM 0 H GLU A 25 6.556 3.590 0.344 1.00 0.00 H new ATOM 0 HA GLU A 25 7.255 1.155 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.498 -0.265 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.885 0.689 1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.643 2.013 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.131 1.719 1.794 1.00 0.00 H new ATOM 383 N ILE A 26 4.801 0.790 -1.651 1.00 0.00 N ATOM 384 CA ILE A 26 3.423 0.754 -2.107 1.00 0.00 C ATOM 385 C ILE A 26 2.804 -0.624 -1.859 1.00 0.00 C ATOM 386 O ILE A 26 3.224 -1.626 -2.440 1.00 0.00 O ATOM 387 CB ILE A 26 3.313 1.151 -3.601 1.00 0.00 C ATOM 388 CG1 ILE A 26 1.853 1.120 -4.061 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.176 0.251 -4.479 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.648 1.655 -5.462 1.00 0.00 C ATOM 0 H ILE A 26 5.407 0.086 -2.073 1.00 0.00 H new ATOM 0 HA ILE A 26 2.862 1.488 -1.529 1.00 0.00 H new ATOM 0 HB ILE A 26 3.685 2.170 -3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.488 0.094 -4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.249 1.704 -3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.077 0.556 -5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.219 0.337 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.850 -0.784 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.590 1.602 -5.720 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.982 2.692 -5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.224 1.057 -6.168 1.00 0.00 H new ATOM 402 N THR A 27 1.829 -0.667 -0.960 1.00 0.00 N ATOM 403 CA THR A 27 1.153 -1.911 -0.612 1.00 0.00 C ATOM 404 C THR A 27 -0.044 -2.159 -1.519 1.00 0.00 C ATOM 405 O THR A 27 -0.777 -1.227 -1.849 1.00 0.00 O ATOM 406 CB THR A 27 0.655 -1.881 0.845 1.00 0.00 C ATOM 407 OG1 THR A 27 -0.112 -0.688 1.066 1.00 0.00 O ATOM 408 CG2 THR A 27 1.813 -1.937 1.827 1.00 0.00 C ATOM 0 H THR A 27 1.487 0.151 -0.456 1.00 0.00 H new ATOM 0 HA THR A 27 1.882 -2.712 -0.738 1.00 0.00 H new ATOM 0 HB THR A 27 0.030 -2.759 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.371 -0.098 1.681 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.427 -1.914 2.846 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.377 -2.857 1.673 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.467 -1.080 1.667 1.00 0.00 H new ATOM 416 N TYR A 28 -0.248 -3.408 -1.907 1.00 0.00 N ATOM 417 CA TYR A 28 -1.417 -3.777 -2.688 1.00 0.00 C ATOM 418 C TYR A 28 -2.045 -5.054 -2.135 1.00 0.00 C ATOM 419 O TYR A 28 -1.361 -6.056 -1.905 1.00 0.00 O ATOM 420 CB TYR A 28 -1.071 -3.930 -4.178 1.00 0.00 C ATOM 421 CG TYR A 28 -0.085 -5.036 -4.498 1.00 0.00 C ATOM 422 CD1 TYR A 28 1.283 -4.835 -4.369 1.00 0.00 C ATOM 423 CD2 TYR A 28 -0.528 -6.276 -4.942 1.00 0.00 C ATOM 424 CE1 TYR A 28 2.181 -5.840 -4.671 1.00 0.00 C ATOM 425 CE2 TYR A 28 0.363 -7.285 -5.246 1.00 0.00 C ATOM 426 CZ TYR A 28 1.717 -7.064 -5.110 1.00 0.00 C ATOM 427 OH TYR A 28 2.605 -8.069 -5.415 1.00 0.00 O ATOM 0 H TYR A 28 0.381 -4.183 -1.694 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.147 -2.972 -2.606 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.992 -4.113 -4.732 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.664 -2.986 -4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.650 -3.879 -4.027 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.588 -6.453 -5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.242 -5.669 -4.564 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.001 -8.243 -5.589 1.00 0.00 H new ATOM 0 HH TYR A 28 2.112 -8.864 -5.707 1.00 0.00 H new ATOM 437 N ARG A 29 -3.344 -5.001 -1.891 1.00 0.00 N ATOM 438 CA ARG A 29 -4.065 -6.134 -1.342 1.00 0.00 C ATOM 439 C ARG A 29 -5.121 -6.602 -2.329 1.00 0.00 C ATOM 440 O ARG A 29 -5.438 -5.901 -3.287 1.00 0.00 O ATOM 441 CB ARG A 29 -4.739 -5.748 -0.027 1.00 0.00 C ATOM 442 CG ARG A 29 -4.696 -6.839 1.027 1.00 0.00 C ATOM 443 CD ARG A 29 -3.298 -6.985 1.603 1.00 0.00 C ATOM 444 NE ARG A 29 -2.796 -5.705 2.089 1.00 0.00 N ATOM 445 CZ ARG A 29 -2.005 -5.558 3.141 1.00 0.00 C ATOM 446 NH1 ARG A 29 -1.560 -6.614 3.812 1.00 0.00 N ATOM 447 NH2 ARG A 29 -1.638 -4.336 3.500 1.00 0.00 N ATOM 0 H ARG A 29 -3.922 -4.179 -2.066 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.355 -6.940 -1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.257 -4.854 0.369 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.779 -5.488 -0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.400 -6.606 1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.013 -7.785 0.589 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.311 -7.708 2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.626 -7.377 0.840 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.074 -4.864 1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.827 -7.554 3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.951 -6.485 4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.964 -3.529 2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.029 -4.203 4.307 1.00 0.00 H new ATOM 461 N PHE A 30 -5.667 -7.781 -2.093 1.00 0.00 N ATOM 462 CA PHE A 30 -6.710 -8.323 -2.946 1.00 0.00 C ATOM 463 C PHE A 30 -8.072 -8.133 -2.289 1.00 0.00 C ATOM 464 O PHE A 30 -8.398 -8.819 -1.319 1.00 0.00 O ATOM 465 CB PHE A 30 -6.467 -9.812 -3.215 1.00 0.00 C ATOM 466 CG PHE A 30 -5.156 -10.103 -3.896 1.00 0.00 C ATOM 467 CD1 PHE A 30 -3.992 -10.277 -3.158 1.00 0.00 C ATOM 468 CD2 PHE A 30 -5.087 -10.202 -5.277 1.00 0.00 C ATOM 469 CE1 PHE A 30 -2.790 -10.544 -3.785 1.00 0.00 C ATOM 470 CE2 PHE A 30 -3.889 -10.471 -5.908 1.00 0.00 C ATOM 471 CZ PHE A 30 -2.738 -10.641 -5.162 1.00 0.00 C ATOM 0 H PHE A 30 -5.404 -8.384 -1.314 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.691 -7.789 -3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.502 -10.352 -2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.279 -10.197 -3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.027 -10.203 -2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.982 -10.067 -5.867 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.892 -10.677 -3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.851 -10.549 -6.985 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.800 -10.849 -5.655 1.00 0.00 H new ATOM 481 N VAL A 31 -8.858 -7.192 -2.797 1.00 0.00 N ATOM 482 CA VAL A 31 -10.203 -6.969 -2.274 1.00 0.00 C ATOM 483 C VAL A 31 -11.145 -8.068 -2.744 1.00 0.00 C ATOM 484 O VAL A 31 -12.140 -8.373 -2.088 1.00 0.00 O ATOM 485 CB VAL A 31 -10.780 -5.592 -2.678 1.00 0.00 C ATOM 486 CG1 VAL A 31 -10.054 -4.470 -1.955 1.00 0.00 C ATOM 487 CG2 VAL A 31 -10.706 -5.387 -4.183 1.00 0.00 C ATOM 0 H VAL A 31 -8.592 -6.575 -3.564 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.120 -6.987 -1.187 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.829 -5.572 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.476 -3.511 -2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.169 -4.597 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.995 -4.496 -2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.119 -4.411 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.666 -5.437 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.280 -6.166 -4.685 1.00 0.00 H new ATOM 497 N ASP A 32 -10.820 -8.661 -3.884 1.00 0.00 N ATOM 498 CA ASP A 32 -11.595 -9.770 -4.417 1.00 0.00 C ATOM 499 C ASP A 32 -10.656 -10.852 -4.930 1.00 0.00 C ATOM 500 O ASP A 32 -10.460 -11.874 -4.278 1.00 0.00 O ATOM 501 CB ASP A 32 -12.523 -9.290 -5.538 1.00 0.00 C ATOM 502 CG ASP A 32 -13.472 -10.376 -6.014 1.00 0.00 C ATOM 503 OD1 ASP A 32 -13.068 -11.192 -6.868 1.00 0.00 O ATOM 504 OD2 ASP A 32 -14.631 -10.413 -5.545 1.00 0.00 O ATOM 0 H ASP A 32 -10.022 -8.391 -4.459 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.213 -10.184 -3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.101 -8.436 -5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.922 -8.943 -6.379 1.00 0.00 H new ATOM 509 N ASN A 33 -10.056 -10.606 -6.092 1.00 0.00 N ATOM 510 CA ASN A 33 -9.074 -11.524 -6.661 1.00 0.00 C ATOM 511 C ASN A 33 -8.293 -10.839 -7.781 1.00 0.00 C ATOM 512 O ASN A 33 -7.074 -10.717 -7.714 1.00 0.00 O ATOM 513 CB ASN A 33 -9.756 -12.788 -7.188 1.00 0.00 C ATOM 514 CG ASN A 33 -8.762 -13.804 -7.720 1.00 0.00 C ATOM 515 OD1 ASN A 33 -8.457 -13.826 -8.912 1.00 0.00 O ATOM 516 ND2 ASN A 33 -8.246 -14.641 -6.834 1.00 0.00 N ATOM 0 H ASN A 33 -10.233 -9.777 -6.659 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.378 -11.812 -5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.342 -13.241 -6.388 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.454 -12.517 -7.980 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.566 -15.341 -7.130 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.529 -14.586 -5.855 1.00 0.00 H new ATOM 523 N ASN A 34 -9.010 -10.373 -8.797 1.00 0.00 N ATOM 524 CA ASN A 34 -8.391 -9.678 -9.924 1.00 0.00 C ATOM 525 C ASN A 34 -8.318 -8.181 -9.630 1.00 0.00 C ATOM 526 O ASN A 34 -7.727 -7.399 -10.375 1.00 0.00 O ATOM 527 CB ASN A 34 -9.204 -9.929 -11.200 1.00 0.00 C ATOM 528 CG ASN A 34 -8.545 -9.365 -12.448 1.00 0.00 C ATOM 529 OD1 ASN A 34 -7.323 -9.331 -12.555 1.00 0.00 O ATOM 530 ND2 ASN A 34 -9.352 -8.914 -13.395 1.00 0.00 N ATOM 0 H ASN A 34 -10.024 -10.463 -8.865 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.380 -10.059 -10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.349 -11.002 -11.326 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.193 -9.485 -11.087 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.963 -8.520 -14.252 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.363 -8.960 -13.268 1.00 0.00 H new ATOM 537 N GLU A 35 -8.928 -7.795 -8.525 1.00 0.00 N ATOM 538 CA GLU A 35 -8.976 -6.404 -8.123 1.00 0.00 C ATOM 539 C GLU A 35 -8.053 -6.181 -6.933 1.00 0.00 C ATOM 540 O GLU A 35 -8.272 -6.746 -5.854 1.00 0.00 O ATOM 541 CB GLU A 35 -10.414 -6.024 -7.766 1.00 0.00 C ATOM 542 CG GLU A 35 -11.431 -6.546 -8.770 1.00 0.00 C ATOM 543 CD GLU A 35 -12.844 -6.075 -8.496 1.00 0.00 C ATOM 544 OE1 GLU A 35 -13.123 -5.616 -7.368 1.00 0.00 O ATOM 545 OE2 GLU A 35 -13.687 -6.167 -9.413 1.00 0.00 O ATOM 0 H GLU A 35 -9.401 -8.433 -7.885 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.640 -5.773 -8.946 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.653 -6.416 -6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.494 -4.939 -7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.138 -6.229 -9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.411 -7.636 -8.762 1.00 0.00 H new ATOM 552 N ILE A 36 -7.015 -5.382 -7.134 1.00 0.00 N ATOM 553 CA ILE A 36 -6.049 -5.112 -6.082 1.00 0.00 C ATOM 554 C ILE A 36 -6.126 -3.656 -5.635 1.00 0.00 C ATOM 555 O ILE A 36 -6.217 -2.742 -6.455 1.00 0.00 O ATOM 556 CB ILE A 36 -4.601 -5.454 -6.516 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.214 -4.697 -7.793 1.00 0.00 C ATOM 558 CG2 ILE A 36 -4.446 -6.957 -6.720 1.00 0.00 C ATOM 559 CD1 ILE A 36 -2.779 -4.920 -8.221 1.00 0.00 C ATOM 0 H ILE A 36 -6.821 -4.910 -8.017 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.308 -5.759 -5.244 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.927 -5.139 -5.719 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.877 -5.004 -8.602 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.375 -3.631 -7.636 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.423 -7.179 -7.024 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.668 -7.476 -5.787 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.136 -7.292 -7.494 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.578 -4.354 -9.130 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.107 -4.586 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.617 -5.981 -8.411 1.00 0.00 H new ATOM 571 N ASN A 37 -6.107 -3.447 -4.330 1.00 0.00 N ATOM 572 CA ASN A 37 -6.204 -2.107 -3.779 1.00 0.00 C ATOM 573 C ASN A 37 -4.873 -1.685 -3.179 1.00 0.00 C ATOM 574 O ASN A 37 -4.189 -2.480 -2.541 1.00 0.00 O ATOM 575 CB ASN A 37 -7.308 -2.028 -2.711 1.00 0.00 C ATOM 576 CG ASN A 37 -6.898 -2.626 -1.372 1.00 0.00 C ATOM 577 OD1 ASN A 37 -7.037 -3.827 -1.144 1.00 0.00 O ATOM 578 ND2 ASN A 37 -6.411 -1.785 -0.467 1.00 0.00 N ATOM 0 H ASN A 37 -6.025 -4.187 -3.633 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.461 -1.427 -4.591 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.587 -0.985 -2.564 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.194 -2.547 -3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.138 -2.129 0.454 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.310 -0.795 -0.693 1.00 0.00 H new ATOM 585 N ILE A 38 -4.493 -0.441 -3.408 1.00 0.00 N ATOM 586 CA ILE A 38 -3.329 0.118 -2.751 1.00 0.00 C ATOM 587 C ILE A 38 -3.743 0.657 -1.388 1.00 0.00 C ATOM 588 O ILE A 38 -4.368 1.714 -1.298 1.00 0.00 O ATOM 589 CB ILE A 38 -2.657 1.242 -3.584 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.005 0.679 -4.853 1.00 0.00 C ATOM 591 CG2 ILE A 38 -1.614 1.980 -2.755 1.00 0.00 C ATOM 592 CD1 ILE A 38 -2.980 0.301 -5.946 1.00 0.00 C ATOM 0 H ILE A 38 -4.972 0.198 -4.042 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.591 -0.677 -2.642 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.439 1.943 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.307 1.418 -5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.420 -0.201 -4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.156 2.763 -3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.092 2.427 -1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.846 1.279 -2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.432 -0.087 -6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.663 -0.463 -5.576 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.549 1.181 -6.247 1.00 0.00 H new ATOM 604 N ASP A 39 -3.436 -0.101 -0.339 1.00 0.00 N ATOM 605 CA ASP A 39 -3.813 0.275 1.022 1.00 0.00 C ATOM 606 C ASP A 39 -3.216 1.624 1.383 1.00 0.00 C ATOM 607 O ASP A 39 -3.926 2.619 1.534 1.00 0.00 O ATOM 608 CB ASP A 39 -3.343 -0.772 2.038 1.00 0.00 C ATOM 609 CG ASP A 39 -3.908 -2.151 1.776 1.00 0.00 C ATOM 610 OD1 ASP A 39 -5.134 -2.334 1.912 1.00 0.00 O ATOM 611 OD2 ASP A 39 -3.117 -3.062 1.452 1.00 0.00 O ATOM 0 H ASP A 39 -2.926 -0.982 -0.405 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.901 0.334 1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.254 -0.823 2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.631 -0.452 3.039 1.00 0.00 H new ATOM 616 N HIS A 40 -1.901 1.650 1.509 1.00 0.00 N ATOM 617 CA HIS A 40 -1.193 2.883 1.795 1.00 0.00 C ATOM 618 C HIS A 40 -0.006 3.032 0.860 1.00 0.00 C ATOM 619 O HIS A 40 0.571 2.040 0.409 1.00 0.00 O ATOM 620 CB HIS A 40 -0.730 2.937 3.265 1.00 0.00 C ATOM 621 CG HIS A 40 0.302 1.911 3.646 1.00 0.00 C ATOM 622 ND1 HIS A 40 0.010 0.784 4.383 1.00 0.00 N ATOM 623 CD2 HIS A 40 1.638 1.863 3.407 1.00 0.00 C ATOM 624 CE1 HIS A 40 1.117 0.090 4.582 1.00 0.00 C ATOM 625 NE2 HIS A 40 2.118 0.723 4.000 1.00 0.00 N ATOM 0 H HIS A 40 -1.302 0.829 1.417 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.880 3.713 1.633 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.325 3.929 3.466 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.600 2.811 3.909 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.216 2.588 2.853 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.190 -0.839 5.129 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.090 0.415 3.992 1.00 0.00 H new ATOM 634 N THR A 41 0.336 4.264 0.553 1.00 0.00 N ATOM 635 CA THR A 41 1.523 4.551 -0.220 1.00 0.00 C ATOM 636 C THR A 41 2.520 5.288 0.662 1.00 0.00 C ATOM 637 O THR A 41 2.452 6.508 0.816 1.00 0.00 O ATOM 638 CB THR A 41 1.182 5.389 -1.468 1.00 0.00 C ATOM 639 OG1 THR A 41 0.058 4.810 -2.138 1.00 0.00 O ATOM 640 CG2 THR A 41 2.362 5.451 -2.426 1.00 0.00 C ATOM 0 H THR A 41 -0.196 5.089 0.830 1.00 0.00 H new ATOM 0 HA THR A 41 1.960 3.614 -0.564 1.00 0.00 H new ATOM 0 HB THR A 41 0.946 6.403 -1.146 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.350 4.416 -2.987 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.093 6.048 -3.297 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.215 5.906 -1.923 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.625 4.442 -2.745 1.00 0.00 H new ATOM 648 N GLY A 42 3.428 4.530 1.262 1.00 0.00 N ATOM 649 CA GLY A 42 4.327 5.080 2.255 1.00 0.00 C ATOM 650 C GLY A 42 5.501 5.806 1.642 1.00 0.00 C ATOM 651 O GLY A 42 6.648 5.395 1.807 1.00 0.00 O ATOM 0 H GLY A 42 3.558 3.536 1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.776 5.767 2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.695 4.275 2.891 1.00 0.00 H new ATOM 655 N VAL A 43 5.212 6.873 0.919 1.00 0.00 N ATOM 656 CA VAL A 43 6.246 7.713 0.344 1.00 0.00 C ATOM 657 C VAL A 43 6.507 8.898 1.258 1.00 0.00 C ATOM 658 O VAL A 43 5.599 9.687 1.536 1.00 0.00 O ATOM 659 CB VAL A 43 5.851 8.230 -1.058 1.00 0.00 C ATOM 660 CG1 VAL A 43 6.936 9.133 -1.627 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.582 7.071 -2.003 1.00 0.00 C ATOM 0 H VAL A 43 4.261 7.180 0.715 1.00 0.00 H new ATOM 0 HA VAL A 43 7.146 7.107 0.241 1.00 0.00 H new ATOM 0 HB VAL A 43 4.936 8.813 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.636 9.485 -2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.082 9.987 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.868 8.574 -1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.306 7.458 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.480 6.460 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.767 6.463 -1.610 1.00 0.00 H new ATOM 671 N SER A 44 7.732 9.007 1.742 1.00 0.00 N ATOM 672 CA SER A 44 8.102 10.109 2.608 1.00 0.00 C ATOM 673 C SER A 44 8.146 11.407 1.811 1.00 0.00 C ATOM 674 O SER A 44 8.450 11.407 0.614 1.00 0.00 O ATOM 675 CB SER A 44 9.456 9.837 3.272 1.00 0.00 C ATOM 676 OG SER A 44 9.760 10.832 4.234 1.00 0.00 O ATOM 0 H SER A 44 8.485 8.346 1.550 1.00 0.00 H new ATOM 0 HA SER A 44 7.352 10.207 3.393 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.440 8.857 3.750 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.238 9.809 2.513 1.00 0.00 H new ATOM 0 HG SER A 44 10.628 10.635 4.645 1.00 0.00 H new ATOM 766 N VAL A 52 10.504 8.879 -7.671 1.00 0.00 N ATOM 767 CA VAL A 52 10.412 7.664 -6.854 1.00 0.00 C ATOM 768 C VAL A 52 8.971 7.165 -6.722 1.00 0.00 C ATOM 769 O VAL A 52 8.696 5.978 -6.924 1.00 0.00 O ATOM 770 CB VAL A 52 10.989 7.902 -5.441 1.00 0.00 C ATOM 771 CG1 VAL A 52 10.980 6.618 -4.626 1.00 0.00 C ATOM 772 CG2 VAL A 52 12.398 8.471 -5.524 1.00 0.00 C ATOM 0 HA VAL A 52 10.998 6.903 -7.369 1.00 0.00 H new ATOM 0 HB VAL A 52 10.353 8.629 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.391 6.813 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.957 6.256 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.586 5.864 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.786 8.631 -4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.043 7.770 -6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.376 9.420 -6.060 1.00 0.00 H new ATOM 782 N GLY A 53 8.060 8.075 -6.396 1.00 0.00 N ATOM 783 CA GLY A 53 6.662 7.715 -6.244 1.00 0.00 C ATOM 784 C GLY A 53 6.080 7.061 -7.483 1.00 0.00 C ATOM 785 O GLY A 53 5.304 6.112 -7.387 1.00 0.00 O ATOM 0 H GLY A 53 8.266 9.061 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.557 7.036 -5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.086 8.610 -6.007 1.00 0.00 H new ATOM 789 N LYS A 54 6.476 7.544 -8.654 1.00 0.00 N ATOM 790 CA LYS A 54 5.926 7.036 -9.901 1.00 0.00 C ATOM 791 C LYS A 54 6.590 5.715 -10.289 1.00 0.00 C ATOM 792 O LYS A 54 6.018 4.918 -11.034 1.00 0.00 O ATOM 793 CB LYS A 54 6.068 8.076 -11.021 1.00 0.00 C ATOM 794 CG LYS A 54 5.366 7.678 -12.313 1.00 0.00 C ATOM 795 CD LYS A 54 5.237 8.846 -13.284 1.00 0.00 C ATOM 796 CE LYS A 54 4.350 9.950 -12.720 1.00 0.00 C ATOM 797 NZ LYS A 54 3.996 10.967 -13.746 1.00 0.00 N ATOM 0 H LYS A 54 7.171 8.282 -8.765 1.00 0.00 H new ATOM 0 HA LYS A 54 4.863 6.845 -9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.664 9.028 -10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.127 8.235 -11.226 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.920 6.870 -12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.374 7.290 -12.081 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.226 9.249 -13.502 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.822 8.491 -14.227 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.438 9.510 -12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.862 10.437 -11.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.449 11.732 -13.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.865 11.358 -14.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.425 10.522 -14.493 1.00 0.00 H new ATOM 811 N LYS A 55 7.785 5.471 -9.762 1.00 0.00 N ATOM 812 CA LYS A 55 8.473 4.205 -10.001 1.00 0.00 C ATOM 813 C LYS A 55 7.706 3.068 -9.344 1.00 0.00 C ATOM 814 O LYS A 55 7.636 1.958 -9.875 1.00 0.00 O ATOM 815 CB LYS A 55 9.906 4.238 -9.461 1.00 0.00 C ATOM 816 CG LYS A 55 10.790 5.287 -10.116 1.00 0.00 C ATOM 817 CD LYS A 55 12.231 5.184 -9.632 1.00 0.00 C ATOM 818 CE LYS A 55 12.900 3.905 -10.123 1.00 0.00 C ATOM 819 NZ LYS A 55 14.308 3.792 -9.649 1.00 0.00 N ATOM 0 H LYS A 55 8.295 6.127 -9.171 1.00 0.00 H new ATOM 0 HA LYS A 55 8.518 4.045 -11.078 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.874 4.423 -8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.359 3.257 -9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.759 5.166 -11.199 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.401 6.281 -9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.795 6.048 -9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.252 5.211 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.331 3.042 -9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.882 3.882 -11.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.725 2.908 -10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.859 4.601 -10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.325 3.788 -8.609 1.00 0.00 H new ATOM 833 N LEU A 56 7.124 3.357 -8.187 1.00 0.00 N ATOM 834 CA LEU A 56 6.306 2.384 -7.476 1.00 0.00 C ATOM 835 C LEU A 56 5.012 2.126 -8.238 1.00 0.00 C ATOM 836 O LEU A 56 4.554 0.986 -8.341 1.00 0.00 O ATOM 837 CB LEU A 56 5.988 2.878 -6.067 1.00 0.00 C ATOM 838 CG LEU A 56 7.190 3.017 -5.138 1.00 0.00 C ATOM 839 CD1 LEU A 56 6.736 3.498 -3.773 1.00 0.00 C ATOM 840 CD2 LEU A 56 7.937 1.695 -5.020 1.00 0.00 C ATOM 0 H LEU A 56 7.204 4.260 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 56 6.868 1.453 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.494 3.847 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.275 2.191 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 56 7.874 3.753 -5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.600 3.595 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.246 4.466 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.036 2.779 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.790 1.817 -4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.268 0.934 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.288 1.386 -6.005 1.00 0.00 H new ATOM 852 N LEU A 57 4.427 3.195 -8.767 1.00 0.00 N ATOM 853 CA LEU A 57 3.228 3.082 -9.586 1.00 0.00 C ATOM 854 C LEU A 57 3.490 2.207 -10.804 1.00 0.00 C ATOM 855 O LEU A 57 2.666 1.363 -11.152 1.00 0.00 O ATOM 856 CB LEU A 57 2.729 4.461 -10.022 1.00 0.00 C ATOM 857 CG LEU A 57 1.703 5.114 -9.088 1.00 0.00 C ATOM 858 CD1 LEU A 57 2.271 5.301 -7.691 1.00 0.00 C ATOM 859 CD2 LEU A 57 1.243 6.445 -9.660 1.00 0.00 C ATOM 0 H LEU A 57 4.765 4.149 -8.643 1.00 0.00 H new ATOM 0 HA LEU A 57 2.452 2.614 -8.980 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.587 5.127 -10.114 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.287 4.372 -11.014 1.00 0.00 H new ATOM 0 HG LEU A 57 0.843 4.449 -9.011 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.520 5.766 -7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.548 4.331 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.153 5.940 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.515 6.898 -8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.100 7.110 -9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.784 6.283 -10.635 1.00 0.00 H new ATOM 871 N LYS A 58 4.650 2.401 -11.436 1.00 0.00 N ATOM 872 CA LYS A 58 5.034 1.596 -12.591 1.00 0.00 C ATOM 873 C LYS A 58 5.009 0.113 -12.242 1.00 0.00 C ATOM 874 O LYS A 58 4.473 -0.693 -12.993 1.00 0.00 O ATOM 875 CB LYS A 58 6.436 1.961 -13.091 1.00 0.00 C ATOM 876 CG LYS A 58 6.854 1.135 -14.297 1.00 0.00 C ATOM 877 CD LYS A 58 8.362 1.079 -14.474 1.00 0.00 C ATOM 878 CE LYS A 58 8.730 0.076 -15.558 1.00 0.00 C ATOM 879 NZ LYS A 58 10.192 -0.174 -15.636 1.00 0.00 N ATOM 0 H LYS A 58 5.335 3.107 -11.166 1.00 0.00 H new ATOM 0 HA LYS A 58 4.312 1.805 -13.380 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.462 3.019 -13.352 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.156 1.814 -12.286 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.467 0.122 -14.190 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.402 1.556 -15.195 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.741 2.066 -14.739 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.835 0.798 -13.533 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.214 -0.865 -15.366 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.376 0.443 -16.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.387 -0.864 -16.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.686 0.717 -15.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.529 -0.550 -14.727 1.00 0.00 H new ATOM 893 N ALA A 59 5.586 -0.228 -11.093 1.00 0.00 N ATOM 894 CA ALA A 59 5.678 -1.615 -10.645 1.00 0.00 C ATOM 895 C ALA A 59 4.310 -2.291 -10.638 1.00 0.00 C ATOM 896 O ALA A 59 4.139 -3.382 -11.186 1.00 0.00 O ATOM 897 CB ALA A 59 6.301 -1.678 -9.258 1.00 0.00 C ATOM 0 H ALA A 59 6.001 0.445 -10.449 1.00 0.00 H new ATOM 0 HA ALA A 59 6.313 -2.153 -11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.364 -2.717 -8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.301 -1.246 -9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.684 -1.117 -8.556 1.00 0.00 H new ATOM 903 N VAL A 60 3.338 -1.626 -10.035 1.00 0.00 N ATOM 904 CA VAL A 60 2.003 -2.188 -9.908 1.00 0.00 C ATOM 905 C VAL A 60 1.275 -2.203 -11.253 1.00 0.00 C ATOM 906 O VAL A 60 0.692 -3.218 -11.635 1.00 0.00 O ATOM 907 CB VAL A 60 1.170 -1.416 -8.860 1.00 0.00 C ATOM 908 CG1 VAL A 60 -0.219 -2.017 -8.721 1.00 0.00 C ATOM 909 CG2 VAL A 60 1.882 -1.412 -7.513 1.00 0.00 C ATOM 0 H VAL A 60 3.448 -0.698 -9.626 1.00 0.00 H new ATOM 0 HA VAL A 60 2.117 -3.218 -9.569 1.00 0.00 H new ATOM 0 HB VAL A 60 1.063 -0.387 -9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.785 -1.456 -7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.734 -1.970 -9.681 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.136 -3.057 -8.405 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.282 -0.864 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.019 -2.438 -7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.855 -0.931 -7.617 1.00 0.00 H new ATOM 919 N VAL A 61 1.341 -1.092 -11.983 1.00 0.00 N ATOM 920 CA VAL A 61 0.653 -0.973 -13.269 1.00 0.00 C ATOM 921 C VAL A 61 1.241 -1.938 -14.299 1.00 0.00 C ATOM 922 O VAL A 61 0.515 -2.492 -15.127 1.00 0.00 O ATOM 923 CB VAL A 61 0.711 0.476 -13.811 1.00 0.00 C ATOM 924 CG1 VAL A 61 0.048 0.582 -15.176 1.00 0.00 C ATOM 925 CG2 VAL A 61 0.051 1.431 -12.829 1.00 0.00 C ATOM 0 H VAL A 61 1.864 -0.261 -11.707 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.391 -1.235 -13.099 1.00 0.00 H new ATOM 0 HB VAL A 61 1.759 0.751 -13.925 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.105 1.612 -15.529 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.560 -0.073 -15.881 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.997 0.283 -15.097 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.098 2.447 -13.222 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.991 1.145 -12.688 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.572 1.387 -11.873 1.00 0.00 H new ATOM 935 N GLU A 62 2.549 -2.143 -14.233 1.00 0.00 N ATOM 936 CA GLU A 62 3.226 -3.092 -15.109 1.00 0.00 C ATOM 937 C GLU A 62 2.641 -4.489 -14.936 1.00 0.00 C ATOM 938 O GLU A 62 2.230 -5.130 -15.903 1.00 0.00 O ATOM 939 CB GLU A 62 4.725 -3.115 -14.806 1.00 0.00 C ATOM 940 CG GLU A 62 5.504 -4.152 -15.600 1.00 0.00 C ATOM 941 CD GLU A 62 6.950 -4.251 -15.161 1.00 0.00 C ATOM 942 OE1 GLU A 62 7.205 -4.757 -14.047 1.00 0.00 O ATOM 943 OE2 GLU A 62 7.841 -3.826 -15.925 1.00 0.00 O ATOM 0 H GLU A 62 3.166 -1.662 -13.578 1.00 0.00 H new ATOM 0 HA GLU A 62 3.077 -2.775 -16.141 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.141 -2.129 -15.011 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.867 -3.306 -13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.026 -5.125 -15.488 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.466 -3.898 -16.659 1.00 0.00 H new ATOM 950 N HIS A 63 2.577 -4.945 -13.692 1.00 0.00 N ATOM 951 CA HIS A 63 2.062 -6.274 -13.402 1.00 0.00 C ATOM 952 C HIS A 63 0.555 -6.318 -13.650 1.00 0.00 C ATOM 953 O HIS A 63 -0.007 -7.371 -13.967 1.00 0.00 O ATOM 954 CB HIS A 63 2.390 -6.666 -11.961 1.00 0.00 C ATOM 955 CG HIS A 63 2.262 -8.132 -11.691 1.00 0.00 C ATOM 956 ND1 HIS A 63 2.851 -9.093 -12.478 1.00 0.00 N ATOM 957 CD2 HIS A 63 1.621 -8.799 -10.704 1.00 0.00 C ATOM 958 CE1 HIS A 63 2.581 -10.286 -11.991 1.00 0.00 C ATOM 959 NE2 HIS A 63 1.835 -10.140 -10.911 1.00 0.00 N ATOM 0 H HIS A 63 2.874 -4.416 -12.872 1.00 0.00 H new ATOM 0 HA HIS A 63 2.540 -6.993 -14.067 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.408 -6.351 -11.731 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.728 -6.122 -11.287 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.411 -8.910 -13.311 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.047 -8.359 -9.902 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.914 -11.226 -12.405 1.00 0.00 H new ATOM 968 N ALA A 64 -0.090 -5.162 -13.518 1.00 0.00 N ATOM 969 CA ALA A 64 -1.507 -5.030 -13.822 1.00 0.00 C ATOM 970 C ALA A 64 -1.748 -5.220 -15.313 1.00 0.00 C ATOM 971 O ALA A 64 -2.720 -5.852 -15.715 1.00 0.00 O ATOM 972 CB ALA A 64 -2.030 -3.678 -13.364 1.00 0.00 C ATOM 0 H ALA A 64 0.352 -4.299 -13.200 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.050 -5.806 -13.282 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.091 -3.599 -13.600 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.890 -3.579 -12.288 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.485 -2.885 -13.875 1.00 0.00 H new ATOM 978 N ARG A 65 -0.853 -4.674 -16.133 1.00 0.00 N ATOM 979 CA ARG A 65 -0.913 -4.877 -17.579 1.00 0.00 C ATOM 980 C ARG A 65 -0.858 -6.363 -17.913 1.00 0.00 C ATOM 981 O ARG A 65 -1.581 -6.846 -18.784 1.00 0.00 O ATOM 982 CB ARG A 65 0.247 -4.161 -18.282 1.00 0.00 C ATOM 983 CG ARG A 65 0.066 -2.658 -18.437 1.00 0.00 C ATOM 984 CD ARG A 65 -1.126 -2.324 -19.320 1.00 0.00 C ATOM 985 NE ARG A 65 -1.051 -0.967 -19.863 1.00 0.00 N ATOM 986 CZ ARG A 65 -2.043 -0.083 -19.810 1.00 0.00 C ATOM 987 NH1 ARG A 65 -3.150 -0.373 -19.142 1.00 0.00 N ATOM 988 NH2 ARG A 65 -1.926 1.094 -20.411 1.00 0.00 N ATOM 0 H ARG A 65 -0.078 -4.088 -15.822 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.856 -4.459 -17.932 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.164 -4.347 -17.722 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.382 -4.601 -19.270 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.070 -2.205 -17.455 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.970 -2.225 -18.866 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.179 -3.039 -20.141 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.044 -2.432 -18.743 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.181 -0.681 -20.311 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.240 -1.273 -18.670 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.912 0.303 -19.100 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.071 1.325 -20.918 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.691 1.768 -20.367 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.002 -7.079 -17.199 1.00 0.00 N ATOM 1003 CA GLU A 66 0.187 -8.502 -17.432 1.00 0.00 C ATOM 1004 C GLU A 66 -1.053 -9.302 -17.054 1.00 0.00 C ATOM 1005 O GLU A 66 -1.606 -10.032 -17.873 1.00 0.00 O ATOM 1006 CB GLU A 66 1.370 -9.024 -16.620 1.00 0.00 C ATOM 1007 CG GLU A 66 2.644 -8.220 -16.788 1.00 0.00 C ATOM 1008 CD GLU A 66 3.810 -8.853 -16.065 1.00 0.00 C ATOM 1009 OE1 GLU A 66 3.922 -8.675 -14.835 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.610 -9.547 -16.724 1.00 0.00 O ATOM 0 H GLU A 66 0.575 -6.695 -16.450 1.00 0.00 H new ATOM 0 HA GLU A 66 0.379 -8.628 -18.498 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.096 -9.033 -15.565 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.565 -10.057 -16.907 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.880 -8.131 -17.848 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.488 -7.210 -16.410 1.00 0.00 H new ATOM 1017 N ASN A 67 -1.482 -9.163 -15.808 1.00 0.00 N ATOM 1018 CA ASN A 67 -2.532 -10.017 -15.259 1.00 0.00 C ATOM 1019 C ASN A 67 -3.925 -9.455 -15.527 1.00 0.00 C ATOM 1020 O ASN A 67 -4.922 -10.095 -15.198 1.00 0.00 O ATOM 1021 CB ASN A 67 -2.331 -10.201 -13.749 1.00 0.00 C ATOM 1022 CG ASN A 67 -1.161 -11.108 -13.392 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -0.176 -11.201 -14.271 1.00 0.00 O flip ATOM 1024 ND2 ASN A 67 -1.148 -11.733 -12.331 1.00 0.00 N flip ATOM 0 H ASN A 67 -1.121 -8.467 -15.156 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.459 -10.982 -15.760 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.175 -9.224 -13.291 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -3.243 -10.613 -13.318 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.923 -11.639 -11.674 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.362 -12.344 -12.109 1.00 0.00 H new ATOM 1031 N ASN A 68 -3.983 -8.261 -16.119 1.00 0.00 N ATOM 1032 CA ASN A 68 -5.257 -7.587 -16.412 1.00 0.00 C ATOM 1033 C ASN A 68 -5.955 -7.190 -15.112 1.00 0.00 C ATOM 1034 O ASN A 68 -7.188 -7.170 -15.030 1.00 0.00 O ATOM 1035 CB ASN A 68 -6.183 -8.476 -17.261 1.00 0.00 C ATOM 1036 CG ASN A 68 -5.763 -8.576 -18.722 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -4.468 -8.505 -18.988 1.00 0.00 O flip ATOM 1038 ND2 ASN A 68 -6.602 -8.727 -19.607 1.00 0.00 N flip ATOM 0 H ASN A 68 -3.159 -7.735 -16.408 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.035 -6.689 -16.989 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.207 -9.477 -16.830 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.198 -8.082 -17.210 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.592 -8.778 -19.368 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.308 -8.802 -20.581 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.142 -6.832 -14.123 1.00 0.00 N ATOM 1046 CA LEU A 69 -5.626 -6.509 -12.785 1.00 0.00 C ATOM 1047 C LEU A 69 -6.318 -5.154 -12.757 1.00 0.00 C ATOM 1048 O LEU A 69 -6.000 -4.261 -13.549 1.00 0.00 O ATOM 1049 CB LEU A 69 -4.457 -6.496 -11.792 1.00 0.00 C ATOM 1050 CG LEU A 69 -3.704 -7.819 -11.632 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -2.406 -7.606 -10.866 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -4.571 -8.849 -10.921 1.00 0.00 C ATOM 0 H LEU A 69 -4.130 -6.758 -14.226 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.348 -7.275 -12.501 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.747 -5.731 -12.106 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.838 -6.196 -10.816 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.464 -8.196 -12.626 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.885 -8.557 -10.762 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.774 -6.903 -11.409 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.629 -7.204 -9.877 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.017 -9.782 -10.818 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.842 -8.477 -9.933 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.476 -9.027 -11.503 1.00 0.00 H new ATOM 1064 N LYS A 70 -7.261 -5.006 -11.838 1.00 0.00 N ATOM 1065 CA LYS A 70 -7.930 -3.734 -11.623 1.00 0.00 C ATOM 1066 C LYS A 70 -7.207 -2.957 -10.535 1.00 0.00 C ATOM 1067 O LYS A 70 -6.855 -3.518 -9.495 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.386 -3.944 -11.215 1.00 0.00 C ATOM 1069 CG LYS A 70 -10.191 -4.781 -12.189 1.00 0.00 C ATOM 1070 CD LYS A 70 -11.640 -4.865 -11.751 1.00 0.00 C ATOM 1071 CE LYS A 70 -12.414 -5.881 -12.563 1.00 0.00 C ATOM 1072 NZ LYS A 70 -13.826 -5.981 -12.110 1.00 0.00 N ATOM 0 H LYS A 70 -7.581 -5.757 -11.226 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.910 -3.173 -12.557 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.412 -4.422 -10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.865 -2.971 -11.108 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.132 -4.345 -13.186 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.766 -5.783 -12.253 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.686 -5.132 -10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.108 -3.886 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.388 -5.602 -13.616 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.934 -6.856 -12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.172 -6.950 -12.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.883 -5.748 -11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.413 -5.315 -12.652 1.00 0.00 H new ATOM 1086 N ILE A 71 -6.990 -1.674 -10.775 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.240 -0.842 -9.850 1.00 0.00 C ATOM 1088 C ILE A 71 -7.145 0.149 -9.126 1.00 0.00 C ATOM 1089 O ILE A 71 -7.749 1.030 -9.744 1.00 0.00 O ATOM 1090 CB ILE A 71 -5.119 -0.066 -10.581 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -4.159 -1.041 -11.267 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -4.367 0.837 -9.612 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -3.470 -1.992 -10.313 1.00 0.00 C ATOM 0 H ILE A 71 -7.324 -1.185 -11.606 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.794 -1.512 -9.115 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.577 0.564 -11.344 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.711 -1.620 -12.007 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.403 -0.472 -11.808 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.583 1.373 -10.148 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.060 1.553 -9.170 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.919 0.232 -8.824 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.806 -2.651 -10.872 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.889 -1.422 -9.588 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.218 -2.588 -9.790 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.251 -0.020 -7.817 1.00 0.00 N ATOM 1106 CA ILE A 72 -7.921 0.946 -6.959 1.00 0.00 C ATOM 1107 C ILE A 72 -7.014 1.286 -5.784 1.00 0.00 C ATOM 1108 O ILE A 72 -6.225 0.454 -5.345 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.301 0.460 -6.429 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.233 -0.970 -5.858 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.358 0.559 -7.521 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -9.287 -2.071 -6.903 1.00 0.00 C ATOM 0 H ILE A 72 -6.876 -0.828 -7.320 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.119 1.826 -7.570 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.584 1.118 -5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.311 -1.075 -5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.059 -1.108 -5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.316 0.215 -7.132 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.449 1.595 -7.846 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.066 -0.062 -8.368 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.233 -3.042 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.221 -1.998 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.446 -1.964 -7.588 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.106 2.506 -5.285 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.216 2.945 -4.223 1.00 0.00 C ATOM 1126 C ALA A 73 -6.999 3.521 -3.055 1.00 0.00 C ATOM 1127 O ALA A 73 -7.996 4.215 -3.245 1.00 0.00 O ATOM 1128 CB ALA A 73 -5.224 3.966 -4.759 1.00 0.00 C ATOM 0 H ALA A 73 -7.781 3.205 -5.594 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.665 2.078 -3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.563 4.288 -3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.633 3.515 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.765 4.828 -5.151 1.00 0.00 H new ATOM 1134 N SER A 74 -6.551 3.207 -1.850 1.00 0.00 N ATOM 1135 CA SER A 74 -7.153 3.741 -0.643 1.00 0.00 C ATOM 1136 C SER A 74 -6.407 5.006 -0.230 1.00 0.00 C ATOM 1137 O SER A 74 -7.008 5.978 0.233 1.00 0.00 O ATOM 1138 CB SER A 74 -7.104 2.691 0.475 1.00 0.00 C ATOM 1139 OG SER A 74 -7.901 3.068 1.586 1.00 0.00 O ATOM 0 H SER A 74 -5.765 2.579 -1.683 1.00 0.00 H new ATOM 0 HA SER A 74 -8.198 3.990 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.449 1.732 0.089 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.072 2.552 0.798 1.00 0.00 H new ATOM 0 HG SER A 74 -7.847 2.376 2.277 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.087 4.980 -0.416 1.00 0.00 N ATOM 1146 CA CYS A 75 -4.241 6.131 -0.127 1.00 0.00 C ATOM 1147 C CYS A 75 -4.603 7.298 -1.038 1.00 0.00 C ATOM 1148 O CYS A 75 -4.468 7.206 -2.260 1.00 0.00 O ATOM 1149 CB CYS A 75 -2.765 5.760 -0.306 1.00 0.00 C ATOM 1150 SG CYS A 75 -1.609 7.109 0.032 1.00 0.00 S ATOM 0 H CYS A 75 -4.581 4.167 -0.768 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.406 6.433 0.907 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -2.531 4.924 0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -2.611 5.414 -1.328 1.00 0.00 H new ATOM 0 HG CYS A 75 -1.114 6.968 1.226 1.00 0.00 H new ATOM 1156 N SER A 76 -5.057 8.387 -0.431 1.00 0.00 N ATOM 1157 CA SER A 76 -5.525 9.557 -1.166 1.00 0.00 C ATOM 1158 C SER A 76 -4.453 10.109 -2.109 1.00 0.00 C ATOM 1159 O SER A 76 -4.759 10.525 -3.226 1.00 0.00 O ATOM 1160 CB SER A 76 -5.962 10.632 -0.171 1.00 0.00 C ATOM 1161 OG SER A 76 -6.822 10.076 0.813 1.00 0.00 O ATOM 0 H SER A 76 -5.112 8.485 0.583 1.00 0.00 H new ATOM 0 HA SER A 76 -6.370 9.256 -1.785 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.087 11.071 0.308 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.474 11.437 -0.698 1.00 0.00 H new ATOM 0 HG SER A 76 -7.092 10.775 1.444 1.00 0.00 H new ATOM 1167 N PHE A 77 -3.201 10.093 -1.657 1.00 0.00 N ATOM 1168 CA PHE A 77 -2.084 10.600 -2.450 1.00 0.00 C ATOM 1169 C PHE A 77 -1.988 9.867 -3.788 1.00 0.00 C ATOM 1170 O PHE A 77 -2.043 10.485 -4.853 1.00 0.00 O ATOM 1171 CB PHE A 77 -0.775 10.443 -1.666 1.00 0.00 C ATOM 1172 CG PHE A 77 0.443 10.946 -2.393 1.00 0.00 C ATOM 1173 CD1 PHE A 77 0.697 12.303 -2.486 1.00 0.00 C ATOM 1174 CD2 PHE A 77 1.333 10.059 -2.979 1.00 0.00 C ATOM 1175 CE1 PHE A 77 1.817 12.769 -3.150 1.00 0.00 C ATOM 1176 CE2 PHE A 77 2.454 10.519 -3.645 1.00 0.00 C ATOM 1177 CZ PHE A 77 2.696 11.876 -3.731 1.00 0.00 C ATOM 0 H PHE A 77 -2.934 9.732 -0.741 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.256 11.657 -2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.865 10.976 -0.719 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.632 9.389 -1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.013 13.006 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.149 8.997 -2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.004 13.831 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.140 9.818 -4.097 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.570 12.238 -4.251 1.00 0.00 H new ATOM 1187 N ALA A 78 -1.866 8.545 -3.725 1.00 0.00 N ATOM 1188 CA ALA A 78 -1.740 7.731 -4.928 1.00 0.00 C ATOM 1189 C ALA A 78 -3.030 7.745 -5.737 1.00 0.00 C ATOM 1190 O ALA A 78 -3.001 7.806 -6.965 1.00 0.00 O ATOM 1191 CB ALA A 78 -1.369 6.302 -4.568 1.00 0.00 C ATOM 0 H ALA A 78 -1.852 8.015 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.946 8.160 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.279 5.709 -5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.418 6.296 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.144 5.874 -3.931 1.00 0.00 H new ATOM 1197 N LYS A 79 -4.155 7.704 -5.034 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.469 7.685 -5.665 1.00 0.00 C ATOM 1199 C LYS A 79 -5.665 8.927 -6.532 1.00 0.00 C ATOM 1200 O LYS A 79 -6.113 8.832 -7.671 1.00 0.00 O ATOM 1201 CB LYS A 79 -6.555 7.602 -4.581 1.00 0.00 C ATOM 1202 CG LYS A 79 -7.914 7.106 -5.066 1.00 0.00 C ATOM 1203 CD LYS A 79 -8.752 8.208 -5.696 1.00 0.00 C ATOM 1204 CE LYS A 79 -10.137 7.699 -6.061 1.00 0.00 C ATOM 1205 NZ LYS A 79 -11.000 8.768 -6.626 1.00 0.00 N ATOM 0 H LYS A 79 -4.183 7.683 -4.015 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.544 6.810 -6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.206 6.941 -3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.682 8.590 -4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.766 6.307 -5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.460 6.676 -4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.839 9.045 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.252 8.584 -6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.045 6.889 -6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.614 7.281 -5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.826 8.339 -7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.319 9.397 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.459 9.318 -7.323 1.00 0.00 H new ATOM 1219 N HIS A 80 -5.296 10.084 -5.994 1.00 0.00 N ATOM 1220 CA HIS A 80 -5.466 11.350 -6.700 1.00 0.00 C ATOM 1221 C HIS A 80 -4.496 11.460 -7.879 1.00 0.00 C ATOM 1222 O HIS A 80 -4.771 12.158 -8.854 1.00 0.00 O ATOM 1223 CB HIS A 80 -5.263 12.520 -5.732 1.00 0.00 C ATOM 1224 CG HIS A 80 -5.504 13.869 -6.344 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -4.540 14.851 -6.399 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -6.612 14.401 -6.915 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -5.041 15.926 -6.974 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -6.296 15.682 -7.298 1.00 0.00 N ATOM 0 H HIS A 80 -4.876 10.172 -5.069 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.481 11.387 -7.097 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.932 12.394 -4.881 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.245 12.485 -5.345 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -7.565 13.910 -7.045 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.513 16.851 -7.150 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.928 16.337 -7.758 1.00 0.00 H new ATOM 1237 N MET A 81 -3.368 10.769 -7.788 1.00 0.00 N ATOM 1238 CA MET A 81 -2.380 10.784 -8.859 1.00 0.00 C ATOM 1239 C MET A 81 -2.817 9.872 -10.004 1.00 0.00 C ATOM 1240 O MET A 81 -2.715 10.239 -11.176 1.00 0.00 O ATOM 1241 CB MET A 81 -1.003 10.378 -8.319 1.00 0.00 C ATOM 1242 CG MET A 81 0.079 10.283 -9.383 1.00 0.00 C ATOM 1243 SD MET A 81 1.746 10.321 -8.690 1.00 0.00 S ATOM 1244 CE MET A 81 1.619 9.090 -7.395 1.00 0.00 C ATOM 0 H MET A 81 -3.114 10.192 -6.986 1.00 0.00 H new ATOM 0 HA MET A 81 -2.303 11.798 -9.251 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.693 11.101 -7.565 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.091 9.414 -7.819 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.054 9.361 -9.948 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.036 11.108 -10.087 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.547 8.521 -7.341 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.440 9.584 -6.440 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.792 8.415 -7.615 1.00 0.00 H new ATOM 1254 N LEU A 82 -3.330 8.694 -9.657 1.00 0.00 N ATOM 1255 CA LEU A 82 -3.862 7.762 -10.651 1.00 0.00 C ATOM 1256 C LEU A 82 -5.093 8.363 -11.329 1.00 0.00 C ATOM 1257 O LEU A 82 -5.396 8.071 -12.486 1.00 0.00 O ATOM 1258 CB LEU A 82 -4.246 6.436 -9.986 1.00 0.00 C ATOM 1259 CG LEU A 82 -3.109 5.698 -9.277 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -3.650 4.512 -8.494 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -2.066 5.234 -10.279 1.00 0.00 C ATOM 0 H LEU A 82 -3.389 8.361 -8.695 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.090 7.578 -11.398 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.037 6.629 -9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.664 5.777 -10.746 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.636 6.389 -8.580 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.827 3.999 -7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.363 4.863 -7.748 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.148 3.823 -9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.266 4.711 -9.755 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.529 4.560 -11.000 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.654 6.097 -10.802 1.00 0.00 H new ATOM 1273 N GLU A 83 -5.783 9.209 -10.580 1.00 0.00 N ATOM 1274 CA GLU A 83 -7.013 9.848 -11.032 1.00 0.00 C ATOM 1275 C GLU A 83 -6.724 11.010 -11.985 1.00 0.00 C ATOM 1276 O GLU A 83 -7.595 11.442 -12.745 1.00 0.00 O ATOM 1277 CB GLU A 83 -7.779 10.346 -9.801 1.00 0.00 C ATOM 1278 CG GLU A 83 -9.114 11.004 -10.094 1.00 0.00 C ATOM 1279 CD GLU A 83 -9.786 11.495 -8.831 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -9.444 12.598 -8.358 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -10.654 10.777 -8.296 1.00 0.00 O ATOM 0 H GLU A 83 -5.505 9.474 -9.635 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.612 9.122 -11.583 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.947 9.502 -9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.151 11.058 -9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.965 11.841 -10.776 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.767 10.293 -10.600 1.00 0.00 H new ATOM 1288 N LYS A 84 -5.497 11.512 -11.954 1.00 0.00 N ATOM 1289 CA LYS A 84 -5.146 12.677 -12.752 1.00 0.00 C ATOM 1290 C LYS A 84 -4.467 12.278 -14.056 1.00 0.00 C ATOM 1291 O LYS A 84 -4.745 12.856 -15.108 1.00 0.00 O ATOM 1292 CB LYS A 84 -4.231 13.620 -11.964 1.00 0.00 C ATOM 1293 CG LYS A 84 -4.040 14.970 -12.638 1.00 0.00 C ATOM 1294 CD LYS A 84 -3.048 15.851 -11.891 1.00 0.00 C ATOM 1295 CE LYS A 84 -1.627 15.329 -12.021 1.00 0.00 C ATOM 1296 NZ LYS A 84 -0.639 16.249 -11.395 1.00 0.00 N ATOM 0 H LYS A 84 -4.735 11.135 -11.390 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.075 13.195 -12.992 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.648 13.774 -10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.258 13.146 -11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.691 14.818 -13.659 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.001 15.481 -12.702 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.099 16.868 -12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.324 15.898 -10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.557 14.347 -11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.383 15.197 -13.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.318 15.857 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.688 17.179 -11.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.856 16.355 -10.383 1.00 0.00 H new ATOM 1310 N GLU A 85 -3.583 11.292 -13.987 1.00 0.00 N ATOM 1311 CA GLU A 85 -2.751 10.935 -15.129 1.00 0.00 C ATOM 1312 C GLU A 85 -3.442 9.907 -16.027 1.00 0.00 C ATOM 1313 O GLU A 85 -4.114 8.991 -15.552 1.00 0.00 O ATOM 1314 CB GLU A 85 -1.392 10.428 -14.643 1.00 0.00 C ATOM 1315 CG GLU A 85 -0.339 10.359 -15.735 1.00 0.00 C ATOM 1316 CD GLU A 85 1.022 10.815 -15.254 1.00 0.00 C ATOM 1317 OE1 GLU A 85 1.219 12.039 -15.100 1.00 0.00 O ATOM 1318 OE2 GLU A 85 1.901 9.961 -15.023 1.00 0.00 O ATOM 0 H GLU A 85 -3.423 10.726 -13.154 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.593 11.828 -15.734 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.034 11.081 -13.847 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.518 9.436 -14.209 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.267 9.335 -16.103 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.650 10.979 -16.576 1.00 0.00 H new ATOM 1325 N ASP A 86 -3.256 10.071 -17.334 1.00 0.00 N ATOM 1326 CA ASP A 86 -3.976 9.285 -18.335 1.00 0.00 C ATOM 1327 C ASP A 86 -3.419 7.872 -18.462 1.00 0.00 C ATOM 1328 O ASP A 86 -4.148 6.942 -18.804 1.00 0.00 O ATOM 1329 CB ASP A 86 -3.911 9.975 -19.703 1.00 0.00 C ATOM 1330 CG ASP A 86 -4.552 11.347 -19.705 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -5.772 11.439 -19.948 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -3.837 12.343 -19.464 1.00 0.00 O ATOM 0 H ASP A 86 -2.605 10.749 -17.729 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.011 9.216 -18.001 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.869 10.067 -20.008 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.406 9.348 -20.444 1.00 0.00 H new ATOM 1337 N SER A 87 -2.137 7.709 -18.165 1.00 0.00 N ATOM 1338 CA SER A 87 -1.445 6.437 -18.369 1.00 0.00 C ATOM 1339 C SER A 87 -2.005 5.318 -17.487 1.00 0.00 C ATOM 1340 O SER A 87 -1.764 4.137 -17.738 1.00 0.00 O ATOM 1341 CB SER A 87 0.049 6.623 -18.104 1.00 0.00 C ATOM 1342 OG SER A 87 0.263 7.359 -16.909 1.00 0.00 O ATOM 0 H SER A 87 -1.548 8.447 -17.779 1.00 0.00 H new ATOM 0 HA SER A 87 -1.606 6.134 -19.404 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.533 5.649 -18.028 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.510 7.143 -18.944 1.00 0.00 H new ATOM 0 HG SER A 87 1.225 7.465 -16.758 1.00 0.00 H new ATOM 1348 N TYR A 88 -2.767 5.686 -16.466 1.00 0.00 N ATOM 1349 CA TYR A 88 -3.290 4.709 -15.524 1.00 0.00 C ATOM 1350 C TYR A 88 -4.776 4.464 -15.757 1.00 0.00 C ATOM 1351 O TYR A 88 -5.372 3.593 -15.129 1.00 0.00 O ATOM 1352 CB TYR A 88 -3.066 5.191 -14.088 1.00 0.00 C ATOM 1353 CG TYR A 88 -1.655 5.659 -13.822 1.00 0.00 C ATOM 1354 CD1 TYR A 88 -0.586 4.775 -13.871 1.00 0.00 C ATOM 1355 CD2 TYR A 88 -1.394 6.987 -13.518 1.00 0.00 C ATOM 1356 CE1 TYR A 88 0.704 5.203 -13.629 1.00 0.00 C ATOM 1357 CE2 TYR A 88 -0.107 7.422 -13.275 1.00 0.00 C ATOM 1358 CZ TYR A 88 0.936 6.527 -13.330 1.00 0.00 C ATOM 1359 OH TYR A 88 2.220 6.958 -13.088 1.00 0.00 O ATOM 0 H TYR A 88 -3.035 6.650 -16.270 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.757 3.771 -15.680 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.757 6.007 -13.875 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.307 4.381 -13.400 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.766 3.736 -14.102 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.211 7.692 -13.471 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.526 4.504 -13.674 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.080 8.460 -13.043 1.00 0.00 H new ATOM 0 HH TYR A 88 2.308 7.895 -13.361 1.00 0.00 H new ATOM 1369 N GLN A 89 -5.354 5.197 -16.701 1.00 0.00 N ATOM 1370 CA GLN A 89 -6.807 5.225 -16.887 1.00 0.00 C ATOM 1371 C GLN A 89 -7.336 3.928 -17.518 1.00 0.00 C ATOM 1372 O GLN A 89 -8.536 3.782 -17.767 1.00 0.00 O ATOM 1373 CB GLN A 89 -7.180 6.443 -17.739 1.00 0.00 C ATOM 1374 CG GLN A 89 -8.671 6.760 -17.774 1.00 0.00 C ATOM 1375 CD GLN A 89 -8.975 8.061 -18.496 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -8.054 9.013 -18.411 1.00 0.00 O flip ATOM 1377 NE2 GLN A 89 -10.031 8.214 -19.114 1.00 0.00 N flip ATOM 0 H GLN A 89 -4.838 5.785 -17.356 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.278 5.305 -15.907 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.646 7.314 -17.359 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.833 6.277 -18.759 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.201 5.944 -18.265 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.050 6.818 -16.754 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.713 7.456 -19.155 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.223 9.098 -19.585 1.00 0.00 H new ATOM 1386 N ASP A 90 -6.443 2.983 -17.773 1.00 0.00 N ATOM 1387 CA ASP A 90 -6.852 1.694 -18.318 1.00 0.00 C ATOM 1388 C ASP A 90 -7.035 0.674 -17.206 1.00 0.00 C ATOM 1389 O ASP A 90 -7.961 -0.136 -17.236 1.00 0.00 O ATOM 1390 CB ASP A 90 -5.823 1.157 -19.313 1.00 0.00 C ATOM 1391 CG ASP A 90 -5.540 2.105 -20.454 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -6.474 2.419 -21.221 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -4.371 2.520 -20.595 1.00 0.00 O ATOM 0 H ASP A 90 -5.440 3.081 -17.614 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.799 1.851 -18.835 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.893 0.948 -18.785 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.180 0.210 -19.717 1.00 0.00 H new ATOM 1398 N VAL A 91 -6.142 0.713 -16.230 1.00 0.00 N ATOM 1399 CA VAL A 91 -6.158 -0.262 -15.150 1.00 0.00 C ATOM 1400 C VAL A 91 -6.827 0.306 -13.906 1.00 0.00 C ATOM 1401 O VAL A 91 -7.505 -0.413 -13.173 1.00 0.00 O ATOM 1402 CB VAL A 91 -4.733 -0.751 -14.803 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -4.188 -1.631 -15.915 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -3.795 0.422 -14.546 1.00 0.00 C ATOM 0 H VAL A 91 -5.398 1.408 -16.163 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.737 -1.116 -15.502 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.794 -1.340 -13.888 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.184 -1.967 -15.655 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.838 -2.497 -16.045 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.151 -1.062 -16.844 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.801 0.047 -14.304 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.740 1.046 -15.438 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.172 1.013 -13.712 1.00 0.00 H new ATOM 1414 N TYR A 92 -6.639 1.599 -13.676 1.00 0.00 N ATOM 1415 CA TYR A 92 -7.265 2.274 -12.553 1.00 0.00 C ATOM 1416 C TYR A 92 -8.759 2.423 -12.805 1.00 0.00 C ATOM 1417 O TYR A 92 -9.176 2.928 -13.850 1.00 0.00 O ATOM 1418 CB TYR A 92 -6.608 3.645 -12.322 1.00 0.00 C ATOM 1419 CG TYR A 92 -7.393 4.579 -11.430 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -7.560 4.316 -10.076 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -7.963 5.734 -11.949 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -8.275 5.179 -9.265 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -8.678 6.600 -11.146 1.00 0.00 C ATOM 1424 CZ TYR A 92 -8.833 6.319 -9.806 1.00 0.00 C ATOM 1425 OH TYR A 92 -9.546 7.182 -9.007 1.00 0.00 O ATOM 0 H TYR A 92 -6.055 2.201 -14.256 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.125 1.675 -11.653 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.621 3.491 -11.885 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -6.457 4.128 -13.288 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.125 3.424 -9.650 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.845 5.959 -12.999 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.396 4.962 -8.214 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.114 7.494 -11.566 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.869 7.934 -9.545 1.00 0.00 H new ATOM 1435 N LEU A 93 -9.559 1.969 -11.849 1.00 0.00 N ATOM 1436 CA LEU A 93 -11.008 2.022 -11.973 1.00 0.00 C ATOM 1437 C LEU A 93 -11.521 3.438 -11.729 1.00 0.00 C ATOM 1438 O LEU A 93 -12.098 3.737 -10.684 1.00 0.00 O ATOM 1439 CB LEU A 93 -11.668 1.042 -11.001 1.00 0.00 C ATOM 1440 CG LEU A 93 -11.318 -0.430 -11.229 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -12.020 -1.313 -10.209 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -11.683 -0.856 -12.644 1.00 0.00 C ATOM 0 H LEU A 93 -9.226 1.559 -10.976 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.271 1.732 -12.990 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.383 1.314 -9.985 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.750 1.158 -11.071 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.242 -0.547 -11.102 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -11.758 -2.356 -10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -11.707 -1.028 -9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.099 -1.189 -10.302 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -11.426 -1.906 -12.786 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -12.753 -0.720 -12.800 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -11.131 -0.248 -13.361 1.00 0.00 H new