USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 868 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 58 THR OG1 : rot 107:sc= 1.27 USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 1.04 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0.122 USER MOD Set 2.2: A 56 GLN : amide:sc= -1.56 K(o=-1.4,f=-2.7) USER MOD Set 3.1: A 39 SER OG : rot -50:sc= -0.51 USER MOD Set 3.2: A 62 THR OG1 : rot -66:sc= 0.558 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.435 K(o=0.44,f=-0.85) USER MOD Single : A 17 ASN : amide:sc= 0.971 K(o=0.97,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -110:sc= 0.753 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 70:sc= 0.132 USER MOD Single : A 36 ASN : amide:sc= -0.0725 K(o=-0.072,f=-2.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 79:sc= -0.617! USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 39:sc= 0.00212 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 3:sc= 1.13 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0824 USER MOD Single : A 66 LYS NZ :NH3+ -101:sc= -1.86! (180deg=-3.22!) USER MOD Single : A 67 TYR OH : rot 165:sc= -3.8! USER MOD Single : A 74 TYR OH : rot 30:sc= -0.644 USER MOD Single : A 79 GLN : amide:sc= -0.087 K(o=-0.087,f=-0.71) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -147:sc= -0.675 (180deg=-2.39!) USER MOD Single : A 97 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 101 ASN :FLIP amide:sc= -0.0933 F(o=-0.84,f=-0.093) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 147:sc= -2.62 (180deg=-4.73!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 117 LYS NZ :NH3+ 172:sc= 0.117 (180deg=0.0861) USER MOD Single : A 119 ASN : amide:sc= -7.25! C(o=-7.2!,f=-15!) USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 97 N ASP A 10 2.215 21.532 -6.316 1.00 0.00 N ATOM 98 CA ASP A 10 2.911 20.734 -7.319 1.00 0.00 C ATOM 99 C ASP A 10 2.784 19.245 -7.012 1.00 0.00 C ATOM 100 O ASP A 10 3.585 18.685 -6.262 1.00 0.00 O ATOM 101 CB ASP A 10 4.387 21.130 -7.383 1.00 0.00 C ATOM 102 CG ASP A 10 4.578 22.623 -7.562 1.00 0.00 C ATOM 103 OD1 ASP A 10 4.055 23.173 -8.554 1.00 0.00 O ATOM 104 OD2 ASP A 10 5.252 23.242 -6.712 1.00 0.00 O ATOM 0 HA ASP A 10 2.449 20.928 -8.287 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.886 20.810 -6.468 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.866 20.604 -8.209 1.00 0.00 H new ATOM 109 N TYR A 11 1.773 18.610 -7.594 1.00 0.00 N ATOM 110 CA TYR A 11 1.539 17.187 -7.380 1.00 0.00 C ATOM 111 C TYR A 11 2.761 16.367 -7.783 1.00 0.00 C ATOM 112 O TYR A 11 3.252 15.544 -7.012 1.00 0.00 O ATOM 113 CB TYR A 11 0.316 16.724 -8.174 1.00 0.00 C ATOM 114 CG TYR A 11 -0.869 17.655 -8.057 1.00 0.00 C ATOM 115 CD1 TYR A 11 -1.637 17.692 -6.899 1.00 0.00 C ATOM 116 CD2 TYR A 11 -1.222 18.498 -9.104 1.00 0.00 C ATOM 117 CE1 TYR A 11 -2.721 18.540 -6.788 1.00 0.00 C ATOM 118 CE2 TYR A 11 -2.304 19.350 -9.000 1.00 0.00 C ATOM 119 CZ TYR A 11 -3.051 19.368 -7.841 1.00 0.00 C ATOM 120 OH TYR A 11 -4.130 20.215 -7.735 1.00 0.00 O ATOM 0 H TYR A 11 1.102 19.058 -8.218 1.00 0.00 H new ATOM 0 HA TYR A 11 1.354 17.032 -6.317 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.590 16.629 -9.225 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.024 15.732 -7.829 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.381 17.046 -6.072 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.641 18.487 -10.014 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.308 18.555 -5.881 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.564 19.999 -9.823 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.224 20.730 -8.564 1.00 0.00 H new ATOM 130 N GLY A 12 3.248 16.601 -8.998 1.00 0.00 N ATOM 131 CA GLY A 12 4.408 15.877 -9.484 1.00 0.00 C ATOM 132 C GLY A 12 5.571 15.926 -8.513 1.00 0.00 C ATOM 133 O GLY A 12 6.411 15.028 -8.495 1.00 0.00 O ATOM 0 H GLY A 12 2.860 17.279 -9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.134 14.838 -9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.720 16.296 -10.441 1.00 0.00 H new ATOM 137 N GLU A 13 5.619 16.980 -7.703 1.00 0.00 N ATOM 138 CA GLU A 13 6.690 17.143 -6.726 1.00 0.00 C ATOM 139 C GLU A 13 6.461 16.244 -5.514 1.00 0.00 C ATOM 140 O GLU A 13 7.387 15.595 -5.028 1.00 0.00 O ATOM 141 CB GLU A 13 6.786 18.604 -6.281 1.00 0.00 C ATOM 142 CG GLU A 13 7.698 19.448 -7.155 1.00 0.00 C ATOM 143 CD GLU A 13 8.027 20.789 -6.530 1.00 0.00 C ATOM 144 OE1 GLU A 13 7.085 21.516 -6.152 1.00 0.00 O ATOM 145 OE2 GLU A 13 9.229 21.113 -6.418 1.00 0.00 O ATOM 0 H GLU A 13 4.930 17.732 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 13 7.628 16.853 -7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.788 19.042 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.147 18.639 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.623 18.902 -7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.221 19.609 -8.122 1.00 0.00 H new ATOM 152 N GLU A 14 5.223 16.214 -5.032 1.00 0.00 N ATOM 153 CA GLU A 14 4.874 15.396 -3.876 1.00 0.00 C ATOM 154 C GLU A 14 4.983 13.911 -4.208 1.00 0.00 C ATOM 155 O GLU A 14 5.210 13.083 -3.326 1.00 0.00 O ATOM 156 CB GLU A 14 3.455 15.722 -3.403 1.00 0.00 C ATOM 157 CG GLU A 14 3.335 17.077 -2.727 1.00 0.00 C ATOM 158 CD GLU A 14 3.782 17.048 -1.278 1.00 0.00 C ATOM 159 OE1 GLU A 14 5.000 17.164 -1.030 1.00 0.00 O ATOM 160 OE2 GLU A 14 2.913 16.908 -0.392 1.00 0.00 O ATOM 0 H GLU A 14 4.446 16.746 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 14 5.578 15.624 -3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.780 15.691 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.126 14.949 -2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.934 17.806 -3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.299 17.413 -2.777 1.00 0.00 H new ATOM 167 N GLN A 15 4.819 13.582 -5.485 1.00 0.00 N ATOM 168 CA GLN A 15 4.898 12.196 -5.933 1.00 0.00 C ATOM 169 C GLN A 15 6.332 11.683 -5.864 1.00 0.00 C ATOM 170 O GLN A 15 6.566 10.490 -5.670 1.00 0.00 O ATOM 171 CB GLN A 15 4.365 12.069 -7.361 1.00 0.00 C ATOM 172 CG GLN A 15 2.866 12.292 -7.474 1.00 0.00 C ATOM 173 CD GLN A 15 2.376 12.255 -8.908 1.00 0.00 C ATOM 174 OE1 GLN A 15 3.096 11.827 -9.811 1.00 0.00 O ATOM 175 NE2 GLN A 15 1.146 12.704 -9.126 1.00 0.00 N ATOM 0 H GLN A 15 4.631 14.255 -6.228 1.00 0.00 H new ATOM 0 HA GLN A 15 4.283 11.589 -5.268 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.880 12.789 -7.997 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.606 11.077 -7.743 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.345 11.529 -6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.612 13.255 -7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.584 13.050 -8.348 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.763 12.703 -10.071 1.00 0.00 H new ATOM 184 N ARG A 16 7.289 12.591 -6.025 1.00 0.00 N ATOM 185 CA ARG A 16 8.700 12.230 -5.983 1.00 0.00 C ATOM 186 C ARG A 16 9.264 12.401 -4.576 1.00 0.00 C ATOM 187 O ARG A 16 9.913 11.502 -4.043 1.00 0.00 O ATOM 188 CB ARG A 16 9.497 13.084 -6.970 1.00 0.00 C ATOM 189 CG ARG A 16 8.898 13.121 -8.367 1.00 0.00 C ATOM 190 CD ARG A 16 9.424 11.984 -9.229 1.00 0.00 C ATOM 191 NE ARG A 16 10.880 11.885 -9.175 1.00 0.00 N ATOM 192 CZ ARG A 16 11.696 12.680 -9.856 1.00 0.00 C ATOM 193 NH1 ARG A 16 11.202 13.628 -10.640 1.00 0.00 N ATOM 194 NH2 ARG A 16 13.011 12.527 -9.755 1.00 0.00 N ATOM 0 H ARG A 16 7.112 13.583 -6.186 1.00 0.00 H new ATOM 0 HA ARG A 16 8.789 11.181 -6.266 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.563 14.102 -6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.515 12.699 -7.031 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.812 13.056 -8.300 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.132 14.075 -8.839 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.984 11.044 -8.897 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.109 12.136 -10.261 1.00 0.00 H new ATOM 0 HE ARG A 16 11.293 11.165 -8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.192 13.748 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.832 14.237 -11.162 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.395 11.798 -9.154 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.637 13.138 -10.279 1.00 0.00 H new ATOM 208 N ASN A 17 9.011 13.561 -3.979 1.00 0.00 N ATOM 209 CA ASN A 17 9.494 13.851 -2.634 1.00 0.00 C ATOM 210 C ASN A 17 9.110 12.735 -1.667 1.00 0.00 C ATOM 211 O ASN A 17 9.670 12.627 -0.576 1.00 0.00 O ATOM 212 CB ASN A 17 8.928 15.184 -2.143 1.00 0.00 C ATOM 213 CG ASN A 17 9.792 16.363 -2.548 1.00 0.00 C ATOM 214 OD1 ASN A 17 10.767 16.694 -1.874 1.00 0.00 O ATOM 215 ND2 ASN A 17 9.435 17.004 -3.655 1.00 0.00 N ATOM 0 H ASN A 17 8.474 14.316 -4.406 1.00 0.00 H new ATOM 0 HA ASN A 17 10.581 13.918 -2.671 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.923 15.319 -2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.838 15.159 -1.057 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.977 17.806 -3.977 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.619 16.695 -4.183 1.00 0.00 H new ATOM 222 N GLU A 18 8.152 11.909 -2.075 1.00 0.00 N ATOM 223 CA GLU A 18 7.693 10.802 -1.244 1.00 0.00 C ATOM 224 C GLU A 18 8.490 9.534 -1.538 1.00 0.00 C ATOM 225 O GLU A 18 8.754 8.731 -0.642 1.00 0.00 O ATOM 226 CB GLU A 18 6.203 10.545 -1.474 1.00 0.00 C ATOM 227 CG GLU A 18 5.497 9.938 -0.273 1.00 0.00 C ATOM 228 CD GLU A 18 4.206 9.236 -0.649 1.00 0.00 C ATOM 229 OE1 GLU A 18 3.959 9.055 -1.859 1.00 0.00 O ATOM 230 OE2 GLU A 18 3.444 8.867 0.269 1.00 0.00 O ATOM 0 H GLU A 18 7.679 11.985 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 18 7.850 11.076 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.717 11.485 -1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.086 9.879 -2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.164 9.227 0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.282 10.723 0.452 1.00 0.00 H new ATOM 237 N LEU A 19 8.870 9.361 -2.799 1.00 0.00 N ATOM 238 CA LEU A 19 9.637 8.191 -3.213 1.00 0.00 C ATOM 239 C LEU A 19 11.014 8.182 -2.557 1.00 0.00 C ATOM 240 O LEU A 19 11.503 7.136 -2.132 1.00 0.00 O ATOM 241 CB LEU A 19 9.784 8.166 -4.735 1.00 0.00 C ATOM 242 CG LEU A 19 8.591 7.614 -5.516 1.00 0.00 C ATOM 243 CD1 LEU A 19 8.614 8.116 -6.951 1.00 0.00 C ATOM 244 CD2 LEU A 19 8.588 6.093 -5.481 1.00 0.00 C ATOM 0 H LEU A 19 8.660 10.016 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 19 9.097 7.301 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.978 9.182 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.663 7.572 -4.985 1.00 0.00 H new ATOM 0 HG LEU A 19 7.676 7.970 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.758 7.713 -7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.566 9.205 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.535 7.791 -7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.732 5.718 -6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.508 5.717 -5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.522 5.753 -4.448 1.00 0.00 H new ATOM 256 N GLU A 20 11.634 9.356 -2.477 1.00 0.00 N ATOM 257 CA GLU A 20 12.954 9.482 -1.872 1.00 0.00 C ATOM 258 C GLU A 20 12.939 8.994 -0.426 1.00 0.00 C ATOM 259 O GLU A 20 13.859 8.310 0.019 1.00 0.00 O ATOM 260 CB GLU A 20 13.427 10.937 -1.926 1.00 0.00 C ATOM 261 CG GLU A 20 14.856 11.130 -1.446 1.00 0.00 C ATOM 262 CD GLU A 20 15.206 12.590 -1.229 1.00 0.00 C ATOM 263 OE1 GLU A 20 15.458 13.293 -2.230 1.00 0.00 O ATOM 264 OE2 GLU A 20 15.228 13.028 -0.060 1.00 0.00 O ATOM 0 H GLU A 20 11.243 10.232 -2.823 1.00 0.00 H new ATOM 0 HA GLU A 20 13.647 8.861 -2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.345 11.299 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.762 11.549 -1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.999 10.583 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 20 15.542 10.700 -2.176 1.00 0.00 H new ATOM 271 N ALA A 21 11.886 9.353 0.302 1.00 0.00 N ATOM 272 CA ALA A 21 11.749 8.951 1.696 1.00 0.00 C ATOM 273 C ALA A 21 11.313 7.494 1.808 1.00 0.00 C ATOM 274 O ALA A 21 11.740 6.775 2.712 1.00 0.00 O ATOM 275 CB ALA A 21 10.758 9.857 2.412 1.00 0.00 C ATOM 0 H ALA A 21 11.116 9.921 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 21 12.724 9.048 2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.666 9.545 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.112 10.887 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.785 9.789 1.925 1.00 0.00 H new ATOM 281 N LEU A 22 10.460 7.065 0.884 1.00 0.00 N ATOM 282 CA LEU A 22 9.965 5.693 0.879 1.00 0.00 C ATOM 283 C LEU A 22 11.097 4.707 0.608 1.00 0.00 C ATOM 284 O LEU A 22 11.047 3.556 1.043 1.00 0.00 O ATOM 285 CB LEU A 22 8.868 5.530 -0.175 1.00 0.00 C ATOM 286 CG LEU A 22 7.507 6.133 0.174 1.00 0.00 C ATOM 287 CD1 LEU A 22 6.599 6.143 -1.046 1.00 0.00 C ATOM 288 CD2 LEU A 22 6.860 5.364 1.316 1.00 0.00 C ATOM 0 H LEU A 22 10.097 7.647 0.129 1.00 0.00 H new ATOM 0 HA LEU A 22 9.549 5.479 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.215 5.981 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.733 4.466 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 22 7.659 7.163 0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.635 6.576 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.057 6.738 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.453 5.122 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.892 5.807 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.721 4.324 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.503 5.409 2.195 1.00 0.00 H new ATOM 300 N GLU A 23 12.116 5.166 -0.111 1.00 0.00 N ATOM 301 CA GLU A 23 13.261 4.324 -0.438 1.00 0.00 C ATOM 302 C GLU A 23 14.001 3.898 0.827 1.00 0.00 C ATOM 303 O GLU A 23 14.514 2.782 0.912 1.00 0.00 O ATOM 304 CB GLU A 23 14.216 5.065 -1.376 1.00 0.00 C ATOM 305 CG GLU A 23 15.049 4.141 -2.250 1.00 0.00 C ATOM 306 CD GLU A 23 14.198 3.234 -3.117 1.00 0.00 C ATOM 307 OE1 GLU A 23 13.663 3.720 -4.136 1.00 0.00 O ATOM 308 OE2 GLU A 23 14.066 2.040 -2.778 1.00 0.00 O ATOM 0 H GLU A 23 12.172 6.116 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 23 12.891 3.430 -0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.639 5.733 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.884 5.689 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.701 4.739 -2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.694 3.532 -1.617 1.00 0.00 H new ATOM 315 N SER A 24 14.053 4.795 1.806 1.00 0.00 N ATOM 316 CA SER A 24 14.734 4.515 3.065 1.00 0.00 C ATOM 317 C SER A 24 13.884 3.612 3.953 1.00 0.00 C ATOM 318 O SER A 24 14.334 2.552 4.391 1.00 0.00 O ATOM 319 CB SER A 24 15.051 5.819 3.799 1.00 0.00 C ATOM 320 OG SER A 24 16.239 6.409 3.300 1.00 0.00 O ATOM 0 H SER A 24 13.632 5.722 1.752 1.00 0.00 H new ATOM 0 HA SER A 24 15.667 3.998 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.220 6.515 3.686 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.159 5.623 4.866 1.00 0.00 H new ATOM 0 HG SER A 24 16.419 7.242 3.784 1.00 0.00 H new ATOM 326 N ILE A 25 12.653 4.039 4.215 1.00 0.00 N ATOM 327 CA ILE A 25 11.739 3.269 5.049 1.00 0.00 C ATOM 328 C ILE A 25 11.534 1.866 4.490 1.00 0.00 C ATOM 329 O ILE A 25 11.268 0.922 5.235 1.00 0.00 O ATOM 330 CB ILE A 25 10.371 3.965 5.176 1.00 0.00 C ATOM 331 CG1 ILE A 25 10.524 5.317 5.875 1.00 0.00 C ATOM 332 CG2 ILE A 25 9.394 3.078 5.933 1.00 0.00 C ATOM 333 CD1 ILE A 25 9.487 6.335 5.457 1.00 0.00 C ATOM 0 H ILE A 25 12.266 4.914 3.862 1.00 0.00 H new ATOM 0 HA ILE A 25 12.195 3.200 6.037 1.00 0.00 H new ATOM 0 HB ILE A 25 9.974 4.138 4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.461 5.168 6.953 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.517 5.715 5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.432 3.584 6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.266 2.138 5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.784 2.876 6.931 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.657 7.269 5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.563 6.513 4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.492 5.958 5.692 1.00 0.00 H new ATOM 345 N TYR A 26 11.660 1.735 3.175 1.00 0.00 N ATOM 346 CA TYR A 26 11.488 0.446 2.515 1.00 0.00 C ATOM 347 C TYR A 26 12.619 0.185 1.524 1.00 0.00 C ATOM 348 O TYR A 26 12.489 0.411 0.321 1.00 0.00 O ATOM 349 CB TYR A 26 10.141 0.395 1.793 1.00 0.00 C ATOM 350 CG TYR A 26 8.966 0.753 2.676 1.00 0.00 C ATOM 351 CD1 TYR A 26 8.728 0.067 3.860 1.00 0.00 C ATOM 352 CD2 TYR A 26 8.096 1.777 2.325 1.00 0.00 C ATOM 353 CE1 TYR A 26 7.657 0.390 4.669 1.00 0.00 C ATOM 354 CE2 TYR A 26 7.022 2.108 3.129 1.00 0.00 C ATOM 355 CZ TYR A 26 6.806 1.411 4.300 1.00 0.00 C ATOM 356 OH TYR A 26 5.738 1.737 5.104 1.00 0.00 O ATOM 0 H TYR A 26 11.881 2.506 2.544 1.00 0.00 H new ATOM 0 HA TYR A 26 11.513 -0.331 3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 26 10.168 1.078 0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.991 -0.607 1.392 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.392 -0.733 4.153 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.262 2.324 1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.486 -0.154 5.586 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.355 2.908 2.842 1.00 0.00 H new ATOM 0 HH TYR A 26 5.239 2.478 4.701 1.00 0.00 H new ATOM 366 N PRO A 27 13.757 -0.302 2.041 1.00 0.00 N ATOM 367 CA PRO A 27 14.933 -0.605 1.221 1.00 0.00 C ATOM 368 C PRO A 27 14.712 -1.812 0.316 1.00 0.00 C ATOM 369 O PRO A 27 15.349 -1.940 -0.730 1.00 0.00 O ATOM 370 CB PRO A 27 16.020 -0.904 2.256 1.00 0.00 C ATOM 371 CG PRO A 27 15.277 -1.359 3.465 1.00 0.00 C ATOM 372 CD PRO A 27 13.982 -0.594 3.467 1.00 0.00 C ATOM 0 HA PRO A 27 15.182 0.214 0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 27 16.705 -1.673 1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 27 16.618 -0.018 2.469 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.096 -2.433 3.430 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.849 -1.161 4.372 1.00 0.00 H new ATOM 0 HD2 PRO A 27 13.168 -1.183 3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.055 0.319 4.058 1.00 0.00 H new ATOM 380 N ASP A 28 13.807 -2.694 0.724 1.00 0.00 N ATOM 381 CA ASP A 28 13.502 -3.891 -0.052 1.00 0.00 C ATOM 382 C ASP A 28 12.018 -3.948 -0.401 1.00 0.00 C ATOM 383 O ASP A 28 11.647 -3.992 -1.574 1.00 0.00 O ATOM 384 CB ASP A 28 13.904 -5.145 0.726 1.00 0.00 C ATOM 385 CG ASP A 28 15.386 -5.446 0.614 1.00 0.00 C ATOM 386 OD1 ASP A 28 15.985 -5.097 -0.426 1.00 0.00 O ATOM 387 OD2 ASP A 28 15.946 -6.028 1.565 1.00 0.00 O ATOM 0 H ASP A 28 13.272 -2.603 1.587 1.00 0.00 H new ATOM 0 HA ASP A 28 14.074 -3.849 -0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.640 -5.018 1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.334 -5.997 0.355 1.00 0.00 H new ATOM 392 N SER A 29 11.173 -3.949 0.626 1.00 0.00 N ATOM 393 CA SER A 29 9.730 -4.005 0.427 1.00 0.00 C ATOM 394 C SER A 29 9.311 -3.148 -0.763 1.00 0.00 C ATOM 395 O SER A 29 8.309 -3.428 -1.422 1.00 0.00 O ATOM 396 CB SER A 29 9.002 -3.538 1.689 1.00 0.00 C ATOM 397 OG SER A 29 8.968 -4.562 2.668 1.00 0.00 O ATOM 0 H SER A 29 11.463 -3.912 1.603 1.00 0.00 H new ATOM 0 HA SER A 29 9.457 -5.040 0.220 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.501 -2.658 2.096 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.985 -3.239 1.436 1.00 0.00 H new ATOM 0 HG SER A 29 8.050 -4.892 2.765 1.00 0.00 H new ATOM 403 N PHE A 30 10.085 -2.102 -1.032 1.00 0.00 N ATOM 404 CA PHE A 30 9.794 -1.202 -2.142 1.00 0.00 C ATOM 405 C PHE A 30 10.496 -1.665 -3.416 1.00 0.00 C ATOM 406 O PHE A 30 11.651 -1.319 -3.664 1.00 0.00 O ATOM 407 CB PHE A 30 10.229 0.224 -1.797 1.00 0.00 C ATOM 408 CG PHE A 30 10.086 1.188 -2.940 1.00 0.00 C ATOM 409 CD1 PHE A 30 8.875 1.813 -3.190 1.00 0.00 C ATOM 410 CD2 PHE A 30 11.163 1.468 -3.766 1.00 0.00 C ATOM 411 CE1 PHE A 30 8.741 2.699 -4.242 1.00 0.00 C ATOM 412 CE2 PHE A 30 11.035 2.354 -4.819 1.00 0.00 C ATOM 413 CZ PHE A 30 9.823 2.971 -5.057 1.00 0.00 C ATOM 0 H PHE A 30 10.918 -1.857 -0.497 1.00 0.00 H new ATOM 0 HA PHE A 30 8.718 -1.215 -2.315 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.637 0.582 -0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.270 0.209 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.026 1.605 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.113 0.988 -3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.791 3.179 -4.427 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.882 2.564 -5.455 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.721 3.665 -5.878 1.00 0.00 H new ATOM 423 N THR A 31 9.789 -2.452 -4.221 1.00 0.00 N ATOM 424 CA THR A 31 10.342 -2.964 -5.468 1.00 0.00 C ATOM 425 C THR A 31 9.691 -2.298 -6.674 1.00 0.00 C ATOM 426 O THR A 31 8.512 -2.514 -6.954 1.00 0.00 O ATOM 427 CB THR A 31 10.160 -4.490 -5.578 1.00 0.00 C ATOM 428 OG1 THR A 31 10.757 -5.137 -4.449 1.00 0.00 O ATOM 429 CG2 THR A 31 10.784 -5.018 -6.861 1.00 0.00 C ATOM 0 H THR A 31 8.832 -2.749 -4.031 1.00 0.00 H new ATOM 0 HA THR A 31 11.407 -2.731 -5.460 1.00 0.00 H new ATOM 0 HB THR A 31 9.092 -4.706 -5.597 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.636 -6.106 -4.526 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.643 -6.097 -6.917 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.307 -4.545 -7.719 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.850 -4.790 -6.868 1.00 0.00 H new ATOM 437 N VAL A 32 10.466 -1.486 -7.386 1.00 0.00 N ATOM 438 CA VAL A 32 9.964 -0.789 -8.564 1.00 0.00 C ATOM 439 C VAL A 32 9.658 -1.767 -9.693 1.00 0.00 C ATOM 440 O VAL A 32 10.475 -2.628 -10.022 1.00 0.00 O ATOM 441 CB VAL A 32 10.974 0.260 -9.068 1.00 0.00 C ATOM 442 CG1 VAL A 32 10.371 1.083 -10.196 1.00 0.00 C ATOM 443 CG2 VAL A 32 11.425 1.157 -7.925 1.00 0.00 C ATOM 0 H VAL A 32 11.444 -1.295 -7.168 1.00 0.00 H new ATOM 0 HA VAL A 32 9.045 -0.284 -8.266 1.00 0.00 H new ATOM 0 HB VAL A 32 11.849 -0.261 -9.458 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.099 1.818 -10.539 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.102 0.425 -11.023 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.479 1.596 -9.836 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.138 1.892 -8.299 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.561 1.671 -7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.899 0.551 -7.153 1.00 0.00 H new ATOM 453 N LEU A 33 8.476 -1.628 -10.284 1.00 0.00 N ATOM 454 CA LEU A 33 8.061 -2.500 -11.378 1.00 0.00 C ATOM 455 C LEU A 33 8.489 -1.925 -12.724 1.00 0.00 C ATOM 456 O LEU A 33 9.049 -2.632 -13.562 1.00 0.00 O ATOM 457 CB LEU A 33 6.544 -2.695 -11.353 1.00 0.00 C ATOM 458 CG LEU A 33 6.031 -3.861 -10.507 1.00 0.00 C ATOM 459 CD1 LEU A 33 4.551 -4.097 -10.764 1.00 0.00 C ATOM 460 CD2 LEU A 33 6.832 -5.122 -10.796 1.00 0.00 C ATOM 0 H LEU A 33 7.789 -0.921 -10.024 1.00 0.00 H new ATOM 0 HA LEU A 33 8.548 -3.466 -11.245 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.086 -1.777 -10.986 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.199 -2.836 -12.377 1.00 0.00 H new ATOM 0 HG LEU A 33 6.159 -3.606 -9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.204 -4.930 -10.153 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.989 -3.199 -10.506 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.397 -4.331 -11.818 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.453 -5.942 -10.185 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.736 -5.381 -11.850 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.882 -4.948 -10.560 1.00 0.00 H new ATOM 472 N SER A 34 8.224 -0.638 -12.924 1.00 0.00 N ATOM 473 CA SER A 34 8.581 0.032 -14.169 1.00 0.00 C ATOM 474 C SER A 34 8.986 1.479 -13.911 1.00 0.00 C ATOM 475 O SER A 34 8.305 2.205 -13.187 1.00 0.00 O ATOM 476 CB SER A 34 7.408 -0.014 -15.151 1.00 0.00 C ATOM 477 OG SER A 34 6.201 0.379 -14.522 1.00 0.00 O ATOM 0 H SER A 34 7.763 -0.038 -12.240 1.00 0.00 H new ATOM 0 HA SER A 34 9.432 -0.492 -14.604 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.612 0.643 -15.997 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.302 -1.023 -15.549 1.00 0.00 H new ATOM 0 HG SER A 34 6.232 1.339 -14.325 1.00 0.00 H new ATOM 483 N GLU A 35 10.100 1.891 -14.508 1.00 0.00 N ATOM 484 CA GLU A 35 10.597 3.252 -14.342 1.00 0.00 C ATOM 485 C GLU A 35 9.550 4.271 -14.783 1.00 0.00 C ATOM 486 O GLU A 35 9.426 5.344 -14.194 1.00 0.00 O ATOM 487 CB GLU A 35 11.886 3.449 -15.143 1.00 0.00 C ATOM 488 CG GLU A 35 13.057 2.634 -14.621 1.00 0.00 C ATOM 489 CD GLU A 35 13.592 3.159 -13.303 1.00 0.00 C ATOM 490 OE1 GLU A 35 12.926 2.951 -12.267 1.00 0.00 O ATOM 491 OE2 GLU A 35 14.676 3.779 -13.307 1.00 0.00 O ATOM 0 H GLU A 35 10.675 1.302 -15.111 1.00 0.00 H new ATOM 0 HA GLU A 35 10.808 3.408 -13.284 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.702 3.180 -16.183 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.155 4.505 -15.129 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.746 1.597 -14.495 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.857 2.639 -15.361 1.00 0.00 H new ATOM 498 N ASN A 36 8.800 3.927 -15.825 1.00 0.00 N ATOM 499 CA ASN A 36 7.764 4.811 -16.346 1.00 0.00 C ATOM 500 C ASN A 36 6.622 4.009 -16.961 1.00 0.00 C ATOM 501 O ASN A 36 6.812 3.221 -17.888 1.00 0.00 O ATOM 502 CB ASN A 36 8.354 5.762 -17.390 1.00 0.00 C ATOM 503 CG ASN A 36 7.288 6.404 -18.256 1.00 0.00 C ATOM 504 OD1 ASN A 36 6.303 6.943 -17.750 1.00 0.00 O ATOM 505 ND2 ASN A 36 7.479 6.350 -19.569 1.00 0.00 N ATOM 0 H ASN A 36 8.890 3.043 -16.325 1.00 0.00 H new ATOM 0 HA ASN A 36 7.368 5.394 -15.515 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.926 6.541 -16.886 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.051 5.214 -18.024 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.795 6.765 -20.201 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.310 5.893 -19.945 1.00 0.00 H new ATOM 512 N PRO A 37 5.405 4.212 -16.434 1.00 0.00 N ATOM 513 CA PRO A 37 5.167 5.146 -15.330 1.00 0.00 C ATOM 514 C PRO A 37 5.761 4.654 -14.016 1.00 0.00 C ATOM 515 O PRO A 37 6.149 3.494 -13.878 1.00 0.00 O ATOM 516 CB PRO A 37 3.640 5.204 -15.238 1.00 0.00 C ATOM 517 CG PRO A 37 3.177 3.906 -15.805 1.00 0.00 C ATOM 518 CD PRO A 37 4.169 3.544 -16.876 1.00 0.00 C ATOM 0 HA PRO A 37 5.635 6.114 -15.508 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.310 5.326 -14.206 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.241 6.047 -15.802 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.136 3.136 -15.035 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.172 3.997 -16.218 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.301 2.465 -16.954 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.849 3.897 -17.856 1.00 0.00 H new ATOM 526 N PRO A 38 5.835 5.555 -13.025 1.00 0.00 N ATOM 527 CA PRO A 38 6.381 5.234 -11.702 1.00 0.00 C ATOM 528 C PRO A 38 5.475 4.295 -10.913 1.00 0.00 C ATOM 529 O PRO A 38 4.684 4.736 -10.079 1.00 0.00 O ATOM 530 CB PRO A 38 6.467 6.598 -11.014 1.00 0.00 C ATOM 531 CG PRO A 38 5.435 7.431 -11.693 1.00 0.00 C ATOM 532 CD PRO A 38 5.392 6.956 -13.118 1.00 0.00 C ATOM 0 HA PRO A 38 7.337 4.715 -11.770 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.269 6.515 -9.945 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.460 7.033 -11.121 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.463 7.315 -11.214 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.692 8.489 -11.642 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.389 7.033 -13.537 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.050 7.544 -13.757 1.00 0.00 H new ATOM 540 N SER A 39 5.595 2.999 -11.182 1.00 0.00 N ATOM 541 CA SER A 39 4.784 1.998 -10.499 1.00 0.00 C ATOM 542 C SER A 39 5.659 1.066 -9.667 1.00 0.00 C ATOM 543 O SER A 39 6.627 0.494 -10.167 1.00 0.00 O ATOM 544 CB SER A 39 3.976 1.187 -11.514 1.00 0.00 C ATOM 545 OG SER A 39 2.788 0.679 -10.931 1.00 0.00 O ATOM 0 H SER A 39 6.246 2.617 -11.868 1.00 0.00 H new ATOM 0 HA SER A 39 4.097 2.517 -9.830 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.726 1.815 -12.369 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.582 0.363 -11.890 1.00 0.00 H new ATOM 0 HG SER A 39 3.004 0.229 -10.088 1.00 0.00 H new ATOM 551 N PHE A 40 5.310 0.918 -8.393 1.00 0.00 N ATOM 552 CA PHE A 40 6.063 0.056 -7.489 1.00 0.00 C ATOM 553 C PHE A 40 5.122 -0.779 -6.624 1.00 0.00 C ATOM 554 O PHE A 40 3.907 -0.582 -6.639 1.00 0.00 O ATOM 555 CB PHE A 40 6.983 0.894 -6.599 1.00 0.00 C ATOM 556 CG PHE A 40 6.244 1.840 -5.696 1.00 0.00 C ATOM 557 CD1 PHE A 40 5.935 3.123 -6.118 1.00 0.00 C ATOM 558 CD2 PHE A 40 5.860 1.446 -4.424 1.00 0.00 C ATOM 559 CE1 PHE A 40 5.255 3.995 -5.289 1.00 0.00 C ATOM 560 CE2 PHE A 40 5.180 2.314 -3.591 1.00 0.00 C ATOM 561 CZ PHE A 40 4.878 3.591 -4.023 1.00 0.00 C ATOM 0 H PHE A 40 4.511 1.384 -7.963 1.00 0.00 H new ATOM 0 HA PHE A 40 6.669 -0.620 -8.092 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.594 0.227 -5.991 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.665 1.464 -7.230 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.229 3.445 -7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.095 0.450 -4.080 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.018 4.992 -5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.885 1.994 -2.603 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.349 4.272 -3.373 1.00 0.00 H new ATOM 571 N THR A 41 5.694 -1.714 -5.871 1.00 0.00 N ATOM 572 CA THR A 41 4.909 -2.580 -5.002 1.00 0.00 C ATOM 573 C THR A 41 5.525 -2.666 -3.610 1.00 0.00 C ATOM 574 O THR A 41 6.748 -2.683 -3.462 1.00 0.00 O ATOM 575 CB THR A 41 4.787 -4.000 -5.585 1.00 0.00 C ATOM 576 OG1 THR A 41 6.079 -4.613 -5.657 1.00 0.00 O ATOM 577 CG2 THR A 41 4.160 -3.964 -6.971 1.00 0.00 C ATOM 0 H THR A 41 6.698 -1.890 -5.846 1.00 0.00 H new ATOM 0 HA THR A 41 3.915 -2.138 -4.930 1.00 0.00 H new ATOM 0 HB THR A 41 4.144 -4.585 -4.927 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.992 -5.516 -6.027 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.084 -4.978 -7.362 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.165 -3.524 -6.909 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.781 -3.364 -7.636 1.00 0.00 H new ATOM 585 N ILE A 42 4.672 -2.720 -2.593 1.00 0.00 N ATOM 586 CA ILE A 42 5.134 -2.806 -1.213 1.00 0.00 C ATOM 587 C ILE A 42 4.784 -4.158 -0.599 1.00 0.00 C ATOM 588 O ILE A 42 3.634 -4.594 -0.644 1.00 0.00 O ATOM 589 CB ILE A 42 4.526 -1.689 -0.345 1.00 0.00 C ATOM 590 CG1 ILE A 42 4.778 -0.322 -0.985 1.00 0.00 C ATOM 591 CG2 ILE A 42 5.105 -1.736 1.061 1.00 0.00 C ATOM 592 CD1 ILE A 42 6.240 0.065 -1.027 1.00 0.00 C ATOM 0 H ILE A 42 3.658 -2.706 -2.698 1.00 0.00 H new ATOM 0 HA ILE A 42 6.217 -2.689 -1.236 1.00 0.00 H new ATOM 0 HB ILE A 42 3.449 -1.846 -0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.382 -0.327 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.225 0.437 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.665 -0.940 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.880 -2.701 1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.186 -1.601 1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.344 1.045 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.636 0.102 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.795 -0.673 -1.606 1.00 0.00 H new ATOM 604 N THR A 43 5.785 -4.818 -0.024 1.00 0.00 N ATOM 605 CA THR A 43 5.585 -6.120 0.599 1.00 0.00 C ATOM 606 C THR A 43 5.368 -5.982 2.102 1.00 0.00 C ATOM 607 O THR A 43 6.196 -5.407 2.808 1.00 0.00 O ATOM 608 CB THR A 43 6.783 -7.054 0.348 1.00 0.00 C ATOM 609 OG1 THR A 43 7.039 -7.155 -1.058 1.00 0.00 O ATOM 610 CG2 THR A 43 6.520 -8.438 0.922 1.00 0.00 C ATOM 0 H THR A 43 6.743 -4.471 0.023 1.00 0.00 H new ATOM 0 HA THR A 43 4.695 -6.555 0.144 1.00 0.00 H new ATOM 0 HB THR A 43 7.656 -6.632 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.803 -7.749 -1.209 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.380 -9.080 0.732 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.355 -8.361 1.997 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.636 -8.866 0.449 1.00 0.00 H new ATOM 618 N VAL A 44 4.251 -6.515 2.585 1.00 0.00 N ATOM 619 CA VAL A 44 3.926 -6.453 4.006 1.00 0.00 C ATOM 620 C VAL A 44 3.600 -7.837 4.556 1.00 0.00 C ATOM 621 O VAL A 44 2.774 -8.560 3.998 1.00 0.00 O ATOM 622 CB VAL A 44 2.734 -5.514 4.269 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.482 -5.376 5.763 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.978 -4.153 3.633 1.00 0.00 C ATOM 0 H VAL A 44 3.555 -6.995 2.014 1.00 0.00 H new ATOM 0 HA VAL A 44 4.806 -6.061 4.515 1.00 0.00 H new ATOM 0 HB VAL A 44 1.844 -5.948 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.636 -4.709 5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.260 -6.356 6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.369 -4.965 6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.126 -3.502 3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.879 -3.709 4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.104 -4.272 2.557 1.00 0.00 H new ATOM 634 N THR A 45 4.254 -8.200 5.654 1.00 0.00 N ATOM 635 CA THR A 45 4.035 -9.498 6.280 1.00 0.00 C ATOM 636 C THR A 45 3.367 -9.346 7.642 1.00 0.00 C ATOM 637 O THR A 45 3.646 -8.400 8.379 1.00 0.00 O ATOM 638 CB THR A 45 5.357 -10.269 6.453 1.00 0.00 C ATOM 639 OG1 THR A 45 6.017 -10.399 5.189 1.00 0.00 O ATOM 640 CG2 THR A 45 5.105 -11.649 7.043 1.00 0.00 C ATOM 0 H THR A 45 4.940 -7.613 6.129 1.00 0.00 H new ATOM 0 HA THR A 45 3.379 -10.061 5.617 1.00 0.00 H new ATOM 0 HB THR A 45 5.992 -9.708 7.138 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.857 -10.889 5.308 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.053 -12.175 7.156 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.628 -11.546 8.018 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.453 -12.215 6.378 1.00 0.00 H new ATOM 648 N SER A 46 2.483 -10.283 7.971 1.00 0.00 N ATOM 649 CA SER A 46 1.773 -10.251 9.244 1.00 0.00 C ATOM 650 C SER A 46 2.621 -10.862 10.355 1.00 0.00 C ATOM 651 O SER A 46 3.631 -11.514 10.092 1.00 0.00 O ATOM 652 CB SER A 46 0.444 -11.000 9.130 1.00 0.00 C ATOM 653 OG SER A 46 0.653 -12.400 9.055 1.00 0.00 O ATOM 0 H SER A 46 2.242 -11.074 7.373 1.00 0.00 H new ATOM 0 HA SER A 46 1.574 -9.209 9.495 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.183 -10.768 9.991 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.093 -10.661 8.244 1.00 0.00 H new ATOM 0 HG SER A 46 0.831 -12.753 9.952 1.00 0.00 H new ATOM 659 N GLU A 47 2.202 -10.646 11.598 1.00 0.00 N ATOM 660 CA GLU A 47 2.923 -11.175 12.750 1.00 0.00 C ATOM 661 C GLU A 47 2.717 -12.681 12.876 1.00 0.00 C ATOM 662 O GLU A 47 1.599 -13.179 12.742 1.00 0.00 O ATOM 663 CB GLU A 47 2.464 -10.477 14.032 1.00 0.00 C ATOM 664 CG GLU A 47 2.341 -8.969 13.893 1.00 0.00 C ATOM 665 CD GLU A 47 2.022 -8.286 15.209 1.00 0.00 C ATOM 666 OE1 GLU A 47 0.897 -8.474 15.718 1.00 0.00 O ATOM 667 OE2 GLU A 47 2.897 -7.563 15.729 1.00 0.00 O ATOM 0 H GLU A 47 1.367 -10.109 11.833 1.00 0.00 H new ATOM 0 HA GLU A 47 3.985 -10.982 12.601 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.499 -10.886 14.333 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.169 -10.703 14.832 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.273 -8.567 13.496 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.560 -8.737 13.169 1.00 0.00 H new ATOM 674 N ALA A 48 3.803 -13.402 13.134 1.00 0.00 N ATOM 675 CA ALA A 48 3.742 -14.851 13.280 1.00 0.00 C ATOM 676 C ALA A 48 2.739 -15.252 14.356 1.00 0.00 C ATOM 677 O ALA A 48 2.831 -14.811 15.501 1.00 0.00 O ATOM 678 CB ALA A 48 5.120 -15.407 13.607 1.00 0.00 C ATOM 0 H ALA A 48 4.736 -13.006 13.246 1.00 0.00 H new ATOM 0 HA ALA A 48 3.407 -15.273 12.332 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.059 -16.490 13.713 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.813 -15.159 12.802 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.477 -14.970 14.540 1.00 0.00 H new ATOM 684 N GLY A 49 1.779 -16.093 13.980 1.00 0.00 N ATOM 685 CA GLY A 49 0.772 -16.539 14.925 1.00 0.00 C ATOM 686 C GLY A 49 1.246 -17.704 15.771 1.00 0.00 C ATOM 687 O GLY A 49 2.429 -17.801 16.096 1.00 0.00 O ATOM 0 H GLY A 49 1.681 -16.473 13.038 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.497 -15.709 15.576 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.127 -16.830 14.382 1.00 0.00 H new ATOM 691 N GLU A 50 0.321 -18.588 16.129 1.00 0.00 N ATOM 692 CA GLU A 50 0.651 -19.751 16.945 1.00 0.00 C ATOM 693 C GLU A 50 1.703 -20.617 16.257 1.00 0.00 C ATOM 694 O GLU A 50 2.789 -20.834 16.792 1.00 0.00 O ATOM 695 CB GLU A 50 -0.604 -20.579 17.224 1.00 0.00 C ATOM 696 CG GLU A 50 -0.320 -21.899 17.922 1.00 0.00 C ATOM 697 CD GLU A 50 -1.546 -22.474 18.604 1.00 0.00 C ATOM 698 OE1 GLU A 50 -1.841 -22.056 19.744 1.00 0.00 O ATOM 699 OE2 GLU A 50 -2.210 -23.342 18.000 1.00 0.00 O ATOM 0 H GLU A 50 -0.663 -18.522 15.867 1.00 0.00 H new ATOM 0 HA GLU A 50 1.060 -19.395 17.891 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.287 -19.992 17.838 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.114 -20.778 16.282 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.056 -22.617 17.194 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.467 -21.753 18.661 1.00 0.00 H new ATOM 706 N ASN A 51 1.370 -21.109 15.068 1.00 0.00 N ATOM 707 CA ASN A 51 2.285 -21.952 14.307 1.00 0.00 C ATOM 708 C ASN A 51 3.124 -21.116 13.347 1.00 0.00 C ATOM 709 O ASN A 51 3.393 -21.529 12.219 1.00 0.00 O ATOM 710 CB ASN A 51 1.504 -23.013 13.528 1.00 0.00 C ATOM 711 CG ASN A 51 0.639 -23.872 14.430 1.00 0.00 C ATOM 712 OD1 ASN A 51 -0.589 -23.822 14.362 1.00 0.00 O ATOM 713 ND2 ASN A 51 1.278 -24.667 15.281 1.00 0.00 N ATOM 0 H ASN A 51 0.474 -20.939 14.611 1.00 0.00 H new ATOM 0 HA ASN A 51 2.955 -22.446 15.011 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.875 -22.524 12.784 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.203 -23.650 12.986 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.749 -25.268 15.912 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.298 -24.676 15.303 1.00 0.00 H new ATOM 720 N ASP A 52 3.537 -19.938 13.803 1.00 0.00 N ATOM 721 CA ASP A 52 4.348 -19.043 12.985 1.00 0.00 C ATOM 722 C ASP A 52 3.602 -18.640 11.717 1.00 0.00 C ATOM 723 O ASP A 52 4.217 -18.321 10.700 1.00 0.00 O ATOM 724 CB ASP A 52 5.674 -19.712 12.621 1.00 0.00 C ATOM 725 CG ASP A 52 6.748 -18.707 12.255 1.00 0.00 C ATOM 726 OD1 ASP A 52 6.442 -17.758 11.502 1.00 0.00 O ATOM 727 OD2 ASP A 52 7.895 -18.868 12.721 1.00 0.00 O ATOM 0 H ASP A 52 3.324 -19.581 14.734 1.00 0.00 H new ATOM 0 HA ASP A 52 4.551 -18.144 13.566 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.016 -20.315 13.462 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.517 -20.392 11.784 1.00 0.00 H new ATOM 732 N GLU A 53 2.275 -18.658 11.786 1.00 0.00 N ATOM 733 CA GLU A 53 1.446 -18.296 10.642 1.00 0.00 C ATOM 734 C GLU A 53 1.727 -16.863 10.198 1.00 0.00 C ATOM 735 O GLU A 53 1.598 -15.922 10.981 1.00 0.00 O ATOM 736 CB GLU A 53 -0.036 -18.453 10.988 1.00 0.00 C ATOM 737 CG GLU A 53 -0.504 -19.898 11.019 1.00 0.00 C ATOM 738 CD GLU A 53 -1.844 -20.063 11.710 1.00 0.00 C ATOM 739 OE1 GLU A 53 -2.820 -19.420 11.270 1.00 0.00 O ATOM 740 OE2 GLU A 53 -1.917 -20.834 12.689 1.00 0.00 O ATOM 0 H GLU A 53 1.751 -18.919 12.621 1.00 0.00 H new ATOM 0 HA GLU A 53 1.693 -18.968 9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.223 -17.998 11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.631 -17.903 10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.577 -20.274 9.999 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.242 -20.507 11.531 1.00 0.00 H new ATOM 747 N THR A 54 2.112 -16.706 8.936 1.00 0.00 N ATOM 748 CA THR A 54 2.414 -15.390 8.387 1.00 0.00 C ATOM 749 C THR A 54 1.787 -15.212 7.009 1.00 0.00 C ATOM 750 O THR A 54 1.905 -16.081 6.145 1.00 0.00 O ATOM 751 CB THR A 54 3.933 -15.160 8.281 1.00 0.00 C ATOM 752 OG1 THR A 54 4.569 -16.326 7.746 1.00 0.00 O ATOM 753 CG2 THR A 54 4.527 -14.832 9.642 1.00 0.00 C ATOM 0 H THR A 54 2.222 -17.474 8.274 1.00 0.00 H new ATOM 0 HA THR A 54 1.990 -14.657 9.073 1.00 0.00 H new ATOM 0 HB THR A 54 4.104 -14.315 7.614 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.005 -16.714 7.045 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.601 -14.674 9.542 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.062 -13.927 10.034 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.345 -15.660 10.328 1.00 0.00 H new ATOM 761 N VAL A 55 1.120 -14.080 6.808 1.00 0.00 N ATOM 762 CA VAL A 55 0.476 -13.787 5.534 1.00 0.00 C ATOM 763 C VAL A 55 1.156 -12.618 4.829 1.00 0.00 C ATOM 764 O VAL A 55 1.690 -11.718 5.476 1.00 0.00 O ATOM 765 CB VAL A 55 -1.017 -13.460 5.721 1.00 0.00 C ATOM 766 CG1 VAL A 55 -1.731 -14.605 6.424 1.00 0.00 C ATOM 767 CG2 VAL A 55 -1.184 -12.161 6.497 1.00 0.00 C ATOM 0 H VAL A 55 1.012 -13.350 7.512 1.00 0.00 H new ATOM 0 HA VAL A 55 0.570 -14.683 4.920 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.469 -13.331 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.785 -14.356 6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.640 -15.512 5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.280 -14.769 7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.245 -11.945 6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.718 -12.260 7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.709 -11.347 5.950 1.00 0.00 H new ATOM 777 N GLN A 56 1.133 -12.640 3.501 1.00 0.00 N ATOM 778 CA GLN A 56 1.748 -11.582 2.709 1.00 0.00 C ATOM 779 C GLN A 56 0.871 -11.215 1.516 1.00 0.00 C ATOM 780 O GLN A 56 0.181 -12.065 0.953 1.00 0.00 O ATOM 781 CB GLN A 56 3.132 -12.018 2.224 1.00 0.00 C ATOM 782 CG GLN A 56 4.031 -10.858 1.829 1.00 0.00 C ATOM 783 CD GLN A 56 5.454 -11.294 1.541 1.00 0.00 C ATOM 784 OE1 GLN A 56 5.919 -11.222 0.403 1.00 0.00 O ATOM 785 NE2 GLN A 56 6.154 -11.750 2.574 1.00 0.00 N ATOM 0 H GLN A 56 0.695 -13.379 2.951 1.00 0.00 H new ATOM 0 HA GLN A 56 1.853 -10.702 3.344 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.619 -12.593 3.011 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.015 -12.684 1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.619 -10.369 0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.037 -10.119 2.630 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.728 -11.792 3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.117 -12.058 2.441 1.00 0.00 H new ATOM 794 N THR A 57 0.901 -9.941 1.135 1.00 0.00 N ATOM 795 CA THR A 57 0.108 -9.461 0.011 1.00 0.00 C ATOM 796 C THR A 57 0.830 -8.343 -0.733 1.00 0.00 C ATOM 797 O THR A 57 1.038 -7.256 -0.194 1.00 0.00 O ATOM 798 CB THR A 57 -1.269 -8.948 0.473 1.00 0.00 C ATOM 799 OG1 THR A 57 -2.097 -8.677 -0.663 1.00 0.00 O ATOM 800 CG2 THR A 57 -1.123 -7.688 1.313 1.00 0.00 C ATOM 0 H THR A 57 1.466 -9.224 1.589 1.00 0.00 H new ATOM 0 HA THR A 57 -0.034 -10.308 -0.660 1.00 0.00 H new ATOM 0 HB THR A 57 -1.734 -9.721 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.971 -8.353 -0.361 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.108 -7.344 1.628 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.516 -7.905 2.192 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.639 -6.910 0.722 1.00 0.00 H new ATOM 808 N THR A 58 1.211 -8.617 -1.977 1.00 0.00 N ATOM 809 CA THR A 58 1.911 -7.635 -2.796 1.00 0.00 C ATOM 810 C THR A 58 0.983 -6.496 -3.201 1.00 0.00 C ATOM 811 O THR A 58 0.141 -6.652 -4.087 1.00 0.00 O ATOM 812 CB THR A 58 2.500 -8.279 -4.065 1.00 0.00 C ATOM 813 OG1 THR A 58 3.345 -9.379 -3.710 1.00 0.00 O ATOM 814 CG2 THR A 58 3.294 -7.261 -4.869 1.00 0.00 C ATOM 0 H THR A 58 1.046 -9.511 -2.439 1.00 0.00 H new ATOM 0 HA THR A 58 2.724 -7.239 -2.188 1.00 0.00 H new ATOM 0 HB THR A 58 1.675 -8.640 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.896 -10.221 -3.931 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.700 -7.739 -5.761 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.640 -6.440 -5.163 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.111 -6.874 -4.260 1.00 0.00 H new ATOM 822 N LEU A 59 1.140 -5.350 -2.549 1.00 0.00 N ATOM 823 CA LEU A 59 0.316 -4.182 -2.842 1.00 0.00 C ATOM 824 C LEU A 59 0.979 -3.298 -3.894 1.00 0.00 C ATOM 825 O LEU A 59 2.011 -2.678 -3.638 1.00 0.00 O ATOM 826 CB LEU A 59 0.066 -3.377 -1.566 1.00 0.00 C ATOM 827 CG LEU A 59 -0.539 -4.148 -0.393 1.00 0.00 C ATOM 828 CD1 LEU A 59 -0.497 -3.311 0.876 1.00 0.00 C ATOM 829 CD2 LEU A 59 -1.967 -4.568 -0.710 1.00 0.00 C ATOM 0 H LEU A 59 1.831 -5.204 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.638 -4.531 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.013 -2.946 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.596 -2.546 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 59 0.055 -5.047 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.932 -3.877 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.537 -3.062 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.066 -2.394 0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.382 -5.116 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.573 -3.682 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.971 -5.207 -1.593 1.00 0.00 H new ATOM 841 N LYS A 60 0.377 -3.243 -5.077 1.00 0.00 N ATOM 842 CA LYS A 60 0.906 -2.432 -6.167 1.00 0.00 C ATOM 843 C LYS A 60 0.256 -1.052 -6.183 1.00 0.00 C ATOM 844 O LYS A 60 -0.969 -0.932 -6.214 1.00 0.00 O ATOM 845 CB LYS A 60 0.675 -3.132 -7.509 1.00 0.00 C ATOM 846 CG LYS A 60 1.198 -2.349 -8.701 1.00 0.00 C ATOM 847 CD LYS A 60 0.494 -2.752 -9.985 1.00 0.00 C ATOM 848 CE LYS A 60 1.150 -2.120 -11.203 1.00 0.00 C ATOM 849 NZ LYS A 60 0.245 -2.125 -12.386 1.00 0.00 N ATOM 0 H LYS A 60 -0.478 -3.751 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 60 1.977 -2.308 -6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.157 -4.109 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.393 -3.306 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.057 -1.282 -8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.270 -2.516 -8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.510 -3.837 -10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.553 -2.451 -9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.437 -1.095 -10.970 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.065 -2.660 -11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.729 -1.686 -13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.009 -3.105 -12.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.618 -1.588 -12.165 1.00 0.00 H new ATOM 863 N PHE A 61 1.085 -0.013 -6.165 1.00 0.00 N ATOM 864 CA PHE A 61 0.591 1.359 -6.178 1.00 0.00 C ATOM 865 C PHE A 61 1.127 2.119 -7.387 1.00 0.00 C ATOM 866 O PHE A 61 2.291 1.973 -7.761 1.00 0.00 O ATOM 867 CB PHE A 61 0.991 2.080 -4.889 1.00 0.00 C ATOM 868 CG PHE A 61 0.623 1.329 -3.642 1.00 0.00 C ATOM 869 CD1 PHE A 61 -0.695 1.266 -3.219 1.00 0.00 C ATOM 870 CD2 PHE A 61 1.595 0.685 -2.892 1.00 0.00 C ATOM 871 CE1 PHE A 61 -1.037 0.575 -2.072 1.00 0.00 C ATOM 872 CE2 PHE A 61 1.258 -0.008 -1.745 1.00 0.00 C ATOM 873 CZ PHE A 61 -0.059 -0.062 -1.333 1.00 0.00 C ATOM 0 H PHE A 61 2.101 -0.095 -6.141 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.496 1.326 -6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.068 2.250 -4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.514 3.060 -4.867 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.464 1.763 -3.792 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.627 0.725 -3.208 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.068 0.533 -1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.024 -0.507 -1.171 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.324 -0.601 -0.435 1.00 0.00 H new ATOM 883 N THR A 62 0.269 2.931 -7.997 1.00 0.00 N ATOM 884 CA THR A 62 0.654 3.713 -9.165 1.00 0.00 C ATOM 885 C THR A 62 0.330 5.189 -8.970 1.00 0.00 C ATOM 886 O THR A 62 -0.791 5.546 -8.607 1.00 0.00 O ATOM 887 CB THR A 62 -0.052 3.207 -10.437 1.00 0.00 C ATOM 888 OG1 THR A 62 0.074 1.784 -10.535 1.00 0.00 O ATOM 889 CG2 THR A 62 0.537 3.860 -11.678 1.00 0.00 C ATOM 0 H THR A 62 -0.698 3.064 -7.701 1.00 0.00 H new ATOM 0 HA THR A 62 1.731 3.594 -9.284 1.00 0.00 H new ATOM 0 HB THR A 62 -1.107 3.474 -10.371 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.016 1.547 -10.665 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.023 3.487 -12.564 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.413 4.941 -11.614 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.598 3.620 -11.747 1.00 0.00 H new ATOM 897 N TYR A 63 1.317 6.044 -9.213 1.00 0.00 N ATOM 898 CA TYR A 63 1.136 7.483 -9.062 1.00 0.00 C ATOM 899 C TYR A 63 0.255 8.041 -10.175 1.00 0.00 C ATOM 900 O TYR A 63 0.620 8.003 -11.350 1.00 0.00 O ATOM 901 CB TYR A 63 2.492 8.192 -9.067 1.00 0.00 C ATOM 902 CG TYR A 63 3.212 8.130 -7.738 1.00 0.00 C ATOM 903 CD1 TYR A 63 2.672 8.725 -6.605 1.00 0.00 C ATOM 904 CD2 TYR A 63 4.432 7.476 -7.617 1.00 0.00 C ATOM 905 CE1 TYR A 63 3.327 8.672 -5.390 1.00 0.00 C ATOM 906 CE2 TYR A 63 5.093 7.417 -6.405 1.00 0.00 C ATOM 907 CZ TYR A 63 4.536 8.017 -5.295 1.00 0.00 C ATOM 908 OH TYR A 63 5.191 7.960 -4.086 1.00 0.00 O ATOM 0 H TYR A 63 2.251 5.766 -9.515 1.00 0.00 H new ATOM 0 HA TYR A 63 0.642 7.663 -8.107 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.124 7.745 -9.834 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.346 9.236 -9.343 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.724 9.238 -6.675 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.871 7.006 -8.485 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.894 9.141 -4.519 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.040 6.904 -6.327 1.00 0.00 H new ATOM 0 HH TYR A 63 4.640 8.384 -3.395 1.00 0.00 H new ATOM 918 N SER A 64 -0.909 8.560 -9.795 1.00 0.00 N ATOM 919 CA SER A 64 -1.846 9.124 -10.760 1.00 0.00 C ATOM 920 C SER A 64 -1.414 10.525 -11.182 1.00 0.00 C ATOM 921 O SER A 64 -0.433 11.063 -10.671 1.00 0.00 O ATOM 922 CB SER A 64 -3.256 9.168 -10.168 1.00 0.00 C ATOM 923 OG SER A 64 -4.220 9.450 -11.167 1.00 0.00 O ATOM 0 H SER A 64 -1.225 8.601 -8.826 1.00 0.00 H new ATOM 0 HA SER A 64 -1.851 8.484 -11.642 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.486 8.213 -9.696 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.303 9.928 -9.388 1.00 0.00 H new ATOM 0 HG SER A 64 -5.113 9.471 -10.763 1.00 0.00 H new ATOM 929 N GLU A 65 -2.156 11.110 -12.117 1.00 0.00 N ATOM 930 CA GLU A 65 -1.850 12.448 -12.608 1.00 0.00 C ATOM 931 C GLU A 65 -2.298 13.510 -11.609 1.00 0.00 C ATOM 932 O GLU A 65 -1.558 14.446 -11.305 1.00 0.00 O ATOM 933 CB GLU A 65 -2.526 12.687 -13.960 1.00 0.00 C ATOM 934 CG GLU A 65 -2.898 14.139 -14.207 1.00 0.00 C ATOM 935 CD GLU A 65 -2.860 14.510 -15.676 1.00 0.00 C ATOM 936 OE1 GLU A 65 -1.801 14.317 -16.310 1.00 0.00 O ATOM 937 OE2 GLU A 65 -3.889 14.993 -16.193 1.00 0.00 O ATOM 0 H GLU A 65 -2.973 10.678 -12.549 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.770 12.523 -12.732 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.859 12.352 -14.754 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.426 12.075 -14.020 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.898 14.326 -13.815 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.214 14.784 -13.656 1.00 0.00 H new ATOM 944 N LYS A 66 -3.516 13.358 -11.100 1.00 0.00 N ATOM 945 CA LYS A 66 -4.065 14.303 -10.134 1.00 0.00 C ATOM 946 C LYS A 66 -3.526 14.024 -8.734 1.00 0.00 C ATOM 947 O LYS A 66 -3.156 14.946 -8.006 1.00 0.00 O ATOM 948 CB LYS A 66 -5.594 14.227 -10.128 1.00 0.00 C ATOM 949 CG LYS A 66 -6.227 14.619 -11.451 1.00 0.00 C ATOM 950 CD LYS A 66 -6.561 16.101 -11.492 1.00 0.00 C ATOM 951 CE LYS A 66 -5.304 16.953 -11.580 1.00 0.00 C ATOM 952 NZ LYS A 66 -4.796 17.334 -10.233 1.00 0.00 N ATOM 0 H LYS A 66 -4.142 12.589 -11.340 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.758 15.306 -10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.898 13.211 -9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.979 14.879 -9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.547 14.376 -12.267 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.135 14.036 -11.608 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.202 16.307 -12.349 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.125 16.373 -10.599 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.531 16.405 -12.118 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.515 17.854 -12.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.078 18.312 -10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.197 16.695 -9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.759 17.262 -10.220 1.00 0.00 H new ATOM 966 N TYR A 67 -3.484 12.749 -8.364 1.00 0.00 N ATOM 967 CA TYR A 67 -2.992 12.350 -7.051 1.00 0.00 C ATOM 968 C TYR A 67 -1.853 13.258 -6.597 1.00 0.00 C ATOM 969 O TYR A 67 -1.060 13.751 -7.400 1.00 0.00 O ATOM 970 CB TYR A 67 -2.517 10.896 -7.082 1.00 0.00 C ATOM 971 CG TYR A 67 -1.510 10.565 -6.004 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.245 11.139 -6.008 1.00 0.00 C ATOM 973 CD2 TYR A 67 -1.823 9.677 -4.982 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.679 10.839 -5.025 1.00 0.00 C ATOM 975 CE2 TYR A 67 -0.906 9.372 -3.995 1.00 0.00 C ATOM 976 CZ TYR A 67 0.344 9.956 -4.021 1.00 0.00 C ATOM 977 OH TYR A 67 1.260 9.654 -3.040 1.00 0.00 O ATOM 0 H TYR A 67 -3.785 11.974 -8.955 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.813 12.443 -6.340 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.380 10.238 -6.976 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.075 10.688 -8.056 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.021 11.832 -6.793 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.800 9.217 -4.959 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.658 11.294 -5.043 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.166 8.680 -3.207 1.00 0.00 H new ATOM 0 HH TYR A 67 0.804 9.217 -2.290 1.00 0.00 H new ATOM 987 N PRO A 68 -1.769 13.486 -5.278 1.00 0.00 N ATOM 988 CA PRO A 68 -2.708 12.905 -4.314 1.00 0.00 C ATOM 989 C PRO A 68 -4.104 13.508 -4.428 1.00 0.00 C ATOM 990 O PRO A 68 -5.062 12.995 -3.849 1.00 0.00 O ATOM 991 CB PRO A 68 -2.085 13.252 -2.959 1.00 0.00 C ATOM 992 CG PRO A 68 -1.265 14.468 -3.220 1.00 0.00 C ATOM 993 CD PRO A 68 -0.752 14.328 -4.627 1.00 0.00 C ATOM 0 HA PRO A 68 -2.847 11.836 -4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.852 13.445 -2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.471 12.433 -2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.863 15.373 -3.111 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.441 14.543 -2.510 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.657 15.296 -5.118 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.232 13.861 -4.651 1.00 0.00 H new ATOM 1001 N ASP A 69 -4.212 14.599 -5.178 1.00 0.00 N ATOM 1002 CA ASP A 69 -5.492 15.272 -5.370 1.00 0.00 C ATOM 1003 C ASP A 69 -6.631 14.260 -5.447 1.00 0.00 C ATOM 1004 O ASP A 69 -7.673 14.435 -4.816 1.00 0.00 O ATOM 1005 CB ASP A 69 -5.461 16.121 -6.641 1.00 0.00 C ATOM 1006 CG ASP A 69 -6.693 16.993 -6.786 1.00 0.00 C ATOM 1007 OD1 ASP A 69 -7.684 16.524 -7.382 1.00 0.00 O ATOM 1008 OD2 ASP A 69 -6.665 18.144 -6.303 1.00 0.00 O ATOM 0 H ASP A 69 -3.429 15.037 -5.663 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.665 15.923 -4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.572 16.752 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.378 15.467 -7.509 1.00 0.00 H new ATOM 1013 N GLU A 70 -6.425 13.202 -6.225 1.00 0.00 N ATOM 1014 CA GLU A 70 -7.436 12.164 -6.386 1.00 0.00 C ATOM 1015 C GLU A 70 -6.921 10.820 -5.879 1.00 0.00 C ATOM 1016 O GLU A 70 -5.713 10.593 -5.806 1.00 0.00 O ATOM 1017 CB GLU A 70 -7.847 12.044 -7.855 1.00 0.00 C ATOM 1018 CG GLU A 70 -8.943 13.015 -8.261 1.00 0.00 C ATOM 1019 CD GLU A 70 -10.195 12.867 -7.419 1.00 0.00 C ATOM 1020 OE1 GLU A 70 -10.984 11.936 -7.686 1.00 0.00 O ATOM 1021 OE2 GLU A 70 -10.386 13.683 -6.493 1.00 0.00 O ATOM 0 H GLU A 70 -5.567 13.041 -6.753 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.307 12.446 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.972 12.213 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.186 11.026 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.570 14.035 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.194 12.856 -9.310 1.00 0.00 H new ATOM 1028 N ALA A 71 -7.846 9.931 -5.530 1.00 0.00 N ATOM 1029 CA ALA A 71 -7.486 8.610 -5.032 1.00 0.00 C ATOM 1030 C ALA A 71 -6.566 7.886 -6.009 1.00 0.00 C ATOM 1031 O ALA A 71 -6.815 7.837 -7.213 1.00 0.00 O ATOM 1032 CB ALA A 71 -8.738 7.784 -4.774 1.00 0.00 C ATOM 0 H ALA A 71 -8.850 10.102 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.947 8.738 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.454 6.799 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.359 8.287 -4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.299 7.674 -5.702 1.00 0.00 H new ATOM 1038 N PRO A 72 -5.475 7.312 -5.480 1.00 0.00 N ATOM 1039 CA PRO A 72 -4.495 6.581 -6.289 1.00 0.00 C ATOM 1040 C PRO A 72 -5.050 5.265 -6.822 1.00 0.00 C ATOM 1041 O PRO A 72 -6.261 5.041 -6.814 1.00 0.00 O ATOM 1042 CB PRO A 72 -3.350 6.320 -5.307 1.00 0.00 C ATOM 1043 CG PRO A 72 -3.992 6.335 -3.963 1.00 0.00 C ATOM 1044 CD PRO A 72 -5.115 7.331 -4.052 1.00 0.00 C ATOM 0 HA PRO A 72 -4.196 7.142 -7.174 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.869 5.362 -5.505 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.579 7.086 -5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.367 5.346 -3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.277 6.621 -3.192 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.957 7.045 -3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.799 8.323 -3.730 1.00 0.00 H new ATOM 1052 N LEU A 73 -4.157 4.396 -7.286 1.00 0.00 N ATOM 1053 CA LEU A 73 -4.558 3.101 -7.823 1.00 0.00 C ATOM 1054 C LEU A 73 -3.882 1.964 -7.064 1.00 0.00 C ATOM 1055 O LEU A 73 -2.657 1.838 -7.075 1.00 0.00 O ATOM 1056 CB LEU A 73 -4.211 3.014 -9.310 1.00 0.00 C ATOM 1057 CG LEU A 73 -4.973 3.964 -10.234 1.00 0.00 C ATOM 1058 CD1 LEU A 73 -4.181 4.222 -11.506 1.00 0.00 C ATOM 1059 CD2 LEU A 73 -6.347 3.398 -10.565 1.00 0.00 C ATOM 0 H LEU A 73 -3.151 4.566 -7.301 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.637 3.003 -7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.144 3.205 -9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.390 1.992 -9.645 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.108 4.913 -9.716 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.739 4.900 -12.151 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.221 4.671 -11.252 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.014 3.280 -12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.875 4.087 -11.224 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.234 2.435 -11.063 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.917 3.266 -9.645 1.00 0.00 H new ATOM 1071 N TYR A 74 -4.688 1.136 -6.408 1.00 0.00 N ATOM 1072 CA TYR A 74 -4.167 0.009 -5.643 1.00 0.00 C ATOM 1073 C TYR A 74 -4.636 -1.316 -6.238 1.00 0.00 C ATOM 1074 O TYR A 74 -5.739 -1.411 -6.775 1.00 0.00 O ATOM 1075 CB TYR A 74 -4.609 0.109 -4.182 1.00 0.00 C ATOM 1076 CG TYR A 74 -6.109 0.061 -3.999 1.00 0.00 C ATOM 1077 CD1 TYR A 74 -6.808 -1.132 -4.136 1.00 0.00 C ATOM 1078 CD2 TYR A 74 -6.828 1.209 -3.687 1.00 0.00 C ATOM 1079 CE1 TYR A 74 -8.178 -1.180 -3.970 1.00 0.00 C ATOM 1080 CE2 TYR A 74 -8.198 1.170 -3.518 1.00 0.00 C ATOM 1081 CZ TYR A 74 -8.869 -0.027 -3.661 1.00 0.00 C ATOM 1082 OH TYR A 74 -10.234 -0.071 -3.493 1.00 0.00 O ATOM 0 H TYR A 74 -5.704 1.224 -6.391 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.079 0.043 -5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.156 -0.706 -3.618 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.229 1.039 -3.759 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.271 -2.037 -4.376 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.306 2.148 -3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.706 -2.116 -4.082 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.741 2.071 -3.275 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.494 -0.953 -3.155 1.00 0.00 H new ATOM 1092 N GLU A 75 -3.788 -2.335 -6.137 1.00 0.00 N ATOM 1093 CA GLU A 75 -4.115 -3.654 -6.665 1.00 0.00 C ATOM 1094 C GLU A 75 -3.161 -4.711 -6.116 1.00 0.00 C ATOM 1095 O GLU A 75 -1.967 -4.459 -5.952 1.00 0.00 O ATOM 1096 CB GLU A 75 -4.057 -3.644 -8.194 1.00 0.00 C ATOM 1097 CG GLU A 75 -4.013 -5.032 -8.810 1.00 0.00 C ATOM 1098 CD GLU A 75 -4.637 -5.078 -10.192 1.00 0.00 C ATOM 1099 OE1 GLU A 75 -4.267 -4.236 -11.037 1.00 0.00 O ATOM 1100 OE2 GLU A 75 -5.494 -5.954 -10.427 1.00 0.00 O ATOM 0 H GLU A 75 -2.871 -2.272 -5.695 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.128 -3.904 -6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.927 -3.112 -8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.176 -3.086 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.977 -5.365 -8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.534 -5.732 -8.157 1.00 0.00 H new ATOM 1107 N ILE A 76 -3.696 -5.894 -5.835 1.00 0.00 N ATOM 1108 CA ILE A 76 -2.893 -6.989 -5.305 1.00 0.00 C ATOM 1109 C ILE A 76 -2.400 -7.900 -6.424 1.00 0.00 C ATOM 1110 O ILE A 76 -3.182 -8.619 -7.045 1.00 0.00 O ATOM 1111 CB ILE A 76 -3.688 -7.829 -4.288 1.00 0.00 C ATOM 1112 CG1 ILE A 76 -4.190 -6.945 -3.145 1.00 0.00 C ATOM 1113 CG2 ILE A 76 -2.828 -8.963 -3.750 1.00 0.00 C ATOM 1114 CD1 ILE A 76 -5.296 -7.580 -2.331 1.00 0.00 C ATOM 0 H ILE A 76 -4.682 -6.119 -5.965 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.037 -6.538 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.551 -8.262 -4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.355 -6.708 -2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.549 -6.002 -3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.404 -9.548 -3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.516 -9.605 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.947 -8.550 -3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.603 -6.897 -1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.148 -7.792 -2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.936 -8.509 -1.890 1.00 0.00 H new ATOM 1126 N PHE A 77 -1.095 -7.865 -6.675 1.00 0.00 N ATOM 1127 CA PHE A 77 -0.495 -8.688 -7.719 1.00 0.00 C ATOM 1128 C PHE A 77 -0.462 -10.156 -7.303 1.00 0.00 C ATOM 1129 O PHE A 77 -0.686 -11.049 -8.119 1.00 0.00 O ATOM 1130 CB PHE A 77 0.922 -8.202 -8.031 1.00 0.00 C ATOM 1131 CG PHE A 77 1.470 -8.740 -9.321 1.00 0.00 C ATOM 1132 CD1 PHE A 77 2.084 -9.982 -9.364 1.00 0.00 C ATOM 1133 CD2 PHE A 77 1.372 -8.005 -10.491 1.00 0.00 C ATOM 1134 CE1 PHE A 77 2.590 -10.480 -10.550 1.00 0.00 C ATOM 1135 CE2 PHE A 77 1.876 -8.498 -11.680 1.00 0.00 C ATOM 1136 CZ PHE A 77 2.486 -9.737 -11.709 1.00 0.00 C ATOM 0 H PHE A 77 -0.433 -7.276 -6.170 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.108 -8.597 -8.616 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.923 -7.113 -8.071 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.585 -8.491 -7.215 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.168 -10.567 -8.460 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.896 -7.036 -10.474 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.066 -11.449 -10.570 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.793 -7.915 -12.585 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.881 -10.124 -12.637 1.00 0.00 H new ATOM 1146 N SER A 78 -0.179 -10.396 -6.026 1.00 0.00 N ATOM 1147 CA SER A 78 -0.111 -11.755 -5.501 1.00 0.00 C ATOM 1148 C SER A 78 -0.550 -11.795 -4.041 1.00 0.00 C ATOM 1149 O SER A 78 -0.269 -10.876 -3.272 1.00 0.00 O ATOM 1150 CB SER A 78 1.310 -12.305 -5.634 1.00 0.00 C ATOM 1151 OG SER A 78 2.241 -11.485 -4.948 1.00 0.00 O ATOM 0 H SER A 78 0.007 -9.668 -5.337 1.00 0.00 H new ATOM 0 HA SER A 78 -0.790 -12.378 -6.084 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.350 -13.318 -5.235 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.582 -12.367 -6.688 1.00 0.00 H new ATOM 0 HG SER A 78 3.141 -11.859 -5.047 1.00 0.00 H new ATOM 1157 N GLN A 79 -1.240 -12.868 -3.666 1.00 0.00 N ATOM 1158 CA GLN A 79 -1.718 -13.028 -2.298 1.00 0.00 C ATOM 1159 C GLN A 79 -1.596 -14.479 -1.845 1.00 0.00 C ATOM 1160 O GLN A 79 -1.587 -15.396 -2.666 1.00 0.00 O ATOM 1161 CB GLN A 79 -3.173 -12.567 -2.187 1.00 0.00 C ATOM 1162 CG GLN A 79 -4.168 -13.540 -2.799 1.00 0.00 C ATOM 1163 CD GLN A 79 -4.349 -13.329 -4.289 1.00 0.00 C ATOM 1164 OE1 GLN A 79 -4.421 -12.195 -4.763 1.00 0.00 O ATOM 1165 NE2 GLN A 79 -4.424 -14.424 -5.037 1.00 0.00 N ATOM 0 H GLN A 79 -1.480 -13.638 -4.290 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.098 -12.411 -1.648 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.420 -12.421 -1.135 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.277 -11.598 -2.676 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.830 -14.561 -2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.131 -13.430 -2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.359 -15.344 -4.602 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.546 -14.345 -6.047 1.00 0.00 H new ATOM 1174 N GLU A 80 -1.501 -14.679 -0.534 1.00 0.00 N ATOM 1175 CA GLU A 80 -1.378 -16.019 0.027 1.00 0.00 C ATOM 1176 C GLU A 80 -2.107 -16.119 1.364 1.00 0.00 C ATOM 1177 O GLU A 80 -2.153 -15.158 2.130 1.00 0.00 O ATOM 1178 CB GLU A 80 0.096 -16.387 0.208 1.00 0.00 C ATOM 1179 CG GLU A 80 0.807 -16.713 -1.095 1.00 0.00 C ATOM 1180 CD GLU A 80 0.587 -18.146 -1.537 1.00 0.00 C ATOM 1181 OE1 GLU A 80 -0.457 -18.726 -1.170 1.00 0.00 O ATOM 1182 OE2 GLU A 80 1.457 -18.689 -2.249 1.00 0.00 O ATOM 0 H GLU A 80 -1.507 -13.930 0.159 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.837 -16.720 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.611 -15.559 0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.168 -17.245 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.455 -16.038 -1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.876 -16.533 -0.976 1.00 0.00 H new ATOM 1189 N ASN A 81 -2.676 -17.289 1.635 1.00 0.00 N ATOM 1190 CA ASN A 81 -3.403 -17.515 2.879 1.00 0.00 C ATOM 1191 C ASN A 81 -4.508 -16.477 3.059 1.00 0.00 C ATOM 1192 O ASN A 81 -4.747 -15.995 4.167 1.00 0.00 O ATOM 1193 CB ASN A 81 -2.445 -17.468 4.071 1.00 0.00 C ATOM 1194 CG ASN A 81 -1.416 -18.580 4.029 1.00 0.00 C ATOM 1195 OD1 ASN A 81 -1.711 -19.699 3.608 1.00 0.00 O ATOM 1196 ND2 ASN A 81 -0.199 -18.278 4.467 1.00 0.00 N ATOM 0 H ASN A 81 -2.648 -18.095 1.010 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.861 -18.503 2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.935 -16.505 4.086 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.017 -17.540 4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.535 -18.986 4.463 1.00 0.00 H new ATOM 0 HD22 ASN A 81 0.002 -17.338 4.807 1.00 0.00 H new ATOM 1203 N LEU A 82 -5.177 -16.138 1.963 1.00 0.00 N ATOM 1204 CA LEU A 82 -6.258 -15.158 1.999 1.00 0.00 C ATOM 1205 C LEU A 82 -7.327 -15.489 0.962 1.00 0.00 C ATOM 1206 O LEU A 82 -7.053 -15.524 -0.236 1.00 0.00 O ATOM 1207 CB LEU A 82 -5.707 -13.753 1.750 1.00 0.00 C ATOM 1208 CG LEU A 82 -4.602 -13.287 2.699 1.00 0.00 C ATOM 1209 CD1 LEU A 82 -3.790 -12.169 2.066 1.00 0.00 C ATOM 1210 CD2 LEU A 82 -5.195 -12.834 4.025 1.00 0.00 C ATOM 0 H LEU A 82 -4.991 -16.527 1.039 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.715 -15.192 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.324 -13.710 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.533 -13.044 1.811 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.935 -14.128 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.009 -11.851 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.335 -12.528 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.444 -11.325 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.395 -12.506 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.885 -12.008 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.731 -13.663 4.486 1.00 0.00 H new ATOM 1222 N GLU A 83 -8.547 -15.728 1.434 1.00 0.00 N ATOM 1223 CA GLU A 83 -9.658 -16.054 0.547 1.00 0.00 C ATOM 1224 C GLU A 83 -10.250 -14.790 -0.070 1.00 0.00 C ATOM 1225 O GLU A 83 -10.106 -13.695 0.473 1.00 0.00 O ATOM 1226 CB GLU A 83 -10.741 -16.818 1.310 1.00 0.00 C ATOM 1227 CG GLU A 83 -11.629 -15.926 2.163 1.00 0.00 C ATOM 1228 CD GLU A 83 -12.902 -16.621 2.604 1.00 0.00 C ATOM 1229 OE1 GLU A 83 -12.811 -17.574 3.407 1.00 0.00 O ATOM 1230 OE2 GLU A 83 -13.990 -16.212 2.147 1.00 0.00 O ATOM 0 H GLU A 83 -8.791 -15.702 2.424 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.276 -16.685 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.362 -17.360 0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.267 -17.562 1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.073 -15.601 3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.886 -15.029 1.599 1.00 0.00 H new ATOM 1237 N ASP A 84 -10.914 -14.951 -1.209 1.00 0.00 N ATOM 1238 CA ASP A 84 -11.529 -13.824 -1.901 1.00 0.00 C ATOM 1239 C ASP A 84 -12.079 -12.808 -0.904 1.00 0.00 C ATOM 1240 O ASP A 84 -11.819 -11.611 -1.015 1.00 0.00 O ATOM 1241 CB ASP A 84 -12.649 -14.312 -2.821 1.00 0.00 C ATOM 1242 CG ASP A 84 -12.122 -15.081 -4.017 1.00 0.00 C ATOM 1243 OD1 ASP A 84 -11.595 -14.439 -4.949 1.00 0.00 O ATOM 1244 OD2 ASP A 84 -12.237 -16.325 -4.020 1.00 0.00 O ATOM 0 H ASP A 84 -11.040 -15.851 -1.673 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.762 -13.337 -2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.329 -14.948 -2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.228 -13.457 -3.169 1.00 0.00 H new ATOM 1249 N ASN A 85 -12.842 -13.296 0.069 1.00 0.00 N ATOM 1250 CA ASN A 85 -13.431 -12.430 1.084 1.00 0.00 C ATOM 1251 C ASN A 85 -12.364 -11.561 1.743 1.00 0.00 C ATOM 1252 O ASN A 85 -12.468 -10.335 1.756 1.00 0.00 O ATOM 1253 CB ASN A 85 -14.149 -13.268 2.144 1.00 0.00 C ATOM 1254 CG ASN A 85 -14.973 -12.419 3.092 1.00 0.00 C ATOM 1255 OD1 ASN A 85 -14.443 -11.823 4.030 1.00 0.00 O ATOM 1256 ND2 ASN A 85 -16.278 -12.360 2.852 1.00 0.00 N ATOM 0 H ASN A 85 -13.067 -14.285 0.176 1.00 0.00 H new ATOM 0 HA ASN A 85 -14.154 -11.778 0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -14.798 -13.992 1.652 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -13.413 -13.835 2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.883 -11.805 3.457 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -16.675 -12.870 2.063 1.00 0.00 H new ATOM 1263 N ASP A 86 -11.339 -12.206 2.290 1.00 0.00 N ATOM 1264 CA ASP A 86 -10.251 -11.493 2.950 1.00 0.00 C ATOM 1265 C ASP A 86 -9.655 -10.436 2.025 1.00 0.00 C ATOM 1266 O ASP A 86 -9.560 -9.263 2.386 1.00 0.00 O ATOM 1267 CB ASP A 86 -9.164 -12.473 3.392 1.00 0.00 C ATOM 1268 CG ASP A 86 -9.615 -13.360 4.536 1.00 0.00 C ATOM 1269 OD1 ASP A 86 -10.574 -12.980 5.238 1.00 0.00 O ATOM 1270 OD2 ASP A 86 -9.008 -14.435 4.729 1.00 0.00 O ATOM 0 H ASP A 86 -11.239 -13.221 2.289 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.657 -10.994 3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.874 -13.096 2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.278 -11.916 3.696 1.00 0.00 H new ATOM 1275 N VAL A 87 -9.253 -10.860 0.831 1.00 0.00 N ATOM 1276 CA VAL A 87 -8.666 -9.951 -0.145 1.00 0.00 C ATOM 1277 C VAL A 87 -9.610 -8.795 -0.458 1.00 0.00 C ATOM 1278 O VAL A 87 -9.175 -7.661 -0.655 1.00 0.00 O ATOM 1279 CB VAL A 87 -8.316 -10.683 -1.455 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -7.769 -9.705 -2.484 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -7.322 -11.803 -1.190 1.00 0.00 C ATOM 0 H VAL A 87 -9.323 -11.828 0.517 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.751 -9.559 0.299 1.00 0.00 H new ATOM 0 HB VAL A 87 -9.227 -11.125 -1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.528 -10.240 -3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.518 -8.942 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.869 -9.231 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.086 -12.309 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.410 -11.386 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.757 -12.517 -0.491 1.00 0.00 H new ATOM 1291 N SER A 88 -10.905 -9.092 -0.502 1.00 0.00 N ATOM 1292 CA SER A 88 -11.912 -8.079 -0.794 1.00 0.00 C ATOM 1293 C SER A 88 -12.080 -7.125 0.385 1.00 0.00 C ATOM 1294 O SER A 88 -12.282 -5.924 0.202 1.00 0.00 O ATOM 1295 CB SER A 88 -13.251 -8.740 -1.125 1.00 0.00 C ATOM 1296 OG SER A 88 -14.280 -7.774 -1.251 1.00 0.00 O ATOM 0 H SER A 88 -11.281 -10.026 -0.339 1.00 0.00 H new ATOM 0 HA SER A 88 -11.575 -7.506 -1.658 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.162 -9.304 -2.053 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.511 -9.453 -0.343 1.00 0.00 H new ATOM 0 HG SER A 88 -15.125 -8.222 -1.464 1.00 0.00 H new ATOM 1302 N ASP A 89 -11.996 -7.668 1.594 1.00 0.00 N ATOM 1303 CA ASP A 89 -12.138 -6.867 2.804 1.00 0.00 C ATOM 1304 C ASP A 89 -10.977 -5.888 2.947 1.00 0.00 C ATOM 1305 O ASP A 89 -11.155 -4.761 3.411 1.00 0.00 O ATOM 1306 CB ASP A 89 -12.213 -7.771 4.035 1.00 0.00 C ATOM 1307 CG ASP A 89 -13.626 -8.238 4.325 1.00 0.00 C ATOM 1308 OD1 ASP A 89 -14.436 -8.302 3.377 1.00 0.00 O ATOM 1309 OD2 ASP A 89 -13.922 -8.539 5.501 1.00 0.00 O ATOM 0 H ASP A 89 -11.830 -8.660 1.762 1.00 0.00 H new ATOM 0 HA ASP A 89 -13.064 -6.297 2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -11.570 -8.638 3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -11.826 -7.234 4.901 1.00 0.00 H new ATOM 1314 N ILE A 90 -9.788 -6.326 2.546 1.00 0.00 N ATOM 1315 CA ILE A 90 -8.598 -5.488 2.630 1.00 0.00 C ATOM 1316 C ILE A 90 -8.620 -4.394 1.568 1.00 0.00 C ATOM 1317 O ILE A 90 -8.199 -3.263 1.817 1.00 0.00 O ATOM 1318 CB ILE A 90 -7.312 -6.320 2.467 1.00 0.00 C ATOM 1319 CG1 ILE A 90 -7.069 -7.174 3.713 1.00 0.00 C ATOM 1320 CG2 ILE A 90 -6.122 -5.409 2.203 1.00 0.00 C ATOM 1321 CD1 ILE A 90 -6.004 -8.231 3.523 1.00 0.00 C ATOM 0 H ILE A 90 -9.623 -7.256 2.160 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.603 -5.031 3.619 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.433 -6.985 1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.781 -6.524 4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.003 -7.658 4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.221 -6.011 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.295 -4.840 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.997 -4.722 3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.885 -8.798 4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.300 -8.905 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.059 -7.753 3.267 1.00 0.00 H new ATOM 1333 N LEU A 91 -9.116 -4.736 0.384 1.00 0.00 N ATOM 1334 CA LEU A 91 -9.195 -3.782 -0.717 1.00 0.00 C ATOM 1335 C LEU A 91 -10.035 -2.570 -0.327 1.00 0.00 C ATOM 1336 O LEU A 91 -9.625 -1.426 -0.526 1.00 0.00 O ATOM 1337 CB LEU A 91 -9.791 -4.452 -1.956 1.00 0.00 C ATOM 1338 CG LEU A 91 -8.844 -5.349 -2.755 1.00 0.00 C ATOM 1339 CD1 LEU A 91 -9.631 -6.317 -3.624 1.00 0.00 C ATOM 1340 CD2 LEU A 91 -7.905 -4.507 -3.607 1.00 0.00 C ATOM 0 H LEU A 91 -9.469 -5.667 0.162 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.185 -3.443 -0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.648 -5.049 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.168 -3.674 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.245 -5.929 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.940 -6.947 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.261 -6.943 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.256 -5.756 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.238 -5.161 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.488 -3.901 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.315 -3.855 -2.963 1.00 0.00 H new ATOM 1352 N LYS A 92 -11.213 -2.828 0.232 1.00 0.00 N ATOM 1353 CA LYS A 92 -12.110 -1.759 0.654 1.00 0.00 C ATOM 1354 C LYS A 92 -11.423 -0.834 1.653 1.00 0.00 C ATOM 1355 O LYS A 92 -11.462 0.389 1.511 1.00 0.00 O ATOM 1356 CB LYS A 92 -13.379 -2.346 1.276 1.00 0.00 C ATOM 1357 CG LYS A 92 -14.180 -3.214 0.321 1.00 0.00 C ATOM 1358 CD LYS A 92 -14.982 -4.269 1.065 1.00 0.00 C ATOM 1359 CE LYS A 92 -16.283 -3.699 1.608 1.00 0.00 C ATOM 1360 NZ LYS A 92 -16.043 -2.692 2.679 1.00 0.00 N ATOM 0 H LYS A 92 -11.568 -3.769 0.403 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.380 -1.177 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -13.105 -2.938 2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -14.011 -1.531 1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -14.855 -2.588 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -13.505 -3.699 -0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -15.199 -5.101 0.396 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -14.387 -4.668 1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -16.845 -3.238 0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -16.898 -4.508 2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -16.814 -2.735 3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -15.139 -2.896 3.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -16.008 -1.741 2.260 1.00 0.00 H new ATOM 1374 N LEU A 93 -10.792 -1.424 2.662 1.00 0.00 N ATOM 1375 CA LEU A 93 -10.094 -0.652 3.684 1.00 0.00 C ATOM 1376 C LEU A 93 -9.231 0.435 3.051 1.00 0.00 C ATOM 1377 O LEU A 93 -9.362 1.615 3.379 1.00 0.00 O ATOM 1378 CB LEU A 93 -9.224 -1.574 4.542 1.00 0.00 C ATOM 1379 CG LEU A 93 -8.224 -0.882 5.469 1.00 0.00 C ATOM 1380 CD1 LEU A 93 -8.910 -0.421 6.746 1.00 0.00 C ATOM 1381 CD2 LEU A 93 -7.063 -1.812 5.790 1.00 0.00 C ATOM 0 H LEU A 93 -10.749 -2.434 2.794 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.842 -0.174 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -9.880 -2.198 5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.673 -2.241 3.879 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.829 -0.005 4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.183 0.069 7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.706 0.281 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.333 -1.282 7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.361 -1.303 6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -7.440 -2.708 6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.555 -2.092 4.867 1.00 0.00 H new ATOM 1393 N LEU A 94 -8.352 0.031 2.141 1.00 0.00 N ATOM 1394 CA LEU A 94 -7.469 0.971 1.460 1.00 0.00 C ATOM 1395 C LEU A 94 -8.266 2.114 0.838 1.00 0.00 C ATOM 1396 O LEU A 94 -7.944 3.285 1.033 1.00 0.00 O ATOM 1397 CB LEU A 94 -6.661 0.250 0.379 1.00 0.00 C ATOM 1398 CG LEU A 94 -5.653 -0.787 0.874 1.00 0.00 C ATOM 1399 CD1 LEU A 94 -5.413 -1.848 -0.189 1.00 0.00 C ATOM 1400 CD2 LEU A 94 -4.345 -0.115 1.265 1.00 0.00 C ATOM 0 H LEU A 94 -8.232 -0.941 1.858 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.785 1.389 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.358 -0.244 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.125 0.998 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.066 -1.274 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.693 -2.578 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.352 -2.350 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.022 -1.377 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.639 -0.868 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.927 0.399 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.530 0.606 2.061 1.00 0.00 H new ATOM 1412 N ALA A 95 -9.308 1.764 0.092 1.00 0.00 N ATOM 1413 CA ALA A 95 -10.154 2.760 -0.554 1.00 0.00 C ATOM 1414 C ALA A 95 -10.564 3.852 0.428 1.00 0.00 C ATOM 1415 O ALA A 95 -10.122 4.996 0.321 1.00 0.00 O ATOM 1416 CB ALA A 95 -11.385 2.098 -1.155 1.00 0.00 C ATOM 0 H ALA A 95 -9.587 0.798 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.579 3.225 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.007 2.854 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.076 1.360 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.954 1.605 -0.367 1.00 0.00 H new ATOM 1422 N LEU A 96 -11.413 3.492 1.385 1.00 0.00 N ATOM 1423 CA LEU A 96 -11.884 4.442 2.387 1.00 0.00 C ATOM 1424 C LEU A 96 -10.750 5.348 2.854 1.00 0.00 C ATOM 1425 O LEU A 96 -10.813 6.567 2.697 1.00 0.00 O ATOM 1426 CB LEU A 96 -12.482 3.698 3.582 1.00 0.00 C ATOM 1427 CG LEU A 96 -13.914 3.190 3.408 1.00 0.00 C ATOM 1428 CD1 LEU A 96 -14.145 1.946 4.251 1.00 0.00 C ATOM 1429 CD2 LEU A 96 -14.914 4.278 3.773 1.00 0.00 C ATOM 0 H LEU A 96 -11.789 2.549 1.488 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.655 5.062 1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.841 2.847 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.455 4.360 4.447 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.061 2.926 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.169 1.599 4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.452 1.163 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.979 2.183 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.928 3.899 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.767 4.573 4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.764 5.142 3.126 1.00 0.00 H new ATOM 1441 N GLN A 97 -9.713 4.744 3.426 1.00 0.00 N ATOM 1442 CA GLN A 97 -8.564 5.497 3.914 1.00 0.00 C ATOM 1443 C GLN A 97 -8.105 6.520 2.880 1.00 0.00 C ATOM 1444 O GLN A 97 -8.029 7.714 3.165 1.00 0.00 O ATOM 1445 CB GLN A 97 -7.414 4.549 4.257 1.00 0.00 C ATOM 1446 CG GLN A 97 -7.717 3.622 5.423 1.00 0.00 C ATOM 1447 CD GLN A 97 -8.035 4.375 6.699 1.00 0.00 C ATOM 1448 OE1 GLN A 97 -7.138 4.866 7.385 1.00 0.00 O ATOM 1449 NE2 GLN A 97 -9.319 4.470 7.026 1.00 0.00 N ATOM 0 H GLN A 97 -9.645 3.735 3.563 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.867 6.030 4.816 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.175 3.949 3.379 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.527 5.137 4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.560 2.982 5.164 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.862 2.969 5.595 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.030 4.048 6.429 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -9.594 4.965 7.874 1.00 0.00 H new ATOM 1458 N ALA A 98 -7.798 6.042 1.678 1.00 0.00 N ATOM 1459 CA ALA A 98 -7.348 6.915 0.601 1.00 0.00 C ATOM 1460 C ALA A 98 -8.305 8.086 0.407 1.00 0.00 C ATOM 1461 O ALA A 98 -7.894 9.246 0.439 1.00 0.00 O ATOM 1462 CB ALA A 98 -7.206 6.127 -0.693 1.00 0.00 C ATOM 0 H ALA A 98 -7.853 5.055 1.426 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.374 7.318 0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.869 6.792 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.477 5.328 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.170 5.696 -0.964 1.00 0.00 H new ATOM 1468 N GLU A 99 -9.581 7.774 0.205 1.00 0.00 N ATOM 1469 CA GLU A 99 -10.595 8.802 0.004 1.00 0.00 C ATOM 1470 C GLU A 99 -10.536 9.849 1.112 1.00 0.00 C ATOM 1471 O GLU A 99 -10.564 11.050 0.847 1.00 0.00 O ATOM 1472 CB GLU A 99 -11.989 8.173 -0.044 1.00 0.00 C ATOM 1473 CG GLU A 99 -12.381 7.668 -1.423 1.00 0.00 C ATOM 1474 CD GLU A 99 -13.852 7.311 -1.516 1.00 0.00 C ATOM 1475 OE1 GLU A 99 -14.681 8.235 -1.649 1.00 0.00 O ATOM 1476 OE2 GLU A 99 -14.174 6.105 -1.457 1.00 0.00 O ATOM 0 H GLU A 99 -9.937 6.819 0.176 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.393 9.293 -0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.029 7.344 0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.722 8.909 0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.148 8.432 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -11.782 6.791 -1.669 1.00 0.00 H new ATOM 1483 N GLU A 100 -10.455 9.383 2.355 1.00 0.00 N ATOM 1484 CA GLU A 100 -10.393 10.279 3.504 1.00 0.00 C ATOM 1485 C GLU A 100 -9.126 11.128 3.464 1.00 0.00 C ATOM 1486 O GLU A 100 -9.126 12.282 3.890 1.00 0.00 O ATOM 1487 CB GLU A 100 -10.442 9.478 4.806 1.00 0.00 C ATOM 1488 CG GLU A 100 -10.476 10.345 6.053 1.00 0.00 C ATOM 1489 CD GLU A 100 -11.883 10.760 6.437 1.00 0.00 C ATOM 1490 OE1 GLU A 100 -12.439 11.657 5.769 1.00 0.00 O ATOM 1491 OE2 GLU A 100 -12.427 10.190 7.405 1.00 0.00 O ATOM 0 H GLU A 100 -10.431 8.391 2.592 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.256 10.943 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.323 8.837 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.572 8.823 4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.023 9.801 6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.871 11.236 5.888 1.00 0.00 H new ATOM 1498 N ASN A 101 -8.047 10.547 2.949 1.00 0.00 N ATOM 1499 CA ASN A 101 -6.772 11.250 2.854 1.00 0.00 C ATOM 1500 C ASN A 101 -6.639 11.955 1.508 1.00 0.00 C ATOM 1501 O ASN A 101 -5.532 12.158 1.008 1.00 0.00 O ATOM 1502 CB ASN A 101 -5.612 10.272 3.047 1.00 0.00 C ATOM 1503 CG ASN A 101 -5.516 9.763 4.473 1.00 0.00 C ATOM 1504 OD1 ASN A 101 -5.461 8.445 4.628 1.00 0.00 O flip ATOM 1505 ND2 ASN A 101 -5.492 10.545 5.423 1.00 0.00 N flip ATOM 0 H ASN A 101 -8.030 9.592 2.591 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.740 12.002 3.643 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.736 9.427 2.370 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.677 10.763 2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.537 11.550 5.257 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.428 10.188 6.376 1.00 0.00 H new ATOM 1512 N LEU A 102 -7.774 12.327 0.926 1.00 0.00 N ATOM 1513 CA LEU A 102 -7.784 13.011 -0.363 1.00 0.00 C ATOM 1514 C LEU A 102 -7.225 14.424 -0.234 1.00 0.00 C ATOM 1515 O LEU A 102 -7.770 15.255 0.491 1.00 0.00 O ATOM 1516 CB LEU A 102 -9.207 13.063 -0.923 1.00 0.00 C ATOM 1517 CG LEU A 102 -9.641 11.861 -1.763 1.00 0.00 C ATOM 1518 CD1 LEU A 102 -11.158 11.801 -1.864 1.00 0.00 C ATOM 1519 CD2 LEU A 102 -9.014 11.924 -3.148 1.00 0.00 C ATOM 0 H LEU A 102 -8.699 12.167 1.326 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.149 12.450 -1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.901 13.168 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.304 13.961 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.294 10.953 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.449 10.940 -2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.586 11.708 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.528 12.713 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.334 11.061 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.330 12.839 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.928 11.918 -3.056 1.00 0.00 H new ATOM 1531 N GLY A 103 -6.133 14.690 -0.945 1.00 0.00 N ATOM 1532 CA GLY A 103 -5.519 16.004 -0.898 1.00 0.00 C ATOM 1533 C GLY A 103 -4.038 15.941 -0.581 1.00 0.00 C ATOM 1534 O GLY A 103 -3.358 16.966 -0.555 1.00 0.00 O ATOM 0 H GLY A 103 -5.663 14.019 -1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.661 16.503 -1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.023 16.610 -0.145 1.00 0.00 H new ATOM 1538 N MET A 104 -3.538 14.734 -0.337 1.00 0.00 N ATOM 1539 CA MET A 104 -2.127 14.542 -0.020 1.00 0.00 C ATOM 1540 C MET A 104 -1.737 13.073 -0.145 1.00 0.00 C ATOM 1541 O MET A 104 -2.590 12.187 -0.089 1.00 0.00 O ATOM 1542 CB MET A 104 -1.828 15.042 1.395 1.00 0.00 C ATOM 1543 CG MET A 104 -2.381 14.141 2.487 1.00 0.00 C ATOM 1544 SD MET A 104 -2.019 14.754 4.143 1.00 0.00 S ATOM 1545 CE MET A 104 -0.682 13.663 4.624 1.00 0.00 C ATOM 0 H MET A 104 -4.088 13.875 -0.353 1.00 0.00 H new ATOM 0 HA MET A 104 -1.538 15.118 -0.734 1.00 0.00 H new ATOM 0 HB2 MET A 104 -0.749 15.130 1.520 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.245 16.042 1.514 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.460 14.050 2.365 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.962 13.141 2.374 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.348 13.918 5.630 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.031 12.631 4.608 1.00 0.00 H new ATOM 0 HE3 MET A 104 0.148 13.776 3.927 1.00 0.00 H new ATOM 1555 N VAL A 105 -0.443 12.821 -0.317 1.00 0.00 N ATOM 1556 CA VAL A 105 0.060 11.459 -0.450 1.00 0.00 C ATOM 1557 C VAL A 105 -0.368 10.597 0.733 1.00 0.00 C ATOM 1558 O VAL A 105 -0.240 11.003 1.888 1.00 0.00 O ATOM 1559 CB VAL A 105 1.596 11.436 -0.558 1.00 0.00 C ATOM 1560 CG1 VAL A 105 2.045 12.007 -1.895 1.00 0.00 C ATOM 1561 CG2 VAL A 105 2.223 12.203 0.596 1.00 0.00 C ATOM 0 H VAL A 105 0.276 13.543 -0.367 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.368 11.052 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 105 1.932 10.401 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.133 11.983 -1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.624 11.411 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.699 13.037 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.309 12.176 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.882 13.238 0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.928 11.745 1.540 1.00 0.00 H new ATOM 1571 N MET A 106 -0.876 9.406 0.437 1.00 0.00 N ATOM 1572 CA MET A 106 -1.321 8.485 1.477 1.00 0.00 C ATOM 1573 C MET A 106 -0.739 7.093 1.255 1.00 0.00 C ATOM 1574 O MET A 106 -1.457 6.094 1.314 1.00 0.00 O ATOM 1575 CB MET A 106 -2.849 8.414 1.504 1.00 0.00 C ATOM 1576 CG MET A 106 -3.466 8.060 0.161 1.00 0.00 C ATOM 1577 SD MET A 106 -3.388 9.421 -1.019 1.00 0.00 S ATOM 1578 CE MET A 106 -4.989 10.183 -0.762 1.00 0.00 C ATOM 0 H MET A 106 -0.990 9.055 -0.514 1.00 0.00 H new ATOM 0 HA MET A 106 -0.965 8.859 2.437 1.00 0.00 H new ATOM 0 HB2 MET A 106 -3.157 7.673 2.242 1.00 0.00 H new ATOM 0 HB3 MET A 106 -3.243 9.375 1.833 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.951 7.194 -0.254 1.00 0.00 H new ATOM 0 HG3 MET A 106 -4.507 7.771 0.308 1.00 0.00 H new ATOM 0 HE1 MET A 106 -4.908 11.259 -0.913 1.00 0.00 H new ATOM 0 HE2 MET A 106 -5.707 9.770 -1.471 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.328 9.984 0.255 1.00 0.00 H new ATOM 1588 N ILE A 107 0.563 7.034 1.001 1.00 0.00 N ATOM 1589 CA ILE A 107 1.240 5.763 0.772 1.00 0.00 C ATOM 1590 C ILE A 107 1.551 5.061 2.089 1.00 0.00 C ATOM 1591 O ILE A 107 1.316 3.861 2.236 1.00 0.00 O ATOM 1592 CB ILE A 107 2.549 5.957 -0.016 1.00 0.00 C ATOM 1593 CG1 ILE A 107 2.263 6.597 -1.376 1.00 0.00 C ATOM 1594 CG2 ILE A 107 3.264 4.625 -0.191 1.00 0.00 C ATOM 1595 CD1 ILE A 107 1.601 5.656 -2.358 1.00 0.00 C ATOM 0 H ILE A 107 1.171 7.851 0.948 1.00 0.00 H new ATOM 0 HA ILE A 107 0.561 5.144 0.185 1.00 0.00 H new ATOM 0 HB ILE A 107 3.199 6.625 0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.623 7.468 -1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.199 6.956 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 107 4.187 4.778 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.498 4.206 0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.620 3.935 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.428 6.176 -3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 107 2.249 4.797 -2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.649 5.316 -1.951 1.00 0.00 H new ATOM 1607 N PHE A 108 2.079 5.816 3.046 1.00 0.00 N ATOM 1608 CA PHE A 108 2.422 5.267 4.352 1.00 0.00 C ATOM 1609 C PHE A 108 1.165 4.871 5.122 1.00 0.00 C ATOM 1610 O PHE A 108 1.061 3.755 5.633 1.00 0.00 O ATOM 1611 CB PHE A 108 3.230 6.283 5.161 1.00 0.00 C ATOM 1612 CG PHE A 108 4.303 6.967 4.363 1.00 0.00 C ATOM 1613 CD1 PHE A 108 4.010 8.087 3.601 1.00 0.00 C ATOM 1614 CD2 PHE A 108 5.604 6.491 4.375 1.00 0.00 C ATOM 1615 CE1 PHE A 108 4.995 8.718 2.865 1.00 0.00 C ATOM 1616 CE2 PHE A 108 6.594 7.118 3.642 1.00 0.00 C ATOM 1617 CZ PHE A 108 6.289 8.234 2.886 1.00 0.00 C ATOM 0 H PHE A 108 2.279 6.811 2.941 1.00 0.00 H new ATOM 0 HA PHE A 108 3.028 4.375 4.195 1.00 0.00 H new ATOM 0 HB2 PHE A 108 2.553 7.036 5.564 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.687 5.777 6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.001 8.471 3.582 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.848 5.619 4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.753 9.589 2.274 1.00 0.00 H new ATOM 0 HE2 PHE A 108 7.604 6.736 3.660 1.00 0.00 H new ATOM 0 HZ PHE A 108 7.060 8.727 2.313 1.00 0.00 H new ATOM 1627 N THR A 109 0.212 5.793 5.202 1.00 0.00 N ATOM 1628 CA THR A 109 -1.037 5.543 5.910 1.00 0.00 C ATOM 1629 C THR A 109 -1.737 4.302 5.368 1.00 0.00 C ATOM 1630 O THR A 109 -2.233 3.473 6.133 1.00 0.00 O ATOM 1631 CB THR A 109 -1.994 6.745 5.804 1.00 0.00 C ATOM 1632 OG1 THR A 109 -1.375 7.914 6.353 1.00 0.00 O ATOM 1633 CG2 THR A 109 -3.299 6.465 6.534 1.00 0.00 C ATOM 0 H THR A 109 0.281 6.721 4.785 1.00 0.00 H new ATOM 0 HA THR A 109 -0.780 5.384 6.957 1.00 0.00 H new ATOM 0 HB THR A 109 -2.215 6.913 4.750 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.989 8.674 6.280 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.958 7.328 6.445 1.00 0.00 H new ATOM 0 HG22 THR A 109 -3.782 5.593 6.094 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.093 6.273 7.587 1.00 0.00 H new ATOM 1641 N LEU A 110 -1.773 4.178 4.046 1.00 0.00 N ATOM 1642 CA LEU A 110 -2.412 3.036 3.402 1.00 0.00 C ATOM 1643 C LEU A 110 -1.797 1.725 3.882 1.00 0.00 C ATOM 1644 O LEU A 110 -2.490 0.863 4.423 1.00 0.00 O ATOM 1645 CB LEU A 110 -2.284 3.146 1.882 1.00 0.00 C ATOM 1646 CG LEU A 110 -3.403 3.904 1.167 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -3.203 3.855 -0.340 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -4.761 3.333 1.546 1.00 0.00 C ATOM 0 H LEU A 110 -1.367 4.854 3.399 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.468 3.041 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.337 3.634 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.232 2.139 1.468 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.369 4.947 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.009 4.400 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.247 4.313 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.209 2.818 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.545 3.885 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.807 2.282 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.906 3.422 2.623 1.00 0.00 H new ATOM 1660 N VAL A 111 -0.490 1.583 3.682 1.00 0.00 N ATOM 1661 CA VAL A 111 0.220 0.379 4.098 1.00 0.00 C ATOM 1662 C VAL A 111 0.015 0.105 5.583 1.00 0.00 C ATOM 1663 O VAL A 111 -0.193 -1.038 5.993 1.00 0.00 O ATOM 1664 CB VAL A 111 1.729 0.490 3.811 1.00 0.00 C ATOM 1665 CG1 VAL A 111 2.502 -0.551 4.606 1.00 0.00 C ATOM 1666 CG2 VAL A 111 2.000 0.344 2.321 1.00 0.00 C ATOM 0 H VAL A 111 0.098 2.286 3.235 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.193 -0.447 3.519 1.00 0.00 H new ATOM 0 HB VAL A 111 2.069 1.477 4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.566 -0.457 4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.333 -0.395 5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.162 -1.548 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.071 0.425 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.646 -0.629 1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.478 1.131 1.777 1.00 0.00 H new ATOM 1676 N THR A 112 0.075 1.162 6.388 1.00 0.00 N ATOM 1677 CA THR A 112 -0.104 1.036 7.829 1.00 0.00 C ATOM 1678 C THR A 112 -1.424 0.350 8.162 1.00 0.00 C ATOM 1679 O THR A 112 -1.452 -0.646 8.884 1.00 0.00 O ATOM 1680 CB THR A 112 -0.063 2.411 8.522 1.00 0.00 C ATOM 1681 OG1 THR A 112 1.188 3.056 8.259 1.00 0.00 O ATOM 1682 CG2 THR A 112 -0.259 2.266 10.024 1.00 0.00 C ATOM 0 H THR A 112 0.246 2.115 6.066 1.00 0.00 H new ATOM 0 HA THR A 112 0.721 0.427 8.198 1.00 0.00 H new ATOM 0 HB THR A 112 -0.875 3.019 8.122 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.226 3.324 7.317 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.226 3.250 10.492 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.225 1.802 10.222 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.534 1.642 10.436 1.00 0.00 H new ATOM 1690 N ALA A 113 -2.516 0.890 7.631 1.00 0.00 N ATOM 1691 CA ALA A 113 -3.839 0.328 7.870 1.00 0.00 C ATOM 1692 C ALA A 113 -3.885 -1.149 7.491 1.00 0.00 C ATOM 1693 O ALA A 113 -4.490 -1.961 8.190 1.00 0.00 O ATOM 1694 CB ALA A 113 -4.892 1.107 7.095 1.00 0.00 C ATOM 0 H ALA A 113 -2.510 1.716 7.033 1.00 0.00 H new ATOM 0 HA ALA A 113 -4.054 0.410 8.935 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -5.875 0.676 7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -4.885 2.148 7.417 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.671 1.056 6.029 1.00 0.00 H new ATOM 1700 N VAL A 114 -3.243 -1.489 6.378 1.00 0.00 N ATOM 1701 CA VAL A 114 -3.210 -2.868 5.906 1.00 0.00 C ATOM 1702 C VAL A 114 -2.448 -3.764 6.876 1.00 0.00 C ATOM 1703 O VAL A 114 -2.961 -4.789 7.322 1.00 0.00 O ATOM 1704 CB VAL A 114 -2.561 -2.970 4.513 1.00 0.00 C ATOM 1705 CG1 VAL A 114 -2.235 -4.417 4.179 1.00 0.00 C ATOM 1706 CG2 VAL A 114 -3.471 -2.362 3.456 1.00 0.00 C ATOM 0 H VAL A 114 -2.739 -0.828 5.786 1.00 0.00 H new ATOM 0 HA VAL A 114 -4.245 -3.204 5.842 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.628 -2.407 4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -1.777 -4.468 3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -1.542 -4.814 4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -3.151 -5.007 4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.997 -2.443 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -4.421 -2.895 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -3.647 -1.312 3.688 1.00 0.00 H new ATOM 1716 N GLN A 115 -1.220 -3.368 7.198 1.00 0.00 N ATOM 1717 CA GLN A 115 -0.387 -4.135 8.115 1.00 0.00 C ATOM 1718 C GLN A 115 -1.235 -4.800 9.195 1.00 0.00 C ATOM 1719 O GLN A 115 -0.977 -5.938 9.587 1.00 0.00 O ATOM 1720 CB GLN A 115 0.664 -3.231 8.761 1.00 0.00 C ATOM 1721 CG GLN A 115 1.293 -3.825 10.011 1.00 0.00 C ATOM 1722 CD GLN A 115 2.165 -5.028 9.710 1.00 0.00 C ATOM 1723 OE1 GLN A 115 3.060 -4.965 8.867 1.00 0.00 O ATOM 1724 NE2 GLN A 115 1.907 -6.133 10.400 1.00 0.00 N ATOM 0 H GLN A 115 -0.781 -2.521 6.837 1.00 0.00 H new ATOM 0 HA GLN A 115 0.116 -4.914 7.542 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.449 -3.023 8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.203 -2.276 9.015 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.892 -3.063 10.509 1.00 0.00 H new ATOM 0 HG3 GLN A 115 0.506 -4.117 10.706 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.155 -6.140 11.089 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.461 -6.975 10.241 1.00 0.00 H new ATOM 1733 N GLU A 116 -2.247 -4.082 9.671 1.00 0.00 N ATOM 1734 CA GLU A 116 -3.132 -4.603 10.707 1.00 0.00 C ATOM 1735 C GLU A 116 -4.178 -5.538 10.108 1.00 0.00 C ATOM 1736 O GLU A 116 -4.353 -6.668 10.566 1.00 0.00 O ATOM 1737 CB GLU A 116 -3.822 -3.454 11.445 1.00 0.00 C ATOM 1738 CG GLU A 116 -2.877 -2.623 12.297 1.00 0.00 C ATOM 1739 CD GLU A 116 -2.689 -3.197 13.688 1.00 0.00 C ATOM 1740 OE1 GLU A 116 -3.703 -3.380 14.395 1.00 0.00 O ATOM 1741 OE2 GLU A 116 -1.530 -3.462 14.070 1.00 0.00 O ATOM 0 H GLU A 116 -2.475 -3.139 9.356 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.527 -5.168 11.416 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.307 -2.804 10.716 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.608 -3.862 12.081 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -1.909 -2.558 11.801 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.264 -1.607 12.376 1.00 0.00 H new ATOM 1748 N LYS A 117 -4.873 -5.059 9.081 1.00 0.00 N ATOM 1749 CA LYS A 117 -5.902 -5.851 8.418 1.00 0.00 C ATOM 1750 C LYS A 117 -5.440 -7.291 8.223 1.00 0.00 C ATOM 1751 O LYS A 117 -6.253 -8.215 8.183 1.00 0.00 O ATOM 1752 CB LYS A 117 -6.258 -5.231 7.065 1.00 0.00 C ATOM 1753 CG LYS A 117 -7.686 -5.506 6.626 1.00 0.00 C ATOM 1754 CD LYS A 117 -8.687 -4.743 7.478 1.00 0.00 C ATOM 1755 CE LYS A 117 -10.061 -5.396 7.442 1.00 0.00 C ATOM 1756 NZ LYS A 117 -10.860 -4.942 6.271 1.00 0.00 N ATOM 0 H LYS A 117 -4.742 -4.126 8.690 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.787 -5.856 9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.104 -4.153 7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.574 -5.614 6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -7.807 -5.224 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -7.889 -6.575 6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.331 -4.698 8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -8.762 -3.716 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -9.947 -6.479 7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.598 -5.162 8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -11.731 -5.506 6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.106 -3.938 6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -10.302 -5.064 5.402 1.00 0.00 H new ATOM 1770 N LEU A 118 -4.130 -7.476 8.104 1.00 0.00 N ATOM 1771 CA LEU A 118 -3.559 -8.805 7.915 1.00 0.00 C ATOM 1772 C LEU A 118 -3.166 -9.424 9.253 1.00 0.00 C ATOM 1773 O LEU A 118 -3.456 -10.590 9.517 1.00 0.00 O ATOM 1774 CB LEU A 118 -2.338 -8.731 6.997 1.00 0.00 C ATOM 1775 CG LEU A 118 -2.586 -8.175 5.594 1.00 0.00 C ATOM 1776 CD1 LEU A 118 -1.299 -7.618 5.006 1.00 0.00 C ATOM 1777 CD2 LEU A 118 -3.166 -9.251 4.688 1.00 0.00 C ATOM 0 H LEU A 118 -3.443 -6.723 8.135 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.317 -9.437 7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.581 -8.115 7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.920 -9.733 6.900 1.00 0.00 H new ATOM 0 HG LEU A 118 -3.309 -7.363 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.495 -7.227 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.925 -6.816 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.554 -8.411 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.336 -8.837 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.467 -10.085 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.111 -9.603 5.101 1.00 0.00 H new ATOM 1789 N ASN A 119 -2.506 -8.634 10.094 1.00 0.00 N ATOM 1790 CA ASN A 119 -2.075 -9.105 11.405 1.00 0.00 C ATOM 1791 C ASN A 119 -3.276 -9.387 12.304 1.00 0.00 C ATOM 1792 O ASN A 119 -3.141 -10.001 13.361 1.00 0.00 O ATOM 1793 CB ASN A 119 -1.161 -8.070 12.066 1.00 0.00 C ATOM 1794 CG ASN A 119 -1.941 -6.984 12.781 1.00 0.00 C ATOM 1795 OD1 ASN A 119 -3.158 -6.875 12.630 1.00 0.00 O ATOM 1796 ND2 ASN A 119 -1.240 -6.173 13.566 1.00 0.00 N ATOM 0 H ASN A 119 -2.258 -7.666 9.891 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.522 -10.034 11.266 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -0.504 -8.571 12.778 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -0.523 -7.616 11.308 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -1.709 -5.423 14.073 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.232 -6.301 13.661 1.00 0.00 H new ATOM 1803 N GLU A 120 -4.449 -8.934 11.874 1.00 0.00 N ATOM 1804 CA GLU A 120 -5.673 -9.137 12.639 1.00 0.00 C ATOM 1805 C GLU A 120 -6.297 -10.493 12.318 1.00 0.00 C ATOM 1806 O GLU A 120 -6.762 -11.201 13.211 1.00 0.00 O ATOM 1807 CB GLU A 120 -6.676 -8.020 12.347 1.00 0.00 C ATOM 1808 CG GLU A 120 -7.607 -8.326 11.186 1.00 0.00 C ATOM 1809 CD GLU A 120 -8.554 -7.182 10.880 1.00 0.00 C ATOM 1810 OE1 GLU A 120 -8.239 -6.034 11.254 1.00 0.00 O ATOM 1811 OE2 GLU A 120 -9.611 -7.436 10.265 1.00 0.00 O ATOM 0 H GLU A 120 -4.577 -8.424 11.000 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.416 -9.116 13.698 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.272 -7.836 13.241 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.131 -7.101 12.132 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.014 -8.549 10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.186 -9.220 11.416 1.00 0.00 H new ATOM 1818 N ILE A 121 -6.303 -10.845 11.037 1.00 0.00 N ATOM 1819 CA ILE A 121 -6.868 -12.115 10.598 1.00 0.00 C ATOM 1820 C ILE A 121 -5.955 -13.280 10.964 1.00 0.00 C ATOM 1821 O ILE A 121 -6.362 -14.205 11.667 1.00 0.00 O ATOM 1822 CB ILE A 121 -7.112 -12.126 9.077 1.00 0.00 C ATOM 1823 CG1 ILE A 121 -8.035 -10.973 8.677 1.00 0.00 C ATOM 1824 CG2 ILE A 121 -7.704 -13.460 8.645 1.00 0.00 C ATOM 1825 CD1 ILE A 121 -7.841 -10.512 7.250 1.00 0.00 C ATOM 0 H ILE A 121 -5.923 -10.269 10.285 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.822 -12.230 11.112 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.156 -11.993 8.570 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.071 -11.284 8.812 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -7.864 -10.132 9.349 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -7.871 -13.452 7.568 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -7.013 -14.264 8.900 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.652 -13.620 9.158 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -8.528 -9.693 7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -6.815 -10.170 7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -8.040 -11.340 6.570 1.00 0.00 H new ATOM 1837 N VAL A 122 -4.717 -13.227 10.484 1.00 0.00 N ATOM 1838 CA VAL A 122 -3.743 -14.276 10.763 1.00 0.00 C ATOM 1839 C VAL A 122 -3.829 -14.734 12.215 1.00 0.00 C ATOM 1840 O VAL A 122 -3.633 -15.910 12.518 1.00 0.00 O ATOM 1841 CB VAL A 122 -2.308 -13.803 10.469 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -1.853 -12.797 11.515 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -1.357 -14.989 10.409 1.00 0.00 C ATOM 0 H VAL A 122 -4.364 -12.469 9.900 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.983 -15.113 10.107 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.299 -13.310 9.497 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.836 -12.474 11.291 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.519 -11.934 11.504 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.877 -13.261 12.501 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -0.347 -14.636 10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.368 -15.513 11.365 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.674 -15.670 9.619 1.00 0.00 H new ATOM 1853 N ASP A 123 -4.124 -13.796 13.108 1.00 0.00 N ATOM 1854 CA ASP A 123 -4.238 -14.102 14.529 1.00 0.00 C ATOM 1855 C ASP A 123 -5.554 -14.813 14.828 1.00 0.00 C ATOM 1856 O ASP A 123 -5.593 -15.760 15.613 1.00 0.00 O ATOM 1857 CB ASP A 123 -4.136 -12.821 15.358 1.00 0.00 C ATOM 1858 CG ASP A 123 -3.721 -13.090 16.791 1.00 0.00 C ATOM 1859 OD1 ASP A 123 -4.128 -14.135 17.340 1.00 0.00 O ATOM 1860 OD2 ASP A 123 -2.988 -12.256 17.364 1.00 0.00 O ATOM 0 H ASP A 123 -4.289 -12.817 12.873 1.00 0.00 H new ATOM 0 HA ASP A 123 -3.417 -14.767 14.799 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.415 -12.148 14.894 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.099 -12.310 15.352 1.00 0.00 H new ATOM 1865 N GLN A 124 -6.628 -14.348 14.198 1.00 0.00 N ATOM 1866 CA GLN A 124 -7.946 -14.939 14.399 1.00 0.00 C ATOM 1867 C GLN A 124 -7.919 -16.438 14.116 1.00 0.00 C ATOM 1868 O GLN A 124 -8.528 -17.227 14.839 1.00 0.00 O ATOM 1869 CB GLN A 124 -8.977 -14.257 13.498 1.00 0.00 C ATOM 1870 CG GLN A 124 -9.564 -12.989 14.098 1.00 0.00 C ATOM 1871 CD GLN A 124 -10.737 -13.268 15.017 1.00 0.00 C ATOM 1872 OE1 GLN A 124 -10.632 -14.060 15.953 1.00 0.00 O ATOM 1873 NE2 GLN A 124 -11.863 -12.615 14.754 1.00 0.00 N ATOM 0 H GLN A 124 -6.612 -13.565 13.545 1.00 0.00 H new ATOM 0 HA GLN A 124 -8.229 -14.789 15.441 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -8.510 -14.015 12.543 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.785 -14.958 13.289 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -8.789 -12.462 14.654 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -9.886 -12.327 13.295 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -11.905 -11.967 13.967 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.686 -12.761 15.339 1.00 0.00 H new