USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 881 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 114 THR OG1 : rot 171:sc= 0.0291 USER MOD Set 1.2: A 135 ASN : amide:sc= -0.637 X(o=-0.61,f=-0.99) USER MOD Set 2.1: A 81 SER OG : rot -23:sc= 0.443 USER MOD Set 2.2: A 82 GLN : amide:sc= 0 X(o=0.44,f=0.42) USER MOD Set 3.1: A 70 THR OG1 : rot 171:sc= 0.174 USER MOD Set 3.2: A 72 SER OG : rot -65:sc= 0.915 USER MOD Set 4.1: A 2 GLN : amide:sc= 0.186 X(o=0.34,f=0.59) USER MOD Set 4.2: A 20 SER OG : rot -124:sc= 0.153 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 7 ASN : amide:sc= 0.687 K(o=0.69,f=-3.7!) USER MOD Single : A 13 SER OG : rot -69:sc= 0.538 USER MOD Single : A 18 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.3) USER MOD Single : A 47 THR OG1 : rot 122:sc= 0.59 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 17:sc= 0.676 USER MOD Single : A 64 HIS : no HD1:sc= -0.282 X(o=-0.28,f=0.038) USER MOD Single : A 66 SER OG : rot 180:sc= -0.167 USER MOD Single : A 84 LYS NZ :NH3+ -121:sc= 0.815 (180deg=0.341) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -63:sc= 1.09 USER MOD Single : A 106 SER OG : rot 180:sc= -0.129 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 153:sc= 0.109 (180deg=0.0033) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 146:sc= 1.23 USER MOD Single : A 136 HIS : no HE2:sc= 0.801 K(o=0.8,f=-2.5!) USER MOD Single : A 139 THR OG1 : rot -7:sc= 0.0592 USER MOD Single : A 141 SER OG : rot 180:sc= 0.312 USER MOD Single : A 144 ASN :FLIP amide:sc= -0.395 F(o=-1.2,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 13 N GLN A 2 -12.064 13.953 3.953 1.00 25.00 N ATOM 14 CA GLN A 2 -10.753 14.051 3.280 1.00 25.00 C ATOM 15 C GLN A 2 -9.815 15.017 4.037 1.00 25.00 C ATOM 16 O GLN A 2 -10.261 15.792 4.885 1.00 25.00 O ATOM 17 CB GLN A 2 -10.921 14.392 1.778 1.00 25.00 C ATOM 18 CG GLN A 2 -10.354 15.743 1.315 1.00 25.00 C ATOM 19 CD GLN A 2 -10.718 16.058 -0.117 1.00 25.00 C ATOM 20 OE1 GLN A 2 -10.593 15.224 -1.001 1.00 25.00 O ATOM 21 NE2 GLN A 2 -11.172 17.259 -0.352 1.00 25.00 N ATOM 0 HA GLN A 2 -10.266 13.076 3.310 1.00 25.00 H new ATOM 0 HB2 GLN A 2 -10.446 13.604 1.194 1.00 25.00 H new ATOM 0 HB3 GLN A 2 -11.984 14.368 1.539 1.00 25.00 H new ATOM 0 HG2 GLN A 2 -10.729 16.534 1.965 1.00 25.00 H new ATOM 0 HG3 GLN A 2 -9.269 15.733 1.418 1.00 25.00 H new ATOM 0 HE21 GLN A 2 -11.262 17.929 0.412 1.00 25.00 H new ATOM 0 HE22 GLN A 2 -11.436 17.528 -1.300 1.00 25.00 H new ATOM 30 N GLY A 3 -8.515 14.888 3.806 1.00 25.00 N ATOM 31 CA GLY A 3 -7.529 15.680 4.523 1.00 25.00 C ATOM 32 C GLY A 3 -7.048 16.904 3.772 1.00 25.00 C ATOM 33 O GLY A 3 -7.614 17.304 2.759 1.00 25.00 O ATOM 0 H GLY A 3 -8.120 14.240 3.125 1.00 25.00 H new ATOM 0 HA2 GLY A 3 -7.956 15.996 5.474 1.00 25.00 H new ATOM 0 HA3 GLY A 3 -6.671 15.049 4.753 1.00 25.00 H new ATOM 37 N THR A 4 -5.960 17.473 4.266 1.00 25.00 N ATOM 38 CA THR A 4 -5.294 18.618 3.645 1.00 25.00 C ATOM 39 C THR A 4 -3.843 18.169 3.446 1.00 25.00 C ATOM 40 O THR A 4 -3.532 17.008 3.684 1.00 25.00 O ATOM 41 CB THR A 4 -5.433 19.897 4.536 1.00 25.00 C ATOM 42 OG1 THR A 4 -4.742 20.996 3.935 1.00 25.00 O ATOM 43 CG2 THR A 4 -4.881 19.680 5.943 1.00 25.00 C ATOM 0 H THR A 4 -5.505 17.152 5.121 1.00 25.00 H new ATOM 0 HA THR A 4 -5.739 18.903 2.692 1.00 25.00 H new ATOM 0 HB THR A 4 -6.498 20.115 4.614 1.00 25.00 H new ATOM 0 HG1 THR A 4 -4.837 21.791 4.500 1.00 25.00 H new ATOM 0 HG21 THR A 4 -4.999 20.594 6.525 1.00 25.00 H new ATOM 0 HG22 THR A 4 -5.426 18.869 6.427 1.00 25.00 H new ATOM 0 HG23 THR A 4 -3.824 19.422 5.883 1.00 25.00 H new ATOM 51 N ASP A 5 -2.946 19.036 3.009 1.00 25.00 N ATOM 52 CA ASP A 5 -1.562 18.619 2.744 1.00 25.00 C ATOM 53 C ASP A 5 -0.677 18.637 3.985 1.00 25.00 C ATOM 54 O ASP A 5 0.497 18.279 3.950 1.00 25.00 O ATOM 55 CB ASP A 5 -0.969 19.456 1.615 1.00 25.00 C ATOM 56 CG ASP A 5 -1.487 19.027 0.253 1.00 25.00 C ATOM 57 OD1 ASP A 5 -1.811 17.820 0.089 1.00 25.00 O ATOM 58 OD2 ASP A 5 -1.583 19.877 -0.646 1.00 25.00 O ATOM 0 H ASP A 5 -3.138 20.022 2.829 1.00 25.00 H new ATOM 0 HA ASP A 5 -1.596 17.576 2.430 1.00 25.00 H new ATOM 0 HB2 ASP A 5 -1.208 20.507 1.779 1.00 25.00 H new ATOM 0 HB3 ASP A 5 0.117 19.370 1.633 1.00 25.00 H new ATOM 63 N GLY A 6 -1.307 18.939 5.106 1.00 25.00 N ATOM 64 CA GLY A 6 -0.666 18.819 6.410 1.00 25.00 C ATOM 65 C GLY A 6 -0.810 17.391 6.906 1.00 25.00 C ATOM 66 O GLY A 6 -1.255 16.529 6.150 1.00 25.00 O ATOM 0 H GLY A 6 -2.270 19.272 5.142 1.00 25.00 H new ATOM 0 HA2 GLY A 6 0.388 19.087 6.337 1.00 25.00 H new ATOM 0 HA3 GLY A 6 -1.122 19.511 7.118 1.00 25.00 H new ATOM 70 N ASN A 7 -0.475 17.116 8.156 1.00 25.00 N ATOM 71 CA ASN A 7 -0.648 15.763 8.707 1.00 25.00 C ATOM 72 C ASN A 7 -2.077 15.647 9.241 1.00 25.00 C ATOM 73 O ASN A 7 -2.530 16.526 9.964 1.00 25.00 O ATOM 74 CB ASN A 7 0.347 15.500 9.844 1.00 25.00 C ATOM 75 CG ASN A 7 1.773 15.345 9.356 1.00 25.00 C ATOM 76 OD1 ASN A 7 2.060 15.419 8.169 1.00 25.00 O ATOM 77 ND2 ASN A 7 2.676 15.138 10.275 1.00 25.00 N ATOM 0 H ASN A 7 -0.086 17.796 8.809 1.00 25.00 H new ATOM 0 HA ASN A 7 -0.465 15.027 7.924 1.00 25.00 H new ATOM 0 HB2 ASN A 7 0.300 16.322 10.558 1.00 25.00 H new ATOM 0 HB3 ASN A 7 0.051 14.597 10.378 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.656 15.032 10.012 1.00 25.00 H new ATOM 0 HD22 ASN A 7 2.402 15.082 11.256 1.00 25.00 H new ATOM 84 N ASP A 8 -2.782 14.588 8.864 1.00 25.00 N ATOM 85 CA ASP A 8 -4.194 14.407 9.236 1.00 25.00 C ATOM 86 C ASP A 8 -4.466 13.056 9.884 1.00 25.00 C ATOM 87 O ASP A 8 -3.794 12.065 9.592 1.00 25.00 O ATOM 88 CB ASP A 8 -5.084 14.461 7.990 1.00 25.00 C ATOM 89 CG ASP A 8 -4.991 15.768 7.256 1.00 25.00 C ATOM 90 OD1 ASP A 8 -5.516 16.784 7.730 1.00 50.00 O ATOM 91 OD2 ASP A 8 -4.451 15.757 6.128 1.00 50.00 O ATOM 0 H ASP A 8 -2.402 13.831 8.296 1.00 25.00 H new ATOM 0 HA ASP A 8 -4.414 15.209 9.941 1.00 25.00 H new ATOM 0 HB2 ASP A 8 -4.804 13.652 7.316 1.00 25.00 H new ATOM 0 HB3 ASP A 8 -6.120 14.288 8.283 1.00 25.00 H new ATOM 96 N VAL A 9 -5.536 12.998 10.661 1.00 25.00 N ATOM 97 CA VAL A 9 -6.083 11.733 11.151 1.00 25.00 C ATOM 98 C VAL A 9 -7.536 11.756 10.703 1.00 25.00 C ATOM 99 O VAL A 9 -8.284 12.666 11.057 1.00 25.00 O ATOM 100 CB VAL A 9 -5.978 11.589 12.694 1.00 25.00 C ATOM 101 CG1 VAL A 9 -6.600 10.257 13.157 1.00 25.00 C ATOM 102 CG2 VAL A 9 -4.504 11.655 13.138 1.00 25.00 C ATOM 0 H VAL A 9 -6.052 13.821 10.972 1.00 25.00 H new ATOM 0 HA VAL A 9 -5.527 10.882 10.758 1.00 25.00 H new ATOM 0 HB VAL A 9 -6.527 12.412 13.151 1.00 25.00 H new ATOM 0 HG11 VAL A 9 -6.517 10.174 14.241 1.00 25.00 H new ATOM 0 HG12 VAL A 9 -7.651 10.227 12.870 1.00 25.00 H new ATOM 0 HG13 VAL A 9 -6.072 9.427 12.688 1.00 25.00 H new ATOM 0 HG21 VAL A 9 -4.445 11.553 14.222 1.00 25.00 H new ATOM 0 HG22 VAL A 9 -3.945 10.846 12.667 1.00 25.00 H new ATOM 0 HG23 VAL A 9 -4.077 12.613 12.840 1.00 25.00 H new ATOM 112 N LEU A 10 -7.901 10.817 9.845 1.00 25.00 N ATOM 113 CA LEU A 10 -9.220 10.793 9.222 1.00 25.00 C ATOM 114 C LEU A 10 -9.889 9.476 9.554 1.00 25.00 C ATOM 115 O LEU A 10 -9.255 8.434 9.472 1.00 25.00 O ATOM 116 CB LEU A 10 -9.061 10.921 7.701 1.00 25.00 C ATOM 117 CG LEU A 10 -8.318 12.181 7.217 1.00 25.00 C ATOM 118 CD1 LEU A 10 -7.975 12.039 5.746 1.00 25.00 C ATOM 119 CD2 LEU A 10 -9.150 13.446 7.445 1.00 25.00 C ATOM 0 H LEU A 10 -7.294 10.049 9.559 1.00 25.00 H new ATOM 0 HA LEU A 10 -9.827 11.619 9.592 1.00 25.00 H new ATOM 0 HB2 LEU A 10 -8.530 10.043 7.333 1.00 25.00 H new ATOM 0 HB3 LEU A 10 -10.052 10.907 7.247 1.00 25.00 H new ATOM 0 HG LEU A 10 -7.401 12.279 7.798 1.00 25.00 H new ATOM 0 HD11 LEU A 10 -7.450 12.932 5.407 1.00 25.00 H new ATOM 0 HD12 LEU A 10 -7.337 11.167 5.604 1.00 25.00 H new ATOM 0 HD13 LEU A 10 -8.892 11.916 5.169 1.00 25.00 H new ATOM 0 HD21 LEU A 10 -8.595 14.315 7.092 1.00 25.00 H new ATOM 0 HD22 LEU A 10 -10.089 13.368 6.897 1.00 25.00 H new ATOM 0 HD23 LEU A 10 -9.359 13.557 8.509 1.00 25.00 H new ATOM 131 N ILE A 11 -11.157 9.519 9.937 1.00 25.00 N ATOM 132 CA ILE A 11 -11.905 8.310 10.284 1.00 25.00 C ATOM 133 C ILE A 11 -13.227 8.353 9.528 1.00 25.00 C ATOM 134 O ILE A 11 -13.958 9.342 9.611 1.00 25.00 O ATOM 135 CB ILE A 11 -12.176 8.215 11.824 1.00 25.00 C ATOM 136 CG1 ILE A 11 -10.842 8.257 12.610 1.00 25.00 C ATOM 137 CG2 ILE A 11 -12.956 6.910 12.161 1.00 25.00 C ATOM 138 CD1 ILE A 11 -10.998 8.391 14.135 1.00 25.00 C ATOM 0 H ILE A 11 -11.696 10.381 10.017 1.00 25.00 H new ATOM 0 HA ILE A 11 -11.320 7.433 10.008 1.00 25.00 H new ATOM 0 HB ILE A 11 -12.784 9.070 12.119 1.00 25.00 H new ATOM 0 HG12 ILE A 11 -10.280 7.348 12.394 1.00 25.00 H new ATOM 0 HG13 ILE A 11 -10.247 9.094 12.244 1.00 25.00 H new ATOM 0 HG21 ILE A 11 -13.136 6.860 13.235 1.00 25.00 H new ATOM 0 HG22 ILE A 11 -13.910 6.910 11.633 1.00 25.00 H new ATOM 0 HG23 ILE A 11 -12.369 6.045 11.851 1.00 25.00 H new ATOM 0 HD11 ILE A 11 -10.013 8.412 14.601 1.00 25.00 H new ATOM 0 HD12 ILE A 11 -11.529 9.314 14.367 1.00 25.00 H new ATOM 0 HD13 ILE A 11 -11.563 7.542 14.519 1.00 25.00 H new ATOM 150 N GLY A 12 -13.508 7.308 8.765 1.00 25.00 N ATOM 151 CA GLY A 12 -14.727 7.248 7.983 1.00 25.00 C ATOM 152 C GLY A 12 -15.914 6.714 8.759 1.00 25.00 C ATOM 153 O GLY A 12 -15.768 5.990 9.743 1.00 25.00 O ATOM 0 H GLY A 12 -12.906 6.490 8.673 1.00 25.00 H new ATOM 0 HA2 GLY A 12 -14.963 8.246 7.614 1.00 25.00 H new ATOM 0 HA3 GLY A 12 -14.559 6.617 7.110 1.00 25.00 H new ATOM 157 N SER A 13 -17.097 7.070 8.287 1.00 25.00 N ATOM 158 CA SER A 13 -18.359 6.625 8.866 1.00 25.00 C ATOM 159 C SER A 13 -18.727 5.246 8.310 1.00 25.00 C ATOM 160 O SER A 13 -17.993 4.672 7.503 1.00 25.00 O ATOM 161 CB SER A 13 -19.451 7.636 8.524 1.00 25.00 C ATOM 162 OG SER A 13 -19.636 7.718 7.124 1.00 25.00 O ATOM 0 H SER A 13 -17.212 7.684 7.481 1.00 25.00 H new ATOM 0 HA SER A 13 -18.260 6.551 9.949 1.00 25.00 H new ATOM 0 HB2 SER A 13 -20.386 7.345 9.003 1.00 25.00 H new ATOM 0 HB3 SER A 13 -19.183 8.616 8.918 1.00 25.00 H new ATOM 0 HG SER A 13 -18.848 8.132 6.714 1.00 25.00 H new ATOM 168 N ASP A 14 -19.864 4.713 8.724 1.00 25.00 N ATOM 169 CA ASP A 14 -20.277 3.368 8.315 1.00 25.00 C ATOM 170 C ASP A 14 -20.751 3.240 6.865 1.00 25.00 C ATOM 171 O ASP A 14 -20.843 2.133 6.339 1.00 25.00 O ATOM 172 CB ASP A 14 -21.388 2.886 9.241 1.00 25.00 C ATOM 173 CG ASP A 14 -20.916 2.747 10.666 1.00 25.00 C ATOM 174 OD1 ASP A 14 -19.915 2.034 10.897 1.00 25.00 O ATOM 175 OD2 ASP A 14 -21.492 3.417 11.546 1.00 25.00 O ATOM 0 H ASP A 14 -20.522 5.186 9.343 1.00 25.00 H new ATOM 0 HA ASP A 14 -19.380 2.753 8.387 1.00 25.00 H new ATOM 0 HB2 ASP A 14 -22.222 3.587 9.202 1.00 25.00 H new ATOM 0 HB3 ASP A 14 -21.763 1.925 8.888 1.00 25.00 H new ATOM 180 N VAL A 15 -21.036 4.353 6.205 1.00 25.00 N ATOM 181 CA VAL A 15 -21.461 4.309 4.802 1.00 25.00 C ATOM 182 C VAL A 15 -20.226 4.254 3.905 1.00 25.00 C ATOM 183 O VAL A 15 -19.100 4.460 4.375 1.00 25.00 O ATOM 184 CB VAL A 15 -22.354 5.532 4.413 1.00 25.00 C ATOM 185 CG1 VAL A 15 -23.641 5.534 5.256 1.00 25.00 C ATOM 186 CG2 VAL A 15 -21.612 6.859 4.597 1.00 25.00 C ATOM 0 H VAL A 15 -20.984 5.289 6.606 1.00 25.00 H new ATOM 0 HA VAL A 15 -22.068 3.415 4.663 1.00 25.00 H new ATOM 0 HB VAL A 15 -22.606 5.433 3.357 1.00 25.00 H new ATOM 0 HG11 VAL A 15 -24.257 6.389 4.978 1.00 25.00 H new ATOM 0 HG12 VAL A 15 -24.196 4.613 5.075 1.00 25.00 H new ATOM 0 HG13 VAL A 15 -23.383 5.601 6.313 1.00 25.00 H new ATOM 0 HG21 VAL A 15 -22.267 7.684 4.316 1.00 25.00 H new ATOM 0 HG22 VAL A 15 -21.317 6.969 5.640 1.00 25.00 H new ATOM 0 HG23 VAL A 15 -20.724 6.870 3.966 1.00 25.00 H new ATOM 196 N GLY A 16 -20.421 3.965 2.624 1.00 25.00 N ATOM 197 CA GLY A 16 -19.305 3.938 1.694 1.00 25.00 C ATOM 198 C GLY A 16 -18.800 5.340 1.418 1.00 25.00 C ATOM 199 O GLY A 16 -19.601 6.266 1.286 1.00 25.00 O ATOM 0 H GLY A 16 -21.329 3.749 2.212 1.00 25.00 H new ATOM 0 HA2 GLY A 16 -18.498 3.330 2.104 1.00 25.00 H new ATOM 0 HA3 GLY A 16 -19.615 3.468 0.761 1.00 25.00 H new ATOM 203 N GLU A 17 -17.486 5.513 1.384 1.00 25.00 N ATOM 204 CA GLU A 17 -16.867 6.836 1.245 1.00 25.00 C ATOM 205 C GLU A 17 -15.611 6.767 0.382 1.00 25.00 C ATOM 206 O GLU A 17 -15.046 5.700 0.172 1.00 25.00 O ATOM 207 CB GLU A 17 -16.441 7.360 2.625 1.00 25.00 C ATOM 208 CG GLU A 17 -17.584 7.656 3.589 1.00 25.00 C ATOM 209 CD GLU A 17 -17.149 7.541 5.028 1.00 25.00 C ATOM 210 OE1 GLU A 17 -16.658 6.451 5.404 1.00 50.00 O ATOM 211 OE2 GLU A 17 -17.349 8.490 5.816 1.00 50.00 O ATOM 0 H GLU A 17 -16.816 4.747 1.451 1.00 25.00 H new ATOM 0 HA GLU A 17 -17.603 7.493 0.782 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -15.779 6.627 3.086 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -15.859 8.271 2.486 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -17.964 8.661 3.404 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -18.405 6.965 3.402 1.00 25.00 H new ATOM 218 N GLN A 18 -15.124 7.929 -0.024 1.00 25.00 N ATOM 219 CA GLN A 18 -13.830 8.056 -0.671 1.00 25.00 C ATOM 220 C GLN A 18 -13.078 9.020 0.236 1.00 25.00 C ATOM 221 O GLN A 18 -13.607 10.071 0.602 1.00 25.00 O ATOM 222 CB GLN A 18 -13.991 8.599 -2.098 1.00 25.00 C ATOM 223 CG GLN A 18 -12.674 8.791 -2.859 1.00 25.00 C ATOM 224 CD GLN A 18 -11.970 10.083 -2.495 1.00 25.00 C ATOM 225 OE1 GLN A 18 -12.588 11.126 -2.364 1.00 25.00 O ATOM 226 NE2 GLN A 18 -10.685 10.017 -2.324 1.00 25.00 N ATOM 0 H GLN A 18 -15.619 8.814 0.087 1.00 25.00 H new ATOM 0 HA GLN A 18 -13.302 7.110 -0.789 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -14.626 7.917 -2.663 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -14.512 9.555 -2.052 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -12.013 7.950 -2.650 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -12.874 8.780 -3.931 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -10.200 9.128 -2.442 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -10.160 10.855 -2.072 1.00 25.00 H new ATOM 235 N ILE A 19 -11.899 8.617 0.683 1.00 25.00 N ATOM 236 CA ILE A 19 -11.126 9.401 1.640 1.00 25.00 C ATOM 237 C ILE A 19 -9.721 9.569 1.091 1.00 25.00 C ATOM 238 O ILE A 19 -9.017 8.593 0.856 1.00 25.00 O ATOM 239 CB ILE A 19 -11.045 8.690 3.029 1.00 25.00 C ATOM 240 CG1 ILE A 19 -12.463 8.357 3.553 1.00 25.00 C ATOM 241 CG2 ILE A 19 -10.285 9.580 4.056 1.00 25.00 C ATOM 242 CD1 ILE A 19 -12.488 7.474 4.807 1.00 25.00 C ATOM 0 H ILE A 19 -11.452 7.746 0.397 1.00 25.00 H new ATOM 0 HA ILE A 19 -11.615 10.365 1.781 1.00 25.00 H new ATOM 0 HB ILE A 19 -10.494 7.758 2.904 1.00 25.00 H new ATOM 0 HG12 ILE A 19 -12.984 9.289 3.770 1.00 25.00 H new ATOM 0 HG13 ILE A 19 -13.021 7.857 2.761 1.00 25.00 H new ATOM 0 HG21 ILE A 19 -10.239 9.068 5.017 1.00 25.00 H new ATOM 0 HG22 ILE A 19 -9.273 9.768 3.696 1.00 25.00 H new ATOM 0 HG23 ILE A 19 -10.810 10.528 4.175 1.00 25.00 H new ATOM 0 HD11 ILE A 19 -13.521 7.292 5.103 1.00 25.00 H new ATOM 0 HD12 ILE A 19 -11.999 6.524 4.593 1.00 25.00 H new ATOM 0 HD13 ILE A 19 -11.962 7.978 5.618 1.00 25.00 H new ATOM 254 N SER A 20 -9.305 10.810 0.909 1.00 25.00 N ATOM 255 CA SER A 20 -7.956 11.100 0.443 1.00 25.00 C ATOM 256 C SER A 20 -7.174 11.736 1.580 1.00 25.00 C ATOM 257 O SER A 20 -7.700 12.564 2.326 1.00 25.00 O ATOM 258 CB SER A 20 -7.995 12.039 -0.764 1.00 25.00 C ATOM 259 OG SER A 20 -8.551 13.287 -0.400 1.00 25.00 O ATOM 0 H SER A 20 -9.881 11.635 1.076 1.00 25.00 H new ATOM 0 HA SER A 20 -7.471 10.175 0.133 1.00 25.00 H new ATOM 0 HB2 SER A 20 -6.987 12.183 -1.154 1.00 25.00 H new ATOM 0 HB3 SER A 20 -8.585 11.590 -1.563 1.00 25.00 H new ATOM 0 HG SER A 20 -9.313 13.488 -0.983 1.00 25.00 H new ATOM 265 N GLY A 21 -5.924 11.332 1.729 1.00 25.00 N ATOM 266 CA GLY A 21 -5.080 11.890 2.770 1.00 25.00 C ATOM 267 C GLY A 21 -4.304 13.094 2.281 1.00 25.00 C ATOM 268 O GLY A 21 -3.907 13.941 3.076 1.00 25.00 O ATOM 0 H GLY A 21 -5.474 10.625 1.147 1.00 25.00 H new ATOM 0 HA2 GLY A 21 -5.696 12.177 3.622 1.00 25.00 H new ATOM 0 HA3 GLY A 21 -4.385 11.128 3.121 1.00 25.00 H new ATOM 272 N GLY A 22 -4.059 13.167 0.979 1.00 25.00 N ATOM 273 CA GLY A 22 -3.261 14.254 0.424 1.00 25.00 C ATOM 274 C GLY A 22 -1.797 14.093 0.798 1.00 25.00 C ATOM 275 O GLY A 22 -1.360 12.986 1.169 1.00 25.00 O ATOM 0 H GLY A 22 -4.398 12.493 0.292 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -3.364 14.270 -0.661 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -3.633 15.210 0.794 1.00 25.00 H new ATOM 279 N ALA A 23 -1.026 15.168 0.741 1.00 25.00 N ATOM 280 CA ALA A 23 0.375 15.122 1.149 1.00 25.00 C ATOM 281 C ALA A 23 0.440 15.039 2.681 1.00 25.00 C ATOM 282 O ALA A 23 -0.595 14.981 3.356 1.00 25.00 O ATOM 283 CB ALA A 23 1.127 16.355 0.635 1.00 25.00 C ATOM 0 H ALA A 23 -1.343 16.082 0.418 1.00 25.00 H new ATOM 0 HA ALA A 23 0.855 14.243 0.719 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.169 16.303 0.949 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.077 16.384 -0.453 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.670 17.256 1.043 1.00 25.00 H new ATOM 289 N GLY A 24 1.645 14.992 3.223 1.00 25.00 N ATOM 290 CA GLY A 24 1.816 14.869 4.662 1.00 25.00 C ATOM 291 C GLY A 24 1.668 13.433 5.129 1.00 25.00 C ATOM 292 O GLY A 24 1.250 12.549 4.363 1.00 25.00 O ATOM 0 H GLY A 24 2.515 15.037 2.693 1.00 25.00 H new ATOM 0 HA2 GLY A 24 2.800 15.243 4.944 1.00 25.00 H new ATOM 0 HA3 GLY A 24 1.081 15.493 5.170 1.00 25.00 H new ATOM 296 N ASP A 25 2.028 13.195 6.378 1.00 25.00 N ATOM 297 CA ASP A 25 1.986 11.861 6.973 1.00 25.00 C ATOM 298 C ASP A 25 0.640 11.693 7.665 1.00 25.00 C ATOM 299 O ASP A 25 0.350 12.397 8.628 1.00 25.00 O ATOM 300 CB ASP A 25 3.111 11.704 8.002 1.00 25.00 C ATOM 301 CG ASP A 25 4.495 11.713 7.371 1.00 25.00 C ATOM 302 OD1 ASP A 25 4.653 11.280 6.208 1.00 25.00 O ATOM 303 OD2 ASP A 25 5.457 12.053 8.080 1.00 25.00 O ATOM 0 H ASP A 25 2.359 13.920 7.014 1.00 25.00 H new ATOM 0 HA ASP A 25 2.117 11.106 6.198 1.00 25.00 H new ATOM 0 HB2 ASP A 25 3.045 12.511 8.732 1.00 25.00 H new ATOM 0 HB3 ASP A 25 2.971 10.770 8.546 1.00 25.00 H new ATOM 308 N ASP A 26 -0.201 10.806 7.153 1.00 25.00 N ATOM 309 CA ASP A 26 -1.591 10.724 7.608 1.00 25.00 C ATOM 310 C ASP A 26 -2.000 9.360 8.142 1.00 25.00 C ATOM 311 O ASP A 26 -1.341 8.355 7.887 1.00 25.00 O ATOM 312 CB ASP A 26 -2.512 11.041 6.426 1.00 25.00 C ATOM 313 CG ASP A 26 -2.136 12.319 5.732 1.00 25.00 C ATOM 314 OD1 ASP A 26 -2.066 13.368 6.392 1.00 50.00 O ATOM 315 OD2 ASP A 26 -1.941 12.310 4.492 1.00 50.00 O ATOM 0 H ASP A 26 0.048 10.135 6.427 1.00 25.00 H new ATOM 0 HA ASP A 26 -1.679 11.436 8.429 1.00 25.00 H new ATOM 0 HB2 ASP A 26 -2.477 10.219 5.711 1.00 25.00 H new ATOM 0 HB3 ASP A 26 -3.541 11.112 6.780 1.00 25.00 H new ATOM 320 N ARG A 27 -3.155 9.311 8.785 1.00 25.00 N ATOM 321 CA ARG A 27 -3.816 8.047 9.107 1.00 25.00 C ATOM 322 C ARG A 27 -5.214 8.158 8.534 1.00 25.00 C ATOM 323 O ARG A 27 -5.890 9.153 8.758 1.00 25.00 O ATOM 324 CB ARG A 27 -3.876 7.787 10.618 1.00 25.00 C ATOM 325 CG ARG A 27 -4.722 6.551 10.953 1.00 25.00 C ATOM 326 CD ARG A 27 -4.625 6.115 12.405 1.00 25.00 C ATOM 327 NE ARG A 27 -5.611 5.049 12.653 1.00 25.00 N ATOM 328 CZ ARG A 27 -5.677 4.274 13.727 1.00 25.00 C ATOM 329 NH1 ARG A 27 -4.818 4.364 14.715 1.00 25.00 N ATOM 330 NH2 ARG A 27 -6.628 3.390 13.806 1.00 25.00 N ATOM 0 H ARG A 27 -3.662 10.138 9.099 1.00 25.00 H new ATOM 0 HA ARG A 27 -3.260 7.209 8.686 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.866 7.651 11.003 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -4.293 8.660 11.120 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -5.765 6.761 10.716 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -4.410 5.725 10.314 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -3.619 5.756 12.624 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.812 6.962 13.066 1.00 25.00 H new ATOM 0 HE ARG A 27 -6.311 4.892 11.928 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -4.064 5.050 14.674 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -4.904 3.748 15.524 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -7.307 3.302 13.050 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -6.695 2.785 14.624 1.00 25.00 H new ATOM 344 N LEU A 28 -5.619 7.156 7.777 1.00 25.00 N ATOM 345 CA LEU A 28 -6.942 7.105 7.177 1.00 25.00 C ATOM 346 C LEU A 28 -7.577 5.829 7.683 1.00 25.00 C ATOM 347 O LEU A 28 -7.014 4.758 7.505 1.00 25.00 O ATOM 348 CB LEU A 28 -6.872 7.012 5.643 1.00 25.00 C ATOM 349 CG LEU A 28 -6.355 8.178 4.782 1.00 25.00 C ATOM 350 CD1 LEU A 28 -4.841 8.400 4.901 1.00 25.00 C ATOM 351 CD2 LEU A 28 -6.699 7.872 3.322 1.00 25.00 C ATOM 0 H LEU A 28 -5.036 6.348 7.559 1.00 25.00 H new ATOM 0 HA LEU A 28 -7.498 8.006 7.436 1.00 25.00 H new ATOM 0 HB2 LEU A 28 -6.252 6.147 5.408 1.00 25.00 H new ATOM 0 HB3 LEU A 28 -7.880 6.786 5.295 1.00 25.00 H new ATOM 0 HG LEU A 28 -6.833 9.091 5.138 1.00 25.00 H new ATOM 0 HD11 LEU A 28 -4.545 9.237 4.268 1.00 25.00 H new ATOM 0 HD12 LEU A 28 -4.586 8.621 5.937 1.00 25.00 H new ATOM 0 HD13 LEU A 28 -4.315 7.500 4.582 1.00 25.00 H new ATOM 0 HD21 LEU A 28 -6.344 8.683 2.687 1.00 25.00 H new ATOM 0 HD22 LEU A 28 -6.219 6.940 3.023 1.00 25.00 H new ATOM 0 HD23 LEU A 28 -7.779 7.774 3.216 1.00 25.00 H new ATOM 363 N ASP A 29 -8.756 5.932 8.263 1.00 25.00 N ATOM 364 CA ASP A 29 -9.526 4.760 8.652 1.00 25.00 C ATOM 365 C ASP A 29 -10.813 4.873 7.859 1.00 25.00 C ATOM 366 O ASP A 29 -11.363 5.954 7.741 1.00 25.00 O ATOM 367 CB ASP A 29 -9.818 4.737 10.158 1.00 25.00 C ATOM 368 CG ASP A 29 -8.626 4.263 10.990 1.00 25.00 C ATOM 369 OD1 ASP A 29 -7.460 4.517 10.622 1.00 25.00 O ATOM 370 OD2 ASP A 29 -8.859 3.635 12.039 1.00 25.00 O ATOM 0 H ASP A 29 -9.207 6.821 8.478 1.00 25.00 H new ATOM 0 HA ASP A 29 -8.982 3.838 8.448 1.00 25.00 H new ATOM 0 HB2 ASP A 29 -10.106 5.737 10.482 1.00 25.00 H new ATOM 0 HB3 ASP A 29 -10.669 4.083 10.348 1.00 25.00 H new ATOM 375 N GLY A 30 -11.263 3.779 7.274 1.00 25.00 N ATOM 376 CA GLY A 30 -12.447 3.802 6.428 1.00 25.00 C ATOM 377 C GLY A 30 -13.723 3.468 7.171 1.00 25.00 C ATOM 378 O GLY A 30 -14.820 3.847 6.753 1.00 25.00 O ATOM 0 H GLY A 30 -10.828 2.861 7.368 1.00 25.00 H new ATOM 0 HA2 GLY A 30 -12.545 4.791 5.979 1.00 25.00 H new ATOM 0 HA3 GLY A 30 -12.315 3.093 5.611 1.00 25.00 H new ATOM 382 N GLY A 31 -13.594 2.728 8.261 1.00 25.00 N ATOM 383 CA GLY A 31 -14.762 2.283 9.005 1.00 25.00 C ATOM 384 C GLY A 31 -15.515 1.218 8.226 1.00 25.00 C ATOM 385 O GLY A 31 -14.955 0.585 7.310 1.00 25.00 O ATOM 0 H GLY A 31 -12.700 2.425 8.648 1.00 25.00 H new ATOM 0 HA2 GLY A 31 -14.455 1.885 9.972 1.00 25.00 H new ATOM 0 HA3 GLY A 31 -15.419 3.130 9.203 1.00 25.00 H new ATOM 389 N ALA A 32 -16.780 1.011 8.559 1.00 25.00 N ATOM 390 CA ALA A 32 -17.599 0.040 7.844 1.00 25.00 C ATOM 391 C ALA A 32 -17.959 0.593 6.456 1.00 25.00 C ATOM 392 O ALA A 32 -17.647 1.750 6.124 1.00 25.00 O ATOM 393 CB ALA A 32 -18.863 -0.290 8.650 1.00 25.00 C ATOM 0 H ALA A 32 -17.261 1.498 9.315 1.00 25.00 H new ATOM 0 HA ALA A 32 -17.034 -0.884 7.716 1.00 25.00 H new ATOM 0 HB1 ALA A 32 -19.464 -1.016 8.103 1.00 25.00 H new ATOM 0 HB2 ALA A 32 -18.580 -0.708 9.616 1.00 25.00 H new ATOM 0 HB3 ALA A 32 -19.444 0.619 8.804 1.00 25.00 H new ATOM 399 N GLY A 33 -18.577 -0.251 5.646 1.00 25.00 N ATOM 400 CA GLY A 33 -18.928 0.123 4.287 1.00 25.00 C ATOM 401 C GLY A 33 -17.748 -0.061 3.360 1.00 25.00 C ATOM 402 O GLY A 33 -16.606 -0.239 3.811 1.00 25.00 O ATOM 0 H GLY A 33 -18.846 -1.200 5.907 1.00 25.00 H new ATOM 0 HA2 GLY A 33 -19.765 -0.484 3.942 1.00 25.00 H new ATOM 0 HA3 GLY A 33 -19.256 1.162 4.264 1.00 25.00 H new ATOM 406 N ASP A 34 -18.018 -0.043 2.067 1.00 0.00 N ATOM 407 CA ASP A 34 -16.979 -0.225 1.060 1.00 25.00 C ATOM 408 C ASP A 34 -16.350 1.141 0.823 1.00 25.00 C ATOM 409 O ASP A 34 -17.068 2.115 0.638 1.00 25.00 O ATOM 410 CB ASP A 34 -17.590 -0.776 -0.232 1.00 25.00 C ATOM 411 CG ASP A 34 -18.192 -2.168 -0.049 1.00 25.00 C ATOM 412 OD1 ASP A 34 -17.873 -2.852 0.957 1.00 25.00 O ATOM 413 OD2 ASP A 34 -19.036 -2.554 -0.881 1.00 25.00 O ATOM 0 H ASP A 34 -18.953 0.097 1.684 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.226 -0.939 1.393 1.00 25.00 H new ATOM 0 HB2 ASP A 34 -18.363 -0.093 -0.584 1.00 25.00 H new ATOM 0 HB3 ASP A 34 -16.823 -0.815 -1.005 1.00 25.00 H new ATOM 418 N ASP A 35 -15.033 1.245 0.934 1.00 25.00 N ATOM 419 CA ASP A 35 -14.379 2.560 0.915 1.00 25.00 C ATOM 420 C ASP A 35 -13.202 2.640 -0.043 1.00 25.00 C ATOM 421 O ASP A 35 -12.511 1.654 -0.275 1.00 25.00 O ATOM 422 CB ASP A 35 -13.861 2.904 2.314 1.00 25.00 C ATOM 423 CG ASP A 35 -14.959 2.935 3.350 1.00 25.00 C ATOM 424 OD1 ASP A 35 -15.901 3.741 3.234 1.00 50.00 O ATOM 425 OD2 ASP A 35 -14.855 2.186 4.355 1.00 50.00 O ATOM 0 H ASP A 35 -14.399 0.453 1.037 1.00 25.00 H new ATOM 0 HA ASP A 35 -15.140 3.264 0.577 1.00 25.00 H new ATOM 0 HB2 ASP A 35 -13.109 2.172 2.609 1.00 25.00 H new ATOM 0 HB3 ASP A 35 -13.366 3.875 2.285 1.00 25.00 H new ATOM 430 N LEU A 36 -12.933 3.839 -0.532 1.00 25.00 N ATOM 431 CA LEU A 36 -11.743 4.105 -1.342 1.00 25.00 C ATOM 432 C LEU A 36 -10.806 4.930 -0.470 1.00 25.00 C ATOM 433 O LEU A 36 -11.240 5.897 0.158 1.00 25.00 O ATOM 434 CB LEU A 36 -12.100 4.890 -2.609 1.00 25.00 C ATOM 435 CG LEU A 36 -12.408 4.066 -3.873 1.00 25.00 C ATOM 436 CD1 LEU A 36 -13.646 3.175 -3.716 1.00 25.00 C ATOM 437 CD2 LEU A 36 -12.612 5.024 -5.047 1.00 25.00 C ATOM 0 H LEU A 36 -13.526 4.655 -0.383 1.00 25.00 H new ATOM 0 HA LEU A 36 -11.282 3.171 -1.663 1.00 25.00 H new ATOM 0 HB2 LEU A 36 -12.967 5.513 -2.390 1.00 25.00 H new ATOM 0 HB3 LEU A 36 -11.273 5.563 -2.836 1.00 25.00 H new ATOM 0 HG LEU A 36 -11.562 3.403 -4.050 1.00 25.00 H new ATOM 0 HD11 LEU A 36 -13.813 2.619 -4.638 1.00 25.00 H new ATOM 0 HD12 LEU A 36 -13.490 2.476 -2.894 1.00 25.00 H new ATOM 0 HD13 LEU A 36 -14.517 3.796 -3.504 1.00 25.00 H new ATOM 0 HD21 LEU A 36 -12.831 4.453 -5.949 1.00 25.00 H new ATOM 0 HD22 LEU A 36 -13.445 5.693 -4.830 1.00 25.00 H new ATOM 0 HD23 LEU A 36 -11.706 5.610 -5.200 1.00 25.00 H new ATOM 449 N LEU A 37 -9.545 4.529 -0.393 1.00 25.00 N ATOM 450 CA LEU A 37 -8.570 5.205 0.467 1.00 25.00 C ATOM 451 C LEU A 37 -7.328 5.585 -0.340 1.00 25.00 C ATOM 452 O LEU A 37 -6.589 4.716 -0.797 1.00 25.00 O ATOM 453 CB LEU A 37 -8.160 4.305 1.648 1.00 25.00 C ATOM 454 CG LEU A 37 -9.235 3.950 2.698 1.00 25.00 C ATOM 455 CD1 LEU A 37 -10.015 2.681 2.330 1.00 25.00 C ATOM 456 CD2 LEU A 37 -8.566 3.740 4.060 1.00 25.00 C ATOM 0 H LEU A 37 -9.168 3.738 -0.915 1.00 25.00 H new ATOM 0 HA LEU A 37 -9.038 6.107 0.861 1.00 25.00 H new ATOM 0 HB2 LEU A 37 -7.773 3.372 1.238 1.00 25.00 H new ATOM 0 HB3 LEU A 37 -7.334 4.791 2.167 1.00 25.00 H new ATOM 0 HG LEU A 37 -9.941 4.780 2.733 1.00 25.00 H new ATOM 0 HD11 LEU A 37 -10.758 2.475 3.100 1.00 25.00 H new ATOM 0 HD12 LEU A 37 -10.515 2.826 1.372 1.00 25.00 H new ATOM 0 HD13 LEU A 37 -9.326 1.839 2.256 1.00 25.00 H new ATOM 0 HD21 LEU A 37 -9.323 3.489 4.803 1.00 25.00 H new ATOM 0 HD22 LEU A 37 -7.844 2.926 3.989 1.00 25.00 H new ATOM 0 HD23 LEU A 37 -8.054 4.655 4.359 1.00 25.00 H new ATOM 468 N ASP A 38 -7.109 6.881 -0.507 1.00 25.00 N ATOM 469 CA ASP A 38 -5.975 7.401 -1.284 1.00 25.00 C ATOM 470 C ASP A 38 -4.917 7.984 -0.339 1.00 25.00 C ATOM 471 O ASP A 38 -5.135 9.026 0.289 1.00 25.00 O ATOM 472 CB ASP A 38 -6.452 8.491 -2.253 1.00 25.00 C ATOM 473 CG ASP A 38 -7.457 7.975 -3.273 1.00 25.00 C ATOM 474 OD1 ASP A 38 -8.677 8.038 -2.991 1.00 25.00 O ATOM 475 OD2 ASP A 38 -7.040 7.578 -4.380 1.00 25.00 O ATOM 0 H ASP A 38 -7.707 7.607 -0.112 1.00 25.00 H new ATOM 0 HA ASP A 38 -5.538 6.582 -1.855 1.00 25.00 H new ATOM 0 HB2 ASP A 38 -6.903 9.304 -1.684 1.00 25.00 H new ATOM 0 HB3 ASP A 38 -5.591 8.907 -2.776 1.00 25.00 H new ATOM 480 N GLY A 39 -3.782 7.307 -0.202 1.00 25.00 N ATOM 481 CA GLY A 39 -2.771 7.733 0.765 1.00 25.00 C ATOM 482 C GLY A 39 -2.085 9.053 0.434 1.00 25.00 C ATOM 483 O GLY A 39 -1.884 9.919 1.311 1.00 25.00 O ATOM 0 H GLY A 39 -3.539 6.474 -0.738 1.00 25.00 H new ATOM 0 HA2 GLY A 39 -3.240 7.819 1.745 1.00 25.00 H new ATOM 0 HA3 GLY A 39 -2.012 6.955 0.842 1.00 25.00 H new ATOM 487 N GLY A 40 -1.702 9.214 -0.822 1.00 25.00 N ATOM 488 CA GLY A 40 -1.003 10.412 -1.262 1.00 25.00 C ATOM 489 C GLY A 40 0.460 10.400 -0.862 1.00 25.00 C ATOM 490 O GLY A 40 0.967 9.408 -0.307 1.00 25.00 O ATOM 0 H GLY A 40 -1.864 8.527 -1.558 1.00 25.00 H new ATOM 0 HA2 GLY A 40 -1.081 10.499 -2.346 1.00 25.00 H new ATOM 0 HA3 GLY A 40 -1.487 11.291 -0.836 1.00 25.00 H new ATOM 494 N ALA A 41 1.147 11.510 -1.103 1.00 25.00 N ATOM 495 CA ALA A 41 2.552 11.654 -0.721 1.00 25.00 C ATOM 496 C ALA A 41 2.692 11.570 0.810 1.00 25.00 C ATOM 497 O ALA A 41 1.705 11.726 1.543 1.00 25.00 O ATOM 498 CB ALA A 41 3.099 12.991 -1.246 1.00 25.00 C ATOM 0 H ALA A 41 0.753 12.330 -1.564 1.00 25.00 H new ATOM 0 HA ALA A 41 3.132 10.844 -1.163 1.00 25.00 H new ATOM 0 HB1 ALA A 41 4.146 13.094 -0.959 1.00 25.00 H new ATOM 0 HB2 ALA A 41 3.016 13.016 -2.333 1.00 25.00 H new ATOM 0 HB3 ALA A 41 2.523 13.812 -0.819 1.00 25.00 H new ATOM 504 N GLY A 42 3.903 11.307 1.279 1.00 25.00 N ATOM 505 CA GLY A 42 4.150 11.117 2.706 1.00 25.00 C ATOM 506 C GLY A 42 3.911 9.664 3.073 1.00 25.00 C ATOM 507 O GLY A 42 3.479 8.891 2.212 1.00 25.00 O ATOM 0 H GLY A 42 4.733 11.220 0.693 1.00 25.00 H new ATOM 0 HA2 GLY A 42 5.174 11.401 2.949 1.00 25.00 H new ATOM 0 HA3 GLY A 42 3.493 11.763 3.289 1.00 25.00 H new ATOM 511 N ARG A 43 4.184 9.274 4.313 1.00 25.00 N ATOM 512 CA ARG A 43 3.960 7.887 4.754 1.00 25.00 C ATOM 513 C ARG A 43 2.652 7.847 5.520 1.00 25.00 C ATOM 514 O ARG A 43 2.358 8.733 6.316 1.00 25.00 O ATOM 515 CB ARG A 43 5.139 7.354 5.586 1.00 25.00 C ATOM 516 CG ARG A 43 5.275 7.916 7.005 1.00 25.00 C ATOM 517 CD ARG A 43 6.723 8.232 7.340 1.00 25.00 C ATOM 518 NE ARG A 43 6.975 9.673 7.206 1.00 25.00 N ATOM 519 CZ ARG A 43 8.161 10.262 7.228 1.00 25.00 C ATOM 520 NH1 ARG A 43 9.282 9.591 7.347 1.00 25.00 N ATOM 521 NH2 ARG A 43 8.211 11.559 7.139 1.00 25.00 N ATOM 0 H ARG A 43 4.560 9.890 5.034 1.00 25.00 H new ATOM 0 HA ARG A 43 3.895 7.227 3.889 1.00 25.00 H new ATOM 0 HB2 ARG A 43 5.048 6.270 5.654 1.00 25.00 H new ATOM 0 HB3 ARG A 43 6.062 7.563 5.045 1.00 25.00 H new ATOM 0 HG2 ARG A 43 4.673 8.820 7.099 1.00 25.00 H new ATOM 0 HG3 ARG A 43 4.883 7.195 7.723 1.00 25.00 H new ATOM 0 HD2 ARG A 43 6.947 7.910 8.357 1.00 25.00 H new ATOM 0 HD3 ARG A 43 7.386 7.677 6.677 1.00 25.00 H new ATOM 0 HE ARG A 43 6.161 10.276 7.085 1.00 25.00 H new ATOM 0 HH11 ARG A 43 9.262 8.574 7.427 1.00 25.00 H new ATOM 0 HH12 ARG A 43 10.174 10.086 7.359 1.00 25.00 H new ATOM 0 HH21 ARG A 43 7.349 12.098 7.055 1.00 25.00 H new ATOM 0 HH22 ARG A 43 9.112 12.037 7.154 1.00 25.00 H new ATOM 535 N ASP A 44 1.819 6.884 5.191 1.00 25.00 N ATOM 536 CA ASP A 44 0.447 6.875 5.662 1.00 25.00 C ATOM 537 C ASP A 44 0.052 5.518 6.211 1.00 25.00 C ATOM 538 O ASP A 44 0.745 4.523 5.996 1.00 25.00 O ATOM 539 CB ASP A 44 -0.476 7.257 4.501 1.00 25.00 C ATOM 540 CG ASP A 44 -0.071 8.565 3.847 1.00 25.00 C ATOM 541 OD1 ASP A 44 -0.210 9.620 4.491 1.00 50.00 O ATOM 542 OD2 ASP A 44 0.387 8.571 2.677 1.00 50.00 O ATOM 0 H ASP A 44 2.067 6.093 4.597 1.00 25.00 H new ATOM 0 HA ASP A 44 0.354 7.596 6.474 1.00 25.00 H new ATOM 0 HB2 ASP A 44 -0.465 6.462 3.755 1.00 25.00 H new ATOM 0 HB3 ASP A 44 -1.500 7.338 4.866 1.00 25.00 H new ATOM 547 N ARG A 45 -1.065 5.487 6.919 1.00 25.00 N ATOM 548 CA ARG A 45 -1.613 4.247 7.480 1.00 25.00 C ATOM 549 C ARG A 45 -3.041 4.180 6.980 1.00 25.00 C ATOM 550 O ARG A 45 -3.768 5.152 7.134 1.00 25.00 O ATOM 551 CB ARG A 45 -1.581 4.257 9.018 1.00 25.00 C ATOM 552 CG ARG A 45 -0.195 4.516 9.617 1.00 25.00 C ATOM 553 CD ARG A 45 -0.028 6.001 9.946 1.00 25.00 C ATOM 554 NE ARG A 45 1.371 6.378 10.207 1.00 25.00 N ATOM 555 CZ ARG A 45 1.913 7.555 9.903 1.00 25.00 C ATOM 556 NH1 ARG A 45 1.245 8.505 9.302 1.00 25.00 N ATOM 557 NH2 ARG A 45 3.161 7.779 10.209 1.00 25.00 N ATOM 0 H ARG A 45 -1.623 6.316 7.125 1.00 25.00 H new ATOM 0 HA ARG A 45 -1.025 3.382 7.172 1.00 25.00 H new ATOM 0 HB2 ARG A 45 -2.269 5.021 9.379 1.00 25.00 H new ATOM 0 HB3 ARG A 45 -1.949 3.298 9.384 1.00 25.00 H new ATOM 0 HG2 ARG A 45 -0.064 3.920 10.520 1.00 25.00 H new ATOM 0 HG3 ARG A 45 0.577 4.203 8.914 1.00 25.00 H new ATOM 0 HD2 ARG A 45 -0.410 6.596 9.117 1.00 25.00 H new ATOM 0 HD3 ARG A 45 -0.633 6.244 10.819 1.00 25.00 H new ATOM 0 HE ARG A 45 1.970 5.685 10.655 1.00 25.00 H new ATOM 0 HH11 ARG A 45 0.268 8.359 9.047 1.00 25.00 H new ATOM 0 HH12 ARG A 45 1.701 9.392 9.088 1.00 25.00 H new ATOM 0 HH21 ARG A 45 3.709 7.056 10.676 1.00 25.00 H new ATOM 0 HH22 ARG A 45 3.589 8.677 9.982 1.00 25.00 H new ATOM 571 N LEU A 46 -3.406 3.100 6.310 1.00 25.00 N ATOM 572 CA LEU A 46 -4.719 2.993 5.662 1.00 25.00 C ATOM 573 C LEU A 46 -5.499 1.812 6.239 1.00 25.00 C ATOM 574 O LEU A 46 -5.332 0.681 5.800 1.00 25.00 O ATOM 575 CB LEU A 46 -4.568 2.815 4.136 1.00 25.00 C ATOM 576 CG LEU A 46 -4.079 4.004 3.276 1.00 25.00 C ATOM 577 CD1 LEU A 46 -2.595 4.325 3.465 1.00 25.00 C ATOM 578 CD2 LEU A 46 -4.316 3.687 1.800 1.00 25.00 C ATOM 0 H LEU A 46 -2.814 2.277 6.196 1.00 25.00 H new ATOM 0 HA LEU A 46 -5.265 3.917 5.854 1.00 25.00 H new ATOM 0 HB2 LEU A 46 -3.879 1.987 3.970 1.00 25.00 H new ATOM 0 HB3 LEU A 46 -5.538 2.506 3.745 1.00 25.00 H new ATOM 0 HG LEU A 46 -4.646 4.876 3.602 1.00 25.00 H new ATOM 0 HD11 LEU A 46 -2.322 5.169 2.832 1.00 25.00 H new ATOM 0 HD12 LEU A 46 -2.408 4.579 4.508 1.00 25.00 H new ATOM 0 HD13 LEU A 46 -1.997 3.456 3.190 1.00 25.00 H new ATOM 0 HD21 LEU A 46 -3.973 4.522 1.189 1.00 25.00 H new ATOM 0 HD22 LEU A 46 -3.764 2.787 1.528 1.00 25.00 H new ATOM 0 HD23 LEU A 46 -5.380 3.525 1.629 1.00 25.00 H new ATOM 590 N THR A 47 -6.338 2.074 7.226 1.00 25.00 N ATOM 591 CA THR A 47 -7.139 1.031 7.864 1.00 25.00 C ATOM 592 C THR A 47 -8.448 0.862 7.103 1.00 25.00 C ATOM 593 O THR A 47 -9.296 1.753 7.110 1.00 25.00 O ATOM 594 CB THR A 47 -7.472 1.410 9.321 1.00 25.00 C ATOM 595 OG1 THR A 47 -6.300 1.925 9.959 1.00 25.00 O ATOM 596 CG2 THR A 47 -7.979 0.219 10.104 1.00 25.00 C ATOM 0 H THR A 47 -6.486 3.007 7.609 1.00 25.00 H new ATOM 0 HA THR A 47 -6.564 0.105 7.854 1.00 25.00 H new ATOM 0 HB THR A 47 -8.258 2.165 9.300 1.00 25.00 H new ATOM 0 HG1 THR A 47 -6.478 2.830 10.289 1.00 25.00 H new ATOM 0 HG21 THR A 47 -8.203 0.524 11.126 1.00 25.00 H new ATOM 0 HG22 THR A 47 -8.883 -0.167 9.634 1.00 25.00 H new ATOM 0 HG23 THR A 47 -7.216 -0.559 10.117 1.00 25.00 H new ATOM 604 N GLY A 48 -8.621 -0.256 6.418 1.00 25.00 N ATOM 605 CA GLY A 48 -9.827 -0.431 5.620 1.00 25.00 C ATOM 606 C GLY A 48 -11.043 -0.788 6.444 1.00 25.00 C ATOM 607 O GLY A 48 -12.160 -0.288 6.198 1.00 25.00 O ATOM 0 H GLY A 48 -7.964 -1.036 6.395 1.00 25.00 H new ATOM 0 HA2 GLY A 48 -10.027 0.489 5.070 1.00 25.00 H new ATOM 0 HA3 GLY A 48 -9.655 -1.214 4.881 1.00 25.00 H new ATOM 611 N GLY A 49 -10.847 -1.663 7.421 1.00 25.00 N ATOM 612 CA GLY A 49 -11.950 -2.116 8.248 1.00 25.00 C ATOM 613 C GLY A 49 -12.887 -3.022 7.471 1.00 25.00 C ATOM 614 O GLY A 49 -12.530 -3.550 6.407 1.00 25.00 O ATOM 0 H GLY A 49 -9.941 -2.069 7.657 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -11.561 -2.649 9.116 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -12.502 -1.255 8.624 1.00 25.00 H new ATOM 618 N LEU A 50 -14.101 -3.184 7.981 1.00 25.00 N ATOM 619 CA LEU A 50 -15.111 -4.020 7.330 1.00 25.00 C ATOM 620 C LEU A 50 -15.482 -3.471 5.960 1.00 25.00 C ATOM 621 O LEU A 50 -15.351 -2.269 5.696 1.00 25.00 O ATOM 622 CB LEU A 50 -16.377 -4.097 8.191 1.00 25.00 C ATOM 623 CG LEU A 50 -16.220 -4.820 9.535 1.00 25.00 C ATOM 624 CD1 LEU A 50 -17.471 -4.597 10.381 1.00 25.00 C ATOM 625 CD2 LEU A 50 -15.982 -6.321 9.346 1.00 25.00 C ATOM 0 H LEU A 50 -14.415 -2.747 8.847 1.00 25.00 H new ATOM 0 HA LEU A 50 -14.682 -5.015 7.210 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -16.727 -3.083 8.383 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -17.156 -4.599 7.617 1.00 25.00 H new ATOM 0 HG LEU A 50 -15.348 -4.407 10.042 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -17.361 -5.110 11.336 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -17.606 -3.530 10.556 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -18.341 -4.992 9.856 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -15.876 -6.798 10.320 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -16.828 -6.760 8.817 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -15.072 -6.475 8.766 1.00 25.00 H new ATOM 637 N GLY A 51 -15.955 -4.363 5.105 1.00 25.00 N ATOM 638 CA GLY A 51 -16.328 -4.008 3.744 1.00 25.00 C ATOM 639 C GLY A 51 -15.165 -4.208 2.791 1.00 25.00 C ATOM 640 O GLY A 51 -14.020 -4.412 3.237 1.00 25.00 O ATOM 0 H GLY A 51 -16.091 -5.348 5.332 1.00 25.00 H new ATOM 0 HA2 GLY A 51 -17.173 -4.617 3.424 1.00 25.00 H new ATOM 0 HA3 GLY A 51 -16.654 -2.968 3.712 1.00 25.00 H new ATOM 644 N ALA A 52 -15.450 -4.156 1.501 1.00 25.00 N ATOM 645 CA ALA A 52 -14.433 -4.290 0.467 1.00 25.00 C ATOM 646 C ALA A 52 -13.831 -2.903 0.271 1.00 25.00 C ATOM 647 O ALA A 52 -14.544 -1.936 0.051 1.00 25.00 O ATOM 648 CB ALA A 52 -15.067 -4.798 -0.833 1.00 25.00 C ATOM 0 H ALA A 52 -16.394 -4.020 1.139 1.00 25.00 H new ATOM 0 HA ALA A 52 -13.665 -5.008 0.753 1.00 25.00 H new ATOM 0 HB1 ALA A 52 -14.298 -4.895 -1.599 1.00 25.00 H new ATOM 0 HB2 ALA A 52 -15.528 -5.770 -0.657 1.00 25.00 H new ATOM 0 HB3 ALA A 52 -15.826 -4.091 -1.168 1.00 25.00 H new ATOM 654 N ASP A 53 -12.526 -2.791 0.424 1.00 25.00 N ATOM 655 CA ASP A 53 -11.871 -1.490 0.384 1.00 25.00 C ATOM 656 C ASP A 53 -10.873 -1.422 -0.751 1.00 25.00 C ATOM 657 O ASP A 53 -10.142 -2.372 -0.998 1.00 25.00 O ATOM 658 CB ASP A 53 -11.167 -1.235 1.712 1.00 25.00 C ATOM 659 CG ASP A 53 -12.125 -1.246 2.880 1.00 25.00 C ATOM 660 OD1 ASP A 53 -13.047 -0.406 2.935 1.00 50.00 O ATOM 661 OD2 ASP A 53 -11.968 -2.109 3.775 1.00 50.00 O ATOM 0 H ASP A 53 -11.897 -3.579 0.577 1.00 25.00 H new ATOM 0 HA ASP A 53 -12.628 -0.723 0.217 1.00 25.00 H new ATOM 0 HB2 ASP A 53 -10.401 -1.995 1.866 1.00 25.00 H new ATOM 0 HB3 ASP A 53 -10.658 -0.272 1.672 1.00 25.00 H new ATOM 666 N THR A 54 -10.835 -0.290 -1.429 1.00 25.00 N ATOM 667 CA THR A 54 -9.894 -0.078 -2.520 1.00 25.00 C ATOM 668 C THR A 54 -8.834 0.903 -2.068 1.00 25.00 C ATOM 669 O THR A 54 -9.069 2.106 -1.960 1.00 25.00 O ATOM 670 CB THR A 54 -10.564 0.401 -3.757 1.00 25.00 C ATOM 671 OG1 THR A 54 -11.641 -0.480 -4.086 1.00 25.00 O ATOM 672 CG2 THR A 54 -9.600 0.462 -4.943 1.00 25.00 C ATOM 0 H THR A 54 -11.448 0.504 -1.244 1.00 25.00 H new ATOM 0 HA THR A 54 -9.434 -1.034 -2.770 1.00 25.00 H new ATOM 0 HB THR A 54 -10.932 1.409 -3.563 1.00 25.00 H new ATOM 0 HG1 THR A 54 -12.085 -0.164 -4.901 1.00 25.00 H new ATOM 0 HG21 THR A 54 -10.131 0.817 -5.826 1.00 25.00 H new ATOM 0 HG22 THR A 54 -8.782 1.145 -4.713 1.00 25.00 H new ATOM 0 HG23 THR A 54 -9.198 -0.533 -5.137 1.00 25.00 H new ATOM 680 N PHE A 55 -7.664 0.374 -1.768 1.00 25.00 N ATOM 681 CA PHE A 55 -6.542 1.194 -1.358 1.00 25.00 C ATOM 682 C PHE A 55 -5.873 1.608 -2.649 1.00 25.00 C ATOM 683 O PHE A 55 -5.594 0.763 -3.507 1.00 25.00 O ATOM 684 CB PHE A 55 -5.610 0.389 -0.467 1.00 25.00 C ATOM 685 CG PHE A 55 -6.308 -0.214 0.718 1.00 25.00 C ATOM 686 CD1 PHE A 55 -6.606 0.569 1.847 1.00 25.00 C ATOM 687 CD2 PHE A 55 -6.697 -1.566 0.705 1.00 25.00 C ATOM 688 CE1 PHE A 55 -7.275 0.006 2.959 1.00 25.00 C ATOM 689 CE2 PHE A 55 -7.363 -2.132 1.809 1.00 25.00 C ATOM 690 CZ PHE A 55 -7.647 -1.353 2.933 1.00 25.00 C ATOM 0 H PHE A 55 -7.466 -0.626 -1.801 1.00 25.00 H new ATOM 0 HA PHE A 55 -6.840 2.065 -0.774 1.00 25.00 H new ATOM 0 HB2 PHE A 55 -5.151 -0.406 -1.055 1.00 25.00 H new ATOM 0 HB3 PHE A 55 -4.803 1.034 -0.118 1.00 25.00 H new ATOM 0 HD1 PHE A 55 -6.321 1.611 1.865 1.00 25.00 H new ATOM 0 HD2 PHE A 55 -6.483 -2.176 -0.160 1.00 25.00 H new ATOM 0 HE1 PHE A 55 -7.499 0.614 3.823 1.00 25.00 H new ATOM 0 HE2 PHE A 55 -7.655 -3.172 1.787 1.00 25.00 H new ATOM 0 HZ PHE A 55 -8.151 -1.792 3.781 1.00 25.00 H new ATOM 700 N ARG A 56 -5.721 2.904 -2.852 1.00 25.00 N ATOM 701 CA ARG A 56 -5.319 3.414 -4.151 1.00 25.00 C ATOM 702 C ARG A 56 -4.192 4.421 -4.063 1.00 25.00 C ATOM 703 O ARG A 56 -4.052 5.148 -3.084 1.00 25.00 O ATOM 704 CB ARG A 56 -6.544 4.060 -4.808 1.00 25.00 C ATOM 705 CG ARG A 56 -6.463 4.147 -6.317 1.00 25.00 C ATOM 706 CD ARG A 56 -7.588 4.977 -6.877 1.00 25.00 C ATOM 707 NE ARG A 56 -7.531 4.984 -8.347 1.00 25.00 N ATOM 708 CZ ARG A 56 -6.785 5.801 -9.082 1.00 25.00 C ATOM 709 NH1 ARG A 56 -5.995 6.705 -8.557 1.00 25.00 N ATOM 710 NH2 ARG A 56 -6.833 5.700 -10.382 1.00 25.00 N ATOM 0 H ARG A 56 -5.869 3.619 -2.140 1.00 25.00 H new ATOM 0 HA ARG A 56 -4.943 2.581 -4.745 1.00 25.00 H new ATOM 0 HB2 ARG A 56 -7.432 3.490 -4.535 1.00 25.00 H new ATOM 0 HB3 ARG A 56 -6.673 5.064 -4.403 1.00 25.00 H new ATOM 0 HG2 ARG A 56 -5.507 4.582 -6.608 1.00 25.00 H new ATOM 0 HG3 ARG A 56 -6.500 3.145 -6.744 1.00 25.00 H new ATOM 0 HD2 ARG A 56 -8.546 4.576 -6.545 1.00 25.00 H new ATOM 0 HD3 ARG A 56 -7.521 5.997 -6.498 1.00 25.00 H new ATOM 0 HE ARG A 56 -8.111 4.307 -8.842 1.00 25.00 H new ATOM 0 HH11 ARG A 56 -5.935 6.803 -7.544 1.00 25.00 H new ATOM 0 HH12 ARG A 56 -5.440 7.311 -9.162 1.00 25.00 H new ATOM 0 HH21 ARG A 56 -7.436 5.002 -10.817 1.00 25.00 H new ATOM 0 HH22 ARG A 56 -6.267 6.319 -10.963 1.00 25.00 H new ATOM 724 N PHE A 57 -3.403 4.465 -5.121 1.00 25.00 N ATOM 725 CA PHE A 57 -2.370 5.469 -5.272 1.00 25.00 C ATOM 726 C PHE A 57 -3.019 6.788 -5.687 1.00 25.00 C ATOM 727 O PHE A 57 -4.084 6.796 -6.306 1.00 25.00 O ATOM 728 CB PHE A 57 -1.391 5.039 -6.372 1.00 25.00 C ATOM 729 CG PHE A 57 -2.032 4.937 -7.743 1.00 25.00 C ATOM 730 CD1 PHE A 57 -2.112 6.066 -8.584 1.00 25.00 C ATOM 731 CD2 PHE A 57 -2.582 3.722 -8.189 1.00 25.00 C ATOM 732 CE1 PHE A 57 -2.720 5.981 -9.860 1.00 25.00 C ATOM 733 CE2 PHE A 57 -3.204 3.628 -9.458 1.00 25.00 C ATOM 734 CZ PHE A 57 -3.267 4.759 -10.294 1.00 25.00 C ATOM 0 H PHE A 57 -3.461 3.806 -5.898 1.00 25.00 H new ATOM 0 HA PHE A 57 -1.837 5.586 -4.329 1.00 25.00 H new ATOM 0 HB2 PHE A 57 -0.569 5.753 -6.416 1.00 25.00 H new ATOM 0 HB3 PHE A 57 -0.960 4.073 -6.108 1.00 25.00 H new ATOM 0 HD1 PHE A 57 -1.704 7.009 -8.250 1.00 25.00 H new ATOM 0 HD2 PHE A 57 -2.529 2.849 -7.555 1.00 25.00 H new ATOM 0 HE1 PHE A 57 -2.764 6.851 -10.498 1.00 25.00 H new ATOM 0 HE2 PHE A 57 -3.629 2.690 -9.784 1.00 25.00 H new ATOM 0 HZ PHE A 57 -3.734 4.689 -11.265 1.00 25.00 H new ATOM 744 N ALA A 58 -2.316 7.884 -5.454 1.00 25.00 N ATOM 745 CA ALA A 58 -2.695 9.182 -6.000 1.00 25.00 C ATOM 746 C ALA A 58 -1.496 9.716 -6.796 1.00 25.00 C ATOM 747 O ALA A 58 -1.640 10.224 -7.902 1.00 25.00 O ATOM 748 CB ALA A 58 -3.082 10.138 -4.867 1.00 25.00 C ATOM 0 H ALA A 58 -1.470 7.902 -4.884 1.00 25.00 H new ATOM 0 HA ALA A 58 -3.562 9.092 -6.655 1.00 25.00 H new ATOM 0 HB1 ALA A 58 -3.363 11.104 -5.286 1.00 25.00 H new ATOM 0 HB2 ALA A 58 -3.924 9.724 -4.313 1.00 25.00 H new ATOM 0 HB3 ALA A 58 -2.234 10.267 -4.194 1.00 25.00 H new ATOM 754 N LEU A 59 -0.308 9.533 -6.234 1.00 25.00 N ATOM 755 CA LEU A 59 0.955 9.905 -6.872 1.00 25.00 C ATOM 756 C LEU A 59 1.833 8.659 -6.865 1.00 25.00 C ATOM 757 O LEU A 59 1.559 7.704 -6.148 1.00 25.00 O ATOM 758 CB LEU A 59 1.678 11.017 -6.075 1.00 25.00 C ATOM 759 CG LEU A 59 1.115 12.452 -5.976 1.00 25.00 C ATOM 760 CD1 LEU A 59 0.700 12.992 -7.346 1.00 25.00 C ATOM 761 CD2 LEU A 59 -0.051 12.564 -4.994 1.00 25.00 C ATOM 0 H LEU A 59 -0.190 9.117 -5.310 1.00 25.00 H new ATOM 0 HA LEU A 59 0.765 10.277 -7.879 1.00 25.00 H new ATOM 0 HB2 LEU A 59 1.787 10.651 -5.054 1.00 25.00 H new ATOM 0 HB3 LEU A 59 2.681 11.101 -6.493 1.00 25.00 H new ATOM 0 HG LEU A 59 1.930 13.064 -5.590 1.00 25.00 H new ATOM 0 HD11 LEU A 59 0.309 14.003 -7.235 1.00 25.00 H new ATOM 0 HD12 LEU A 59 1.566 13.008 -8.008 1.00 25.00 H new ATOM 0 HD13 LEU A 59 -0.071 12.350 -7.772 1.00 25.00 H new ATOM 0 HD21 LEU A 59 -0.405 13.594 -4.966 1.00 25.00 H new ATOM 0 HD22 LEU A 59 -0.862 11.910 -5.315 1.00 25.00 H new ATOM 0 HD23 LEU A 59 0.281 12.268 -3.999 1.00 25.00 H new ATOM 773 N ARG A 60 2.956 8.706 -7.568 1.00 25.00 N ATOM 774 CA ARG A 60 3.959 7.631 -7.476 1.00 25.00 C ATOM 775 C ARG A 60 4.633 7.668 -6.103 1.00 25.00 C ATOM 776 O ARG A 60 5.290 6.734 -5.681 1.00 25.00 O ATOM 777 CB ARG A 60 5.011 7.782 -8.580 1.00 25.00 C ATOM 778 CG ARG A 60 5.915 9.000 -8.417 1.00 25.00 C ATOM 779 CD ARG A 60 6.863 9.125 -9.581 1.00 25.00 C ATOM 780 NE ARG A 60 7.848 10.195 -9.351 1.00 25.00 N ATOM 781 CZ ARG A 60 8.844 10.506 -10.172 1.00 25.00 C ATOM 782 NH1 ARG A 60 9.032 9.887 -11.310 1.00 25.00 N ATOM 783 NH2 ARG A 60 9.674 11.450 -9.837 1.00 25.00 N ATOM 0 H ARG A 60 3.203 9.464 -8.204 1.00 25.00 H new ATOM 0 HA ARG A 60 3.457 6.672 -7.605 1.00 25.00 H new ATOM 0 HB2 ARG A 60 5.629 6.885 -8.603 1.00 25.00 H new ATOM 0 HB3 ARG A 60 4.505 7.845 -9.543 1.00 25.00 H new ATOM 0 HG2 ARG A 60 5.307 9.901 -8.339 1.00 25.00 H new ATOM 0 HG3 ARG A 60 6.481 8.916 -7.489 1.00 25.00 H new ATOM 0 HD2 ARG A 60 7.380 8.178 -9.736 1.00 25.00 H new ATOM 0 HD3 ARG A 60 6.301 9.334 -10.491 1.00 25.00 H new ATOM 0 HE ARG A 60 7.758 10.740 -8.494 1.00 25.00 H new ATOM 0 HH11 ARG A 60 8.401 9.137 -11.593 1.00 25.00 H new ATOM 0 HH12 ARG A 60 9.809 10.155 -11.914 1.00 25.00 H new ATOM 0 HH21 ARG A 60 9.556 11.943 -8.952 1.00 25.00 H new ATOM 0 HH22 ARG A 60 10.443 11.698 -10.460 1.00 25.00 H new ATOM 797 N GLU A 61 4.444 8.776 -5.408 1.00 25.00 N ATOM 798 CA GLU A 61 5.017 8.988 -4.083 1.00 25.00 C ATOM 799 C GLU A 61 4.179 8.311 -3.005 1.00 25.00 C ATOM 800 O GLU A 61 4.454 8.447 -1.811 1.00 25.00 O ATOM 801 CB GLU A 61 5.070 10.483 -3.792 1.00 25.00 C ATOM 802 CG GLU A 61 5.848 11.275 -4.824 1.00 25.00 C ATOM 803 CD GLU A 61 5.869 12.748 -4.495 1.00 25.00 C ATOM 804 OE1 GLU A 61 4.777 13.341 -4.387 1.00 25.00 O ATOM 805 OE2 GLU A 61 6.969 13.308 -4.334 1.00 25.00 O ATOM 0 H GLU A 61 3.886 9.560 -5.746 1.00 25.00 H new ATOM 0 HA GLU A 61 6.018 8.556 -4.072 1.00 25.00 H new ATOM 0 HB2 GLU A 61 4.053 10.871 -3.740 1.00 25.00 H new ATOM 0 HB3 GLU A 61 5.521 10.638 -2.812 1.00 25.00 H new ATOM 0 HG2 GLU A 61 6.870 10.899 -4.877 1.00 25.00 H new ATOM 0 HG3 GLU A 61 5.403 11.128 -5.808 1.00 25.00 H new ATOM 812 N ASP A 62 3.134 7.604 -3.414 1.00 25.00 N ATOM 813 CA ASP A 62 2.268 6.942 -2.453 1.00 25.00 C ATOM 814 C ASP A 62 3.014 5.873 -1.683 1.00 25.00 C ATOM 815 O ASP A 62 2.746 5.688 -0.502 1.00 25.00 O ATOM 816 CB ASP A 62 1.042 6.337 -3.118 1.00 25.00 C ATOM 817 CG ASP A 62 -0.134 7.278 -3.090 1.00 25.00 C ATOM 818 OD1 ASP A 62 -0.051 8.365 -3.691 1.00 25.00 O ATOM 819 OD2 ASP A 62 -1.126 6.970 -2.415 1.00 25.00 O ATOM 0 H ASP A 62 2.869 7.476 -4.391 1.00 25.00 H new ATOM 0 HA ASP A 62 1.934 7.709 -1.755 1.00 25.00 H new ATOM 0 HB2 ASP A 62 1.278 6.082 -4.151 1.00 25.00 H new ATOM 0 HB3 ASP A 62 0.776 5.408 -2.613 1.00 25.00 H new ATOM 824 N SER A 63 3.975 5.215 -2.315 1.00 25.00 N ATOM 825 CA SER A 63 4.813 4.237 -1.620 1.00 25.00 C ATOM 826 C SER A 63 6.200 4.143 -2.243 1.00 25.00 C ATOM 827 O SER A 63 6.420 3.417 -3.201 1.00 25.00 O ATOM 828 CB SER A 63 4.146 2.865 -1.599 1.00 25.00 C ATOM 829 OG SER A 63 3.100 2.844 -0.636 1.00 25.00 O ATOM 0 H SER A 63 4.197 5.337 -3.303 1.00 25.00 H new ATOM 0 HA SER A 63 4.930 4.583 -0.593 1.00 25.00 H new ATOM 0 HB2 SER A 63 3.747 2.631 -2.586 1.00 25.00 H new ATOM 0 HB3 SER A 63 4.883 2.097 -1.363 1.00 25.00 H new ATOM 0 HG SER A 63 2.863 3.763 -0.390 1.00 25.00 H new ATOM 835 N HIS A 64 7.121 4.920 -1.695 1.00 25.00 N ATOM 836 CA HIS A 64 8.485 5.027 -2.213 1.00 25.00 C ATOM 837 C HIS A 64 9.427 5.183 -1.018 1.00 25.00 C ATOM 838 O HIS A 64 9.006 5.698 0.020 1.00 25.00 O ATOM 839 CB HIS A 64 8.557 6.257 -3.126 1.00 25.00 C ATOM 840 CG HIS A 64 9.899 6.474 -3.750 1.00 25.00 C ATOM 841 ND1 HIS A 64 10.878 7.270 -3.213 1.00 25.00 N ATOM 842 CD2 HIS A 64 10.430 5.989 -4.905 1.00 25.00 C ATOM 843 CE1 HIS A 64 11.928 7.240 -4.024 1.00 25.00 C ATOM 844 NE2 HIS A 64 11.707 6.481 -5.076 1.00 25.00 N ATOM 0 H HIS A 64 6.947 5.499 -0.874 1.00 25.00 H new ATOM 0 HA HIS A 64 8.771 4.145 -2.786 1.00 25.00 H new ATOM 0 HB2 HIS A 64 7.813 6.154 -3.916 1.00 25.00 H new ATOM 0 HB3 HIS A 64 8.289 7.142 -2.548 1.00 25.00 H new ATOM 0 HD2 HIS A 64 9.927 5.319 -5.586 1.00 25.00 H new ATOM 0 HE1 HIS A 64 12.850 7.773 -3.843 1.00 25.00 H new ATOM 0 HE2 HIS A 64 12.343 6.296 -5.851 1.00 25.00 H new ATOM 852 N ARG A 65 10.677 4.745 -1.129 1.00 25.00 N ATOM 853 CA ARG A 65 11.634 4.883 -0.019 1.00 25.00 C ATOM 854 C ARG A 65 12.916 5.573 -0.471 1.00 25.00 C ATOM 855 O ARG A 65 13.326 5.466 -1.617 1.00 25.00 O ATOM 856 CB ARG A 65 11.936 3.512 0.609 1.00 25.00 C ATOM 857 CG ARG A 65 10.701 2.903 1.274 1.00 25.00 C ATOM 858 CD ARG A 65 11.012 1.667 2.123 1.00 25.00 C ATOM 859 NE ARG A 65 9.776 1.155 2.749 1.00 25.00 N ATOM 860 CZ ARG A 65 9.491 -0.121 2.999 1.00 25.00 C ATOM 861 NH1 ARG A 65 10.298 -1.107 2.711 1.00 25.00 N ATOM 862 NH2 ARG A 65 8.343 -0.408 3.548 1.00 25.00 N ATOM 0 H ARG A 65 11.055 4.296 -1.963 1.00 25.00 H new ATOM 0 HA ARG A 65 11.175 5.514 0.742 1.00 25.00 H new ATOM 0 HB2 ARG A 65 12.305 2.834 -0.161 1.00 25.00 H new ATOM 0 HB3 ARG A 65 12.730 3.618 1.348 1.00 25.00 H new ATOM 0 HG2 ARG A 65 10.228 3.657 1.903 1.00 25.00 H new ATOM 0 HG3 ARG A 65 9.979 2.633 0.503 1.00 25.00 H new ATOM 0 HD2 ARG A 65 11.461 0.893 1.501 1.00 25.00 H new ATOM 0 HD3 ARG A 65 11.741 1.920 2.893 1.00 25.00 H new ATOM 0 HE ARG A 65 9.074 1.845 3.015 1.00 25.00 H new ATOM 0 HH11 ARG A 65 11.199 -0.917 2.272 1.00 25.00 H new ATOM 0 HH12 ARG A 65 10.027 -2.067 2.925 1.00 25.00 H new ATOM 0 HH21 ARG A 65 7.686 0.338 3.776 1.00 25.00 H new ATOM 0 HH22 ARG A 65 8.102 -1.379 3.749 1.00 25.00 H new ATOM 876 N SER A 66 13.508 6.329 0.442 1.00 25.00 N ATOM 877 CA SER A 66 14.694 7.132 0.163 1.00 25.00 C ATOM 878 C SER A 66 15.453 7.253 1.483 1.00 25.00 C ATOM 879 O SER A 66 14.834 7.177 2.546 1.00 25.00 O ATOM 880 CB SER A 66 14.247 8.521 -0.323 1.00 25.00 C ATOM 881 OG SER A 66 15.328 9.434 -0.427 1.00 25.00 O ATOM 0 H SER A 66 13.178 6.404 1.404 1.00 25.00 H new ATOM 0 HA SER A 66 15.324 6.683 -0.605 1.00 25.00 H new ATOM 0 HB2 SER A 66 13.763 8.424 -1.295 1.00 25.00 H new ATOM 0 HB3 SER A 66 13.503 8.921 0.365 1.00 25.00 H new ATOM 0 HG SER A 66 14.995 10.301 -0.741 1.00 25.00 H new ATOM 887 N PRO A 67 16.784 7.472 1.451 1.00 25.00 N ATOM 888 CA PRO A 67 17.439 7.686 2.752 1.00 25.00 C ATOM 889 C PRO A 67 17.034 9.013 3.403 1.00 25.00 C ATOM 890 O PRO A 67 17.232 9.211 4.591 1.00 25.00 O ATOM 891 CB PRO A 67 18.927 7.679 2.390 1.00 25.00 C ATOM 892 CG PRO A 67 18.963 8.194 1.000 1.00 25.00 C ATOM 893 CD PRO A 67 17.761 7.560 0.344 1.00 25.00 C ATOM 0 HA PRO A 67 17.162 6.930 3.486 1.00 25.00 H new ATOM 0 HB2 PRO A 67 19.504 8.311 3.065 1.00 25.00 H new ATOM 0 HB3 PRO A 67 19.348 6.676 2.455 1.00 25.00 H new ATOM 0 HG2 PRO A 67 18.903 9.282 0.976 1.00 25.00 H new ATOM 0 HG3 PRO A 67 19.887 7.914 0.495 1.00 25.00 H new ATOM 0 HD2 PRO A 67 17.384 8.167 -0.479 1.00 25.00 H new ATOM 0 HD3 PRO A 67 17.996 6.578 -0.065 1.00 25.00 H new ATOM 901 N LEU A 68 16.425 9.899 2.622 1.00 25.00 N ATOM 902 CA LEU A 68 15.933 11.181 3.132 1.00 25.00 C ATOM 903 C LEU A 68 14.601 11.000 3.863 1.00 25.00 C ATOM 904 O LEU A 68 14.080 11.931 4.468 1.00 25.00 O ATOM 905 CB LEU A 68 15.735 12.164 1.970 1.00 25.00 C ATOM 906 CG LEU A 68 16.977 12.482 1.119 1.00 25.00 C ATOM 907 CD1 LEU A 68 16.569 13.357 -0.065 1.00 25.00 C ATOM 908 CD2 LEU A 68 18.059 13.191 1.938 1.00 25.00 C ATOM 0 H LEU A 68 16.258 9.754 1.626 1.00 25.00 H new ATOM 0 HA LEU A 68 16.672 11.574 3.831 1.00 25.00 H new ATOM 0 HB2 LEU A 68 14.964 11.763 1.312 1.00 25.00 H new ATOM 0 HB3 LEU A 68 15.352 13.100 2.377 1.00 25.00 H new ATOM 0 HG LEU A 68 17.395 11.540 0.763 1.00 25.00 H new ATOM 0 HD11 LEU A 68 17.447 13.584 -0.670 1.00 25.00 H new ATOM 0 HD12 LEU A 68 15.836 12.827 -0.674 1.00 25.00 H new ATOM 0 HD13 LEU A 68 16.132 14.285 0.302 1.00 25.00 H new ATOM 0 HD21 LEU A 68 18.919 13.398 1.302 1.00 25.00 H new ATOM 0 HD22 LEU A 68 17.663 14.128 2.330 1.00 25.00 H new ATOM 0 HD23 LEU A 68 18.366 12.552 2.766 1.00 25.00 H new ATOM 920 N GLY A 69 14.050 9.798 3.789 1.00 25.00 N ATOM 921 CA GLY A 69 12.788 9.499 4.435 1.00 25.00 C ATOM 922 C GLY A 69 11.990 8.487 3.643 1.00 25.00 C ATOM 923 O GLY A 69 12.128 8.370 2.426 1.00 25.00 O ATOM 0 H GLY A 69 14.462 9.013 3.285 1.00 25.00 H new ATOM 0 HA2 GLY A 69 12.973 9.115 5.438 1.00 25.00 H new ATOM 0 HA3 GLY A 69 12.208 10.415 4.547 1.00 25.00 H new ATOM 927 N THR A 70 11.154 7.737 4.339 1.00 25.00 N ATOM 928 CA THR A 70 10.311 6.737 3.703 1.00 25.00 C ATOM 929 C THR A 70 8.914 7.309 3.545 1.00 25.00 C ATOM 930 O THR A 70 8.439 8.052 4.404 1.00 25.00 O ATOM 931 CB THR A 70 10.265 5.419 4.529 1.00 25.00 C ATOM 932 OG1 THR A 70 9.305 4.535 3.952 1.00 25.00 O ATOM 933 CG2 THR A 70 9.873 5.653 5.989 1.00 25.00 C ATOM 0 H THR A 70 11.040 7.801 5.351 1.00 25.00 H new ATOM 0 HA THR A 70 10.729 6.491 2.727 1.00 25.00 H new ATOM 0 HB THR A 70 11.269 4.995 4.508 1.00 25.00 H new ATOM 0 HG1 THR A 70 9.375 3.654 4.376 1.00 25.00 H new ATOM 0 HG21 THR A 70 9.857 4.700 6.518 1.00 25.00 H new ATOM 0 HG22 THR A 70 10.599 6.317 6.459 1.00 25.00 H new ATOM 0 HG23 THR A 70 8.884 6.109 6.032 1.00 25.00 H new ATOM 941 N PHE A 71 8.271 6.972 2.438 1.00 25.00 N ATOM 942 CA PHE A 71 6.917 7.417 2.142 1.00 25.00 C ATOM 943 C PHE A 71 6.047 6.194 1.888 1.00 25.00 C ATOM 944 O PHE A 71 4.924 6.306 1.407 1.00 25.00 O ATOM 945 CB PHE A 71 6.934 8.333 0.919 1.00 25.00 C ATOM 946 CG PHE A 71 7.981 9.408 1.000 1.00 25.00 C ATOM 947 CD1 PHE A 71 7.913 10.399 1.998 1.00 25.00 C ATOM 948 CD2 PHE A 71 9.061 9.418 0.096 1.00 25.00 C ATOM 949 CE1 PHE A 71 8.912 11.399 2.094 1.00 25.00 C ATOM 950 CE2 PHE A 71 10.066 10.414 0.182 1.00 25.00 C ATOM 951 CZ PHE A 71 9.991 11.405 1.184 1.00 25.00 C ATOM 0 H PHE A 71 8.676 6.378 1.714 1.00 25.00 H new ATOM 0 HA PHE A 71 6.510 7.978 2.983 1.00 25.00 H new ATOM 0 HB2 PHE A 71 7.107 7.733 0.026 1.00 25.00 H new ATOM 0 HB3 PHE A 71 5.954 8.797 0.807 1.00 25.00 H new ATOM 0 HD1 PHE A 71 7.090 10.397 2.698 1.00 25.00 H new ATOM 0 HD2 PHE A 71 9.124 8.659 -0.670 1.00 25.00 H new ATOM 0 HE1 PHE A 71 8.848 12.155 2.862 1.00 25.00 H new ATOM 0 HE2 PHE A 71 10.888 10.414 -0.518 1.00 25.00 H new ATOM 0 HZ PHE A 71 10.756 12.164 1.254 1.00 25.00 H new ATOM 961 N SER A 72 6.596 5.022 2.188 1.00 25.00 N ATOM 962 CA SER A 72 5.876 3.763 2.004 1.00 25.00 C ATOM 963 C SER A 72 4.725 3.712 2.977 1.00 25.00 C ATOM 964 O SER A 72 4.886 4.068 4.148 1.00 25.00 O ATOM 965 CB SER A 72 6.787 2.570 2.250 1.00 25.00 C ATOM 966 OG SER A 72 7.285 2.582 3.580 1.00 25.00 O ATOM 0 H SER A 72 7.539 4.916 2.561 1.00 25.00 H new ATOM 0 HA SER A 72 5.515 3.716 0.977 1.00 25.00 H new ATOM 0 HB2 SER A 72 6.239 1.645 2.070 1.00 25.00 H new ATOM 0 HB3 SER A 72 7.618 2.590 1.545 1.00 25.00 H new ATOM 0 HG SER A 72 7.859 3.366 3.707 1.00 25.00 H new ATOM 972 N ASP A 73 3.579 3.264 2.504 1.00 25.00 N ATOM 973 CA ASP A 73 2.390 3.211 3.338 1.00 25.00 C ATOM 974 C ASP A 73 2.213 1.837 3.926 1.00 25.00 C ATOM 975 O ASP A 73 2.718 0.848 3.388 1.00 25.00 O ATOM 976 CB ASP A 73 1.156 3.591 2.522 1.00 25.00 C ATOM 977 CG ASP A 73 1.158 5.045 2.144 1.00 25.00 C ATOM 978 OD1 ASP A 73 2.009 5.786 2.678 1.00 50.00 O ATOM 979 OD2 ASP A 73 0.366 5.490 1.290 1.00 50.00 O ATOM 0 H ASP A 73 3.444 2.932 1.549 1.00 25.00 H new ATOM 0 HA ASP A 73 2.512 3.924 4.153 1.00 25.00 H new ATOM 0 HB2 ASP A 73 1.116 2.982 1.619 1.00 25.00 H new ATOM 0 HB3 ASP A 73 0.258 3.367 3.097 1.00 25.00 H new ATOM 984 N LEU A 74 1.480 1.793 5.027 1.00 25.00 N ATOM 985 CA LEU A 74 1.112 0.544 5.672 1.00 25.00 C ATOM 986 C LEU A 74 -0.393 0.458 5.553 1.00 25.00 C ATOM 987 O LEU A 74 -1.104 1.365 5.982 1.00 25.00 O ATOM 988 CB LEU A 74 1.495 0.530 7.160 1.00 25.00 C ATOM 989 CG LEU A 74 2.947 0.186 7.536 1.00 25.00 C ATOM 990 CD1 LEU A 74 3.953 1.274 7.121 1.00 25.00 C ATOM 991 CD2 LEU A 74 3.026 -0.029 9.046 1.00 25.00 C ATOM 0 H LEU A 74 1.123 2.624 5.499 1.00 25.00 H new ATOM 0 HA LEU A 74 1.631 -0.292 5.203 1.00 25.00 H new ATOM 0 HB2 LEU A 74 1.269 1.514 7.571 1.00 25.00 H new ATOM 0 HB3 LEU A 74 0.843 -0.183 7.665 1.00 25.00 H new ATOM 0 HG LEU A 74 3.220 -0.719 6.992 1.00 25.00 H new ATOM 0 HD11 LEU A 74 4.958 0.971 7.414 1.00 25.00 H new ATOM 0 HD12 LEU A 74 3.916 1.411 6.040 1.00 25.00 H new ATOM 0 HD13 LEU A 74 3.698 2.212 7.614 1.00 25.00 H new ATOM 0 HD21 LEU A 74 4.051 -0.274 9.326 1.00 25.00 H new ATOM 0 HD22 LEU A 74 2.717 0.881 9.560 1.00 25.00 H new ATOM 0 HD23 LEU A 74 2.366 -0.848 9.332 1.00 25.00 H new ATOM 1003 N ILE A 75 -0.889 -0.625 4.990 1.00 25.00 N ATOM 1004 CA ILE A 75 -2.329 -0.849 4.960 1.00 25.00 C ATOM 1005 C ILE A 75 -2.559 -1.656 6.211 1.00 25.00 C ATOM 1006 O ILE A 75 -1.694 -2.421 6.622 1.00 25.00 O ATOM 1007 CB ILE A 75 -2.792 -1.601 3.706 1.00 25.00 C ATOM 1008 CG1 ILE A 75 -2.361 -0.807 2.448 1.00 25.00 C ATOM 1009 CG2 ILE A 75 -4.317 -1.814 3.720 1.00 25.00 C ATOM 1010 CD1 ILE A 75 -2.693 -1.462 1.107 1.00 25.00 C ATOM 0 H ILE A 75 -0.330 -1.357 4.552 1.00 25.00 H new ATOM 0 HA ILE A 75 -2.897 0.080 4.924 1.00 25.00 H new ATOM 0 HB ILE A 75 -2.325 -2.586 3.690 1.00 25.00 H new ATOM 0 HG12 ILE A 75 -2.835 0.174 2.480 1.00 25.00 H new ATOM 0 HG13 ILE A 75 -1.284 -0.643 2.495 1.00 25.00 H new ATOM 0 HG21 ILE A 75 -4.618 -2.349 2.819 1.00 25.00 H new ATOM 0 HG22 ILE A 75 -4.595 -2.396 4.598 1.00 25.00 H new ATOM 0 HG23 ILE A 75 -4.819 -0.847 3.752 1.00 25.00 H new ATOM 0 HD11 ILE A 75 -2.348 -0.823 0.294 1.00 25.00 H new ATOM 0 HD12 ILE A 75 -2.197 -2.430 1.042 1.00 25.00 H new ATOM 0 HD13 ILE A 75 -3.771 -1.601 1.027 1.00 25.00 H new ATOM 1022 N LEU A 76 -3.689 -1.419 6.838 1.00 25.00 N ATOM 1023 CA LEU A 76 -4.023 -2.007 8.129 1.00 25.00 C ATOM 1024 C LEU A 76 -5.333 -2.758 8.005 1.00 25.00 C ATOM 1025 O LEU A 76 -6.260 -2.291 7.327 1.00 25.00 O ATOM 1026 CB LEU A 76 -4.174 -0.908 9.194 1.00 25.00 C ATOM 1027 CG LEU A 76 -2.987 -0.578 10.118 1.00 25.00 C ATOM 1028 CD1 LEU A 76 -2.654 -1.775 11.010 1.00 25.00 C ATOM 1029 CD2 LEU A 76 -1.742 -0.136 9.342 1.00 25.00 C ATOM 0 H LEU A 76 -4.415 -0.806 6.467 1.00 25.00 H new ATOM 0 HA LEU A 76 -3.224 -2.685 8.429 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -4.451 0.011 8.678 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -5.016 -1.183 9.830 1.00 25.00 H new ATOM 0 HG LEU A 76 -3.295 0.263 10.739 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -1.813 -1.524 11.656 1.00 25.00 H new ATOM 0 HD12 LEU A 76 -3.520 -2.025 11.622 1.00 25.00 H new ATOM 0 HD13 LEU A 76 -2.391 -2.630 10.388 1.00 25.00 H new ATOM 0 HD21 LEU A 76 -0.936 0.084 10.042 1.00 25.00 H new ATOM 0 HD22 LEU A 76 -1.430 -0.935 8.669 1.00 25.00 H new ATOM 0 HD23 LEU A 76 -1.973 0.758 8.762 1.00 25.00 H new ATOM 1041 N ASP A 77 -5.395 -3.903 8.675 1.00 25.00 N ATOM 1042 CA ASP A 77 -6.592 -4.755 8.724 1.00 25.00 C ATOM 1043 C ASP A 77 -7.032 -5.089 7.303 1.00 25.00 C ATOM 1044 O ASP A 77 -8.184 -4.874 6.896 1.00 25.00 O ATOM 1045 CB ASP A 77 -7.711 -4.079 9.532 1.00 25.00 C ATOM 1046 CG ASP A 77 -7.288 -3.767 10.962 1.00 25.00 C ATOM 1047 OD1 ASP A 77 -6.361 -4.430 11.487 1.00 25.00 O ATOM 1048 OD2 ASP A 77 -7.874 -2.838 11.558 1.00 25.00 O ATOM 0 H ASP A 77 -4.609 -4.276 9.208 1.00 25.00 H new ATOM 0 HA ASP A 77 -6.356 -5.688 9.236 1.00 25.00 H new ATOM 0 HB2 ASP A 77 -8.008 -3.156 9.034 1.00 25.00 H new ATOM 0 HB3 ASP A 77 -8.586 -4.728 9.548 1.00 25.00 H new ATOM 1053 N PHE A 78 -6.066 -5.552 6.524 1.00 25.00 N ATOM 1054 CA PHE A 78 -6.281 -5.856 5.119 1.00 25.00 C ATOM 1055 C PHE A 78 -7.000 -7.187 4.938 1.00 25.00 C ATOM 1056 O PHE A 78 -6.577 -8.219 5.467 1.00 25.00 O ATOM 1057 CB PHE A 78 -4.938 -5.904 4.390 1.00 25.00 C ATOM 1058 CG PHE A 78 -5.068 -6.151 2.917 1.00 25.00 C ATOM 1059 CD1 PHE A 78 -5.619 -5.165 2.086 1.00 25.00 C ATOM 1060 CD2 PHE A 78 -4.652 -7.369 2.349 1.00 25.00 C ATOM 1061 CE1 PHE A 78 -5.774 -5.388 0.701 1.00 25.00 C ATOM 1062 CE2 PHE A 78 -4.795 -7.601 0.958 1.00 25.00 C ATOM 1063 CZ PHE A 78 -5.367 -6.611 0.139 1.00 25.00 C ATOM 0 H PHE A 78 -5.115 -5.727 6.847 1.00 25.00 H new ATOM 0 HA PHE A 78 -6.908 -5.069 4.699 1.00 25.00 H new ATOM 0 HB2 PHE A 78 -4.414 -4.962 4.548 1.00 25.00 H new ATOM 0 HB3 PHE A 78 -4.322 -6.689 4.829 1.00 25.00 H new ATOM 0 HD1 PHE A 78 -5.929 -4.222 2.512 1.00 25.00 H new ATOM 0 HD2 PHE A 78 -4.220 -8.133 2.978 1.00 25.00 H new ATOM 0 HE1 PHE A 78 -6.204 -4.621 0.074 1.00 25.00 H new ATOM 0 HE2 PHE A 78 -4.466 -8.535 0.528 1.00 25.00 H new ATOM 0 HZ PHE A 78 -5.493 -6.790 -0.919 1.00 25.00 H new ATOM 1073 N ASP A 79 -8.063 -7.164 4.148 1.00 25.00 N ATOM 1074 CA ASP A 79 -8.834 -8.368 3.830 1.00 25.00 C ATOM 1075 C ASP A 79 -8.487 -8.835 2.416 1.00 25.00 C ATOM 1076 O ASP A 79 -9.106 -8.389 1.463 1.00 25.00 O ATOM 1077 CB ASP A 79 -10.340 -8.078 3.859 1.00 25.00 C ATOM 1078 CG ASP A 79 -10.831 -7.652 5.218 1.00 25.00 C ATOM 1079 OD1 ASP A 79 -10.565 -8.340 6.211 1.00 25.00 O ATOM 1080 OD2 ASP A 79 -11.540 -6.611 5.271 1.00 25.00 O ATOM 0 H ASP A 79 -8.419 -6.315 3.708 1.00 25.00 H new ATOM 0 HA ASP A 79 -8.588 -9.128 4.572 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -10.568 -7.296 3.135 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -10.882 -8.970 3.546 1.00 25.00 H new ATOM 1085 N PRO A 80 -7.534 -9.764 2.248 1.00 25.00 N ATOM 1086 CA PRO A 80 -7.201 -10.194 0.878 1.00 25.00 C ATOM 1087 C PRO A 80 -8.341 -10.901 0.139 1.00 25.00 C ATOM 1088 O PRO A 80 -8.324 -11.021 -1.080 1.00 25.00 O ATOM 1089 CB PRO A 80 -6.021 -11.143 1.102 1.00 25.00 C ATOM 1090 CG PRO A 80 -6.214 -11.641 2.482 1.00 25.00 C ATOM 1091 CD PRO A 80 -6.701 -10.463 3.239 1.00 25.00 C ATOM 0 HA PRO A 80 -6.985 -9.340 0.236 1.00 25.00 H new ATOM 0 HB2 PRO A 80 -6.024 -11.959 0.380 1.00 25.00 H new ATOM 0 HB3 PRO A 80 -5.068 -10.626 0.995 1.00 25.00 H new ATOM 0 HG2 PRO A 80 -6.936 -12.457 2.512 1.00 25.00 H new ATOM 0 HG3 PRO A 80 -5.283 -12.023 2.900 1.00 25.00 H new ATOM 0 HD2 PRO A 80 -7.276 -10.756 4.117 1.00 25.00 H new ATOM 0 HD3 PRO A 80 -5.879 -9.839 3.590 1.00 25.00 H new ATOM 1099 N SER A 81 -9.353 -11.332 0.880 1.00 25.00 N ATOM 1100 CA SER A 81 -10.525 -11.967 0.288 1.00 25.00 C ATOM 1101 C SER A 81 -11.536 -10.954 -0.272 1.00 25.00 C ATOM 1102 O SER A 81 -12.505 -11.353 -0.912 1.00 25.00 O ATOM 1103 CB SER A 81 -11.224 -12.821 1.351 1.00 25.00 C ATOM 1104 OG SER A 81 -12.342 -13.502 0.806 1.00 25.00 O ATOM 0 H SER A 81 -9.387 -11.253 1.896 1.00 25.00 H new ATOM 0 HA SER A 81 -10.173 -12.576 -0.545 1.00 25.00 H new ATOM 0 HB2 SER A 81 -10.519 -13.544 1.762 1.00 25.00 H new ATOM 0 HB3 SER A 81 -11.548 -12.187 2.176 1.00 25.00 H new ATOM 0 HG SER A 81 -12.652 -13.033 0.003 1.00 25.00 H new ATOM 1110 N GLN A 82 -11.363 -9.668 0.034 1.00 25.00 N ATOM 1111 CA GLN A 82 -12.359 -8.639 -0.325 1.00 25.00 C ATOM 1112 C GLN A 82 -11.753 -7.338 -0.870 1.00 25.00 C ATOM 1113 O GLN A 82 -12.338 -6.679 -1.721 1.00 25.00 O ATOM 1114 CB GLN A 82 -13.170 -8.259 0.929 1.00 25.00 C ATOM 1115 CG GLN A 82 -13.994 -9.392 1.553 1.00 25.00 C ATOM 1116 CD GLN A 82 -15.176 -9.803 0.695 1.00 25.00 C ATOM 1117 OE1 GLN A 82 -16.014 -8.991 0.352 1.00 25.00 O ATOM 1118 NE2 GLN A 82 -15.260 -11.066 0.376 1.00 25.00 N ATOM 0 H GLN A 82 -10.547 -9.307 0.528 1.00 25.00 H new ATOM 0 HA GLN A 82 -12.968 -9.084 -1.112 1.00 25.00 H new ATOM 0 HB2 GLN A 82 -12.482 -7.877 1.683 1.00 25.00 H new ATOM 0 HB3 GLN A 82 -13.845 -7.443 0.670 1.00 25.00 H new ATOM 0 HG2 GLN A 82 -13.350 -10.257 1.714 1.00 25.00 H new ATOM 0 HG3 GLN A 82 -14.354 -9.076 2.532 1.00 25.00 H new ATOM 0 HE21 GLN A 82 -14.538 -11.718 0.682 1.00 25.00 H new ATOM 0 HE22 GLN A 82 -16.048 -11.401 -0.179 1.00 25.00 H new ATOM 1127 N ASP A 83 -10.628 -6.935 -0.308 1.00 25.00 N ATOM 1128 CA ASP A 83 -10.026 -5.633 -0.588 1.00 25.00 C ATOM 1129 C ASP A 83 -9.152 -5.656 -1.844 1.00 25.00 C ATOM 1130 O ASP A 83 -8.730 -6.714 -2.305 1.00 25.00 O ATOM 1131 CB ASP A 83 -9.171 -5.196 0.608 1.00 25.00 C ATOM 1132 CG ASP A 83 -9.995 -4.942 1.872 1.00 25.00 C ATOM 1133 OD1 ASP A 83 -11.235 -4.874 1.803 1.00 50.00 O ATOM 1134 OD2 ASP A 83 -9.410 -4.808 2.969 1.00 50.00 O ATOM 0 H ASP A 83 -10.100 -7.499 0.358 1.00 25.00 H new ATOM 0 HA ASP A 83 -10.840 -4.928 -0.759 1.00 25.00 H new ATOM 0 HB2 ASP A 83 -8.426 -5.964 0.815 1.00 25.00 H new ATOM 0 HB3 ASP A 83 -8.628 -4.288 0.347 1.00 25.00 H new ATOM 1139 N LYS A 84 -8.864 -4.475 -2.377 1.00 25.00 N ATOM 1140 CA LYS A 84 -8.061 -4.320 -3.592 1.00 25.00 C ATOM 1141 C LYS A 84 -6.952 -3.296 -3.353 1.00 25.00 C ATOM 1142 O LYS A 84 -7.170 -2.313 -2.650 1.00 25.00 O ATOM 1143 CB LYS A 84 -8.982 -3.838 -4.726 1.00 25.00 C ATOM 1144 CG LYS A 84 -8.364 -3.852 -6.123 1.00 25.00 C ATOM 1145 CD LYS A 84 -8.282 -5.267 -6.681 1.00 25.00 C ATOM 1146 CE LYS A 84 -7.583 -5.265 -8.026 1.00 25.00 C ATOM 1147 NZ LYS A 84 -7.553 -6.640 -8.628 1.00 25.00 N ATOM 0 H LYS A 84 -9.181 -3.591 -1.979 1.00 25.00 H new ATOM 0 HA LYS A 84 -7.604 -5.272 -3.862 1.00 25.00 H new ATOM 0 HB2 LYS A 84 -9.875 -4.463 -4.736 1.00 25.00 H new ATOM 0 HB3 LYS A 84 -9.306 -2.822 -4.501 1.00 25.00 H new ATOM 0 HG2 LYS A 84 -8.959 -3.230 -6.792 1.00 25.00 H new ATOM 0 HG3 LYS A 84 -7.366 -3.416 -6.085 1.00 25.00 H new ATOM 0 HD2 LYS A 84 -7.742 -5.909 -5.985 1.00 25.00 H new ATOM 0 HD3 LYS A 84 -9.284 -5.682 -6.786 1.00 25.00 H new ATOM 0 HE2 LYS A 84 -8.094 -4.581 -8.703 1.00 25.00 H new ATOM 0 HE3 LYS A 84 -6.564 -4.895 -7.908 1.00 25.00 H new ATOM 0 HZ1 LYS A 84 -6.566 -6.927 -8.788 1.00 25.00 H new ATOM 0 HZ2 LYS A 84 -8.009 -7.313 -7.979 1.00 25.00 H new ATOM 0 HZ3 LYS A 84 -8.063 -6.633 -9.534 1.00 25.00 H new ATOM 1161 N ILE A 85 -5.782 -3.516 -3.938 1.00 25.00 N ATOM 1162 CA ILE A 85 -4.661 -2.575 -3.833 1.00 25.00 C ATOM 1163 C ILE A 85 -4.205 -2.155 -5.234 1.00 25.00 C ATOM 1164 O ILE A 85 -3.656 -2.970 -5.993 1.00 25.00 O ATOM 1165 CB ILE A 85 -3.424 -3.187 -3.099 1.00 25.00 C ATOM 1166 CG1 ILE A 85 -3.831 -3.820 -1.754 1.00 25.00 C ATOM 1167 CG2 ILE A 85 -2.351 -2.081 -2.860 1.00 25.00 C ATOM 1168 CD1 ILE A 85 -2.698 -4.630 -1.076 1.00 25.00 C ATOM 0 H ILE A 85 -5.578 -4.345 -4.497 1.00 25.00 H new ATOM 0 HA ILE A 85 -5.025 -1.726 -3.255 1.00 25.00 H new ATOM 0 HB ILE A 85 -3.007 -3.971 -3.731 1.00 25.00 H new ATOM 0 HG12 ILE A 85 -4.157 -3.031 -1.076 1.00 25.00 H new ATOM 0 HG13 ILE A 85 -4.687 -4.475 -1.916 1.00 25.00 H new ATOM 0 HG21 ILE A 85 -1.491 -2.513 -2.348 1.00 25.00 H new ATOM 0 HG22 ILE A 85 -2.034 -1.669 -3.818 1.00 25.00 H new ATOM 0 HG23 ILE A 85 -2.777 -1.287 -2.247 1.00 25.00 H new ATOM 0 HD11 ILE A 85 -3.060 -5.044 -0.135 1.00 25.00 H new ATOM 0 HD12 ILE A 85 -2.387 -5.441 -1.734 1.00 25.00 H new ATOM 0 HD13 ILE A 85 -1.849 -3.975 -0.881 1.00 25.00 H new ATOM 1180 N ASP A 86 -4.405 -0.890 -5.567 1.00 25.00 N ATOM 1181 CA ASP A 86 -3.970 -0.358 -6.859 1.00 25.00 C ATOM 1182 C ASP A 86 -2.587 0.274 -6.725 1.00 25.00 C ATOM 1183 O ASP A 86 -2.383 1.175 -5.915 1.00 25.00 O ATOM 1184 CB ASP A 86 -4.952 0.688 -7.379 1.00 25.00 C ATOM 1185 CG ASP A 86 -6.196 0.074 -8.005 1.00 25.00 C ATOM 1186 OD1 ASP A 86 -6.264 -1.170 -8.148 1.00 25.00 O ATOM 1187 OD2 ASP A 86 -7.073 0.855 -8.427 1.00 25.00 O ATOM 0 H ASP A 86 -4.865 -0.208 -4.964 1.00 25.00 H new ATOM 0 HA ASP A 86 -3.931 -1.186 -7.567 1.00 25.00 H new ATOM 0 HB2 ASP A 86 -5.249 1.340 -6.558 1.00 25.00 H new ATOM 0 HB3 ASP A 86 -4.451 1.314 -8.118 1.00 25.00 H new ATOM 1192 N VAL A 87 -1.640 -0.191 -7.534 1.00 25.00 N ATOM 1193 CA VAL A 87 -0.247 0.293 -7.478 1.00 25.00 C ATOM 1194 C VAL A 87 0.265 0.755 -8.850 1.00 25.00 C ATOM 1195 O VAL A 87 1.468 0.788 -9.106 1.00 25.00 O ATOM 1196 CB VAL A 87 0.707 -0.825 -6.929 1.00 25.00 C ATOM 1197 CG1 VAL A 87 0.357 -1.160 -5.478 1.00 25.00 C ATOM 1198 CG2 VAL A 87 0.621 -2.113 -7.782 1.00 25.00 C ATOM 0 H VAL A 87 -1.804 -0.906 -8.243 1.00 25.00 H new ATOM 0 HA VAL A 87 -0.244 1.150 -6.804 1.00 25.00 H new ATOM 0 HB VAL A 87 1.725 -0.439 -6.983 1.00 25.00 H new ATOM 0 HG11 VAL A 87 1.028 -1.937 -5.112 1.00 25.00 H new ATOM 0 HG12 VAL A 87 0.466 -0.267 -4.862 1.00 25.00 H new ATOM 0 HG13 VAL A 87 -0.672 -1.515 -5.425 1.00 25.00 H new ATOM 0 HG21 VAL A 87 1.295 -2.866 -7.373 1.00 25.00 H new ATOM 0 HG22 VAL A 87 -0.401 -2.493 -7.765 1.00 25.00 H new ATOM 0 HG23 VAL A 87 0.908 -1.889 -8.809 1.00 25.00 H new ATOM 1208 N SER A 88 -0.653 1.092 -9.744 1.00 25.00 N ATOM 1209 CA SER A 88 -0.288 1.426 -11.129 1.00 25.00 C ATOM 1210 C SER A 88 0.674 2.611 -11.282 1.00 25.00 C ATOM 1211 O SER A 88 1.418 2.665 -12.251 1.00 25.00 O ATOM 1212 CB SER A 88 -1.542 1.704 -11.957 1.00 25.00 C ATOM 1213 OG SER A 88 -1.227 1.798 -13.333 1.00 25.00 O ATOM 0 H SER A 88 -1.652 1.144 -9.545 1.00 25.00 H new ATOM 0 HA SER A 88 0.246 0.547 -11.492 1.00 25.00 H new ATOM 0 HB2 SER A 88 -2.270 0.908 -11.800 1.00 25.00 H new ATOM 0 HB3 SER A 88 -2.006 2.632 -11.622 1.00 25.00 H new ATOM 0 HG SER A 88 -2.044 1.975 -13.844 1.00 25.00 H new ATOM 1219 N ALA A 89 0.659 3.562 -10.354 1.00 25.00 N ATOM 1220 CA ALA A 89 1.556 4.722 -10.447 1.00 25.00 C ATOM 1221 C ALA A 89 2.996 4.388 -10.049 1.00 25.00 C ATOM 1222 O ALA A 89 3.898 5.186 -10.280 1.00 25.00 O ATOM 1223 CB ALA A 89 1.040 5.862 -9.583 1.00 25.00 C ATOM 0 H ALA A 89 0.047 3.559 -9.538 1.00 25.00 H new ATOM 0 HA ALA A 89 1.567 5.025 -11.494 1.00 25.00 H new ATOM 0 HB1 ALA A 89 1.716 6.714 -9.663 1.00 25.00 H new ATOM 0 HB2 ALA A 89 0.046 6.154 -9.922 1.00 25.00 H new ATOM 0 HB3 ALA A 89 0.988 5.536 -8.544 1.00 25.00 H new ATOM 1229 N LEU A 90 3.199 3.237 -9.426 1.00 25.00 N ATOM 1230 CA LEU A 90 4.544 2.814 -9.038 1.00 25.00 C ATOM 1231 C LEU A 90 5.094 2.079 -10.246 1.00 25.00 C ATOM 1232 O LEU A 90 6.135 2.424 -10.784 1.00 25.00 O ATOM 1233 CB LEU A 90 4.505 1.889 -7.809 1.00 25.00 C ATOM 1234 CG LEU A 90 3.618 2.346 -6.641 1.00 25.00 C ATOM 1235 CD1 LEU A 90 3.696 1.337 -5.500 1.00 25.00 C ATOM 1236 CD2 LEU A 90 3.989 3.729 -6.102 1.00 25.00 C ATOM 0 H LEU A 90 2.459 2.581 -9.178 1.00 25.00 H new ATOM 0 HA LEU A 90 5.166 3.664 -8.757 1.00 25.00 H new ATOM 0 HB2 LEU A 90 4.165 0.905 -8.132 1.00 25.00 H new ATOM 0 HB3 LEU A 90 5.523 1.769 -7.439 1.00 25.00 H new ATOM 0 HG LEU A 90 2.604 2.410 -7.037 1.00 25.00 H new ATOM 0 HD11 LEU A 90 3.064 1.669 -4.676 1.00 25.00 H new ATOM 0 HD12 LEU A 90 3.353 0.364 -5.851 1.00 25.00 H new ATOM 0 HD13 LEU A 90 4.727 1.256 -5.156 1.00 25.00 H new ATOM 0 HD21 LEU A 90 3.323 3.989 -5.279 1.00 25.00 H new ATOM 0 HD22 LEU A 90 5.019 3.716 -5.745 1.00 25.00 H new ATOM 0 HD23 LEU A 90 3.890 4.468 -6.897 1.00 25.00 H new ATOM 1248 N GLY A 91 4.296 1.130 -10.716 1.00 25.00 N ATOM 1249 CA GLY A 91 4.613 0.399 -11.933 1.00 25.00 C ATOM 1250 C GLY A 91 5.623 -0.717 -11.739 1.00 25.00 C ATOM 1251 O GLY A 91 6.793 -0.474 -11.502 1.00 25.00 O ATOM 0 H GLY A 91 3.422 0.849 -10.271 1.00 25.00 H new ATOM 0 HA2 GLY A 91 3.694 -0.023 -12.340 1.00 25.00 H new ATOM 0 HA3 GLY A 91 4.998 1.099 -12.675 1.00 25.00 H new ATOM 1327 N ASN A 97 11.557 -10.786 -9.178 1.00 25.00 N ATOM 1328 CA ASN A 97 12.937 -11.131 -8.803 1.00 25.00 C ATOM 1329 C ASN A 97 13.435 -10.186 -7.700 1.00 25.00 C ATOM 1330 O ASN A 97 14.563 -10.304 -7.234 1.00 25.00 O ATOM 1331 CB ASN A 97 13.873 -11.021 -10.014 1.00 25.00 C ATOM 1332 CG ASN A 97 13.480 -11.940 -11.138 1.00 25.00 C ATOM 1333 OD1 ASN A 97 13.392 -13.139 -10.975 1.00 25.00 O ATOM 1334 ND2 ASN A 97 13.249 -11.376 -12.295 1.00 25.00 N ATOM 0 HA ASN A 97 12.941 -12.159 -8.440 1.00 25.00 H new ATOM 0 HB2 ASN A 97 13.874 -9.992 -10.375 1.00 25.00 H new ATOM 0 HB3 ASN A 97 14.892 -11.250 -9.702 1.00 25.00 H new ATOM 0 HD21 ASN A 97 12.985 -11.948 -13.097 1.00 25.00 H new ATOM 0 HD22 ASN A 97 13.333 -10.364 -12.395 1.00 25.00 H new ATOM 1341 N GLY A 98 12.600 -9.226 -7.316 1.00 25.00 N ATOM 1342 CA GLY A 98 12.946 -8.266 -6.271 1.00 25.00 C ATOM 1343 C GLY A 98 13.797 -7.083 -6.688 1.00 25.00 C ATOM 1344 O GLY A 98 14.115 -6.227 -5.856 1.00 25.00 O ATOM 0 H GLY A 98 11.671 -9.091 -7.716 1.00 25.00 H new ATOM 0 HA2 GLY A 98 12.021 -7.884 -5.840 1.00 25.00 H new ATOM 0 HA3 GLY A 98 13.470 -8.800 -5.479 1.00 25.00 H new ATOM 1348 N TYR A 99 14.182 -7.037 -7.955 1.00 25.00 N ATOM 1349 CA TYR A 99 15.022 -5.963 -8.473 1.00 25.00 C ATOM 1350 C TYR A 99 14.561 -5.559 -9.862 1.00 25.00 C ATOM 1351 O TYR A 99 14.005 -6.382 -10.585 1.00 25.00 O ATOM 1352 CB TYR A 99 16.485 -6.418 -8.549 1.00 25.00 C ATOM 1353 CG TYR A 99 17.085 -6.781 -7.206 1.00 25.00 C ATOM 1354 CD1 TYR A 99 17.663 -5.793 -6.384 1.00 25.00 C ATOM 1355 CD2 TYR A 99 17.080 -8.115 -6.745 1.00 25.00 C ATOM 1356 CE1 TYR A 99 18.218 -6.126 -5.119 1.00 25.00 C ATOM 1357 CE2 TYR A 99 17.632 -8.452 -5.482 1.00 25.00 C ATOM 1358 CZ TYR A 99 18.193 -7.451 -4.681 1.00 25.00 C ATOM 1359 OH TYR A 99 18.730 -7.773 -3.460 1.00 25.00 O ATOM 0 H TYR A 99 13.924 -7.737 -8.650 1.00 25.00 H new ATOM 0 HA TYR A 99 14.940 -5.112 -7.797 1.00 25.00 H new ATOM 0 HB2 TYR A 99 16.553 -7.281 -9.212 1.00 25.00 H new ATOM 0 HB3 TYR A 99 17.080 -5.623 -8.999 1.00 25.00 H new ATOM 0 HD1 TYR A 99 17.684 -4.767 -6.721 1.00 25.00 H new ATOM 0 HD2 TYR A 99 16.650 -8.890 -7.362 1.00 25.00 H new ATOM 0 HE1 TYR A 99 18.657 -5.358 -4.500 1.00 25.00 H new ATOM 0 HE2 TYR A 99 17.619 -9.476 -5.140 1.00 25.00 H new ATOM 0 HH TYR A 99 18.632 -8.735 -3.303 1.00 25.00 H new ATOM 1369 N ALA A 100 14.853 -4.320 -10.241 1.00 25.00 N ATOM 1370 CA ALA A 100 14.596 -3.792 -11.584 1.00 25.00 C ATOM 1371 C ALA A 100 13.131 -3.899 -12.033 1.00 25.00 C ATOM 1372 O ALA A 100 12.844 -4.359 -13.135 1.00 25.00 O ATOM 1373 CB ALA A 100 15.538 -4.468 -12.610 1.00 25.00 C ATOM 0 H ALA A 100 15.283 -3.639 -9.615 1.00 25.00 H new ATOM 0 HA ALA A 100 14.806 -2.723 -11.536 1.00 25.00 H new ATOM 0 HB1 ALA A 100 15.339 -4.069 -13.605 1.00 25.00 H new ATOM 0 HB2 ALA A 100 16.575 -4.268 -12.339 1.00 25.00 H new ATOM 0 HB3 ALA A 100 15.364 -5.544 -12.609 1.00 25.00 H new ATOM 1379 N GLY A 101 12.219 -3.439 -11.188 1.00 25.00 N ATOM 1380 CA GLY A 101 10.816 -3.365 -11.575 1.00 25.00 C ATOM 1381 C GLY A 101 10.109 -4.689 -11.431 1.00 25.00 C ATOM 1382 O GLY A 101 9.084 -4.946 -12.071 1.00 25.00 O ATOM 0 H GLY A 101 12.420 -3.115 -10.242 1.00 25.00 H new ATOM 0 HA2 GLY A 101 10.312 -2.618 -10.962 1.00 25.00 H new ATOM 0 HA3 GLY A 101 10.745 -3.029 -12.609 1.00 25.00 H new ATOM 1386 N THR A 102 10.664 -5.554 -10.600 1.00 25.00 N ATOM 1387 CA THR A 102 10.088 -6.868 -10.353 1.00 25.00 C ATOM 1388 C THR A 102 10.041 -7.025 -8.839 1.00 25.00 C ATOM 1389 O THR A 102 10.938 -6.567 -8.151 1.00 25.00 O ATOM 1390 CB THR A 102 10.934 -7.989 -10.999 1.00 25.00 C ATOM 1391 OG1 THR A 102 12.105 -8.212 -10.222 1.00 25.00 O ATOM 1392 CG2 THR A 102 11.400 -7.618 -12.403 1.00 25.00 C ATOM 0 H THR A 102 11.521 -5.369 -10.079 1.00 25.00 H new ATOM 0 HA THR A 102 9.095 -6.949 -10.796 1.00 25.00 H new ATOM 0 HB THR A 102 10.300 -8.874 -11.046 1.00 25.00 H new ATOM 0 HG1 THR A 102 12.661 -7.405 -10.229 1.00 25.00 H new ATOM 0 HG21 THR A 102 11.991 -8.435 -12.818 1.00 25.00 H new ATOM 0 HG22 THR A 102 10.533 -7.438 -13.038 1.00 25.00 H new ATOM 0 HG23 THR A 102 12.010 -6.716 -12.357 1.00 25.00 H new ATOM 1400 N LEU A 103 8.973 -7.602 -8.313 1.00 25.00 N ATOM 1401 CA LEU A 103 8.755 -7.607 -6.859 1.00 25.00 C ATOM 1402 C LEU A 103 9.362 -8.782 -6.096 1.00 25.00 C ATOM 1403 O LEU A 103 9.543 -9.862 -6.625 1.00 25.00 O ATOM 1404 CB LEU A 103 7.244 -7.595 -6.577 1.00 25.00 C ATOM 1405 CG LEU A 103 6.515 -6.258 -6.771 1.00 25.00 C ATOM 1406 CD1 LEU A 103 5.005 -6.495 -6.766 1.00 25.00 C ATOM 1407 CD2 LEU A 103 6.881 -5.265 -5.661 1.00 25.00 C ATOM 0 H LEU A 103 8.247 -8.070 -8.855 1.00 25.00 H new ATOM 0 HA LEU A 103 9.269 -6.715 -6.500 1.00 25.00 H new ATOM 0 HB2 LEU A 103 6.772 -8.336 -7.222 1.00 25.00 H new ATOM 0 HB3 LEU A 103 7.088 -7.921 -5.549 1.00 25.00 H new ATOM 0 HG LEU A 103 6.822 -5.834 -7.727 1.00 25.00 H new ATOM 0 HD11 LEU A 103 4.487 -5.546 -6.904 1.00 25.00 H new ATOM 0 HD12 LEU A 103 4.741 -7.174 -7.577 1.00 25.00 H new ATOM 0 HD13 LEU A 103 4.709 -6.935 -5.814 1.00 25.00 H new ATOM 0 HD21 LEU A 103 6.351 -4.327 -5.823 1.00 25.00 H new ATOM 0 HD22 LEU A 103 6.597 -5.680 -4.694 1.00 25.00 H new ATOM 0 HD23 LEU A 103 7.955 -5.082 -5.676 1.00 25.00 H new ATOM 1419 N ALA A 104 9.574 -8.567 -4.809 1.00 25.00 N ATOM 1420 CA ALA A 104 9.911 -9.620 -3.861 1.00 25.00 C ATOM 1421 C ALA A 104 9.063 -9.321 -2.638 1.00 25.00 C ATOM 1422 O ALA A 104 8.671 -8.165 -2.422 1.00 25.00 O ATOM 1423 CB ALA A 104 11.398 -9.602 -3.503 1.00 25.00 C ATOM 0 H ALA A 104 9.516 -7.641 -4.385 1.00 25.00 H new ATOM 0 HA ALA A 104 9.718 -10.610 -4.274 1.00 25.00 H new ATOM 0 HB1 ALA A 104 11.611 -10.402 -2.794 1.00 25.00 H new ATOM 0 HB2 ALA A 104 11.991 -9.750 -4.405 1.00 25.00 H new ATOM 0 HB3 ALA A 104 11.653 -8.642 -3.054 1.00 25.00 H new ATOM 1429 N VAL A 105 8.781 -10.347 -1.855 1.00 25.00 N ATOM 1430 CA VAL A 105 7.939 -10.221 -0.678 1.00 25.00 C ATOM 1431 C VAL A 105 8.674 -10.830 0.514 1.00 25.00 C ATOM 1432 O VAL A 105 9.521 -11.707 0.348 1.00 25.00 O ATOM 1433 CB VAL A 105 6.560 -10.923 -0.936 1.00 25.00 C ATOM 1434 CG1 VAL A 105 6.709 -12.453 -1.045 1.00 25.00 C ATOM 1435 CG2 VAL A 105 5.532 -10.566 0.140 1.00 25.00 C ATOM 0 H VAL A 105 9.129 -11.292 -2.017 1.00 25.00 H new ATOM 0 HA VAL A 105 7.735 -9.173 -0.460 1.00 25.00 H new ATOM 0 HB VAL A 105 6.195 -10.548 -1.892 1.00 25.00 H new ATOM 0 HG11 VAL A 105 5.732 -12.902 -1.224 1.00 25.00 H new ATOM 0 HG12 VAL A 105 7.376 -12.696 -1.872 1.00 25.00 H new ATOM 0 HG13 VAL A 105 7.124 -12.845 -0.117 1.00 25.00 H new ATOM 0 HG21 VAL A 105 4.590 -11.072 -0.074 1.00 25.00 H new ATOM 0 HG22 VAL A 105 5.901 -10.884 1.115 1.00 25.00 H new ATOM 0 HG23 VAL A 105 5.371 -9.488 0.146 1.00 25.00 H new ATOM 1445 N SER A 106 8.360 -10.352 1.707 1.00 25.00 N ATOM 1446 CA SER A 106 8.930 -10.876 2.942 1.00 25.00 C ATOM 1447 C SER A 106 7.860 -10.702 4.007 1.00 25.00 C ATOM 1448 O SER A 106 6.911 -9.942 3.803 1.00 25.00 O ATOM 1449 CB SER A 106 10.201 -10.111 3.306 1.00 25.00 C ATOM 1450 OG SER A 106 9.947 -8.723 3.349 1.00 25.00 O ATOM 0 H SER A 106 7.700 -9.587 1.849 1.00 25.00 H new ATOM 0 HA SER A 106 9.213 -11.924 2.843 1.00 25.00 H new ATOM 0 HB2 SER A 106 10.572 -10.449 4.274 1.00 25.00 H new ATOM 0 HB3 SER A 106 10.981 -10.321 2.575 1.00 25.00 H new ATOM 0 HG SER A 106 10.770 -8.247 3.585 1.00 25.00 H new ATOM 1456 N LEU A 107 7.989 -11.423 5.112 1.00 25.00 N ATOM 1457 CA LEU A 107 6.991 -11.406 6.181 1.00 25.00 C ATOM 1458 C LEU A 107 7.675 -11.174 7.516 1.00 25.00 C ATOM 1459 O LEU A 107 8.880 -11.388 7.650 1.00 25.00 O ATOM 1460 CB LEU A 107 6.265 -12.761 6.250 1.00 25.00 C ATOM 1461 CG LEU A 107 5.403 -13.179 5.049 1.00 25.00 C ATOM 1462 CD1 LEU A 107 4.993 -14.642 5.204 1.00 25.00 C ATOM 1463 CD2 LEU A 107 4.158 -12.313 4.939 1.00 25.00 C ATOM 0 H LEU A 107 8.784 -12.035 5.296 1.00 25.00 H new ATOM 0 HA LEU A 107 6.278 -10.609 5.972 1.00 25.00 H new ATOM 0 HB2 LEU A 107 7.016 -13.535 6.407 1.00 25.00 H new ATOM 0 HB3 LEU A 107 5.626 -12.753 7.133 1.00 25.00 H new ATOM 0 HG LEU A 107 5.992 -13.049 4.141 1.00 25.00 H new ATOM 0 HD11 LEU A 107 4.381 -14.941 4.353 1.00 25.00 H new ATOM 0 HD12 LEU A 107 5.885 -15.267 5.247 1.00 25.00 H new ATOM 0 HD13 LEU A 107 4.420 -14.764 6.123 1.00 25.00 H new ATOM 0 HD21 LEU A 107 3.568 -12.632 4.080 1.00 25.00 H new ATOM 0 HD22 LEU A 107 3.563 -12.415 5.846 1.00 25.00 H new ATOM 0 HD23 LEU A 107 4.450 -11.271 4.811 1.00 25.00 H new ATOM 1534 N ARG A 113 2.599 -9.373 9.387 1.00 25.00 N ATOM 1535 CA ARG A 113 3.012 -8.196 8.624 1.00 25.00 C ATOM 1536 C ARG A 113 3.721 -8.663 7.371 1.00 25.00 C ATOM 1537 O ARG A 113 4.351 -9.719 7.370 1.00 25.00 O ATOM 1538 CB ARG A 113 3.928 -7.302 9.455 1.00 25.00 C ATOM 1539 CG ARG A 113 3.353 -6.964 10.819 1.00 25.00 C ATOM 1540 CD ARG A 113 4.222 -5.984 11.558 1.00 25.00 C ATOM 1541 NE ARG A 113 3.712 -5.777 12.923 1.00 25.00 N ATOM 1542 CZ ARG A 113 4.087 -4.803 13.742 1.00 25.00 C ATOM 1543 NH1 ARG A 113 4.980 -3.906 13.401 1.00 25.00 N ATOM 1544 NH2 ARG A 113 3.556 -4.736 14.931 1.00 25.00 N ATOM 0 HA ARG A 113 2.134 -7.607 8.358 1.00 25.00 H new ATOM 0 HB2 ARG A 113 4.890 -7.799 9.586 1.00 25.00 H new ATOM 0 HB3 ARG A 113 4.118 -6.378 8.908 1.00 25.00 H new ATOM 0 HG2 ARG A 113 2.353 -6.547 10.700 1.00 25.00 H new ATOM 0 HG3 ARG A 113 3.250 -7.876 11.407 1.00 25.00 H new ATOM 0 HD2 ARG A 113 5.247 -6.354 11.598 1.00 25.00 H new ATOM 0 HD3 ARG A 113 4.246 -5.034 11.024 1.00 25.00 H new ATOM 0 HE ARG A 113 3.014 -6.436 13.267 1.00 25.00 H new ATOM 0 HH11 ARG A 113 5.412 -3.942 12.478 1.00 25.00 H new ATOM 0 HH12 ARG A 113 5.242 -3.172 14.059 1.00 25.00 H new ATOM 0 HH21 ARG A 113 2.863 -5.426 15.220 1.00 25.00 H new ATOM 0 HH22 ARG A 113 3.834 -3.993 15.572 1.00 25.00 H new ATOM 1558 N THR A 114 3.601 -7.880 6.317 1.00 25.00 N ATOM 1559 CA THR A 114 4.137 -8.225 5.005 1.00 25.00 C ATOM 1560 C THR A 114 4.854 -7.013 4.447 1.00 25.00 C ATOM 1561 O THR A 114 4.389 -5.892 4.621 1.00 25.00 O ATOM 1562 CB THR A 114 2.980 -8.603 4.044 1.00 25.00 C ATOM 1563 OG1 THR A 114 2.163 -9.601 4.655 1.00 25.00 O ATOM 1564 CG2 THR A 114 3.484 -9.148 2.724 1.00 25.00 C ATOM 0 H THR A 114 3.126 -6.978 6.342 1.00 25.00 H new ATOM 0 HA THR A 114 4.819 -9.070 5.099 1.00 25.00 H new ATOM 0 HB THR A 114 2.414 -7.692 3.847 1.00 25.00 H new ATOM 0 HG1 THR A 114 1.355 -9.736 4.117 1.00 25.00 H new ATOM 0 HG21 THR A 114 2.636 -9.398 2.086 1.00 25.00 H new ATOM 0 HG22 THR A 114 4.100 -8.396 2.231 1.00 25.00 H new ATOM 0 HG23 THR A 114 4.079 -10.043 2.904 1.00 25.00 H new ATOM 1572 N TYR A 115 5.971 -7.222 3.771 1.00 25.00 N ATOM 1573 CA TYR A 115 6.722 -6.123 3.175 1.00 25.00 C ATOM 1574 C TYR A 115 7.027 -6.470 1.725 1.00 25.00 C ATOM 1575 O TYR A 115 7.273 -7.633 1.406 1.00 25.00 O ATOM 1576 CB TYR A 115 8.015 -5.890 3.959 1.00 25.00 C ATOM 1577 CG TYR A 115 7.833 -6.071 5.455 1.00 25.00 C ATOM 1578 CD1 TYR A 115 7.125 -5.119 6.221 1.00 25.00 C ATOM 1579 CD2 TYR A 115 8.349 -7.212 6.113 1.00 25.00 C ATOM 1580 CE1 TYR A 115 6.933 -5.304 7.615 1.00 25.00 C ATOM 1581 CE2 TYR A 115 8.161 -7.395 7.510 1.00 25.00 C ATOM 1582 CZ TYR A 115 7.460 -6.438 8.244 1.00 25.00 C ATOM 1583 OH TYR A 115 7.280 -6.603 9.593 1.00 25.00 O ATOM 0 H TYR A 115 6.381 -8.144 3.619 1.00 25.00 H new ATOM 0 HA TYR A 115 6.135 -5.205 3.210 1.00 25.00 H new ATOM 0 HB2 TYR A 115 8.780 -6.581 3.604 1.00 25.00 H new ATOM 0 HB3 TYR A 115 8.379 -4.882 3.761 1.00 25.00 H new ATOM 0 HD1 TYR A 115 6.725 -4.239 5.740 1.00 25.00 H new ATOM 0 HD2 TYR A 115 8.893 -7.954 5.547 1.00 25.00 H new ATOM 0 HE1 TYR A 115 6.382 -4.573 8.188 1.00 25.00 H new ATOM 0 HE2 TYR A 115 8.559 -8.271 8.001 1.00 25.00 H new ATOM 0 HH TYR A 115 7.703 -7.439 9.880 1.00 25.00 H new ATOM 1593 N LEU A 116 6.984 -5.473 0.851 1.00 25.00 N ATOM 1594 CA LEU A 116 7.199 -5.672 -0.587 1.00 25.00 C ATOM 1595 C LEU A 116 8.287 -4.734 -1.081 1.00 25.00 C ATOM 1596 O LEU A 116 8.360 -3.587 -0.641 1.00 25.00 O ATOM 1597 CB LEU A 116 5.909 -5.365 -1.352 1.00 25.00 C ATOM 1598 CG LEU A 116 4.783 -6.403 -1.252 1.00 25.00 C ATOM 1599 CD1 LEU A 116 3.452 -5.768 -1.651 1.00 25.00 C ATOM 1600 CD2 LEU A 116 5.076 -7.594 -2.161 1.00 25.00 C ATOM 0 H LEU A 116 6.800 -4.504 1.112 1.00 25.00 H new ATOM 0 HA LEU A 116 7.495 -6.707 -0.755 1.00 25.00 H new ATOM 0 HB2 LEU A 116 5.523 -4.409 -0.998 1.00 25.00 H new ATOM 0 HB3 LEU A 116 6.160 -5.237 -2.405 1.00 25.00 H new ATOM 0 HG LEU A 116 4.722 -6.752 -0.221 1.00 25.00 H new ATOM 0 HD11 LEU A 116 2.658 -6.511 -1.577 1.00 25.00 H new ATOM 0 HD12 LEU A 116 3.232 -4.935 -0.984 1.00 25.00 H new ATOM 0 HD13 LEU A 116 3.515 -5.405 -2.677 1.00 25.00 H new ATOM 0 HD21 LEU A 116 4.269 -8.322 -2.079 1.00 25.00 H new ATOM 0 HD22 LEU A 116 5.154 -7.253 -3.193 1.00 25.00 H new ATOM 0 HD23 LEU A 116 6.015 -8.059 -1.860 1.00 25.00 H new ATOM 1612 N LYS A 117 9.115 -5.214 -1.999 1.00 25.00 N ATOM 1613 CA LYS A 117 10.211 -4.412 -2.560 1.00 25.00 C ATOM 1614 C LYS A 117 10.398 -4.700 -4.043 1.00 25.00 C ATOM 1615 O LYS A 117 10.374 -5.852 -4.437 1.00 25.00 O ATOM 1616 CB LYS A 117 11.501 -4.747 -1.809 1.00 25.00 C ATOM 1617 CG LYS A 117 12.722 -3.987 -2.300 1.00 25.00 C ATOM 1618 CD LYS A 117 13.760 -3.894 -1.208 1.00 25.00 C ATOM 1619 CE LYS A 117 14.910 -3.012 -1.644 1.00 25.00 C ATOM 1620 NZ LYS A 117 15.556 -2.380 -0.453 1.00 25.00 N ATOM 0 H LYS A 117 9.053 -6.159 -2.377 1.00 25.00 H new ATOM 0 HA LYS A 117 9.967 -3.356 -2.448 1.00 25.00 H new ATOM 0 HB2 LYS A 117 11.357 -4.535 -0.749 1.00 25.00 H new ATOM 0 HB3 LYS A 117 11.693 -5.816 -1.897 1.00 25.00 H new ATOM 0 HG2 LYS A 117 13.145 -4.489 -3.170 1.00 25.00 H new ATOM 0 HG3 LYS A 117 12.431 -2.986 -2.620 1.00 25.00 H new ATOM 0 HD2 LYS A 117 13.308 -3.491 -0.302 1.00 25.00 H new ATOM 0 HD3 LYS A 117 14.130 -4.890 -0.964 1.00 25.00 H new ATOM 0 HE2 LYS A 117 15.643 -3.603 -2.194 1.00 25.00 H new ATOM 0 HE3 LYS A 117 14.549 -2.240 -2.323 1.00 25.00 H new ATOM 0 HZ1 LYS A 117 16.552 -2.173 -0.668 1.00 25.00 H new ATOM 0 HZ2 LYS A 117 15.061 -1.496 -0.218 1.00 25.00 H new ATOM 0 HZ3 LYS A 117 15.504 -3.031 0.356 1.00 25.00 H new ATOM 1634 N SER A 118 10.584 -3.655 -4.844 1.00 25.00 N ATOM 1635 CA SER A 118 10.793 -3.808 -6.294 1.00 25.00 C ATOM 1636 C SER A 118 12.185 -3.358 -6.772 1.00 25.00 C ATOM 1637 O SER A 118 12.696 -3.854 -7.772 1.00 25.00 O ATOM 1638 CB SER A 118 9.734 -3.001 -7.029 1.00 25.00 C ATOM 1639 OG SER A 118 9.817 -3.197 -8.424 1.00 25.00 O ATOM 0 H SER A 118 10.596 -2.688 -4.520 1.00 25.00 H new ATOM 0 HA SER A 118 10.717 -4.873 -6.513 1.00 25.00 H new ATOM 0 HB2 SER A 118 8.744 -3.291 -6.677 1.00 25.00 H new ATOM 0 HB3 SER A 118 9.857 -1.942 -6.800 1.00 25.00 H new ATOM 0 HG SER A 118 9.124 -2.668 -8.871 1.00 25.00 H new ATOM 1645 N TYR A 119 12.780 -2.411 -6.048 1.00 25.00 N ATOM 1646 CA TYR A 119 14.110 -1.851 -6.375 1.00 25.00 C ATOM 1647 C TYR A 119 14.220 -1.474 -7.859 1.00 25.00 C ATOM 1648 O TYR A 119 15.073 -1.955 -8.609 1.00 25.00 O ATOM 1649 CB TYR A 119 15.225 -2.798 -5.926 1.00 25.00 C ATOM 1650 CG TYR A 119 16.522 -2.081 -5.618 1.00 25.00 C ATOM 1651 CD1 TYR A 119 16.675 -1.356 -4.415 1.00 25.00 C ATOM 1652 CD2 TYR A 119 17.602 -2.114 -6.521 1.00 25.00 C ATOM 1653 CE1 TYR A 119 17.893 -0.690 -4.116 1.00 25.00 C ATOM 1654 CE2 TYR A 119 18.823 -1.450 -6.223 1.00 25.00 C ATOM 1655 CZ TYR A 119 18.955 -0.750 -5.021 1.00 25.00 C ATOM 1656 OH TYR A 119 20.133 -0.115 -4.721 1.00 25.00 O ATOM 0 H TYR A 119 12.360 -2.003 -5.213 1.00 25.00 H new ATOM 0 HA TYR A 119 14.232 -0.923 -5.817 1.00 25.00 H new ATOM 0 HB2 TYR A 119 14.897 -3.342 -5.040 1.00 25.00 H new ATOM 0 HB3 TYR A 119 15.402 -3.538 -6.707 1.00 25.00 H new ATOM 0 HD1 TYR A 119 15.855 -1.308 -3.714 1.00 25.00 H new ATOM 0 HD2 TYR A 119 17.501 -2.651 -7.453 1.00 25.00 H new ATOM 0 HE1 TYR A 119 17.998 -0.139 -3.193 1.00 25.00 H new ATOM 0 HE2 TYR A 119 19.645 -1.486 -6.923 1.00 25.00 H new ATOM 0 HH TYR A 119 20.773 -0.252 -5.450 1.00 25.00 H new ATOM 1758 N SER A 127 13.703 2.969 -5.318 1.00 25.00 N ATOM 1759 CA SER A 127 12.761 1.893 -5.050 1.00 25.00 C ATOM 1760 C SER A 127 11.379 2.298 -4.541 1.00 25.00 C ATOM 1761 O SER A 127 11.230 3.010 -3.535 1.00 25.00 O ATOM 1762 CB SER A 127 13.396 0.946 -4.032 1.00 25.00 C ATOM 1763 OG SER A 127 13.803 1.636 -2.862 1.00 25.00 O ATOM 0 HA SER A 127 12.573 1.434 -6.021 1.00 25.00 H new ATOM 0 HB2 SER A 127 12.683 0.166 -3.766 1.00 25.00 H new ATOM 0 HB3 SER A 127 14.257 0.451 -4.482 1.00 25.00 H new ATOM 0 HG SER A 127 13.692 1.052 -2.083 1.00 25.00 H new ATOM 1769 N PHE A 128 10.374 1.709 -5.167 1.00 25.00 N ATOM 1770 CA PHE A 128 9.027 1.711 -4.633 1.00 25.00 C ATOM 1771 C PHE A 128 8.968 0.475 -3.744 1.00 25.00 C ATOM 1772 O PHE A 128 9.402 -0.617 -4.143 1.00 25.00 O ATOM 1773 CB PHE A 128 7.991 1.623 -5.752 1.00 25.00 C ATOM 1774 CG PHE A 128 8.037 2.783 -6.713 1.00 25.00 C ATOM 1775 CD1 PHE A 128 7.752 4.090 -6.278 1.00 25.00 C ATOM 1776 CD2 PHE A 128 8.350 2.570 -8.067 1.00 25.00 C ATOM 1777 CE1 PHE A 128 7.783 5.179 -7.183 1.00 25.00 C ATOM 1778 CE2 PHE A 128 8.384 3.651 -8.980 1.00 25.00 C ATOM 1779 CZ PHE A 128 8.100 4.957 -8.537 1.00 25.00 C ATOM 0 H PHE A 128 10.470 1.218 -6.056 1.00 25.00 H new ATOM 0 HA PHE A 128 8.803 2.628 -4.088 1.00 25.00 H new ATOM 0 HB2 PHE A 128 8.146 0.697 -6.306 1.00 25.00 H new ATOM 0 HB3 PHE A 128 6.996 1.568 -5.310 1.00 25.00 H new ATOM 0 HD1 PHE A 128 7.506 4.265 -5.241 1.00 25.00 H new ATOM 0 HD2 PHE A 128 8.567 1.571 -8.414 1.00 25.00 H new ATOM 0 HE1 PHE A 128 7.564 6.178 -6.835 1.00 25.00 H new ATOM 0 HE2 PHE A 128 8.628 3.474 -10.017 1.00 25.00 H new ATOM 0 HZ PHE A 128 8.125 5.784 -9.232 1.00 25.00 H new ATOM 1789 N GLU A 129 8.511 0.654 -2.516 1.00 25.00 N ATOM 1790 CA GLU A 129 8.463 -0.431 -1.539 1.00 25.00 C ATOM 1791 C GLU A 129 7.209 -0.197 -0.706 1.00 25.00 C ATOM 1792 O GLU A 129 6.831 0.956 -0.488 1.00 25.00 O ATOM 1793 CB GLU A 129 9.715 -0.424 -0.643 1.00 25.00 C ATOM 1794 CG GLU A 129 11.049 -0.557 -1.403 1.00 25.00 C ATOM 1795 CD GLU A 129 12.280 -0.664 -0.495 1.00 25.00 C ATOM 1796 OE1 GLU A 129 12.183 -1.213 0.622 1.00 25.00 O ATOM 1797 OE2 GLU A 129 13.375 -0.238 -0.928 1.00 25.00 O ATOM 0 H GLU A 129 8.164 1.547 -2.166 1.00 25.00 H new ATOM 0 HA GLU A 129 8.438 -1.402 -2.035 1.00 25.00 H new ATOM 0 HB2 GLU A 129 9.730 0.503 -0.069 1.00 25.00 H new ATOM 0 HB3 GLU A 129 9.637 -1.242 0.074 1.00 25.00 H new ATOM 0 HG2 GLU A 129 11.004 -1.439 -2.042 1.00 25.00 H new ATOM 0 HG3 GLU A 129 11.169 0.305 -2.059 1.00 25.00 H new ATOM 1804 N LEU A 130 6.550 -1.266 -0.284 1.00 25.00 N ATOM 1805 CA LEU A 130 5.262 -1.174 0.422 1.00 25.00 C ATOM 1806 C LEU A 130 5.286 -2.023 1.686 1.00 25.00 C ATOM 1807 O LEU A 130 6.199 -2.836 1.874 1.00 25.00 O ATOM 1808 CB LEU A 130 4.119 -1.676 -0.476 1.00 25.00 C ATOM 1809 CG LEU A 130 3.919 -0.947 -1.812 1.00 25.00 C ATOM 1810 CD1 LEU A 130 4.517 -1.747 -2.980 1.00 25.00 C ATOM 1811 CD2 LEU A 130 2.432 -0.710 -2.059 1.00 25.00 C ATOM 0 H LEU A 130 6.883 -2.221 -0.416 1.00 25.00 H new ATOM 0 HA LEU A 130 5.099 -0.128 0.680 1.00 25.00 H new ATOM 0 HB2 LEU A 130 4.291 -2.731 -0.687 1.00 25.00 H new ATOM 0 HB3 LEU A 130 3.189 -1.611 0.089 1.00 25.00 H new ATOM 0 HG LEU A 130 4.437 0.010 -1.753 1.00 25.00 H new ATOM 0 HD11 LEU A 130 4.359 -1.204 -3.912 1.00 25.00 H new ATOM 0 HD12 LEU A 130 5.586 -1.885 -2.817 1.00 25.00 H new ATOM 0 HD13 LEU A 130 4.031 -2.721 -3.041 1.00 25.00 H new ATOM 0 HD21 LEU A 130 2.299 -0.192 -3.009 1.00 25.00 H new ATOM 0 HD22 LEU A 130 1.911 -1.667 -2.091 1.00 25.00 H new ATOM 0 HD23 LEU A 130 2.022 -0.101 -1.253 1.00 25.00 H new ATOM 1823 N ALA A 131 4.270 -1.867 2.523 1.00 25.00 N ATOM 1824 CA ALA A 131 4.118 -2.681 3.721 1.00 25.00 C ATOM 1825 C ALA A 131 2.627 -2.901 4.016 1.00 25.00 C ATOM 1826 O ALA A 131 1.783 -2.091 3.641 1.00 25.00 O ATOM 1827 CB ALA A 131 4.801 -1.997 4.907 1.00 25.00 C ATOM 0 H ALA A 131 3.531 -1.176 2.392 1.00 25.00 H new ATOM 0 HA ALA A 131 4.590 -3.650 3.559 1.00 25.00 H new ATOM 0 HB1 ALA A 131 4.683 -2.612 5.799 1.00 25.00 H new ATOM 0 HB2 ALA A 131 5.862 -1.870 4.692 1.00 25.00 H new ATOM 0 HB3 ALA A 131 4.345 -1.021 5.076 1.00 25.00 H new ATOM 1833 N LEU A 132 2.325 -3.994 4.697 1.00 25.00 N ATOM 1834 CA LEU A 132 0.966 -4.334 5.107 1.00 25.00 C ATOM 1835 C LEU A 132 1.068 -4.821 6.544 1.00 25.00 C ATOM 1836 O LEU A 132 1.955 -5.614 6.847 1.00 25.00 O ATOM 1837 CB LEU A 132 0.406 -5.481 4.248 1.00 25.00 C ATOM 1838 CG LEU A 132 0.389 -5.344 2.715 1.00 25.00 C ATOM 1839 CD1 LEU A 132 -0.034 -6.669 2.082 1.00 25.00 C ATOM 1840 CD2 LEU A 132 -0.547 -4.257 2.254 1.00 25.00 C ATOM 0 H LEU A 132 3.022 -4.680 4.986 1.00 25.00 H new ATOM 0 HA LEU A 132 0.309 -3.471 4.997 1.00 25.00 H new ATOM 0 HB2 LEU A 132 0.977 -6.378 4.489 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -0.620 -5.660 4.571 1.00 25.00 H new ATOM 0 HG LEU A 132 1.398 -5.077 2.401 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -0.045 -6.567 0.997 1.00 25.00 H new ATOM 0 HD12 LEU A 132 0.672 -7.450 2.366 1.00 25.00 H new ATOM 0 HD13 LEU A 132 -1.031 -6.937 2.431 1.00 25.00 H new ATOM 0 HD21 LEU A 132 -0.526 -4.196 1.166 1.00 25.00 H new ATOM 0 HD22 LEU A 132 -1.560 -4.484 2.586 1.00 25.00 H new ATOM 0 HD23 LEU A 132 -0.233 -3.303 2.677 1.00 25.00 H new ATOM 1852 N ASP A 133 0.150 -4.409 7.400 1.00 25.00 N ATOM 1853 CA ASP A 133 0.093 -4.881 8.788 1.00 25.00 C ATOM 1854 C ASP A 133 -1.324 -5.412 9.015 1.00 25.00 C ATOM 1855 O ASP A 133 -2.273 -4.919 8.413 1.00 25.00 O ATOM 1856 CB ASP A 133 0.382 -3.737 9.774 1.00 25.00 C ATOM 1857 CG ASP A 133 1.861 -3.630 10.156 1.00 25.00 C ATOM 1858 OD1 ASP A 133 2.745 -3.781 9.288 1.00 25.00 O ATOM 1859 OD2 ASP A 133 2.135 -3.400 11.356 1.00 25.00 O ATOM 0 H ASP A 133 -0.580 -3.738 7.161 1.00 25.00 H new ATOM 0 HA ASP A 133 0.844 -5.653 8.956 1.00 25.00 H new ATOM 0 HB2 ASP A 133 0.058 -2.795 9.332 1.00 25.00 H new ATOM 0 HB3 ASP A 133 -0.210 -3.886 10.677 1.00 25.00 H new ATOM 1864 N GLY A 134 -1.476 -6.420 9.862 1.00 25.00 N ATOM 1865 CA GLY A 134 -2.796 -6.996 10.093 1.00 25.00 C ATOM 1866 C GLY A 134 -3.202 -7.874 8.925 1.00 25.00 C ATOM 1867 O GLY A 134 -4.280 -7.729 8.355 1.00 25.00 O ATOM 0 H GLY A 134 -0.719 -6.850 10.392 1.00 25.00 H new ATOM 0 HA2 GLY A 134 -2.788 -7.583 11.012 1.00 25.00 H new ATOM 0 HA3 GLY A 134 -3.528 -6.200 10.230 1.00 25.00 H new ATOM 1871 N ASN A 135 -2.293 -8.750 8.522 1.00 25.00 N ATOM 1872 CA ASN A 135 -2.504 -9.599 7.352 1.00 25.00 C ATOM 1873 C ASN A 135 -3.234 -10.890 7.681 1.00 25.00 C ATOM 1874 O ASN A 135 -2.753 -11.706 8.469 1.00 25.00 O ATOM 1875 CB ASN A 135 -1.158 -9.983 6.727 1.00 25.00 C ATOM 1876 CG ASN A 135 -0.509 -8.842 6.010 1.00 25.00 C ATOM 1877 OD1 ASN A 135 -0.600 -8.726 4.799 1.00 25.00 O ATOM 1878 ND2 ASN A 135 0.162 -8.008 6.738 1.00 25.00 N ATOM 0 H ASN A 135 -1.397 -8.894 8.989 1.00 25.00 H new ATOM 0 HA ASN A 135 -3.115 -9.014 6.665 1.00 25.00 H new ATOM 0 HB2 ASN A 135 -0.489 -10.344 7.508 1.00 25.00 H new ATOM 0 HB3 ASN A 135 -1.308 -10.807 6.030 1.00 25.00 H new ATOM 0 HD21 ASN A 135 0.639 -7.219 6.302 1.00 25.00 H new ATOM 0 HD22 ASN A 135 0.214 -8.140 7.748 1.00 25.00 H new ATOM 1885 N HIS A 136 -4.311 -11.144 6.955 1.00 25.00 N ATOM 1886 CA HIS A 136 -4.953 -12.456 6.957 1.00 25.00 C ATOM 1887 C HIS A 136 -4.183 -13.340 5.987 1.00 25.00 C ATOM 1888 O HIS A 136 -4.670 -13.692 4.921 1.00 25.00 O ATOM 1889 CB HIS A 136 -6.424 -12.346 6.562 1.00 25.00 C ATOM 1890 CG HIS A 136 -7.246 -11.540 7.518 1.00 25.00 C ATOM 1891 ND1 HIS A 136 -7.518 -10.200 7.382 1.00 25.00 N ATOM 1892 CD2 HIS A 136 -7.887 -11.914 8.659 1.00 25.00 C ATOM 1893 CE1 HIS A 136 -8.288 -9.827 8.400 1.00 25.00 C ATOM 1894 NE2 HIS A 136 -8.539 -10.833 9.215 1.00 25.00 N ATOM 0 H HIS A 136 -4.764 -10.457 6.352 1.00 25.00 H new ATOM 0 HA HIS A 136 -4.933 -12.890 7.957 1.00 25.00 H new ATOM 0 HB2 HIS A 136 -6.492 -11.898 5.571 1.00 25.00 H new ATOM 0 HB3 HIS A 136 -6.847 -13.348 6.488 1.00 25.00 H new ATOM 0 HD1 HIS A 136 -7.187 -9.596 6.630 1.00 25.00 H new ATOM 0 HD2 HIS A 136 -7.885 -12.913 9.070 1.00 25.00 H new ATOM 0 HE1 HIS A 136 -8.662 -8.824 8.542 1.00 25.00 H new ATOM 1902 N ALA A 137 -2.961 -13.685 6.373 1.00 25.00 N ATOM 1903 CA ALA A 137 -2.089 -14.528 5.560 1.00 25.00 C ATOM 1904 C ALA A 137 -2.734 -15.902 5.355 1.00 25.00 C ATOM 1905 O ALA A 137 -2.528 -16.550 4.339 1.00 25.00 O ATOM 1906 CB ALA A 137 -0.718 -14.669 6.240 1.00 25.00 C ATOM 0 H ALA A 137 -2.546 -13.390 7.257 1.00 25.00 H new ATOM 0 HA ALA A 137 -1.947 -14.064 4.584 1.00 25.00 H new ATOM 0 HB1 ALA A 137 -0.072 -15.299 5.629 1.00 25.00 H new ATOM 0 HB2 ALA A 137 -0.264 -13.684 6.352 1.00 25.00 H new ATOM 0 HB3 ALA A 137 -0.844 -15.124 7.222 1.00 25.00 H new ATOM 1912 N ALA A 138 -3.560 -16.303 6.311 1.00 25.00 N ATOM 1913 CA ALA A 138 -4.301 -17.556 6.222 1.00 25.00 C ATOM 1914 C ALA A 138 -5.242 -17.565 5.009 1.00 25.00 C ATOM 1915 O ALA A 138 -5.578 -18.625 4.495 1.00 25.00 O ATOM 1916 CB ALA A 138 -5.099 -17.777 7.516 1.00 25.00 C ATOM 0 H ALA A 138 -3.736 -15.774 7.165 1.00 25.00 H new ATOM 0 HA ALA A 138 -3.586 -18.368 6.092 1.00 25.00 H new ATOM 0 HB1 ALA A 138 -5.652 -18.714 7.447 1.00 25.00 H new ATOM 0 HB2 ALA A 138 -4.414 -17.821 8.363 1.00 25.00 H new ATOM 0 HB3 ALA A 138 -5.798 -16.953 7.658 1.00 25.00 H new ATOM 1922 N THR A 139 -5.660 -16.387 4.558 1.00 25.00 N ATOM 1923 CA THR A 139 -6.552 -16.279 3.396 1.00 25.00 C ATOM 1924 C THR A 139 -5.951 -15.397 2.297 1.00 25.00 C ATOM 1925 O THR A 139 -6.685 -14.717 1.578 1.00 25.00 O ATOM 1926 CB THR A 139 -7.924 -15.684 3.803 1.00 25.00 C ATOM 1927 OG1 THR A 139 -7.734 -14.377 4.344 1.00 25.00 O ATOM 1928 CG2 THR A 139 -8.605 -16.540 4.862 1.00 25.00 C ATOM 0 H THR A 139 -5.400 -15.493 4.974 1.00 25.00 H new ATOM 0 HA THR A 139 -6.683 -17.291 3.012 1.00 25.00 H new ATOM 0 HB THR A 139 -8.551 -15.651 2.912 1.00 25.00 H new ATOM 0 HG1 THR A 139 -6.775 -14.200 4.442 1.00 25.00 H new ATOM 0 HG21 THR A 139 -9.565 -16.096 5.126 1.00 25.00 H new ATOM 0 HG22 THR A 139 -8.765 -17.544 4.470 1.00 25.00 H new ATOM 0 HG23 THR A 139 -7.973 -16.593 5.749 1.00 25.00 H new ATOM 1936 N LEU A 140 -4.624 -15.361 2.196 1.00 25.00 N ATOM 1937 CA LEU A 140 -3.960 -14.487 1.220 1.00 25.00 C ATOM 1938 C LEU A 140 -4.348 -14.831 -0.220 1.00 25.00 C ATOM 1939 O LEU A 140 -4.752 -15.952 -0.524 1.00 25.00 O ATOM 1940 CB LEU A 140 -2.430 -14.516 1.401 1.00 25.00 C ATOM 1941 CG LEU A 140 -1.636 -15.783 1.017 1.00 25.00 C ATOM 1942 CD1 LEU A 140 -1.287 -15.853 -0.482 1.00 25.00 C ATOM 1943 CD2 LEU A 140 -0.328 -15.806 1.818 1.00 25.00 C ATOM 0 H LEU A 140 -3.990 -15.918 2.769 1.00 25.00 H new ATOM 0 HA LEU A 140 -4.308 -13.472 1.412 1.00 25.00 H new ATOM 0 HB2 LEU A 140 -2.019 -13.687 0.825 1.00 25.00 H new ATOM 0 HB3 LEU A 140 -2.223 -14.308 2.451 1.00 25.00 H new ATOM 0 HG LEU A 140 -2.272 -16.639 1.244 1.00 25.00 H new ATOM 0 HD11 LEU A 140 -0.729 -16.768 -0.683 1.00 25.00 H new ATOM 0 HD12 LEU A 140 -2.205 -15.851 -1.070 1.00 25.00 H new ATOM 0 HD13 LEU A 140 -0.679 -14.990 -0.755 1.00 25.00 H new ATOM 0 HD21 LEU A 140 0.243 -16.697 1.556 1.00 25.00 H new ATOM 0 HD22 LEU A 140 0.258 -14.917 1.584 1.00 25.00 H new ATOM 0 HD23 LEU A 140 -0.554 -15.820 2.884 1.00 25.00 H new ATOM 1955 N SER A 141 -4.210 -13.854 -1.105 1.00 25.00 N ATOM 1956 CA SER A 141 -4.563 -14.020 -2.509 1.00 25.00 C ATOM 1957 C SER A 141 -3.663 -13.138 -3.367 1.00 25.00 C ATOM 1958 O SER A 141 -3.158 -12.120 -2.908 1.00 25.00 O ATOM 1959 CB SER A 141 -6.029 -13.624 -2.720 1.00 25.00 C ATOM 1960 OG SER A 141 -6.414 -13.738 -4.085 1.00 25.00 O ATOM 0 H SER A 141 -3.852 -12.928 -0.872 1.00 25.00 H new ATOM 0 HA SER A 141 -4.427 -15.062 -2.797 1.00 25.00 H new ATOM 0 HB2 SER A 141 -6.669 -14.259 -2.107 1.00 25.00 H new ATOM 0 HB3 SER A 141 -6.181 -12.598 -2.384 1.00 25.00 H new ATOM 0 HG SER A 141 -7.354 -13.480 -4.182 1.00 25.00 H new ATOM 1966 N ALA A 142 -3.484 -13.518 -4.625 1.00 25.00 N ATOM 1967 CA ALA A 142 -2.725 -12.706 -5.573 1.00 25.00 C ATOM 1968 C ALA A 142 -3.692 -11.836 -6.389 1.00 25.00 C ATOM 1969 O ALA A 142 -3.287 -10.936 -7.118 1.00 25.00 O ATOM 1970 CB ALA A 142 -1.904 -13.615 -6.499 1.00 25.00 C ATOM 0 H ALA A 142 -3.854 -14.385 -5.015 1.00 25.00 H new ATOM 0 HA ALA A 142 -2.038 -12.056 -5.030 1.00 25.00 H new ATOM 0 HB1 ALA A 142 -1.340 -13.003 -7.203 1.00 25.00 H new ATOM 0 HB2 ALA A 142 -1.213 -14.212 -5.904 1.00 25.00 H new ATOM 0 HB3 ALA A 142 -2.575 -14.276 -7.048 1.00 25.00 H new ATOM 1976 N GLY A 143 -4.979 -12.125 -6.263 1.00 25.00 N ATOM 1977 CA GLY A 143 -5.988 -11.435 -7.055 1.00 25.00 C ATOM 1978 C GLY A 143 -6.312 -10.036 -6.570 1.00 25.00 C ATOM 1979 O GLY A 143 -6.881 -9.233 -7.312 1.00 25.00 O ATOM 0 H GLY A 143 -5.348 -12.829 -5.624 1.00 25.00 H new ATOM 0 HA2 GLY A 143 -5.646 -11.379 -8.088 1.00 25.00 H new ATOM 0 HA3 GLY A 143 -6.902 -12.028 -7.054 1.00 25.00 H new ATOM 1983 N ASN A 144 -5.945 -9.723 -5.335 1.00 25.00 N ATOM 1984 CA ASN A 144 -6.234 -8.408 -4.763 1.00 25.00 C ATOM 1985 C ASN A 144 -5.249 -7.338 -5.249 1.00 25.00 C ATOM 1986 O ASN A 144 -5.380 -6.171 -4.906 1.00 25.00 O ATOM 1987 CB ASN A 144 -6.245 -8.481 -3.227 1.00 25.00 C ATOM 1988 CG ASN A 144 -5.057 -9.209 -2.660 1.00 25.00 C ATOM 1989 OD1 ASN A 144 -3.882 -8.697 -2.886 1.00 25.00 O flip ATOM 1990 ND2 ASN A 144 -5.202 -10.239 -2.044 1.00 25.00 N flip ATOM 0 H ASN A 144 -5.448 -10.357 -4.709 1.00 25.00 H new ATOM 0 HA ASN A 144 -7.224 -8.112 -5.109 1.00 25.00 H new ATOM 0 HB2 ASN A 144 -6.270 -7.469 -2.822 1.00 25.00 H new ATOM 0 HB3 ASN A 144 -7.158 -8.979 -2.900 1.00 25.00 H new ATOM 0 HD21 ASN A 144 -6.138 -10.611 -1.886 1.00 25.00 H new ATOM 0 HD22 ASN A 144 -4.388 -10.736 -1.682 1.00 25.00 H new ATOM 1997 N ILE A 145 -4.272 -7.727 -6.052 1.00 25.00 N ATOM 1998 CA ILE A 145 -3.303 -6.775 -6.598 1.00 25.00 C ATOM 1999 C ILE A 145 -3.892 -6.262 -7.917 1.00 25.00 C ATOM 2000 O ILE A 145 -4.669 -6.968 -8.558 1.00 25.00 O ATOM 2001 CB ILE A 145 -1.900 -7.441 -6.843 1.00 25.00 C ATOM 2002 CG1 ILE A 145 -1.497 -8.324 -5.635 1.00 25.00 C ATOM 2003 CG2 ILE A 145 -0.809 -6.343 -7.066 1.00 25.00 C ATOM 2004 CD1 ILE A 145 -0.241 -9.186 -5.865 1.00 25.00 C ATOM 0 H ILE A 145 -4.124 -8.693 -6.343 1.00 25.00 H new ATOM 0 HA ILE A 145 -3.134 -5.963 -5.891 1.00 25.00 H new ATOM 0 HB ILE A 145 -1.973 -8.065 -7.733 1.00 25.00 H new ATOM 0 HG12 ILE A 145 -1.328 -7.681 -4.771 1.00 25.00 H new ATOM 0 HG13 ILE A 145 -2.331 -8.979 -5.386 1.00 25.00 H new ATOM 0 HG21 ILE A 145 0.157 -6.819 -7.234 1.00 25.00 H new ATOM 0 HG22 ILE A 145 -1.072 -5.739 -7.935 1.00 25.00 H new ATOM 0 HG23 ILE A 145 -0.750 -5.704 -6.185 1.00 25.00 H new ATOM 0 HD11 ILE A 145 -0.032 -9.771 -4.969 1.00 25.00 H new ATOM 0 HD12 ILE A 145 -0.410 -9.858 -6.706 1.00 25.00 H new ATOM 0 HD13 ILE A 145 0.609 -8.539 -6.082 1.00 25.00 H new ATOM 2016 N VAL A 146 -3.532 -5.045 -8.313 1.00 25.00 N ATOM 2017 CA VAL A 146 -4.063 -4.393 -9.526 1.00 25.00 C ATOM 2018 C VAL A 146 -4.004 -5.248 -10.803 1.00 25.00 C ATOM 2019 O VAL A 146 -4.846 -5.106 -11.682 1.00 25.00 O ATOM 2020 CB VAL A 146 -3.317 -3.023 -9.765 1.00 25.00 C ATOM 2021 CG1 VAL A 146 -1.878 -3.228 -10.292 1.00 25.00 C ATOM 2022 CG2 VAL A 146 -4.100 -2.116 -10.716 1.00 25.00 C ATOM 0 H VAL A 146 -2.859 -4.472 -7.804 1.00 25.00 H new ATOM 0 HA VAL A 146 -5.124 -4.235 -9.331 1.00 25.00 H new ATOM 0 HB VAL A 146 -3.252 -2.534 -8.793 1.00 25.00 H new ATOM 0 HG11 VAL A 146 -1.404 -2.258 -10.442 1.00 25.00 H new ATOM 0 HG12 VAL A 146 -1.304 -3.805 -9.567 1.00 25.00 H new ATOM 0 HG13 VAL A 146 -1.911 -3.766 -11.239 1.00 25.00 H new ATOM 0 HG21 VAL A 146 -3.557 -1.182 -10.858 1.00 25.00 H new ATOM 0 HG22 VAL A 146 -4.221 -2.615 -11.678 1.00 25.00 H new ATOM 0 HG23 VAL A 146 -5.081 -1.904 -10.291 1.00 25.00 H new ATOM 2032 N PHE A 147 -3.035 -6.149 -10.892 1.00 25.00 N ATOM 2033 CA PHE A 147 -2.852 -6.963 -12.090 1.00 25.00 C ATOM 2034 C PHE A 147 -3.997 -7.945 -12.327 1.00 25.00 C ATOM 2035 O PHE A 147 -4.312 -8.256 -13.474 1.00 25.00 O ATOM 2036 CB PHE A 147 -1.533 -7.728 -11.981 1.00 25.00 C ATOM 2037 CG PHE A 147 -0.358 -6.843 -11.661 1.00 25.00 C ATOM 2038 CD1 PHE A 147 0.139 -5.940 -12.619 1.00 25.00 C ATOM 2039 CD2 PHE A 147 0.254 -6.899 -10.394 1.00 25.00 C ATOM 2040 CE1 PHE A 147 1.233 -5.089 -12.316 1.00 25.00 C ATOM 2041 CE2 PHE A 147 1.344 -6.048 -10.076 1.00 25.00 C ATOM 2042 CZ PHE A 147 1.831 -5.142 -11.041 1.00 25.00 C ATOM 0 H PHE A 147 -2.362 -6.336 -10.149 1.00 25.00 H new ATOM 0 HA PHE A 147 -2.838 -6.285 -12.943 1.00 25.00 H new ATOM 0 HB2 PHE A 147 -1.626 -8.491 -11.208 1.00 25.00 H new ATOM 0 HB3 PHE A 147 -1.343 -8.247 -12.920 1.00 25.00 H new ATOM 0 HD1 PHE A 147 -0.318 -5.894 -13.597 1.00 25.00 H new ATOM 0 HD2 PHE A 147 -0.111 -7.598 -9.656 1.00 25.00 H new ATOM 0 HE1 PHE A 147 1.607 -4.402 -13.061 1.00 25.00 H new ATOM 0 HE2 PHE A 147 1.799 -6.094 -9.098 1.00 25.00 H new ATOM 0 HZ PHE A 147 2.659 -4.491 -10.804 1.00 25.00 H new