USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 615 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 817 LYS NZ :NH3+ -115:sc= -0.0953 (180deg=-2.05!) USER MOD Set 1.2: A 854 TYR OH : rot 180:sc= -0.223 USER MOD Set 2.1: A 835 ASN : amide:sc= -0.227 K(o=0.049,f=-0.53) USER MOD Set 2.2: A 838 LYS NZ :NH3+ 145:sc= 0.275 (180deg=-0.0295) USER MOD Set 3.1: A 819 GLN :FLIP amide:sc= -4.68! C(o=-12!,f=-5.9!) USER MOD Set 3.2: A 850 ASN : amide:sc= -1.26 X(o=-5.9,f=-6) USER MOD Set 4.1: A 805 THR OG1 : rot 180:sc= 0.123 USER MOD Set 4.2: A 806 HIS :FLIP no HD1:sc= -0.0327 F(o=-0.73,f=0.071) USER MOD Set 4.3: A 807 ASN : amide:sc= -0.0194 K(o=0.071,f=-0.77) USER MOD Set 5.1: A 799 ASN : amide:sc= -0.079 K(o=0.99,f=-3.9) USER MOD Set 5.2: A 809 ASN : amide:sc= 1.07 K(o=0.99,f=-2) USER MOD Single : A 778 SER OG : rot 36:sc= 0.321 USER MOD Single : A 782 THR OG1 : rot 180:sc= 0 USER MOD Single : A 787 LYS NZ :NH3+ -150:sc= 1.18 (180deg=-0.552) USER MOD Single : A 790 ASN :FLIP amide:sc= -0.0577 F(o=-1.5,f=-0.058) USER MOD Single : A 796 MET CE :methyl -158:sc= -0.138 (180deg=-0.743) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 803 SER OG : rot -47:sc= 0.217 USER MOD Single : A 804 ASN :FLIP amide:sc= -0.142 F(o=-3,f=-0.14) USER MOD Single : A 808 ASN :FLIP amide:sc= -0.0429 F(o=-2,f=-0.043) USER MOD Single : A 811 SER OG : rot -15:sc= 0.708 USER MOD Single : A 814 THR OG1 : rot -65:sc= 1.25 USER MOD Single : A 815 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.23) USER MOD Single : A 818 TYR OH : rot 165:sc= -0.0121 USER MOD Single : A 830 SER OG : rot 116:sc= 1.3 USER MOD Single : A 840 MET CE :methyl -115:sc= -4.71! (180deg=-6.43!) USER MOD Single : A 844 ASN : amide:sc= 1.14 K(o=1.1,f=-0.11) USER MOD Single : A 845 ASN : amide:sc= -0.754 X(o=-0.75,f=-0.36) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 778 -8.451 -11.370 1.913 1.00 2.40 N ATOM 2 CA SER A 778 -7.199 -11.866 1.295 1.00 2.10 C ATOM 3 C SER A 778 -7.116 -11.449 -0.167 1.00 1.16 C ATOM 4 O SER A 778 -6.433 -12.086 -0.974 1.00 1.09 O ATOM 5 CB SER A 778 -7.188 -13.388 1.413 1.00 2.58 C ATOM 6 OG SER A 778 -7.542 -13.801 2.723 1.00 3.17 O ATOM 0 HA SER A 778 -6.337 -11.439 1.808 1.00 2.10 H new ATOM 0 HB2 SER A 778 -7.884 -13.817 0.692 1.00 2.58 H new ATOM 0 HB3 SER A 778 -6.197 -13.768 1.164 1.00 2.58 H new ATOM 0 HG SER A 778 -8.223 -13.196 3.084 1.00 3.17 H new ATOM 14 N GLU A 779 -7.754 -10.336 -0.485 1.00 0.78 N ATOM 15 CA GLU A 779 -7.690 -9.782 -1.817 1.00 0.85 C ATOM 16 C GLU A 779 -6.342 -9.116 -2.033 1.00 0.75 C ATOM 17 O GLU A 779 -5.887 -8.321 -1.208 1.00 1.17 O ATOM 18 CB GLU A 779 -8.834 -8.785 -2.049 1.00 1.60 C ATOM 19 CG GLU A 779 -8.939 -7.681 -1.003 1.00 1.95 C ATOM 20 CD GLU A 779 -9.776 -8.068 0.203 1.00 2.62 C ATOM 21 OE1 GLU A 779 -9.334 -8.921 1.010 1.00 2.92 O ATOM 22 OE2 GLU A 779 -10.887 -7.518 0.344 1.00 3.25 O ATOM 0 H GLU A 779 -8.324 -9.799 0.168 1.00 0.78 H new ATOM 0 HA GLU A 779 -7.802 -10.591 -2.539 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -8.705 -8.327 -3.030 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -9.776 -9.333 -2.075 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -7.937 -7.411 -0.669 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -9.371 -6.793 -1.465 1.00 1.95 H new ATOM 29 N ILE A 780 -5.683 -9.484 -3.115 1.00 0.62 N ATOM 30 CA ILE A 780 -4.392 -8.919 -3.439 1.00 0.43 C ATOM 31 C ILE A 780 -4.569 -7.673 -4.296 1.00 0.37 C ATOM 32 O ILE A 780 -5.447 -7.611 -5.160 1.00 0.49 O ATOM 33 CB ILE A 780 -3.473 -9.944 -4.151 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.103 -9.330 -4.470 1.00 0.75 C ATOM 35 CG2 ILE A 780 -4.128 -10.471 -5.421 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.284 -8.984 -3.243 1.00 0.51 C ATOM 0 H ILE A 780 -6.024 -10.174 -3.785 1.00 0.62 H new ATOM 0 HA ILE A 780 -3.904 -8.645 -2.503 1.00 0.43 H new ATOM 0 HB ILE A 780 -3.320 -10.781 -3.470 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -1.538 -10.028 -5.087 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -2.250 -8.427 -5.063 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -3.463 -11.188 -5.902 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -5.069 -10.960 -5.169 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -4.321 -9.642 -6.102 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.330 -8.555 -3.551 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -1.827 -8.261 -2.635 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.104 -9.887 -2.659 1.00 0.51 H new ATOM 48 N PHE A 781 -3.800 -6.655 -3.976 1.00 0.28 N ATOM 49 CA PHE A 781 -3.880 -5.376 -4.651 1.00 0.26 C ATOM 50 C PHE A 781 -2.491 -4.968 -5.110 1.00 0.22 C ATOM 51 O PHE A 781 -1.502 -5.314 -4.473 1.00 0.21 O ATOM 52 CB PHE A 781 -4.484 -4.323 -3.714 1.00 0.29 C ATOM 53 CG PHE A 781 -4.668 -2.975 -4.351 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.217 -2.864 -5.617 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.306 -1.818 -3.680 1.00 0.37 C ATOM 56 CE1 PHE A 781 -5.402 -1.630 -6.203 1.00 0.50 C ATOM 57 CE2 PHE A 781 -4.491 -0.581 -4.260 1.00 0.44 C ATOM 58 CZ PHE A 781 -4.976 -0.485 -5.535 1.00 0.52 C ATOM 0 H PHE A 781 -3.098 -6.691 -3.237 1.00 0.28 H new ATOM 0 HA PHE A 781 -4.528 -5.457 -5.523 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.450 -4.680 -3.357 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -3.841 -4.216 -2.841 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -5.504 -3.757 -6.153 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -3.874 -1.886 -2.692 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -5.873 -1.552 -7.172 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.252 0.315 -3.706 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.029 0.477 -6.023 1.00 0.52 H new ATOM 68 N THR A 782 -2.407 -4.300 -6.246 1.00 0.23 N ATOM 69 CA THR A 782 -1.121 -3.909 -6.796 1.00 0.23 C ATOM 70 C THR A 782 -1.120 -2.420 -7.082 1.00 0.23 C ATOM 71 O THR A 782 -2.138 -1.858 -7.487 1.00 0.25 O ATOM 72 CB THR A 782 -0.786 -4.691 -8.084 1.00 0.29 C ATOM 73 OG1 THR A 782 -1.885 -4.635 -9.006 1.00 1.39 O ATOM 74 CG2 THR A 782 -0.456 -6.142 -7.772 1.00 1.34 C ATOM 0 H THR A 782 -3.212 -4.017 -6.805 1.00 0.23 H new ATOM 0 HA THR A 782 -0.355 -4.145 -6.057 1.00 0.23 H new ATOM 0 HB THR A 782 0.088 -4.224 -8.538 1.00 0.29 H new ATOM 0 HG1 THR A 782 -1.657 -5.134 -9.818 1.00 1.39 H new ATOM 0 HG21 THR A 782 -0.224 -6.669 -8.697 1.00 1.34 H new ATOM 0 HG22 THR A 782 0.405 -6.184 -7.105 1.00 1.34 H new ATOM 0 HG23 THR A 782 -1.312 -6.614 -7.290 1.00 1.34 H new ATOM 82 N LEU A 783 -0.066 -1.766 -6.633 1.00 0.22 N ATOM 83 CA LEU A 783 -0.010 -0.320 -6.615 1.00 0.21 C ATOM 84 C LEU A 783 1.430 0.141 -6.788 1.00 0.21 C ATOM 85 O LEU A 783 2.362 -0.569 -6.416 1.00 0.23 O ATOM 86 CB LEU A 783 -0.595 0.204 -5.298 1.00 0.26 C ATOM 87 CG LEU A 783 -0.821 1.717 -5.222 1.00 0.35 C ATOM 88 CD1 LEU A 783 -1.739 2.180 -6.344 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.412 2.090 -3.871 1.00 0.61 C ATOM 0 H LEU A 783 0.772 -2.222 -6.272 1.00 0.22 H new ATOM 0 HA LEU A 783 -0.602 0.079 -7.439 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.548 -0.296 -5.122 1.00 0.26 H new ATOM 0 HB3 LEU A 783 0.072 -0.086 -4.486 1.00 0.26 H new ATOM 0 HG LEU A 783 0.141 2.216 -5.337 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -1.887 3.258 -6.272 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -1.287 1.939 -7.306 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -2.701 1.675 -6.258 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -1.569 3.168 -3.827 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.365 1.579 -3.737 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -0.726 1.791 -3.079 1.00 0.61 H new ATOM 101 N LEU A 784 1.620 1.275 -7.433 1.00 0.20 N ATOM 102 CA LEU A 784 2.958 1.764 -7.707 1.00 0.22 C ATOM 103 C LEU A 784 3.082 3.185 -7.177 1.00 0.21 C ATOM 104 O LEU A 784 2.258 4.045 -7.494 1.00 0.23 O ATOM 105 CB LEU A 784 3.229 1.733 -9.213 1.00 0.29 C ATOM 106 CG LEU A 784 4.688 1.522 -9.612 1.00 0.91 C ATOM 107 CD1 LEU A 784 5.114 0.091 -9.320 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.891 1.849 -11.081 1.00 1.45 C ATOM 0 H LEU A 784 0.869 1.873 -7.776 1.00 0.20 H new ATOM 0 HA LEU A 784 3.692 1.127 -7.213 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.630 0.938 -9.656 1.00 0.29 H new ATOM 0 HB3 LEU A 784 2.884 2.672 -9.647 1.00 0.29 H new ATOM 0 HG LEU A 784 5.309 2.196 -9.022 1.00 0.91 H new ATOM 0 HD11 LEU A 784 6.156 -0.045 -9.609 1.00 1.53 H new ATOM 0 HD12 LEU A 784 5.004 -0.111 -8.255 1.00 1.53 H new ATOM 0 HD13 LEU A 784 4.487 -0.598 -9.886 1.00 1.53 H new ATOM 0 HD21 LEU A 784 5.936 1.693 -11.347 1.00 1.45 H new ATOM 0 HD22 LEU A 784 4.261 1.200 -11.689 1.00 1.45 H new ATOM 0 HD23 LEU A 784 4.622 2.889 -11.263 1.00 1.45 H new ATOM 120 N VAL A 785 3.970 3.358 -6.208 1.00 0.22 N ATOM 121 CA VAL A 785 4.051 4.606 -5.462 1.00 0.25 C ATOM 122 C VAL A 785 4.533 5.759 -6.344 1.00 0.34 C ATOM 123 O VAL A 785 5.529 5.642 -7.059 1.00 0.79 O ATOM 124 CB VAL A 785 4.945 4.450 -4.210 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.418 3.325 -3.339 1.00 0.95 C ATOM 126 CG2 VAL A 785 6.392 4.184 -4.577 1.00 1.10 C ATOM 0 H VAL A 785 4.645 2.649 -5.920 1.00 0.22 H new ATOM 0 HA VAL A 785 3.044 4.851 -5.126 1.00 0.25 H new ATOM 0 HB VAL A 785 4.912 5.390 -3.660 1.00 0.28 H new ATOM 0 HG11 VAL A 785 5.052 3.219 -2.458 1.00 0.95 H new ATOM 0 HG12 VAL A 785 3.399 3.553 -3.027 1.00 0.95 H new ATOM 0 HG13 VAL A 785 4.425 2.393 -3.905 1.00 0.95 H new ATOM 0 HG21 VAL A 785 6.985 4.081 -3.668 1.00 1.10 H new ATOM 0 HG22 VAL A 785 6.457 3.264 -5.159 1.00 1.10 H new ATOM 0 HG23 VAL A 785 6.776 5.015 -5.168 1.00 1.10 H new ATOM 136 N GLU A 786 3.721 6.805 -6.405 1.00 0.69 N ATOM 137 CA GLU A 786 3.965 7.910 -7.319 1.00 0.81 C ATOM 138 C GLU A 786 4.771 9.015 -6.637 1.00 0.87 C ATOM 139 O GLU A 786 5.986 9.096 -6.801 1.00 1.56 O ATOM 140 CB GLU A 786 2.626 8.449 -7.835 1.00 0.99 C ATOM 141 CG GLU A 786 2.664 8.993 -9.259 1.00 1.51 C ATOM 142 CD GLU A 786 3.336 10.347 -9.376 1.00 2.26 C ATOM 143 OE1 GLU A 786 4.574 10.408 -9.231 1.00 2.59 O ATOM 144 OE2 GLU A 786 2.639 11.352 -9.622 1.00 3.06 O ATOM 0 H GLU A 786 2.885 6.911 -5.830 1.00 0.69 H new ATOM 0 HA GLU A 786 4.553 7.550 -8.163 1.00 0.81 H new ATOM 0 HB2 GLU A 786 1.885 7.651 -7.785 1.00 0.99 H new ATOM 0 HB3 GLU A 786 2.287 9.241 -7.167 1.00 0.99 H new ATOM 0 HG2 GLU A 786 3.188 8.281 -9.897 1.00 1.51 H new ATOM 0 HG3 GLU A 786 1.644 9.069 -9.637 1.00 1.51 H new ATOM 151 N LYS A 787 4.085 9.887 -5.902 1.00 0.91 N ATOM 152 CA LYS A 787 4.734 11.033 -5.264 1.00 1.01 C ATOM 153 C LYS A 787 5.374 10.642 -3.937 1.00 0.96 C ATOM 154 O LYS A 787 5.331 11.416 -2.979 1.00 1.58 O ATOM 155 CB LYS A 787 3.725 12.164 -5.013 1.00 1.17 C ATOM 156 CG LYS A 787 2.911 12.564 -6.234 1.00 1.21 C ATOM 157 CD LYS A 787 1.554 11.872 -6.267 1.00 1.35 C ATOM 158 CE LYS A 787 0.621 12.406 -5.187 1.00 1.27 C ATOM 159 NZ LYS A 787 -0.723 11.771 -5.246 1.00 1.80 N ATOM 0 H LYS A 787 3.081 9.823 -5.733 1.00 0.91 H new ATOM 0 HA LYS A 787 5.510 11.379 -5.946 1.00 1.01 H new ATOM 0 HB2 LYS A 787 3.042 11.856 -4.221 1.00 1.17 H new ATOM 0 HB3 LYS A 787 4.262 13.039 -4.647 1.00 1.17 H new ATOM 0 HG2 LYS A 787 2.767 13.644 -6.236 1.00 1.21 H new ATOM 0 HG3 LYS A 787 3.467 12.315 -7.138 1.00 1.21 H new ATOM 0 HD2 LYS A 787 1.097 12.015 -7.246 1.00 1.35 H new ATOM 0 HD3 LYS A 787 1.690 10.799 -6.132 1.00 1.35 H new ATOM 0 HE2 LYS A 787 1.063 12.229 -4.206 1.00 1.27 H new ATOM 0 HE3 LYS A 787 0.517 13.485 -5.299 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 -1.439 12.442 -4.903 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 -0.939 11.506 -6.228 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 -0.731 10.920 -4.648 1.00 1.80 H new ATOM 173 N VAL A 788 5.915 9.424 -3.872 1.00 0.66 N ATOM 174 CA VAL A 788 6.497 8.877 -2.643 1.00 0.61 C ATOM 175 C VAL A 788 5.404 8.546 -1.619 1.00 0.70 C ATOM 176 O VAL A 788 5.354 7.430 -1.103 1.00 1.70 O ATOM 177 CB VAL A 788 7.544 9.835 -2.025 1.00 0.70 C ATOM 178 CG1 VAL A 788 8.034 9.324 -0.681 1.00 0.87 C ATOM 179 CG2 VAL A 788 8.717 10.014 -2.975 1.00 1.21 C ATOM 0 H VAL A 788 5.962 8.789 -4.669 1.00 0.66 H new ATOM 0 HA VAL A 788 7.011 7.955 -2.914 1.00 0.61 H new ATOM 0 HB VAL A 788 7.063 10.800 -1.864 1.00 0.70 H new ATOM 0 HG11 VAL A 788 8.768 10.019 -0.273 1.00 0.87 H new ATOM 0 HG12 VAL A 788 7.192 9.241 0.006 1.00 0.87 H new ATOM 0 HG13 VAL A 788 8.494 8.344 -0.810 1.00 0.87 H new ATOM 0 HG21 VAL A 788 9.447 10.690 -2.529 1.00 1.21 H new ATOM 0 HG22 VAL A 788 9.185 9.047 -3.162 1.00 1.21 H new ATOM 0 HG23 VAL A 788 8.362 10.433 -3.916 1.00 1.21 H new ATOM 189 N TRP A 789 4.483 9.492 -1.422 1.00 0.50 N ATOM 190 CA TRP A 789 3.319 9.324 -0.551 1.00 0.33 C ATOM 191 C TRP A 789 3.713 9.330 0.924 1.00 0.29 C ATOM 192 O TRP A 789 4.526 8.524 1.369 1.00 0.34 O ATOM 193 CB TRP A 789 2.571 8.027 -0.874 1.00 0.32 C ATOM 194 CG TRP A 789 1.974 7.972 -2.251 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.701 9.021 -3.085 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.578 6.791 -2.955 1.00 0.34 C ATOM 197 NE1 TRP A 789 1.122 8.560 -4.244 1.00 0.42 N ATOM 198 CE2 TRP A 789 1.042 7.196 -4.187 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.612 5.428 -2.655 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.548 6.289 -5.115 1.00 0.44 C ATOM 201 CZ3 TRP A 789 1.122 4.529 -3.581 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.593 4.965 -4.797 1.00 0.44 C ATOM 0 H TRP A 789 4.526 10.408 -1.869 1.00 0.50 H new ATOM 0 HA TRP A 789 2.661 10.172 -0.738 1.00 0.33 H new ATOM 0 HB2 TRP A 789 3.258 7.189 -0.757 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.775 7.891 -0.142 1.00 0.32 H new ATOM 0 HD1 TRP A 789 1.909 10.058 -2.866 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.804 9.141 -5.020 1.00 0.42 H new ATOM 0 HE3 TRP A 789 2.015 5.083 -1.714 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 0.141 6.622 -6.058 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 1.148 3.472 -3.361 1.00 0.40 H new ATOM 0 HH2 TRP A 789 0.212 4.239 -5.499 1.00 0.44 H new ATOM 213 N ASN A 790 3.058 10.173 1.702 1.00 0.29 N ATOM 214 CA ASN A 790 3.278 10.211 3.142 1.00 0.32 C ATOM 215 C ASN A 790 2.255 9.319 3.845 1.00 0.37 C ATOM 216 O ASN A 790 1.648 9.714 4.842 1.00 0.82 O ATOM 217 CB ASN A 790 3.187 11.655 3.658 1.00 0.39 C ATOM 218 CG ASN A 790 3.760 11.846 5.056 1.00 1.20 C ATOM 219 OD1 ASN A 790 4.391 10.820 5.607 1.00 2.06 O flip ATOM 220 ND2 ASN A 790 3.657 12.928 5.632 1.00 1.79 N flip ATOM 0 H ASN A 790 2.368 10.843 1.363 1.00 0.29 H new ATOM 0 HA ASN A 790 4.278 9.835 3.361 1.00 0.32 H new ATOM 0 HB2 ASN A 790 3.715 12.312 2.966 1.00 0.39 H new ATOM 0 HB3 ASN A 790 2.142 11.966 3.658 1.00 0.39 H new ATOM 0 HD21 ASN A 790 3.165 13.700 5.182 1.00 1.79 H new ATOM 0 HD22 ASN A 790 4.063 13.053 6.559 1.00 1.79 H new ATOM 227 N PHE A 791 2.057 8.121 3.285 1.00 0.30 N ATOM 228 CA PHE A 791 1.121 7.114 3.813 1.00 0.25 C ATOM 229 C PHE A 791 -0.338 7.519 3.586 1.00 0.23 C ATOM 230 O PHE A 791 -1.136 6.717 3.101 1.00 0.21 O ATOM 231 CB PHE A 791 1.399 6.844 5.299 1.00 0.28 C ATOM 232 CG PHE A 791 0.530 5.790 5.926 1.00 0.30 C ATOM 233 CD1 PHE A 791 0.250 4.607 5.261 1.00 0.30 C ATOM 234 CD2 PHE A 791 0.006 5.978 7.196 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.540 3.638 5.847 1.00 0.36 C ATOM 236 CE2 PHE A 791 -0.781 5.010 7.787 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.056 3.840 7.111 1.00 0.42 C ATOM 0 H PHE A 791 2.546 7.817 2.443 1.00 0.30 H new ATOM 0 HA PHE A 791 1.284 6.189 3.261 1.00 0.25 H new ATOM 0 HB2 PHE A 791 2.442 6.547 5.410 1.00 0.28 H new ATOM 0 HB3 PHE A 791 1.272 7.775 5.852 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.654 4.441 4.273 1.00 0.30 H new ATOM 0 HD2 PHE A 791 0.216 6.893 7.729 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -0.754 2.722 5.316 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -1.181 5.169 8.778 1.00 0.47 H new ATOM 0 HZ PHE A 791 -1.674 3.083 7.570 1.00 0.42 H new ATOM 247 N ASP A 792 -0.661 8.774 3.864 1.00 0.26 N ATOM 248 CA ASP A 792 -2.008 9.300 3.650 1.00 0.29 C ATOM 249 C ASP A 792 -2.385 9.205 2.170 1.00 0.25 C ATOM 250 O ASP A 792 -3.454 8.706 1.816 1.00 0.26 O ATOM 251 CB ASP A 792 -2.070 10.758 4.123 1.00 0.38 C ATOM 252 CG ASP A 792 -3.486 11.290 4.261 1.00 1.13 C ATOM 253 OD1 ASP A 792 -4.445 10.514 4.094 1.00 1.74 O ATOM 254 OD2 ASP A 792 -3.644 12.490 4.572 1.00 1.86 O ATOM 0 H ASP A 792 -0.003 9.456 4.242 1.00 0.26 H new ATOM 0 HA ASP A 792 -2.720 8.707 4.225 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -1.564 10.842 5.085 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -1.522 11.384 3.419 1.00 0.38 H new ATOM 259 N ASP A 793 -1.457 9.613 1.312 1.00 0.24 N ATOM 260 CA ASP A 793 -1.643 9.554 -0.138 1.00 0.23 C ATOM 261 C ASP A 793 -1.763 8.109 -0.600 1.00 0.19 C ATOM 262 O ASP A 793 -2.587 7.775 -1.452 1.00 0.18 O ATOM 263 CB ASP A 793 -0.457 10.208 -0.845 1.00 0.28 C ATOM 264 CG ASP A 793 -0.859 10.955 -2.101 1.00 0.75 C ATOM 265 OD1 ASP A 793 -1.292 10.305 -3.069 1.00 1.16 O ATOM 266 OD2 ASP A 793 -0.753 12.197 -2.129 1.00 1.36 O ATOM 0 H ASP A 793 -0.555 9.994 1.598 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.559 10.089 -0.388 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.033 10.898 -0.159 1.00 0.28 H new ATOM 0 HB3 ASP A 793 0.274 9.442 -1.102 1.00 0.28 H new ATOM 271 N LEU A 794 -0.940 7.257 -0.001 1.00 0.18 N ATOM 272 CA LEU A 794 -0.934 5.834 -0.300 1.00 0.17 C ATOM 273 C LEU A 794 -2.286 5.205 0.036 1.00 0.16 C ATOM 274 O LEU A 794 -2.877 4.518 -0.798 1.00 0.16 O ATOM 275 CB LEU A 794 0.217 5.160 0.466 1.00 0.19 C ATOM 276 CG LEU A 794 0.012 3.690 0.836 1.00 0.19 C ATOM 277 CD1 LEU A 794 0.065 2.803 -0.401 1.00 0.22 C ATOM 278 CD2 LEU A 794 1.048 3.248 1.858 1.00 0.22 C ATOM 0 H LEU A 794 -0.259 7.535 0.705 1.00 0.18 H new ATOM 0 HA LEU A 794 -0.772 5.685 -1.368 1.00 0.17 H new ATOM 0 HB2 LEU A 794 1.122 5.239 -0.136 1.00 0.19 H new ATOM 0 HB3 LEU A 794 0.394 5.723 1.383 1.00 0.19 H new ATOM 0 HG LEU A 794 -0.978 3.588 1.281 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.084 1.763 -0.110 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -0.720 3.101 -1.096 1.00 0.22 H new ATOM 0 HD13 LEU A 794 1.037 2.909 -0.884 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.887 2.200 2.109 1.00 0.22 H new ATOM 0 HD22 LEU A 794 2.047 3.371 1.440 1.00 0.22 H new ATOM 0 HD23 LEU A 794 0.954 3.856 2.758 1.00 0.22 H new ATOM 290 N ILE A 795 -2.816 5.529 1.212 1.00 0.18 N ATOM 291 CA ILE A 795 -4.136 5.052 1.613 1.00 0.20 C ATOM 292 C ILE A 795 -5.211 5.585 0.669 1.00 0.19 C ATOM 293 O ILE A 795 -6.093 4.841 0.240 1.00 0.20 O ATOM 294 CB ILE A 795 -4.473 5.454 3.068 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.499 4.786 4.042 1.00 0.51 C ATOM 296 CG2 ILE A 795 -5.909 5.087 3.421 1.00 0.51 C ATOM 297 CD1 ILE A 795 -3.515 3.273 3.981 1.00 0.48 C ATOM 0 H ILE A 795 -2.353 6.119 1.903 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.115 3.964 1.558 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.371 6.536 3.152 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.489 5.138 3.830 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -3.741 5.102 5.057 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.117 5.381 4.450 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.593 5.606 2.749 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.046 4.011 3.317 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -2.800 2.872 4.699 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -4.514 2.910 4.223 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.243 2.946 2.977 1.00 0.48 H new ATOM 309 N MET A 796 -5.086 6.856 0.293 1.00 0.22 N ATOM 310 CA MET A 796 -6.009 7.474 -0.656 1.00 0.26 C ATOM 311 C MET A 796 -6.018 6.722 -1.980 1.00 0.22 C ATOM 312 O MET A 796 -7.080 6.429 -2.526 1.00 0.23 O ATOM 313 CB MET A 796 -5.637 8.938 -0.900 1.00 0.38 C ATOM 314 CG MET A 796 -6.053 9.871 0.222 1.00 0.93 C ATOM 315 SD MET A 796 -7.845 9.970 0.416 1.00 2.03 S ATOM 316 CE MET A 796 -8.318 10.634 -1.180 1.00 2.69 C ATOM 0 H MET A 796 -4.353 7.479 0.632 1.00 0.22 H new ATOM 0 HA MET A 796 -7.007 7.428 -0.220 1.00 0.26 H new ATOM 0 HB2 MET A 796 -4.558 9.011 -1.039 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.101 9.271 -1.828 1.00 0.38 H new ATOM 0 HG2 MET A 796 -5.609 9.529 1.157 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.657 10.868 0.026 1.00 0.93 H new ATOM 0 HE1 MET A 796 -9.294 11.112 -1.100 1.00 2.69 H new ATOM 0 HE2 MET A 796 -7.579 11.368 -1.502 1.00 2.69 H new ATOM 0 HE3 MET A 796 -8.369 9.826 -1.910 1.00 2.69 H new ATOM 326 N ALA A 797 -4.831 6.379 -2.469 1.00 0.21 N ATOM 327 CA ALA A 797 -4.705 5.633 -3.712 1.00 0.22 C ATOM 328 C ALA A 797 -5.332 4.251 -3.575 1.00 0.21 C ATOM 329 O ALA A 797 -6.114 3.825 -4.429 1.00 0.26 O ATOM 330 CB ALA A 797 -3.244 5.517 -4.115 1.00 0.27 C ATOM 0 H ALA A 797 -3.943 6.607 -2.022 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.238 6.175 -4.493 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.167 4.956 -5.047 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -2.825 6.513 -4.255 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -2.691 4.998 -3.332 1.00 0.27 H new ATOM 336 N ILE A 798 -5.025 3.584 -2.466 1.00 0.20 N ATOM 337 CA ILE A 798 -5.576 2.266 -2.177 1.00 0.26 C ATOM 338 C ILE A 798 -7.103 2.298 -2.157 1.00 0.27 C ATOM 339 O ILE A 798 -7.755 1.529 -2.863 1.00 0.33 O ATOM 340 CB ILE A 798 -5.071 1.725 -0.819 1.00 0.31 C ATOM 341 CG1 ILE A 798 -3.556 1.519 -0.849 1.00 0.32 C ATOM 342 CG2 ILE A 798 -5.769 0.419 -0.472 1.00 0.43 C ATOM 343 CD1 ILE A 798 -2.976 1.077 0.479 1.00 0.67 C ATOM 0 H ILE A 798 -4.393 3.939 -1.749 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.237 1.604 -2.974 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.306 2.463 -0.052 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.314 0.774 -1.607 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.077 2.450 -1.153 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -5.401 0.053 0.487 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -6.844 0.587 -0.408 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -5.563 -0.321 -1.246 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -1.898 0.951 0.381 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.186 1.832 1.237 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -3.426 0.130 0.776 1.00 0.67 H new ATOM 355 N ASN A 799 -7.662 3.198 -1.357 1.00 0.27 N ATOM 356 CA ASN A 799 -9.111 3.308 -1.224 1.00 0.33 C ATOM 357 C ASN A 799 -9.763 3.706 -2.539 1.00 0.31 C ATOM 358 O ASN A 799 -10.870 3.277 -2.844 1.00 0.40 O ATOM 359 CB ASN A 799 -9.495 4.307 -0.132 1.00 0.40 C ATOM 360 CG ASN A 799 -9.417 3.708 1.257 1.00 0.55 C ATOM 361 OD1 ASN A 799 -9.766 2.554 1.463 1.00 1.21 O ATOM 362 ND2 ASN A 799 -9.007 4.499 2.227 1.00 0.70 N ATOM 0 H ASN A 799 -7.135 3.862 -0.790 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.479 2.322 -0.940 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -8.835 5.173 -0.188 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.508 4.666 -0.313 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -8.973 4.154 3.186 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -8.723 5.456 2.019 1.00 0.70 H new ATOM 369 N SER A 800 -9.096 4.566 -3.294 1.00 0.30 N ATOM 370 CA SER A 800 -9.630 5.027 -4.562 1.00 0.35 C ATOM 371 C SER A 800 -9.788 3.854 -5.530 1.00 0.33 C ATOM 372 O SER A 800 -10.823 3.703 -6.183 1.00 0.41 O ATOM 373 CB SER A 800 -8.713 6.093 -5.169 1.00 0.44 C ATOM 374 OG SER A 800 -9.328 6.736 -6.272 1.00 1.29 O ATOM 0 H SER A 800 -8.186 4.957 -3.049 1.00 0.30 H new ATOM 0 HA SER A 800 -10.611 5.469 -4.385 1.00 0.35 H new ATOM 0 HB2 SER A 800 -8.460 6.833 -4.409 1.00 0.44 H new ATOM 0 HB3 SER A 800 -7.779 5.632 -5.489 1.00 0.44 H new ATOM 0 HG SER A 800 -8.720 7.412 -6.637 1.00 1.29 H new ATOM 380 N LYS A 801 -8.742 3.041 -5.635 1.00 0.29 N ATOM 381 CA LYS A 801 -8.751 1.880 -6.519 1.00 0.36 C ATOM 382 C LYS A 801 -9.703 0.789 -6.020 1.00 0.43 C ATOM 383 O LYS A 801 -10.410 0.168 -6.814 1.00 0.58 O ATOM 384 CB LYS A 801 -7.342 1.312 -6.657 1.00 0.43 C ATOM 385 CG LYS A 801 -6.326 2.309 -7.193 1.00 0.86 C ATOM 386 CD LYS A 801 -6.498 2.567 -8.682 1.00 1.06 C ATOM 387 CE LYS A 801 -6.192 1.324 -9.501 1.00 1.13 C ATOM 388 NZ LYS A 801 -6.105 1.621 -10.954 1.00 1.95 N ATOM 0 H LYS A 801 -7.873 3.166 -5.116 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.108 2.215 -7.493 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -7.008 0.955 -5.683 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.373 0.447 -7.320 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -6.422 3.249 -6.650 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -5.320 1.935 -7.006 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -7.519 2.893 -8.880 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -5.839 3.379 -8.990 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -5.251 0.890 -9.163 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -6.967 0.577 -9.330 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -5.895 0.746 -11.475 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -7.011 2.011 -11.283 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -5.348 2.314 -11.122 1.00 1.95 H new ATOM 402 N ILE A 802 -9.637 0.493 -4.725 1.00 0.39 N ATOM 403 CA ILE A 802 -10.421 -0.592 -4.135 1.00 0.52 C ATOM 404 C ILE A 802 -11.889 -0.194 -3.953 1.00 0.70 C ATOM 405 O ILE A 802 -12.191 0.877 -3.430 1.00 1.56 O ATOM 406 CB ILE A 802 -9.822 -1.036 -2.777 1.00 0.54 C ATOM 407 CG1 ILE A 802 -8.446 -1.675 -2.991 1.00 0.64 C ATOM 408 CG2 ILE A 802 -10.750 -2.003 -2.052 1.00 0.71 C ATOM 409 CD1 ILE A 802 -7.815 -2.208 -1.721 1.00 0.71 C ATOM 0 H ILE A 802 -9.046 0.991 -4.060 1.00 0.39 H new ATOM 0 HA ILE A 802 -10.379 -1.431 -4.830 1.00 0.52 H new ATOM 0 HB ILE A 802 -9.709 -0.151 -2.151 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -8.542 -2.491 -3.708 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -7.778 -0.937 -3.435 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -10.301 -2.296 -1.103 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -11.708 -1.517 -1.866 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -10.906 -2.889 -2.668 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -6.844 -2.645 -1.953 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -7.686 -1.393 -1.009 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -8.461 -2.970 -1.286 1.00 0.71 H new ATOM 421 N SER A 803 -12.788 -1.078 -4.386 1.00 1.05 N ATOM 422 CA SER A 803 -14.228 -0.863 -4.268 1.00 1.14 C ATOM 423 C SER A 803 -14.641 0.407 -5.014 1.00 1.66 C ATOM 424 O SER A 803 -15.530 1.147 -4.581 1.00 2.28 O ATOM 425 CB SER A 803 -14.636 -0.788 -2.790 1.00 2.03 C ATOM 426 OG SER A 803 -16.046 -0.864 -2.631 1.00 2.88 O ATOM 0 H SER A 803 -12.537 -1.962 -4.828 1.00 1.05 H new ATOM 0 HA SER A 803 -14.747 -1.707 -4.723 1.00 1.14 H new ATOM 0 HB2 SER A 803 -14.163 -1.602 -2.240 1.00 2.03 H new ATOM 0 HB3 SER A 803 -14.270 0.144 -2.358 1.00 2.03 H new ATOM 0 HG SER A 803 -16.480 -0.259 -3.268 1.00 2.88 H new ATOM 432 N ASN A 804 -13.991 0.639 -6.149 1.00 2.33 N ATOM 433 CA ASN A 804 -14.243 1.824 -6.967 1.00 3.40 C ATOM 434 C ASN A 804 -15.511 1.695 -7.812 1.00 3.88 C ATOM 435 O ASN A 804 -15.556 2.155 -8.955 1.00 4.66 O ATOM 436 CB ASN A 804 -13.036 2.125 -7.870 1.00 4.12 C ATOM 437 CG ASN A 804 -12.634 0.987 -8.809 1.00 4.56 C ATOM 438 OD1 ASN A 804 -13.343 -0.132 -8.775 1.00 5.02 O flip ATOM 439 ND2 ASN A 804 -11.670 1.121 -9.562 1.00 4.87 N flip ATOM 0 H ASN A 804 -13.278 0.016 -6.528 1.00 2.33 H new ATOM 0 HA ASN A 804 -14.396 2.654 -6.278 1.00 3.40 H new ATOM 0 HB2 ASN A 804 -13.260 3.008 -8.468 1.00 4.12 H new ATOM 0 HB3 ASN A 804 -12.183 2.375 -7.240 1.00 4.12 H new ATOM 0 HD21 ASN A 804 -11.143 1.995 -9.566 1.00 4.87 H new ATOM 0 HD22 ASN A 804 -11.398 0.359 -10.182 1.00 4.87 H new ATOM 446 N THR A 805 -16.562 1.155 -7.217 1.00 3.74 N ATOM 447 CA THR A 805 -17.848 1.067 -7.883 1.00 4.53 C ATOM 448 C THR A 805 -18.491 2.447 -7.961 1.00 4.65 C ATOM 449 O THR A 805 -18.620 3.029 -9.041 1.00 5.32 O ATOM 450 CB THR A 805 -18.781 0.104 -7.128 1.00 4.91 C ATOM 451 OG1 THR A 805 -18.711 0.373 -5.718 1.00 5.49 O ATOM 452 CG2 THR A 805 -18.399 -1.342 -7.393 1.00 4.80 C ATOM 0 H THR A 805 -16.548 0.771 -6.272 1.00 3.74 H new ATOM 0 HA THR A 805 -17.689 0.685 -8.892 1.00 4.53 H new ATOM 0 HB THR A 805 -19.800 0.260 -7.483 1.00 4.91 H new ATOM 0 HG1 THR A 805 -19.307 -0.240 -5.238 1.00 5.49 H new ATOM 0 HG21 THR A 805 -19.074 -2.002 -6.848 1.00 4.80 H new ATOM 0 HG22 THR A 805 -18.474 -1.548 -8.461 1.00 4.80 H new ATOM 0 HG23 THR A 805 -17.375 -1.515 -7.061 1.00 4.80 H new ATOM 460 N HIS A 806 -18.752 3.012 -6.791 1.00 4.26 N ATOM 461 CA HIS A 806 -19.264 4.370 -6.668 1.00 4.59 C ATOM 462 C HIS A 806 -19.048 4.870 -5.244 1.00 4.36 C ATOM 463 O HIS A 806 -19.834 5.654 -4.711 1.00 4.80 O ATOM 464 CB HIS A 806 -20.755 4.457 -7.063 1.00 5.01 C ATOM 465 CG HIS A 806 -21.683 3.538 -6.313 1.00 5.39 C ATOM 466 ND1 HIS A 806 -21.441 2.488 -5.490 1.00 5.99 N flip ATOM 467 CD2 HIS A 806 -23.056 3.639 -6.395 1.00 5.63 C flip ATOM 468 CE1 HIS A 806 -22.655 1.989 -5.098 1.00 6.49 C flip ATOM 469 NE2 HIS A 806 -23.611 2.699 -5.657 1.00 6.32 N flip ATOM 0 H HIS A 806 -18.614 2.540 -5.897 1.00 4.26 H new ATOM 0 HA HIS A 806 -18.714 5.008 -7.360 1.00 4.59 H new ATOM 0 HB2 HIS A 806 -21.092 5.483 -6.916 1.00 5.01 H new ATOM 0 HB3 HIS A 806 -20.843 4.242 -8.128 1.00 5.01 H new ATOM 0 HD2 HIS A 806 -23.593 4.375 -6.975 1.00 5.63 H new ATOM 0 HE1 HIS A 806 -22.803 1.148 -4.437 1.00 6.49 H new ATOM 0 HE2 HIS A 806 -24.613 2.547 -5.539 1.00 6.32 H new ATOM 478 N ASN A 807 -17.927 4.451 -4.667 1.00 4.08 N ATOM 479 CA ASN A 807 -17.520 4.882 -3.333 1.00 4.33 C ATOM 480 C ASN A 807 -16.009 5.019 -3.297 1.00 3.86 C ATOM 481 O ASN A 807 -15.301 4.280 -3.979 1.00 4.10 O ATOM 482 CB ASN A 807 -17.944 3.886 -2.243 1.00 4.87 C ATOM 483 CG ASN A 807 -19.443 3.741 -2.080 1.00 5.24 C ATOM 484 OD1 ASN A 807 -20.118 3.165 -2.931 1.00 5.49 O ATOM 485 ND2 ASN A 807 -19.973 4.251 -0.980 1.00 5.72 N ATOM 0 H ASN A 807 -17.275 3.804 -5.110 1.00 4.08 H new ATOM 0 HA ASN A 807 -18.012 5.834 -3.132 1.00 4.33 H new ATOM 0 HB2 ASN A 807 -17.519 2.909 -2.475 1.00 4.87 H new ATOM 0 HB3 ASN A 807 -17.516 4.202 -1.292 1.00 4.87 H new ATOM 0 HD21 ASN A 807 -20.976 4.173 -0.814 1.00 5.72 H new ATOM 0 HD22 ASN A 807 -19.378 4.722 -0.298 1.00 5.72 H new ATOM 492 N ASN A 808 -15.511 5.915 -2.461 1.00 3.63 N ATOM 493 CA ASN A 808 -14.072 6.061 -2.272 1.00 3.49 C ATOM 494 C ASN A 808 -13.572 5.057 -1.236 1.00 2.65 C ATOM 495 O ASN A 808 -12.453 5.176 -0.739 1.00 3.08 O ATOM 496 CB ASN A 808 -13.711 7.485 -1.828 1.00 4.33 C ATOM 497 CG ASN A 808 -13.946 8.537 -2.903 1.00 4.99 C ATOM 498 OD1 ASN A 808 -14.612 8.160 -3.983 1.00 5.77 O flip ATOM 499 ND2 ASN A 808 -13.552 9.693 -2.745 1.00 5.03 N flip ATOM 0 H ASN A 808 -16.078 6.552 -1.902 1.00 3.63 H new ATOM 0 HA ASN A 808 -13.588 5.867 -3.229 1.00 3.49 H new ATOM 0 HB2 ASN A 808 -14.298 7.741 -0.946 1.00 4.33 H new ATOM 0 HB3 ASN A 808 -12.663 7.509 -1.531 1.00 4.33 H new ATOM 0 HD21 ASN A 808 -13.042 9.947 -1.899 1.00 5.03 H new ATOM 0 HD22 ASN A 808 -13.736 10.397 -3.460 1.00 5.03 H new ATOM 506 N ASN A 809 -14.428 4.080 -0.921 1.00 1.96 N ATOM 507 CA ASN A 809 -14.129 3.017 0.047 1.00 1.56 C ATOM 508 C ASN A 809 -13.980 3.564 1.468 1.00 1.72 C ATOM 509 O ASN A 809 -13.571 4.708 1.677 1.00 2.42 O ATOM 510 CB ASN A 809 -12.878 2.231 -0.357 1.00 1.91 C ATOM 511 CG ASN A 809 -12.734 0.940 0.429 1.00 2.28 C ATOM 512 OD1 ASN A 809 -13.628 0.093 0.418 1.00 3.06 O ATOM 513 ND2 ASN A 809 -11.619 0.782 1.121 1.00 2.55 N ATOM 0 H ASN A 809 -15.357 4.003 -1.334 1.00 1.96 H new ATOM 0 HA ASN A 809 -14.980 2.336 0.040 1.00 1.56 H new ATOM 0 HB2 ASN A 809 -12.922 2.003 -1.422 1.00 1.91 H new ATOM 0 HB3 ASN A 809 -11.995 2.851 -0.200 1.00 1.91 H new ATOM 0 HD21 ASN A 809 -11.476 -0.065 1.671 1.00 2.55 H new ATOM 0 HD22 ASN A 809 -10.902 1.507 1.105 1.00 2.55 H new ATOM 520 N ILE A 810 -14.386 2.763 2.446 1.00 1.83 N ATOM 521 CA ILE A 810 -14.338 3.178 3.840 1.00 2.18 C ATOM 522 C ILE A 810 -12.893 3.207 4.325 1.00 1.94 C ATOM 523 O ILE A 810 -12.351 4.264 4.658 1.00 2.25 O ATOM 524 CB ILE A 810 -15.157 2.232 4.764 1.00 2.63 C ATOM 525 CG1 ILE A 810 -16.669 2.394 4.551 1.00 3.05 C ATOM 526 CG2 ILE A 810 -14.823 2.479 6.231 1.00 3.04 C ATOM 527 CD1 ILE A 810 -17.136 2.090 3.149 1.00 3.44 C ATOM 0 H ILE A 810 -14.752 1.823 2.298 1.00 1.83 H new ATOM 0 HA ILE A 810 -14.780 4.173 3.892 1.00 2.18 H new ATOM 0 HB ILE A 810 -14.879 1.213 4.497 1.00 2.63 H new ATOM 0 HG12 ILE A 810 -17.194 1.739 5.246 1.00 3.05 H new ATOM 0 HG13 ILE A 810 -16.952 3.416 4.802 1.00 3.05 H new ATOM 0 HG21 ILE A 810 -15.409 1.805 6.856 1.00 3.04 H new ATOM 0 HG22 ILE A 810 -13.761 2.298 6.398 1.00 3.04 H new ATOM 0 HG23 ILE A 810 -15.060 3.511 6.489 1.00 3.04 H new ATOM 0 HD11 ILE A 810 -18.215 2.229 3.087 1.00 3.44 H new ATOM 0 HD12 ILE A 810 -16.642 2.762 2.447 1.00 3.44 H new ATOM 0 HD13 ILE A 810 -16.888 1.058 2.899 1.00 3.44 H new ATOM 539 N SER A 811 -12.280 2.032 4.353 1.00 1.61 N ATOM 540 CA SER A 811 -10.909 1.871 4.813 1.00 1.34 C ATOM 541 C SER A 811 -10.372 0.524 4.351 1.00 1.12 C ATOM 542 O SER A 811 -11.113 -0.458 4.308 1.00 1.24 O ATOM 543 CB SER A 811 -10.838 1.941 6.346 1.00 1.36 C ATOM 544 OG SER A 811 -11.336 3.174 6.843 1.00 1.89 O ATOM 0 H SER A 811 -12.721 1.161 4.056 1.00 1.61 H new ATOM 0 HA SER A 811 -10.308 2.678 4.394 1.00 1.34 H new ATOM 0 HB2 SER A 811 -11.412 1.119 6.774 1.00 1.36 H new ATOM 0 HB3 SER A 811 -9.805 1.810 6.668 1.00 1.36 H new ATOM 0 HG SER A 811 -11.403 3.820 6.109 1.00 1.89 H new ATOM 550 N PRO A 812 -9.077 0.448 4.018 1.00 0.88 N ATOM 551 CA PRO A 812 -8.429 -0.786 3.593 1.00 0.80 C ATOM 552 C PRO A 812 -8.155 -1.707 4.785 1.00 0.77 C ATOM 553 O PRO A 812 -7.049 -2.215 4.974 1.00 0.82 O ATOM 554 CB PRO A 812 -7.129 -0.308 2.921 1.00 0.77 C ATOM 555 CG PRO A 812 -7.177 1.190 2.954 1.00 0.75 C ATOM 556 CD PRO A 812 -8.127 1.551 4.055 1.00 0.82 C ATOM 0 HA PRO A 812 -9.046 -1.379 2.917 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -6.254 -0.683 3.452 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -7.061 -0.674 1.897 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -6.188 1.608 3.140 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.517 1.590 1.999 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -7.624 1.622 5.019 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -8.611 2.511 3.876 1.00 0.82 H new ATOM 564 N ILE A 813 -9.206 -1.915 5.570 1.00 0.87 N ATOM 565 CA ILE A 813 -9.204 -2.819 6.724 1.00 0.96 C ATOM 566 C ILE A 813 -8.306 -2.293 7.862 1.00 0.96 C ATOM 567 O ILE A 813 -8.074 -2.981 8.847 1.00 1.64 O ATOM 568 CB ILE A 813 -8.793 -4.260 6.326 1.00 1.06 C ATOM 569 CG1 ILE A 813 -9.412 -4.657 4.977 1.00 1.46 C ATOM 570 CG2 ILE A 813 -9.237 -5.254 7.391 1.00 1.22 C ATOM 571 CD1 ILE A 813 -10.928 -4.692 4.980 1.00 1.67 C ATOM 0 H ILE A 813 -10.103 -1.453 5.423 1.00 0.87 H new ATOM 0 HA ILE A 813 -10.229 -2.853 7.095 1.00 0.96 H new ATOM 0 HB ILE A 813 -7.707 -4.281 6.238 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -9.077 -3.954 4.214 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -9.037 -5.640 4.692 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -8.940 -6.260 7.096 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -8.768 -5.002 8.342 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -10.321 -5.212 7.499 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -11.287 -4.980 3.992 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -11.274 -5.416 5.718 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -11.314 -3.704 5.232 1.00 1.67 H new ATOM 583 N THR A 814 -7.950 -1.010 7.768 1.00 0.83 N ATOM 584 CA THR A 814 -7.249 -0.238 8.816 1.00 0.84 C ATOM 585 C THR A 814 -5.801 -0.670 9.027 1.00 0.71 C ATOM 586 O THR A 814 -4.909 0.172 9.137 1.00 1.08 O ATOM 587 CB THR A 814 -8.001 -0.235 10.172 1.00 1.10 C ATOM 588 OG1 THR A 814 -7.830 -1.472 10.876 1.00 1.03 O ATOM 589 CG2 THR A 814 -9.481 0.013 9.952 1.00 1.90 C ATOM 0 H THR A 814 -8.145 -0.454 6.935 1.00 0.83 H new ATOM 0 HA THR A 814 -7.236 0.781 8.430 1.00 0.84 H new ATOM 0 HB THR A 814 -7.576 0.567 10.776 1.00 1.10 H new ATOM 0 HG1 THR A 814 -8.255 -2.197 10.372 1.00 1.03 H new ATOM 0 HG21 THR A 814 -9.997 0.012 10.912 1.00 1.90 H new ATOM 0 HG22 THR A 814 -9.620 0.979 9.466 1.00 1.90 H new ATOM 0 HG23 THR A 814 -9.892 -0.774 9.319 1.00 1.90 H new ATOM 597 N LYS A 815 -5.549 -1.963 9.018 1.00 0.61 N ATOM 598 CA LYS A 815 -4.181 -2.449 9.152 1.00 0.82 C ATOM 599 C LYS A 815 -3.750 -3.161 7.876 1.00 0.88 C ATOM 600 O LYS A 815 -3.343 -4.325 7.879 1.00 1.68 O ATOM 601 CB LYS A 815 -3.958 -3.312 10.420 1.00 1.16 C ATOM 602 CG LYS A 815 -4.578 -4.700 10.403 1.00 1.29 C ATOM 603 CD LYS A 815 -6.079 -4.650 10.515 1.00 1.45 C ATOM 604 CE LYS A 815 -6.709 -5.563 9.492 1.00 1.74 C ATOM 605 NZ LYS A 815 -6.750 -6.979 9.939 1.00 2.52 N ATOM 0 H LYS A 815 -6.257 -2.690 8.921 1.00 0.61 H new ATOM 0 HA LYS A 815 -3.538 -1.580 9.292 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -2.885 -3.418 10.578 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -4.355 -2.770 11.278 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -4.300 -5.210 9.480 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -4.173 -5.288 11.226 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -6.386 -4.948 11.517 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -6.428 -3.628 10.365 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -7.723 -5.223 9.282 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -6.151 -5.497 8.558 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -7.296 -7.543 9.256 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -5.781 -7.352 10.000 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -7.202 -7.035 10.874 1.00 2.52 H new ATOM 619 N ILE A 816 -3.800 -2.393 6.795 1.00 0.43 N ATOM 620 CA ILE A 816 -3.311 -2.813 5.488 1.00 0.34 C ATOM 621 C ILE A 816 -1.942 -3.463 5.616 1.00 0.30 C ATOM 622 O ILE A 816 -1.107 -3.034 6.416 1.00 0.33 O ATOM 623 CB ILE A 816 -3.154 -1.619 4.515 1.00 0.39 C ATOM 624 CG1 ILE A 816 -3.262 -0.262 5.240 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.160 -1.710 3.387 1.00 0.55 C ATOM 626 CD1 ILE A 816 -4.680 0.181 5.554 1.00 1.06 C ATOM 0 H ILE A 816 -4.186 -1.449 6.801 1.00 0.43 H new ATOM 0 HA ILE A 816 -4.049 -3.513 5.097 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.152 -1.677 4.091 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -2.699 -0.318 6.172 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -2.786 0.502 4.625 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.032 -0.861 2.716 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -4.004 -2.637 2.834 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -5.169 -1.698 3.798 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -4.656 1.144 6.063 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -5.246 0.275 4.627 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -5.158 -0.558 6.198 1.00 1.06 H new ATOM 638 N LYS A 817 -1.663 -4.380 4.724 1.00 0.26 N ATOM 639 CA LYS A 817 -0.376 -5.038 4.691 1.00 0.24 C ATOM 640 C LYS A 817 0.183 -4.898 3.295 1.00 0.23 C ATOM 641 O LYS A 817 -0.572 -4.774 2.335 1.00 0.24 O ATOM 642 CB LYS A 817 -0.524 -6.514 5.072 1.00 0.33 C ATOM 643 CG LYS A 817 0.791 -7.228 5.342 1.00 0.74 C ATOM 644 CD LYS A 817 0.567 -8.689 5.690 1.00 0.68 C ATOM 645 CE LYS A 817 -0.167 -8.841 7.010 1.00 1.18 C ATOM 646 NZ LYS A 817 0.759 -8.856 8.171 1.00 1.35 N ATOM 0 H LYS A 817 -2.315 -4.692 4.004 1.00 0.26 H new ATOM 0 HA LYS A 817 0.303 -4.580 5.410 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -1.152 -6.586 5.960 1.00 0.33 H new ATOM 0 HB3 LYS A 817 -1.047 -7.033 4.269 1.00 0.33 H new ATOM 0 HG2 LYS A 817 1.433 -7.156 4.464 1.00 0.74 H new ATOM 0 HG3 LYS A 817 1.314 -6.733 6.161 1.00 0.74 H new ATOM 0 HD2 LYS A 817 -0.006 -9.169 4.897 1.00 0.68 H new ATOM 0 HD3 LYS A 817 1.527 -9.202 5.745 1.00 0.68 H new ATOM 0 HE2 LYS A 817 -0.877 -8.022 7.125 1.00 1.18 H new ATOM 0 HE3 LYS A 817 -0.745 -9.765 6.997 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 0.720 -9.786 8.634 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 1.729 -8.673 7.844 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 0.477 -8.119 8.849 1.00 1.35 H new ATOM 660 N TYR A 818 1.484 -4.759 3.199 1.00 0.20 N ATOM 661 CA TYR A 818 2.098 -4.399 1.947 1.00 0.19 C ATOM 662 C TYR A 818 3.178 -5.393 1.584 1.00 0.18 C ATOM 663 O TYR A 818 3.781 -6.036 2.444 1.00 0.19 O ATOM 664 CB TYR A 818 2.663 -2.965 2.005 1.00 0.20 C ATOM 665 CG TYR A 818 4.047 -2.837 2.618 1.00 0.20 C ATOM 666 CD1 TYR A 818 5.192 -3.097 1.874 1.00 0.23 C ATOM 667 CD2 TYR A 818 4.205 -2.481 3.953 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.449 -3.002 2.439 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.457 -2.377 4.524 1.00 0.27 C ATOM 670 CZ TYR A 818 6.589 -2.571 3.718 1.00 0.26 C ATOM 671 OH TYR A 818 7.825 -2.536 4.332 1.00 0.30 O ATOM 0 H TYR A 818 2.136 -4.890 3.973 1.00 0.20 H new ATOM 0 HA TYR A 818 1.335 -4.425 1.169 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.694 -2.563 0.992 1.00 0.20 H new ATOM 0 HB3 TYR A 818 1.972 -2.343 2.574 1.00 0.20 H new ATOM 0 HD1 TYR A 818 5.097 -3.378 0.836 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.331 -2.282 4.555 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.321 -3.271 1.862 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.564 -2.150 5.574 1.00 0.27 H new ATOM 0 HH TYR A 818 7.773 -1.986 5.141 1.00 0.30 H new ATOM 681 N GLN A 819 3.296 -5.606 0.301 1.00 0.17 N ATOM 682 CA GLN A 819 4.188 -6.586 -0.251 1.00 0.19 C ATOM 683 C GLN A 819 5.051 -5.919 -1.299 1.00 0.19 C ATOM 684 O GLN A 819 4.633 -4.942 -1.915 1.00 0.18 O ATOM 685 CB GLN A 819 3.382 -7.752 -0.852 1.00 0.22 C ATOM 686 CG GLN A 819 4.174 -8.633 -1.807 1.00 0.35 C ATOM 687 CD GLN A 819 3.365 -9.785 -2.367 1.00 0.45 C ATOM 688 OE1 GLN A 819 2.942 -9.662 -3.609 1.00 1.08 O flip ATOM 689 NE2 GLN A 819 3.118 -10.774 -1.690 1.00 0.90 N flip ATOM 0 H GLN A 819 2.764 -5.093 -0.402 1.00 0.17 H new ATOM 0 HA GLN A 819 4.830 -6.995 0.529 1.00 0.19 H new ATOM 0 HB2 GLN A 819 2.998 -8.370 -0.040 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.519 -7.347 -1.380 1.00 0.22 H new ATOM 0 HG2 GLN A 819 4.544 -8.023 -2.631 1.00 0.35 H new ATOM 0 HG3 GLN A 819 5.046 -9.029 -1.287 1.00 0.35 H new ATOM 0 HE21 GLN A 819 3.462 -10.835 -0.732 1.00 0.90 H new ATOM 0 HE22 GLN A 819 2.568 -11.537 -2.084 1.00 0.90 H new ATOM 698 N ASP A 820 6.290 -6.351 -1.406 1.00 0.22 N ATOM 699 CA ASP A 820 7.228 -5.695 -2.290 1.00 0.24 C ATOM 700 C ASP A 820 7.843 -6.717 -3.218 1.00 0.28 C ATOM 701 O ASP A 820 8.038 -7.880 -2.833 1.00 0.38 O ATOM 702 CB ASP A 820 8.315 -4.973 -1.484 1.00 0.31 C ATOM 703 CG ASP A 820 9.535 -5.831 -1.189 1.00 0.96 C ATOM 704 OD1 ASP A 820 10.447 -5.899 -2.042 1.00 1.38 O ATOM 705 OD2 ASP A 820 9.582 -6.451 -0.107 1.00 1.73 O ATOM 0 H ASP A 820 6.669 -7.149 -0.895 1.00 0.22 H new ATOM 0 HA ASP A 820 6.699 -4.948 -2.882 1.00 0.24 H new ATOM 0 HB2 ASP A 820 8.631 -4.086 -2.032 1.00 0.31 H new ATOM 0 HB3 ASP A 820 7.888 -4.630 -0.542 1.00 0.31 H new ATOM 710 N GLU A 821 7.951 -6.320 -4.487 1.00 0.28 N ATOM 711 CA GLU A 821 8.432 -7.191 -5.559 1.00 0.38 C ATOM 712 C GLU A 821 7.620 -8.484 -5.642 1.00 0.85 C ATOM 713 O GLU A 821 8.103 -9.497 -6.154 1.00 0.63 O ATOM 714 CB GLU A 821 9.915 -7.513 -5.361 1.00 1.20 C ATOM 715 CG GLU A 821 10.784 -6.280 -5.192 1.00 1.63 C ATOM 716 CD GLU A 821 12.253 -6.611 -5.056 1.00 2.62 C ATOM 717 OE1 GLU A 821 12.627 -7.777 -5.301 1.00 3.04 O ATOM 718 OE2 GLU A 821 13.041 -5.716 -4.685 1.00 3.38 O ATOM 0 H GLU A 821 7.706 -5.381 -4.801 1.00 0.28 H new ATOM 0 HA GLU A 821 8.305 -6.655 -6.500 1.00 0.38 H new ATOM 0 HB2 GLU A 821 10.027 -8.150 -4.483 1.00 1.20 H new ATOM 0 HB3 GLU A 821 10.272 -8.085 -6.217 1.00 1.20 H new ATOM 0 HG2 GLU A 821 10.643 -5.622 -6.049 1.00 1.63 H new ATOM 0 HG3 GLU A 821 10.457 -5.729 -4.310 1.00 1.63 H new ATOM 725 N ASP A 822 6.374 -8.427 -5.167 1.00 1.90 N ATOM 726 CA ASP A 822 5.461 -9.573 -5.208 1.00 2.86 C ATOM 727 C ASP A 822 6.086 -10.808 -4.543 1.00 2.24 C ATOM 728 O ASP A 822 6.208 -11.868 -5.161 1.00 2.49 O ATOM 729 CB ASP A 822 5.057 -9.883 -6.659 1.00 3.96 C ATOM 730 CG ASP A 822 3.937 -10.908 -6.765 1.00 5.04 C ATOM 731 OD1 ASP A 822 2.824 -10.639 -6.260 1.00 5.63 O ATOM 732 OD2 ASP A 822 4.162 -11.991 -7.340 1.00 5.45 O ATOM 0 H ASP A 822 5.970 -7.591 -4.745 1.00 1.90 H new ATOM 0 HA ASP A 822 4.565 -9.311 -4.645 1.00 2.86 H new ATOM 0 HB2 ASP A 822 4.743 -8.960 -7.147 1.00 3.96 H new ATOM 0 HB3 ASP A 822 5.929 -10.250 -7.201 1.00 3.96 H new ATOM 737 N GLY A 823 6.578 -10.648 -3.316 1.00 1.39 N ATOM 738 CA GLY A 823 7.274 -11.750 -2.679 1.00 0.79 C ATOM 739 C GLY A 823 7.407 -11.637 -1.167 1.00 0.74 C ATOM 740 O GLY A 823 7.615 -12.649 -0.496 1.00 0.91 O ATOM 0 H GLY A 823 6.509 -9.794 -2.763 1.00 1.39 H new ATOM 0 HA2 GLY A 823 6.750 -12.676 -2.915 1.00 0.79 H new ATOM 0 HA3 GLY A 823 8.271 -11.829 -3.112 1.00 0.79 H new ATOM 744 N ASP A 824 7.391 -10.426 -0.631 1.00 0.55 N ATOM 745 CA ASP A 824 7.654 -10.221 0.802 1.00 0.53 C ATOM 746 C ASP A 824 6.533 -9.415 1.437 1.00 0.40 C ATOM 747 O ASP A 824 5.869 -8.652 0.753 1.00 0.32 O ATOM 748 CB ASP A 824 8.994 -9.509 1.007 1.00 0.61 C ATOM 749 CG ASP A 824 9.490 -9.564 2.446 1.00 0.97 C ATOM 750 OD1 ASP A 824 8.879 -10.287 3.262 1.00 1.47 O ATOM 751 OD2 ASP A 824 10.465 -8.859 2.783 1.00 1.42 O ATOM 0 H ASP A 824 7.201 -9.571 -1.154 1.00 0.55 H new ATOM 0 HA ASP A 824 7.701 -11.198 1.284 1.00 0.53 H new ATOM 0 HB2 ASP A 824 9.741 -9.961 0.355 1.00 0.61 H new ATOM 0 HB3 ASP A 824 8.894 -8.467 0.704 1.00 0.61 H new ATOM 756 N PHE A 825 6.244 -9.685 2.707 1.00 0.43 N ATOM 757 CA PHE A 825 5.083 -9.098 3.374 1.00 0.38 C ATOM 758 C PHE A 825 5.473 -8.367 4.650 1.00 0.40 C ATOM 759 O PHE A 825 6.179 -8.897 5.510 1.00 0.47 O ATOM 760 CB PHE A 825 4.067 -10.175 3.761 1.00 0.47 C ATOM 761 CG PHE A 825 3.023 -10.471 2.727 1.00 0.49 C ATOM 762 CD1 PHE A 825 3.271 -11.394 1.723 1.00 0.91 C ATOM 763 CD2 PHE A 825 1.822 -9.788 2.721 1.00 0.55 C ATOM 764 CE1 PHE A 825 2.339 -11.635 0.742 1.00 1.16 C ATOM 765 CE2 PHE A 825 0.882 -10.030 1.743 1.00 0.80 C ATOM 766 CZ PHE A 825 1.048 -11.084 0.880 1.00 1.04 C ATOM 0 H PHE A 825 6.798 -10.307 3.296 1.00 0.43 H new ATOM 0 HA PHE A 825 4.649 -8.397 2.661 1.00 0.38 H new ATOM 0 HB2 PHE A 825 4.606 -11.096 3.984 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.568 -9.867 4.680 1.00 0.47 H new ATOM 0 HD1 PHE A 825 4.208 -11.930 1.711 1.00 0.91 H new ATOM 0 HD2 PHE A 825 1.618 -9.058 3.490 1.00 0.55 H new ATOM 0 HE1 PHE A 825 2.591 -12.236 -0.119 1.00 1.16 H new ATOM 0 HE2 PHE A 825 0.016 -9.391 1.656 1.00 0.80 H new ATOM 0 HZ PHE A 825 0.213 -11.481 0.322 1.00 1.04 H new ATOM 776 N VAL A 826 4.963 -7.151 4.752 1.00 0.35 N ATOM 777 CA VAL A 826 5.189 -6.255 5.876 1.00 0.39 C ATOM 778 C VAL A 826 3.907 -5.456 6.096 1.00 0.31 C ATOM 779 O VAL A 826 3.144 -5.273 5.158 1.00 0.29 O ATOM 780 CB VAL A 826 6.362 -5.279 5.623 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.637 -4.425 6.853 1.00 1.35 C ATOM 782 CG2 VAL A 826 7.620 -6.020 5.200 1.00 0.95 C ATOM 0 H VAL A 826 4.362 -6.747 4.034 1.00 0.35 H new ATOM 0 HA VAL A 826 5.451 -6.850 6.751 1.00 0.39 H new ATOM 0 HB VAL A 826 6.067 -4.621 4.805 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.466 -3.748 6.648 1.00 1.35 H new ATOM 0 HG12 VAL A 826 5.748 -3.845 7.100 1.00 1.35 H new ATOM 0 HG13 VAL A 826 6.894 -5.070 7.693 1.00 1.35 H new ATOM 0 HG21 VAL A 826 8.424 -5.304 5.030 1.00 0.95 H new ATOM 0 HG22 VAL A 826 7.914 -6.716 5.985 1.00 0.95 H new ATOM 0 HG23 VAL A 826 7.425 -6.572 4.280 1.00 0.95 H new ATOM 792 N VAL A 827 3.601 -5.079 7.323 1.00 0.33 N ATOM 793 CA VAL A 827 2.321 -4.438 7.602 1.00 0.32 C ATOM 794 C VAL A 827 2.564 -3.087 8.257 1.00 0.35 C ATOM 795 O VAL A 827 3.590 -2.884 8.906 1.00 0.40 O ATOM 796 CB VAL A 827 1.436 -5.320 8.522 1.00 0.37 C ATOM 797 CG1 VAL A 827 1.979 -5.364 9.941 1.00 0.98 C ATOM 798 CG2 VAL A 827 -0.003 -4.837 8.528 1.00 1.22 C ATOM 0 H VAL A 827 4.208 -5.201 8.134 1.00 0.33 H new ATOM 0 HA VAL A 827 1.792 -4.302 6.659 1.00 0.32 H new ATOM 0 HB VAL A 827 1.460 -6.331 8.116 1.00 0.37 H new ATOM 0 HG11 VAL A 827 1.335 -5.990 10.558 1.00 0.98 H new ATOM 0 HG12 VAL A 827 2.987 -5.778 9.932 1.00 0.98 H new ATOM 0 HG13 VAL A 827 2.005 -4.355 10.352 1.00 0.98 H new ATOM 0 HG21 VAL A 827 -0.598 -5.475 9.181 1.00 1.22 H new ATOM 0 HG22 VAL A 827 -0.041 -3.810 8.891 1.00 1.22 H new ATOM 0 HG23 VAL A 827 -0.405 -4.879 7.516 1.00 1.22 H new ATOM 808 N LEU A 828 1.771 -2.103 7.854 1.00 0.34 N ATOM 809 CA LEU A 828 2.087 -0.721 8.169 1.00 0.38 C ATOM 810 C LEU A 828 0.925 0.016 8.815 1.00 0.44 C ATOM 811 O LEU A 828 -0.214 -0.453 8.824 1.00 0.48 O ATOM 812 CB LEU A 828 2.567 0.026 6.909 1.00 0.38 C ATOM 813 CG LEU A 828 1.776 -0.214 5.615 1.00 0.39 C ATOM 814 CD1 LEU A 828 0.377 0.363 5.704 1.00 1.03 C ATOM 815 CD2 LEU A 828 2.512 0.396 4.436 1.00 0.96 C ATOM 0 H LEU A 828 0.915 -2.235 7.315 1.00 0.34 H new ATOM 0 HA LEU A 828 2.894 -0.742 8.902 1.00 0.38 H new ATOM 0 HB2 LEU A 828 2.552 1.095 7.122 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.606 -0.248 6.727 1.00 0.38 H new ATOM 0 HG LEU A 828 1.687 -1.291 5.472 1.00 0.39 H new ATOM 0 HD11 LEU A 828 -0.154 0.175 4.771 1.00 1.03 H new ATOM 0 HD12 LEU A 828 -0.159 -0.108 6.528 1.00 1.03 H new ATOM 0 HD13 LEU A 828 0.437 1.438 5.877 1.00 1.03 H new ATOM 0 HD21 LEU A 828 1.944 0.221 3.522 1.00 0.96 H new ATOM 0 HD22 LEU A 828 2.625 1.469 4.593 1.00 0.96 H new ATOM 0 HD23 LEU A 828 3.496 -0.063 4.345 1.00 0.96 H new ATOM 827 N GLY A 829 1.265 1.131 9.435 1.00 0.53 N ATOM 828 CA GLY A 829 0.307 1.933 10.157 1.00 0.63 C ATOM 829 C GLY A 829 1.010 2.996 10.968 1.00 0.73 C ATOM 830 O GLY A 829 0.534 4.123 11.088 1.00 1.20 O ATOM 0 H GLY A 829 2.215 1.502 9.449 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -0.386 2.400 9.457 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.285 1.297 10.815 1.00 0.63 H new ATOM 834 N SER A 830 2.180 2.635 11.480 1.00 0.74 N ATOM 835 CA SER A 830 3.003 3.532 12.280 1.00 0.85 C ATOM 836 C SER A 830 3.652 4.614 11.417 1.00 0.98 C ATOM 837 O SER A 830 4.355 5.481 11.936 1.00 1.93 O ATOM 838 CB SER A 830 4.087 2.720 12.989 1.00 0.89 C ATOM 839 OG SER A 830 3.764 1.337 12.987 1.00 1.58 O ATOM 0 H SER A 830 2.586 1.708 11.351 1.00 0.74 H new ATOM 0 HA SER A 830 2.363 4.026 13.011 1.00 0.85 H new ATOM 0 HB2 SER A 830 5.046 2.875 12.494 1.00 0.89 H new ATOM 0 HB3 SER A 830 4.198 3.071 14.015 1.00 0.89 H new ATOM 0 HG SER A 830 4.432 0.846 12.465 1.00 1.58 H new ATOM 845 N ASP A 831 3.515 4.471 10.092 1.00 0.62 N ATOM 846 CA ASP A 831 4.150 5.361 9.104 1.00 0.62 C ATOM 847 C ASP A 831 5.628 5.023 8.934 1.00 0.58 C ATOM 848 O ASP A 831 6.141 5.018 7.819 1.00 0.97 O ATOM 849 CB ASP A 831 3.985 6.843 9.473 1.00 0.86 C ATOM 850 CG ASP A 831 4.616 7.772 8.452 1.00 1.20 C ATOM 851 OD1 ASP A 831 4.133 7.813 7.300 1.00 1.79 O ATOM 852 OD2 ASP A 831 5.601 8.460 8.793 1.00 1.74 O ATOM 0 H ASP A 831 2.956 3.729 9.670 1.00 0.62 H new ATOM 0 HA ASP A 831 3.639 5.196 8.155 1.00 0.62 H new ATOM 0 HB2 ASP A 831 2.924 7.075 9.563 1.00 0.86 H new ATOM 0 HB3 ASP A 831 4.435 7.023 10.449 1.00 0.86 H new ATOM 857 N GLU A 832 6.287 4.667 10.031 1.00 0.50 N ATOM 858 CA GLU A 832 7.688 4.250 9.997 1.00 0.44 C ATOM 859 C GLU A 832 7.864 3.051 9.070 1.00 0.34 C ATOM 860 O GLU A 832 8.771 3.020 8.236 1.00 0.34 O ATOM 861 CB GLU A 832 8.160 3.901 11.409 1.00 0.56 C ATOM 862 CG GLU A 832 8.009 5.047 12.397 1.00 1.41 C ATOM 863 CD GLU A 832 8.910 6.226 12.083 1.00 2.19 C ATOM 864 OE1 GLU A 832 8.748 6.823 11.001 1.00 2.93 O ATOM 865 OE2 GLU A 832 9.781 6.563 12.915 1.00 2.62 O ATOM 0 H GLU A 832 5.871 4.658 10.962 1.00 0.50 H new ATOM 0 HA GLU A 832 8.291 5.073 9.614 1.00 0.44 H new ATOM 0 HB2 GLU A 832 7.595 3.042 11.771 1.00 0.56 H new ATOM 0 HB3 GLU A 832 9.207 3.600 11.370 1.00 0.56 H new ATOM 0 HG2 GLU A 832 6.971 5.381 12.401 1.00 1.41 H new ATOM 0 HG3 GLU A 832 8.231 4.685 13.401 1.00 1.41 H new ATOM 872 N ASP A 833 6.906 2.135 9.148 1.00 0.32 N ATOM 873 CA ASP A 833 6.847 0.971 8.264 1.00 0.29 C ATOM 874 C ASP A 833 6.783 1.416 6.810 1.00 0.24 C ATOM 875 O ASP A 833 7.469 0.883 5.940 1.00 0.23 O ATOM 876 CB ASP A 833 5.602 0.130 8.569 1.00 0.38 C ATOM 877 CG ASP A 833 4.792 0.672 9.732 1.00 1.21 C ATOM 878 OD1 ASP A 833 5.068 0.293 10.889 1.00 2.14 O ATOM 879 OD2 ASP A 833 3.906 1.521 9.500 1.00 1.50 O ATOM 0 H ASP A 833 6.145 2.176 9.826 1.00 0.32 H new ATOM 0 HA ASP A 833 7.745 0.376 8.432 1.00 0.29 H new ATOM 0 HB2 ASP A 833 4.971 0.090 7.681 1.00 0.38 H new ATOM 0 HB3 ASP A 833 5.906 -0.893 8.791 1.00 0.38 H new ATOM 884 N TRP A 834 5.957 2.415 6.557 1.00 0.22 N ATOM 885 CA TRP A 834 5.805 2.946 5.220 1.00 0.20 C ATOM 886 C TRP A 834 7.089 3.631 4.763 1.00 0.19 C ATOM 887 O TRP A 834 7.521 3.454 3.627 1.00 0.18 O ATOM 888 CB TRP A 834 4.623 3.914 5.155 1.00 0.23 C ATOM 889 CG TRP A 834 4.432 4.506 3.797 1.00 0.22 C ATOM 890 CD1 TRP A 834 4.234 5.818 3.488 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.435 3.797 2.556 1.00 0.19 C ATOM 892 NE1 TRP A 834 4.110 5.966 2.129 1.00 0.26 N ATOM 893 CE2 TRP A 834 4.230 4.741 1.537 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.592 2.453 2.210 1.00 0.18 C ATOM 895 CZ2 TRP A 834 4.179 4.384 0.196 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.543 2.102 0.880 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.339 3.063 -0.110 1.00 0.19 C ATOM 0 H TRP A 834 5.381 2.874 7.263 1.00 0.22 H new ATOM 0 HA TRP A 834 5.603 2.115 4.544 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.714 3.390 5.449 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.776 4.716 5.877 1.00 0.23 H new ATOM 0 HD1 TRP A 834 4.182 6.623 4.206 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.954 6.848 1.641 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.749 1.703 2.972 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 4.019 5.123 -0.575 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.664 1.066 0.599 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.307 2.755 -1.145 1.00 0.19 H new ATOM 908 N ASN A 835 7.708 4.390 5.659 1.00 0.22 N ATOM 909 CA ASN A 835 8.943 5.096 5.339 1.00 0.25 C ATOM 910 C ASN A 835 10.032 4.128 4.893 1.00 0.21 C ATOM 911 O ASN A 835 10.667 4.340 3.858 1.00 0.21 O ATOM 912 CB ASN A 835 9.426 5.935 6.528 1.00 0.34 C ATOM 913 CG ASN A 835 8.576 7.176 6.737 1.00 1.15 C ATOM 914 OD1 ASN A 835 8.355 7.953 5.807 1.00 1.66 O ATOM 915 ND2 ASN A 835 8.113 7.386 7.959 1.00 2.00 N ATOM 0 H ASN A 835 7.375 4.533 6.613 1.00 0.22 H new ATOM 0 HA ASN A 835 8.728 5.771 4.511 1.00 0.25 H new ATOM 0 HB2 ASN A 835 9.406 5.326 7.432 1.00 0.34 H new ATOM 0 HB3 ASN A 835 10.463 6.230 6.365 1.00 0.34 H new ATOM 0 HD21 ASN A 835 7.552 8.215 8.156 1.00 2.00 H new ATOM 0 HD22 ASN A 835 8.317 6.719 8.703 1.00 2.00 H new ATOM 922 N VAL A 836 10.197 3.030 5.625 1.00 0.22 N ATOM 923 CA VAL A 836 11.186 2.027 5.246 1.00 0.25 C ATOM 924 C VAL A 836 10.793 1.343 3.935 1.00 0.19 C ATOM 925 O VAL A 836 11.651 1.093 3.089 1.00 0.19 O ATOM 926 CB VAL A 836 11.448 0.975 6.354 1.00 0.39 C ATOM 927 CG1 VAL A 836 11.862 1.661 7.642 1.00 1.36 C ATOM 928 CG2 VAL A 836 10.245 0.077 6.588 1.00 1.22 C ATOM 0 H VAL A 836 9.668 2.814 6.470 1.00 0.22 H new ATOM 0 HA VAL A 836 12.124 2.563 5.102 1.00 0.25 H new ATOM 0 HB VAL A 836 12.262 0.336 6.013 1.00 0.39 H new ATOM 0 HG11 VAL A 836 12.043 0.911 8.412 1.00 1.36 H new ATOM 0 HG12 VAL A 836 12.774 2.234 7.472 1.00 1.36 H new ATOM 0 HG13 VAL A 836 11.067 2.332 7.969 1.00 1.36 H new ATOM 0 HG21 VAL A 836 10.476 -0.644 7.373 1.00 1.22 H new ATOM 0 HG22 VAL A 836 9.392 0.684 6.892 1.00 1.22 H new ATOM 0 HG23 VAL A 836 10.003 -0.454 5.667 1.00 1.22 H new ATOM 938 N ALA A 837 9.490 1.123 3.728 1.00 0.16 N ATOM 939 CA ALA A 837 9.008 0.563 2.466 1.00 0.15 C ATOM 940 C ALA A 837 9.375 1.471 1.296 1.00 0.15 C ATOM 941 O ALA A 837 9.897 1.007 0.283 1.00 0.19 O ATOM 942 CB ALA A 837 7.502 0.346 2.500 1.00 0.17 C ATOM 0 H ALA A 837 8.759 1.322 4.411 1.00 0.16 H new ATOM 0 HA ALA A 837 9.493 -0.403 2.329 1.00 0.15 H new ATOM 0 HB1 ALA A 837 7.173 -0.071 1.548 1.00 0.17 H new ATOM 0 HB2 ALA A 837 7.252 -0.345 3.305 1.00 0.17 H new ATOM 0 HB3 ALA A 837 7.001 1.299 2.671 1.00 0.17 H new ATOM 948 N LYS A 838 9.115 2.766 1.451 1.00 0.14 N ATOM 949 CA LYS A 838 9.437 3.744 0.415 1.00 0.19 C ATOM 950 C LYS A 838 10.931 3.740 0.112 1.00 0.20 C ATOM 951 O LYS A 838 11.329 3.691 -1.051 1.00 0.24 O ATOM 952 CB LYS A 838 9.004 5.146 0.838 1.00 0.23 C ATOM 953 CG LYS A 838 7.538 5.242 1.201 1.00 0.23 C ATOM 954 CD LYS A 838 7.112 6.685 1.401 1.00 0.40 C ATOM 955 CE LYS A 838 7.720 7.285 2.657 1.00 0.49 C ATOM 956 NZ LYS A 838 7.246 8.675 2.899 1.00 1.22 N ATOM 0 H LYS A 838 8.682 3.163 2.285 1.00 0.14 H new ATOM 0 HA LYS A 838 8.892 3.463 -0.486 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.603 5.460 1.693 1.00 0.23 H new ATOM 0 HB3 LYS A 838 9.216 5.843 0.027 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.936 4.789 0.413 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.349 4.675 2.113 1.00 0.23 H new ATOM 0 HD2 LYS A 838 7.411 7.275 0.535 1.00 0.40 H new ATOM 0 HD3 LYS A 838 6.025 6.738 1.463 1.00 0.40 H new ATOM 0 HE2 LYS A 838 7.468 6.662 3.515 1.00 0.49 H new ATOM 0 HE3 LYS A 838 8.807 7.283 2.570 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 7.156 8.838 3.922 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 7.930 9.349 2.499 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 6.320 8.810 2.445 1.00 1.22 H new ATOM 970 N GLU A 839 11.747 3.709 1.165 1.00 0.21 N ATOM 971 CA GLU A 839 13.197 3.607 1.012 1.00 0.26 C ATOM 972 C GLU A 839 13.548 2.372 0.205 1.00 0.27 C ATOM 973 O GLU A 839 14.285 2.439 -0.776 1.00 0.31 O ATOM 974 CB GLU A 839 13.871 3.503 2.376 1.00 0.32 C ATOM 975 CG GLU A 839 13.723 4.746 3.239 1.00 0.47 C ATOM 976 CD GLU A 839 14.717 5.833 2.886 1.00 1.34 C ATOM 977 OE1 GLU A 839 15.579 5.599 2.014 1.00 2.22 O ATOM 978 OE2 GLU A 839 14.658 6.922 3.498 1.00 1.85 O ATOM 0 H GLU A 839 11.428 3.753 2.133 1.00 0.21 H new ATOM 0 HA GLU A 839 13.548 4.502 0.498 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.453 2.650 2.911 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.932 3.299 2.230 1.00 0.32 H new ATOM 0 HG2 GLU A 839 12.711 5.138 3.132 1.00 0.47 H new ATOM 0 HG3 GLU A 839 13.850 4.472 4.286 1.00 0.47 H new ATOM 985 N MET A 840 12.972 1.258 0.620 1.00 0.27 N ATOM 986 CA MET A 840 13.172 -0.028 -0.027 1.00 0.31 C ATOM 987 C MET A 840 12.865 0.049 -1.522 1.00 0.34 C ATOM 988 O MET A 840 13.701 -0.303 -2.350 1.00 0.40 O ATOM 989 CB MET A 840 12.269 -1.054 0.654 1.00 0.32 C ATOM 990 CG MET A 840 12.207 -2.406 -0.026 1.00 0.36 C ATOM 991 SD MET A 840 10.970 -3.471 0.734 1.00 0.76 S ATOM 992 CE MET A 840 9.499 -2.466 0.527 1.00 0.35 C ATOM 0 H MET A 840 12.346 1.219 1.424 1.00 0.27 H new ATOM 0 HA MET A 840 14.217 -0.324 0.071 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.614 -1.195 1.678 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.260 -0.646 0.710 1.00 0.32 H new ATOM 0 HG2 MET A 840 11.974 -2.273 -1.082 1.00 0.36 H new ATOM 0 HG3 MET A 840 13.184 -2.886 0.027 1.00 0.36 H new ATOM 0 HE1 MET A 840 9.123 -2.166 1.505 1.00 0.35 H new ATOM 0 HE2 MET A 840 9.744 -1.578 -0.056 1.00 0.35 H new ATOM 0 HE3 MET A 840 8.735 -3.043 0.006 1.00 0.35 H new ATOM 1002 N LEU A 841 11.689 0.563 -1.858 1.00 0.30 N ATOM 1003 CA LEU A 841 11.278 0.716 -3.249 1.00 0.35 C ATOM 1004 C LEU A 841 12.238 1.630 -4.006 1.00 0.39 C ATOM 1005 O LEU A 841 12.585 1.357 -5.155 1.00 0.50 O ATOM 1006 CB LEU A 841 9.862 1.294 -3.315 1.00 0.33 C ATOM 1007 CG LEU A 841 8.795 0.508 -2.551 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.467 1.242 -2.589 1.00 0.62 C ATOM 1009 CD2 LEU A 841 8.641 -0.889 -3.124 1.00 0.62 C ATOM 0 H LEU A 841 10.997 0.884 -1.180 1.00 0.30 H new ATOM 0 HA LEU A 841 11.294 -0.268 -3.717 1.00 0.35 H new ATOM 0 HB2 LEU A 841 9.885 2.313 -2.928 1.00 0.33 H new ATOM 0 HB3 LEU A 841 9.562 1.358 -4.361 1.00 0.33 H new ATOM 0 HG LEU A 841 9.116 0.419 -1.513 1.00 0.35 H new ATOM 0 HD11 LEU A 841 6.719 0.669 -2.041 1.00 0.62 H new ATOM 0 HD12 LEU A 841 7.581 2.224 -2.130 1.00 0.62 H new ATOM 0 HD13 LEU A 841 7.146 1.361 -3.624 1.00 0.62 H new ATOM 0 HD21 LEU A 841 7.877 -1.429 -2.565 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.345 -0.822 -4.171 1.00 0.62 H new ATOM 0 HD23 LEU A 841 9.590 -1.420 -3.048 1.00 0.62 H new ATOM 1021 N ALA A 842 12.626 2.733 -3.372 1.00 0.36 N ATOM 1022 CA ALA A 842 13.491 3.723 -4.005 1.00 0.44 C ATOM 1023 C ALA A 842 14.897 3.180 -4.252 1.00 0.52 C ATOM 1024 O ALA A 842 15.431 3.319 -5.352 1.00 0.61 O ATOM 1025 CB ALA A 842 13.553 4.985 -3.159 1.00 0.47 C ATOM 0 H ALA A 842 12.354 2.964 -2.417 1.00 0.36 H new ATOM 0 HA ALA A 842 13.059 3.962 -4.977 1.00 0.44 H new ATOM 0 HB1 ALA A 842 14.202 5.716 -3.642 1.00 0.47 H new ATOM 0 HB2 ALA A 842 12.551 5.402 -3.054 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.950 4.743 -2.173 1.00 0.47 H new ATOM 1031 N GLU A 843 15.496 2.583 -3.224 1.00 0.53 N ATOM 1032 CA GLU A 843 16.849 2.038 -3.331 1.00 0.66 C ATOM 1033 C GLU A 843 16.881 0.901 -4.340 1.00 0.71 C ATOM 1034 O GLU A 843 17.769 0.823 -5.184 1.00 0.81 O ATOM 1035 CB GLU A 843 17.330 1.524 -1.976 1.00 0.71 C ATOM 1036 CG GLU A 843 17.307 2.571 -0.879 1.00 1.45 C ATOM 1037 CD GLU A 843 17.808 2.033 0.442 1.00 2.11 C ATOM 1038 OE1 GLU A 843 17.297 0.986 0.892 1.00 2.92 O ATOM 1039 OE2 GLU A 843 18.718 2.643 1.036 1.00 2.43 O ATOM 0 H GLU A 843 15.066 2.464 -2.307 1.00 0.53 H new ATOM 0 HA GLU A 843 17.511 2.837 -3.665 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.706 0.683 -1.675 1.00 0.71 H new ATOM 0 HB3 GLU A 843 18.346 1.145 -2.082 1.00 0.71 H new ATOM 0 HG2 GLU A 843 17.921 3.421 -1.178 1.00 1.45 H new ATOM 0 HG3 GLU A 843 16.289 2.941 -0.755 1.00 1.45 H new ATOM 1046 N ASN A 844 15.880 0.040 -4.248 1.00 0.67 N ATOM 1047 CA ASN A 844 15.725 -1.087 -5.162 1.00 0.80 C ATOM 1048 C ASN A 844 15.446 -0.609 -6.582 1.00 0.79 C ATOM 1049 O ASN A 844 15.798 -1.287 -7.548 1.00 1.11 O ATOM 1050 CB ASN A 844 14.626 -2.029 -4.677 1.00 0.85 C ATOM 1051 CG ASN A 844 15.140 -3.006 -3.635 1.00 0.97 C ATOM 1052 OD1 ASN A 844 15.848 -3.960 -3.957 1.00 1.53 O ATOM 1053 ND2 ASN A 844 14.835 -2.749 -2.371 1.00 1.15 N ATOM 0 H ASN A 844 15.150 0.100 -3.538 1.00 0.67 H new ATOM 0 HA ASN A 844 16.664 -1.640 -5.177 1.00 0.80 H new ATOM 0 HB2 ASN A 844 13.807 -1.446 -4.256 1.00 0.85 H new ATOM 0 HB3 ASN A 844 14.221 -2.582 -5.525 1.00 0.85 H new ATOM 0 HD21 ASN A 844 15.190 -3.351 -1.628 1.00 1.15 H new ATOM 0 HD22 ASN A 844 14.245 -1.949 -2.141 1.00 1.15 H new ATOM 1060 N ASN A 845 14.713 0.508 -6.689 1.00 0.62 N ATOM 1061 CA ASN A 845 14.286 1.084 -7.979 1.00 0.71 C ATOM 1062 C ASN A 845 13.206 0.215 -8.580 1.00 0.61 C ATOM 1063 O ASN A 845 12.995 0.193 -9.795 1.00 0.71 O ATOM 1064 CB ASN A 845 15.438 1.194 -8.988 1.00 0.92 C ATOM 1065 CG ASN A 845 16.733 1.675 -8.382 1.00 1.38 C ATOM 1066 OD1 ASN A 845 16.901 2.854 -8.075 1.00 1.90 O ATOM 1067 ND2 ASN A 845 17.635 0.737 -8.160 1.00 1.48 N ATOM 0 H ASN A 845 14.396 1.043 -5.880 1.00 0.62 H new ATOM 0 HA ASN A 845 13.920 2.090 -7.775 1.00 0.71 H new ATOM 0 HB2 ASN A 845 15.602 0.219 -9.446 1.00 0.92 H new ATOM 0 HB3 ASN A 845 15.146 1.876 -9.786 1.00 0.92 H new ATOM 0 HD21 ASN A 845 18.521 0.976 -7.714 1.00 1.48 H new ATOM 0 HD22 ASN A 845 17.446 -0.227 -8.434 1.00 1.48 H new ATOM 1074 N GLU A 846 12.591 -0.570 -7.723 1.00 0.55 N ATOM 1075 CA GLU A 846 11.616 -1.540 -8.147 1.00 0.63 C ATOM 1076 C GLU A 846 10.218 -0.952 -8.055 1.00 0.73 C ATOM 1077 O GLU A 846 9.461 -0.990 -9.024 1.00 1.49 O ATOM 1078 CB GLU A 846 11.771 -2.787 -7.290 1.00 0.77 C ATOM 1079 CG GLU A 846 10.859 -3.937 -7.705 1.00 1.40 C ATOM 1080 CD GLU A 846 11.089 -4.405 -9.132 1.00 2.19 C ATOM 1081 OE1 GLU A 846 12.061 -3.941 -9.763 1.00 2.54 O ATOM 1082 OE2 GLU A 846 10.302 -5.236 -9.632 1.00 2.97 O ATOM 0 H GLU A 846 12.755 -0.551 -6.716 1.00 0.55 H new ATOM 0 HA GLU A 846 11.776 -1.814 -9.190 1.00 0.63 H new ATOM 0 HB2 GLU A 846 12.807 -3.122 -7.337 1.00 0.77 H new ATOM 0 HB3 GLU A 846 11.566 -2.530 -6.251 1.00 0.77 H new ATOM 0 HG2 GLU A 846 11.013 -4.776 -7.026 1.00 1.40 H new ATOM 0 HG3 GLU A 846 9.820 -3.625 -7.596 1.00 1.40 H new ATOM 1089 N LYS A 847 9.950 -0.289 -6.931 1.00 0.42 N ATOM 1090 CA LYS A 847 8.728 0.498 -6.737 1.00 0.37 C ATOM 1091 C LYS A 847 7.461 -0.363 -6.638 1.00 0.35 C ATOM 1092 O LYS A 847 6.426 0.122 -6.178 1.00 0.44 O ATOM 1093 CB LYS A 847 8.594 1.536 -7.861 1.00 0.44 C ATOM 1094 CG LYS A 847 7.443 2.515 -7.683 1.00 0.63 C ATOM 1095 CD LYS A 847 7.452 3.580 -8.767 1.00 1.29 C ATOM 1096 CE LYS A 847 8.720 4.418 -8.719 1.00 1.80 C ATOM 1097 NZ LYS A 847 8.845 5.299 -9.907 1.00 2.40 N ATOM 0 H LYS A 847 10.575 -0.281 -6.125 1.00 0.42 H new ATOM 0 HA LYS A 847 8.823 1.005 -5.777 1.00 0.37 H new ATOM 0 HB2 LYS A 847 9.525 2.099 -7.931 1.00 0.44 H new ATOM 0 HB3 LYS A 847 8.466 1.012 -8.808 1.00 0.44 H new ATOM 0 HG2 LYS A 847 6.496 1.975 -7.708 1.00 0.63 H new ATOM 0 HG3 LYS A 847 7.514 2.989 -6.704 1.00 0.63 H new ATOM 0 HD2 LYS A 847 7.366 3.106 -9.745 1.00 1.29 H new ATOM 0 HD3 LYS A 847 6.583 4.227 -8.649 1.00 1.29 H new ATOM 0 HE2 LYS A 847 8.720 5.026 -7.814 1.00 1.80 H new ATOM 0 HE3 LYS A 847 9.588 3.761 -8.661 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 9.722 5.854 -9.837 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 8.871 4.718 -10.769 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 8.030 5.944 -9.949 1.00 2.40 H new ATOM 1111 N PHE A 848 7.513 -1.609 -7.112 1.00 0.32 N ATOM 1112 CA PHE A 848 6.326 -2.458 -7.102 1.00 0.30 C ATOM 1113 C PHE A 848 5.846 -2.678 -5.683 1.00 0.24 C ATOM 1114 O PHE A 848 6.578 -3.208 -4.842 1.00 0.21 O ATOM 1115 CB PHE A 848 6.580 -3.823 -7.746 1.00 0.31 C ATOM 1116 CG PHE A 848 5.364 -4.371 -8.450 1.00 0.35 C ATOM 1117 CD1 PHE A 848 4.996 -3.945 -9.729 1.00 0.46 C ATOM 1118 CD2 PHE A 848 4.594 -5.343 -7.832 1.00 0.35 C ATOM 1119 CE1 PHE A 848 3.887 -4.480 -10.353 1.00 0.54 C ATOM 1120 CE2 PHE A 848 3.488 -5.879 -8.459 1.00 0.42 C ATOM 1121 CZ PHE A 848 3.107 -5.316 -9.773 1.00 0.52 C ATOM 0 H PHE A 848 8.349 -2.045 -7.501 1.00 0.32 H new ATOM 0 HA PHE A 848 5.567 -1.936 -7.686 1.00 0.30 H new ATOM 0 HB2 PHE A 848 7.399 -3.736 -8.460 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.899 -4.528 -6.979 1.00 0.31 H new ATOM 0 HD1 PHE A 848 5.583 -3.192 -10.233 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.864 -5.686 -6.844 1.00 0.35 H new ATOM 0 HE1 PHE A 848 3.668 -4.183 -11.368 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.921 -6.680 -8.007 1.00 0.42 H new ATOM 0 HZ PHE A 848 2.178 -5.607 -10.241 1.00 0.52 H new ATOM 1131 N LEU A 849 4.592 -2.349 -5.450 1.00 0.22 N ATOM 1132 CA LEU A 849 3.993 -2.530 -4.154 1.00 0.18 C ATOM 1133 C LEU A 849 2.690 -3.297 -4.291 1.00 0.17 C ATOM 1134 O LEU A 849 1.945 -3.128 -5.259 1.00 0.19 O ATOM 1135 CB LEU A 849 3.736 -1.177 -3.490 1.00 0.20 C ATOM 1136 CG LEU A 849 3.425 -1.239 -2.000 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.627 -1.758 -1.229 1.00 0.56 C ATOM 1138 CD2 LEU A 849 3.025 0.130 -1.499 1.00 0.55 C ATOM 0 H LEU A 849 3.967 -1.952 -6.152 1.00 0.22 H new ATOM 0 HA LEU A 849 4.680 -3.099 -3.528 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.612 -0.545 -3.637 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.904 -0.692 -4.000 1.00 0.20 H new ATOM 0 HG LEU A 849 2.594 -1.927 -1.842 1.00 0.24 H new ATOM 0 HD11 LEU A 849 4.389 -1.796 -0.166 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.880 -2.758 -1.580 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.476 -1.092 -1.387 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.804 0.077 -0.433 1.00 0.55 H new ATOM 0 HD22 LEU A 849 3.842 0.832 -1.666 1.00 0.55 H new ATOM 0 HD23 LEU A 849 2.140 0.470 -2.036 1.00 0.55 H new ATOM 1150 N ASN A 850 2.462 -4.185 -3.357 1.00 0.16 N ATOM 1151 CA ASN A 850 1.292 -5.032 -3.369 1.00 0.17 C ATOM 1152 C ASN A 850 0.627 -4.911 -2.012 1.00 0.17 C ATOM 1153 O ASN A 850 1.296 -4.608 -1.031 1.00 0.16 O ATOM 1154 CB ASN A 850 1.670 -6.497 -3.647 1.00 0.19 C ATOM 1155 CG ASN A 850 2.767 -6.657 -4.695 1.00 0.34 C ATOM 1156 OD1 ASN A 850 3.923 -6.306 -4.467 1.00 0.96 O ATOM 1157 ND2 ASN A 850 2.428 -7.225 -5.836 1.00 0.45 N ATOM 0 H ASN A 850 3.083 -4.343 -2.564 1.00 0.16 H new ATOM 0 HA ASN A 850 0.614 -4.718 -4.163 1.00 0.17 H new ATOM 0 HB2 ASN A 850 1.997 -6.962 -2.717 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.782 -7.036 -3.977 1.00 0.19 H new ATOM 0 HD21 ASN A 850 3.133 -7.383 -6.556 1.00 0.45 H new ATOM 0 HD22 ASN A 850 1.461 -7.506 -5.998 1.00 0.45 H new ATOM 1164 N ILE A 851 -0.687 -4.982 -1.965 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.397 -4.734 -0.720 1.00 0.21 C ATOM 1166 C ILE A 851 -2.316 -5.893 -0.423 1.00 0.24 C ATOM 1167 O ILE A 851 -3.136 -6.279 -1.254 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.277 -3.457 -0.759 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -1.798 -2.450 -1.801 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.324 -2.795 0.608 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.436 -1.840 -1.521 1.00 0.28 C ATOM 0 H ILE A 851 -1.282 -5.206 -2.762 1.00 0.18 H new ATOM 0 HA ILE A 851 -0.629 -4.605 0.043 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.279 -3.778 -1.044 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -1.767 -2.942 -2.773 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.532 -1.647 -1.873 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -2.946 -1.901 0.558 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -2.745 -3.490 1.335 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.315 -2.518 0.913 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.182 -1.138 -2.315 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.462 -1.314 -0.566 1.00 0.28 H new ATOM 0 HD13 ILE A 851 0.315 -2.629 -1.480 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.196 -6.424 0.773 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.060 -7.482 1.210 1.00 0.37 C ATOM 1185 C ARG A 852 -4.050 -6.963 2.227 1.00 0.39 C ATOM 1186 O ARG A 852 -3.670 -6.410 3.262 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.261 -8.613 1.811 1.00 0.46 C ATOM 1188 CG ARG A 852 -3.107 -9.753 2.351 1.00 0.60 C ATOM 1189 CD ARG A 852 -2.255 -10.706 3.162 1.00 0.70 C ATOM 1190 NE ARG A 852 -3.054 -11.565 4.031 1.00 1.27 N ATOM 1191 CZ ARG A 852 -2.555 -12.278 5.042 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -1.246 -12.325 5.255 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -3.365 -12.972 5.822 1.00 2.38 N ATOM 0 H ARG A 852 -1.501 -6.133 1.461 1.00 0.30 H new ATOM 0 HA ARG A 852 -3.600 -7.858 0.341 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -1.582 -9.006 1.054 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -1.644 -8.219 2.619 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -3.910 -9.356 2.972 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -3.577 -10.288 1.526 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -1.664 -11.325 2.487 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -1.552 -10.135 3.768 1.00 0.70 H new ATOM 0 HE ARG A 852 -4.057 -11.624 3.854 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -0.611 -11.813 4.643 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -0.875 -12.873 6.031 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -4.370 -12.962 5.651 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -2.985 -13.518 6.595 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.303 -7.225 1.967 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.356 -6.889 2.889 1.00 0.54 C ATOM 1209 C LEU A 853 -6.798 -8.164 3.589 1.00 0.63 C ATOM 1210 O LEU A 853 -6.810 -9.232 2.970 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.516 -6.270 2.145 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.272 -4.923 1.443 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -6.592 -3.938 2.371 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -6.465 -5.101 0.162 1.00 1.56 C ATOM 0 H LEU A 853 -5.623 -7.677 1.111 1.00 0.46 H new ATOM 0 HA LEU A 853 -5.999 -6.166 3.623 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -7.854 -6.984 1.394 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.336 -6.138 2.851 1.00 0.71 H new ATOM 0 HG LEU A 853 -8.246 -4.517 1.171 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -6.432 -2.995 1.847 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -7.222 -3.766 3.244 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -5.632 -4.343 2.691 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -6.311 -4.130 -0.309 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -5.499 -5.547 0.399 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -7.007 -5.754 -0.522 1.00 1.56 H new ATOM 1226 N TYR A 854 -7.025 -8.094 4.886 1.00 0.99 N ATOM 1227 CA TYR A 854 -7.312 -9.287 5.661 1.00 1.08 C ATOM 1228 C TYR A 854 -8.002 -8.914 6.964 1.00 1.25 C ATOM 1229 O TYR A 854 -8.994 -9.578 7.330 1.00 1.67 O ATOM 1230 CB TYR A 854 -6.006 -10.057 5.934 1.00 0.91 C ATOM 1231 CG TYR A 854 -5.012 -9.292 6.775 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -4.264 -8.254 6.235 1.00 0.90 C ATOM 1233 CD2 TYR A 854 -4.805 -9.626 8.106 1.00 0.88 C ATOM 1234 CE1 TYR A 854 -3.340 -7.570 7.000 1.00 0.86 C ATOM 1235 CE2 TYR A 854 -3.887 -8.949 8.874 1.00 0.93 C ATOM 1236 CZ TYR A 854 -3.212 -7.852 8.321 1.00 0.79 C ATOM 1237 OH TYR A 854 -2.238 -7.248 9.090 1.00 0.92 O ATOM 1238 OXT TYR A 854 -7.559 -7.944 7.609 1.00 1.77 O ATOM 0 H TYR A 854 -7.017 -7.228 5.424 1.00 0.99 H new ATOM 0 HA TYR A 854 -7.984 -9.931 5.094 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -6.246 -10.995 6.435 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -5.541 -10.314 4.982 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -4.407 -7.977 5.201 1.00 0.90 H new ATOM 0 HD2 TYR A 854 -5.375 -10.431 8.546 1.00 0.88 H new ATOM 0 HE1 TYR A 854 -2.720 -6.811 6.547 1.00 0.86 H new ATOM 0 HE2 TYR A 854 -3.689 -9.258 9.890 1.00 0.93 H new ATOM 0 HH TYR A 854 -2.301 -7.574 10.012 1.00 0.92 H new TER 1248 TYR A 854