USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 359 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 Single : A 677 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 691 SER OG : rot 180:sc= 0 USER MOD Single : A 703 SER OG : rot 77:sc= 0.327 USER MOD Single : A 706 ASN : amide:sc= -0.329 K(o=-0.33,f=-0.96) USER MOD Single : A 710 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 713 SER OG : rot 100:sc= 0.242 USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 677 -1.989 -6.347 -13.062 1.00 0.00 N ATOM 2 CA ASN A 677 -1.405 -7.554 -13.713 1.00 0.00 C ATOM 3 C ASN A 677 0.084 -7.631 -13.390 1.00 0.00 C ATOM 4 O ASN A 677 0.581 -8.670 -12.962 1.00 0.00 O ATOM 5 CB ASN A 677 -1.606 -7.461 -15.227 1.00 0.00 C ATOM 6 CG ASN A 677 -3.092 -7.354 -15.550 1.00 0.00 C ATOM 7 OD1 ASN A 677 -3.906 -8.085 -14.985 1.00 0.00 O ATOM 8 ND2 ASN A 677 -3.497 -6.481 -16.431 1.00 0.00 N ATOM 0 HA ASN A 677 -1.900 -8.451 -13.340 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -1.077 -6.593 -15.620 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -1.182 -8.340 -15.713 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -4.490 -6.403 -16.653 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -2.821 -5.876 -16.898 1.00 0.00 H new ATOM 17 N TRP A 678 0.794 -6.535 -13.628 1.00 0.00 N ATOM 18 CA TRP A 678 2.233 -6.501 -13.390 1.00 0.00 C ATOM 19 C TRP A 678 2.546 -6.869 -11.945 1.00 0.00 C ATOM 20 O TRP A 678 3.472 -7.634 -11.677 1.00 0.00 O ATOM 21 CB TRP A 678 2.779 -5.103 -13.692 1.00 0.00 C ATOM 22 CG TRP A 678 2.770 -4.872 -15.169 1.00 0.00 C ATOM 23 CD1 TRP A 678 3.818 -5.093 -15.996 1.00 0.00 C ATOM 24 CD2 TRP A 678 1.684 -4.376 -16.005 1.00 0.00 C ATOM 25 NE1 TRP A 678 3.443 -4.768 -17.287 1.00 0.00 N ATOM 26 CE2 TRP A 678 2.138 -4.320 -17.345 1.00 0.00 C ATOM 27 CE3 TRP A 678 0.364 -3.976 -15.735 1.00 0.00 C ATOM 28 CZ2 TRP A 678 1.310 -3.882 -18.379 1.00 0.00 C ATOM 29 CZ3 TRP A 678 -0.471 -3.533 -16.774 1.00 0.00 C ATOM 30 CH2 TRP A 678 0.001 -3.486 -18.094 1.00 0.00 C ATOM 0 H TRP A 678 0.401 -5.663 -13.983 1.00 0.00 H new ATOM 0 HA TRP A 678 2.708 -7.228 -14.049 1.00 0.00 H new ATOM 0 HB2 TRP A 678 2.172 -4.348 -13.192 1.00 0.00 H new ATOM 0 HB3 TRP A 678 3.793 -5.005 -13.304 1.00 0.00 H new ATOM 0 HD1 TRP A 678 4.788 -5.462 -15.697 1.00 0.00 H new ATOM 0 HE1 TRP A 678 4.056 -4.849 -18.098 1.00 0.00 H new ATOM 0 HE3 TRP A 678 -0.011 -4.009 -14.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 678 1.679 -3.849 -19.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 678 -1.483 -3.227 -16.555 1.00 0.00 H new ATOM 0 HH2 TRP A 678 -0.646 -3.144 -18.888 1.00 0.00 H new ATOM 41 N LEU A 679 1.768 -6.321 -11.017 1.00 0.00 N ATOM 42 CA LEU A 679 1.973 -6.600 -9.600 1.00 0.00 C ATOM 43 C LEU A 679 2.090 -8.101 -9.361 1.00 0.00 C ATOM 44 O LEU A 679 2.758 -8.538 -8.426 1.00 0.00 O ATOM 45 CB LEU A 679 0.796 -6.042 -8.791 1.00 0.00 C ATOM 46 CG LEU A 679 1.007 -6.310 -7.296 1.00 0.00 C ATOM 47 CD1 LEU A 679 2.257 -5.578 -6.807 1.00 0.00 C ATOM 48 CD2 LEU A 679 -0.212 -5.812 -6.517 1.00 0.00 C ATOM 0 H LEU A 679 0.996 -5.686 -11.218 1.00 0.00 H new ATOM 0 HA LEU A 679 2.899 -6.122 -9.280 1.00 0.00 H new ATOM 0 HB2 LEU A 679 0.701 -4.970 -8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -0.134 -6.503 -9.123 1.00 0.00 H new ATOM 0 HG LEU A 679 1.135 -7.381 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 679 2.400 -5.773 -5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 679 3.126 -5.932 -7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 679 2.137 -4.506 -6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -0.066 -6.001 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -0.337 -4.742 -6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -1.103 -6.338 -6.860 1.00 0.00 H new ATOM 60 N TRP A 680 1.437 -8.885 -10.212 1.00 0.00 N ATOM 61 CA TRP A 680 1.477 -10.336 -10.084 1.00 0.00 C ATOM 62 C TRP A 680 2.918 -10.837 -10.107 1.00 0.00 C ATOM 63 O TRP A 680 3.332 -11.610 -9.243 1.00 0.00 O ATOM 64 CB TRP A 680 0.694 -10.990 -11.225 1.00 0.00 C ATOM 65 CG TRP A 680 0.702 -12.474 -11.047 1.00 0.00 C ATOM 66 CD1 TRP A 680 1.451 -13.339 -11.770 1.00 0.00 C ATOM 67 CD2 TRP A 680 -0.058 -13.282 -10.102 1.00 0.00 C ATOM 68 NE1 TRP A 680 1.199 -14.625 -11.329 1.00 0.00 N ATOM 69 CE2 TRP A 680 0.276 -14.643 -10.302 1.00 0.00 C ATOM 70 CE3 TRP A 680 -0.994 -12.969 -9.101 1.00 0.00 C ATOM 71 CZ2 TRP A 680 -0.299 -15.656 -9.535 1.00 0.00 C ATOM 72 CZ3 TRP A 680 -1.575 -13.987 -8.327 1.00 0.00 C ATOM 73 CH2 TRP A 680 -1.228 -15.328 -8.544 1.00 0.00 C ATOM 0 H TRP A 680 0.877 -8.542 -10.993 1.00 0.00 H new ATOM 0 HA TRP A 680 1.022 -10.606 -9.131 1.00 0.00 H new ATOM 0 HB2 TRP A 680 -0.331 -10.620 -11.236 1.00 0.00 H new ATOM 0 HB3 TRP A 680 1.139 -10.725 -12.184 1.00 0.00 H new ATOM 0 HD1 TRP A 680 2.134 -13.069 -12.562 1.00 0.00 H new ATOM 0 HE1 TRP A 680 1.641 -15.459 -11.715 1.00 0.00 H new ATOM 0 HE3 TRP A 680 -1.268 -11.939 -8.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 680 -0.028 -16.687 -9.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 680 -2.293 -13.735 -7.560 1.00 0.00 H new ATOM 0 HH2 TRP A 680 -1.678 -16.107 -7.946 1.00 0.00 H new ATOM 84 N TYR A 681 3.679 -10.390 -11.103 1.00 0.00 N ATOM 85 CA TYR A 681 5.071 -10.797 -11.229 1.00 0.00 C ATOM 86 C TYR A 681 5.907 -10.230 -10.084 1.00 0.00 C ATOM 87 O TYR A 681 6.838 -10.876 -9.603 1.00 0.00 O ATOM 88 CB TYR A 681 5.639 -10.312 -12.565 1.00 0.00 C ATOM 89 CG TYR A 681 7.029 -10.871 -12.755 1.00 0.00 C ATOM 90 CD1 TYR A 681 7.200 -12.181 -13.214 1.00 0.00 C ATOM 91 CD2 TYR A 681 8.148 -10.077 -12.470 1.00 0.00 C ATOM 92 CE1 TYR A 681 8.489 -12.700 -13.390 1.00 0.00 C ATOM 93 CE2 TYR A 681 9.436 -10.595 -12.645 1.00 0.00 C ATOM 94 CZ TYR A 681 9.607 -11.906 -13.105 1.00 0.00 C ATOM 95 OH TYR A 681 10.877 -12.417 -13.279 1.00 0.00 O ATOM 0 H TYR A 681 3.356 -9.750 -11.829 1.00 0.00 H new ATOM 0 HA TYR A 681 5.113 -11.885 -11.188 1.00 0.00 H new ATOM 0 HB2 TYR A 681 4.993 -10.630 -13.383 1.00 0.00 H new ATOM 0 HB3 TYR A 681 5.668 -9.223 -12.586 1.00 0.00 H new ATOM 0 HD1 TYR A 681 6.337 -12.793 -13.433 1.00 0.00 H new ATOM 0 HD2 TYR A 681 8.016 -9.065 -12.115 1.00 0.00 H new ATOM 0 HE1 TYR A 681 8.621 -13.711 -13.745 1.00 0.00 H new ATOM 0 HE2 TYR A 681 10.298 -9.983 -12.425 1.00 0.00 H new ATOM 0 HH TYR A 681 11.539 -11.736 -13.037 1.00 0.00 H new ATOM 105 N ILE A 682 5.565 -9.019 -9.653 1.00 0.00 N ATOM 106 CA ILE A 682 6.290 -8.375 -8.564 1.00 0.00 C ATOM 107 C ILE A 682 6.141 -9.180 -7.276 1.00 0.00 C ATOM 108 O ILE A 682 7.108 -9.379 -6.542 1.00 0.00 O ATOM 109 CB ILE A 682 5.753 -6.957 -8.346 1.00 0.00 C ATOM 110 CG1 ILE A 682 6.111 -6.060 -9.544 1.00 0.00 C ATOM 111 CG2 ILE A 682 6.358 -6.373 -7.068 1.00 0.00 C ATOM 112 CD1 ILE A 682 7.610 -5.724 -9.549 1.00 0.00 C ATOM 0 H ILE A 682 4.797 -8.469 -10.038 1.00 0.00 H new ATOM 0 HA ILE A 682 7.346 -8.326 -8.831 1.00 0.00 H new ATOM 0 HB ILE A 682 4.668 -7.000 -8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 682 5.844 -6.564 -10.473 1.00 0.00 H new ATOM 0 HG13 ILE A 682 5.528 -5.140 -9.501 1.00 0.00 H new ATOM 0 HG21 ILE A 682 5.976 -5.364 -6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 682 6.086 -6.999 -6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 682 7.443 -6.340 -7.162 1.00 0.00 H new ATOM 0 HD11 ILE A 682 7.838 -5.089 -10.405 1.00 0.00 H new ATOM 0 HD12 ILE A 682 7.868 -5.199 -8.629 1.00 0.00 H new ATOM 0 HD13 ILE A 682 8.189 -6.645 -9.616 1.00 0.00 H new ATOM 124 N ARG A 683 4.923 -9.641 -7.011 1.00 0.00 N ATOM 125 CA ARG A 683 4.658 -10.423 -5.809 1.00 0.00 C ATOM 126 C ARG A 683 5.470 -11.715 -5.822 1.00 0.00 C ATOM 127 O ARG A 683 6.067 -12.094 -4.813 1.00 0.00 O ATOM 128 CB ARG A 683 3.168 -10.758 -5.721 1.00 0.00 C ATOM 129 CG ARG A 683 2.898 -11.556 -4.444 1.00 0.00 C ATOM 130 CD ARG A 683 1.391 -11.758 -4.277 1.00 0.00 C ATOM 131 NE ARG A 683 0.735 -10.480 -4.017 1.00 0.00 N ATOM 132 CZ ARG A 683 -0.590 -10.381 -3.909 1.00 0.00 C ATOM 133 NH1 ARG A 683 -1.355 -11.437 -4.031 1.00 0.00 N ATOM 134 NH2 ARG A 683 -1.134 -9.217 -3.678 1.00 0.00 N ATOM 0 H ARG A 683 4.110 -9.488 -7.607 1.00 0.00 H new ATOM 0 HA ARG A 683 4.949 -9.831 -4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 683 2.578 -9.842 -5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 683 2.862 -11.334 -6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 683 3.402 -12.521 -4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 683 3.303 -11.028 -3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 683 0.976 -12.211 -5.177 1.00 0.00 H new ATOM 0 HD3 ARG A 683 1.198 -12.447 -3.455 1.00 0.00 H new ATOM 0 HE ARG A 683 1.306 -9.641 -3.915 1.00 0.00 H new ATOM 0 HH11 ARG A 683 -0.938 -12.350 -4.211 1.00 0.00 H new ATOM 0 HH12 ARG A 683 -2.367 -11.346 -3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 683 -0.546 -8.389 -3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 683 -2.147 -9.135 -3.594 1.00 0.00 H new ATOM 148 N ILE A 684 5.487 -12.388 -6.968 1.00 0.00 N ATOM 149 CA ILE A 684 6.229 -13.637 -7.098 1.00 0.00 C ATOM 150 C ILE A 684 7.701 -13.420 -6.772 1.00 0.00 C ATOM 151 O ILE A 684 8.301 -14.190 -6.019 1.00 0.00 O ATOM 152 CB ILE A 684 6.096 -14.176 -8.523 1.00 0.00 C ATOM 153 CG1 ILE A 684 4.655 -14.636 -8.761 1.00 0.00 C ATOM 154 CG2 ILE A 684 7.046 -15.360 -8.713 1.00 0.00 C ATOM 155 CD1 ILE A 684 4.447 -14.913 -10.252 1.00 0.00 C ATOM 0 H ILE A 684 5.000 -12.093 -7.814 1.00 0.00 H new ATOM 0 HA ILE A 684 5.815 -14.360 -6.395 1.00 0.00 H new ATOM 0 HB ILE A 684 6.350 -13.389 -9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 684 4.449 -15.535 -8.181 1.00 0.00 H new ATOM 0 HG13 ILE A 684 3.957 -13.871 -8.422 1.00 0.00 H new ATOM 0 HG21 ILE A 684 6.951 -15.744 -9.729 1.00 0.00 H new ATOM 0 HG22 ILE A 684 8.072 -15.034 -8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 684 6.793 -16.147 -8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 684 3.421 -15.240 -10.422 1.00 0.00 H new ATOM 0 HD12 ILE A 684 4.636 -14.003 -10.821 1.00 0.00 H new ATOM 0 HD13 ILE A 684 5.135 -15.693 -10.577 1.00 0.00 H new ATOM 167 N PHE A 685 8.281 -12.370 -7.343 1.00 0.00 N ATOM 168 CA PHE A 685 9.688 -12.064 -7.102 1.00 0.00 C ATOM 169 C PHE A 685 9.943 -11.858 -5.613 1.00 0.00 C ATOM 170 O PHE A 685 10.940 -12.333 -5.073 1.00 0.00 O ATOM 171 CB PHE A 685 10.089 -10.802 -7.869 1.00 0.00 C ATOM 172 CG PHE A 685 11.541 -10.490 -7.604 1.00 0.00 C ATOM 173 CD1 PHE A 685 12.544 -11.200 -8.274 1.00 0.00 C ATOM 174 CD2 PHE A 685 11.885 -9.491 -6.685 1.00 0.00 C ATOM 175 CE1 PHE A 685 13.891 -10.910 -8.027 1.00 0.00 C ATOM 176 CE2 PHE A 685 13.232 -9.202 -6.437 1.00 0.00 C ATOM 177 CZ PHE A 685 14.236 -9.911 -7.108 1.00 0.00 C ATOM 0 H PHE A 685 7.805 -11.722 -7.970 1.00 0.00 H new ATOM 0 HA PHE A 685 10.287 -12.905 -7.450 1.00 0.00 H new ATOM 0 HB2 PHE A 685 9.926 -10.946 -8.937 1.00 0.00 H new ATOM 0 HB3 PHE A 685 9.464 -9.963 -7.562 1.00 0.00 H new ATOM 0 HD1 PHE A 685 12.279 -11.972 -8.982 1.00 0.00 H new ATOM 0 HD2 PHE A 685 11.111 -8.944 -6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 685 14.665 -11.457 -8.545 1.00 0.00 H new ATOM 0 HE2 PHE A 685 13.497 -8.432 -5.728 1.00 0.00 H new ATOM 0 HZ PHE A 685 15.275 -9.688 -6.917 1.00 0.00 H new ATOM 187 N ILE A 686 9.031 -11.149 -4.954 1.00 0.00 N ATOM 188 CA ILE A 686 9.168 -10.890 -3.527 1.00 0.00 C ATOM 189 C ILE A 686 9.156 -12.198 -2.742 1.00 0.00 C ATOM 190 O ILE A 686 9.993 -12.418 -1.868 1.00 0.00 O ATOM 191 CB ILE A 686 8.018 -9.997 -3.047 1.00 0.00 C ATOM 192 CG1 ILE A 686 8.148 -8.587 -3.647 1.00 0.00 C ATOM 193 CG2 ILE A 686 8.045 -9.911 -1.520 1.00 0.00 C ATOM 194 CD1 ILE A 686 9.306 -7.817 -2.994 1.00 0.00 C ATOM 0 H ILE A 686 8.197 -10.747 -5.382 1.00 0.00 H new ATOM 0 HA ILE A 686 10.119 -10.385 -3.357 1.00 0.00 H new ATOM 0 HB ILE A 686 7.073 -10.430 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 686 8.314 -8.659 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 686 7.216 -8.040 -3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 686 7.228 -9.276 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 686 7.931 -10.909 -1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 686 8.995 -9.486 -1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 686 9.377 -6.823 -3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 686 9.124 -7.726 -1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 686 10.240 -8.355 -3.159 1.00 0.00 H new ATOM 206 N ILE A 687 8.199 -13.064 -3.063 1.00 0.00 N ATOM 207 CA ILE A 687 8.086 -14.350 -2.385 1.00 0.00 C ATOM 208 C ILE A 687 9.359 -15.171 -2.580 1.00 0.00 C ATOM 209 O ILE A 687 9.857 -15.792 -1.641 1.00 0.00 O ATOM 210 CB ILE A 687 6.889 -15.127 -2.935 1.00 0.00 C ATOM 211 CG1 ILE A 687 5.593 -14.431 -2.512 1.00 0.00 C ATOM 212 CG2 ILE A 687 6.906 -16.551 -2.378 1.00 0.00 C ATOM 213 CD1 ILE A 687 4.416 -15.034 -3.279 1.00 0.00 C ATOM 0 H ILE A 687 7.496 -12.900 -3.783 1.00 0.00 H new ATOM 0 HA ILE A 687 7.942 -14.167 -1.320 1.00 0.00 H new ATOM 0 HB ILE A 687 6.947 -15.161 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 687 5.439 -14.547 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 687 5.661 -13.361 -2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 687 6.053 -17.105 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 687 7.829 -17.047 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 687 6.848 -16.517 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 687 3.493 -14.538 -2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 687 4.570 -14.895 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 687 4.345 -16.099 -3.058 1.00 0.00 H new ATOM 225 N ILE A 688 9.880 -15.165 -3.802 1.00 0.00 N ATOM 226 CA ILE A 688 11.094 -15.911 -4.109 1.00 0.00 C ATOM 227 C ILE A 688 12.257 -15.414 -3.255 1.00 0.00 C ATOM 228 O ILE A 688 13.034 -16.210 -2.725 1.00 0.00 O ATOM 229 CB ILE A 688 11.444 -15.757 -5.591 1.00 0.00 C ATOM 230 CG1 ILE A 688 10.402 -16.491 -6.437 1.00 0.00 C ATOM 231 CG2 ILE A 688 12.827 -16.354 -5.854 1.00 0.00 C ATOM 232 CD1 ILE A 688 10.580 -16.112 -7.909 1.00 0.00 C ATOM 0 H ILE A 688 9.483 -14.655 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 688 10.917 -16.963 -3.887 1.00 0.00 H new ATOM 0 HB ILE A 688 11.450 -14.700 -5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 688 10.510 -17.568 -6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 688 9.398 -16.231 -6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 688 13.076 -16.244 -6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 688 13.569 -15.832 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 688 12.823 -17.412 -5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 688 9.838 -16.635 -8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 688 10.450 -15.036 -8.026 1.00 0.00 H new ATOM 0 HD13 ILE A 688 11.580 -16.395 -8.239 1.00 0.00 H new ATOM 244 N VAL A 689 12.372 -14.096 -3.127 1.00 0.00 N ATOM 245 CA VAL A 689 13.445 -13.505 -2.334 1.00 0.00 C ATOM 246 C VAL A 689 13.301 -13.891 -0.866 1.00 0.00 C ATOM 247 O VAL A 689 14.287 -14.187 -0.191 1.00 0.00 O ATOM 248 CB VAL A 689 13.414 -11.982 -2.468 1.00 0.00 C ATOM 249 CG1 VAL A 689 14.392 -11.362 -1.469 1.00 0.00 C ATOM 250 CG2 VAL A 689 13.822 -11.588 -3.890 1.00 0.00 C ATOM 0 H VAL A 689 11.741 -13.421 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 689 14.397 -13.883 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 689 12.407 -11.620 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 689 14.370 -10.276 -1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 689 14.104 -11.643 -0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 689 15.400 -11.724 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 689 13.800 -10.503 -3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 689 14.830 -11.951 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 689 13.127 -12.030 -4.604 1.00 0.00 H new ATOM 260 N GLY A 690 12.066 -13.880 -0.374 1.00 0.00 N ATOM 261 CA GLY A 690 11.807 -14.230 1.018 1.00 0.00 C ATOM 262 C GLY A 690 12.189 -15.684 1.284 1.00 0.00 C ATOM 263 O GLY A 690 12.729 -16.010 2.341 1.00 0.00 O ATOM 0 H GLY A 690 11.236 -13.635 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 690 12.375 -13.572 1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 690 10.752 -14.077 1.247 1.00 0.00 H new ATOM 267 N SER A 691 11.903 -16.552 0.319 1.00 0.00 N ATOM 268 CA SER A 691 12.222 -17.968 0.462 1.00 0.00 C ATOM 269 C SER A 691 13.728 -18.168 0.612 1.00 0.00 C ATOM 270 O SER A 691 14.179 -18.948 1.450 1.00 0.00 O ATOM 271 CB SER A 691 11.723 -18.740 -0.760 1.00 0.00 C ATOM 272 OG SER A 691 12.044 -20.117 -0.610 1.00 0.00 O ATOM 0 H SER A 691 11.455 -16.303 -0.563 1.00 0.00 H new ATOM 0 HA SER A 691 11.727 -18.344 1.358 1.00 0.00 H new ATOM 0 HB2 SER A 691 10.645 -18.616 -0.868 1.00 0.00 H new ATOM 0 HB3 SER A 691 12.182 -18.345 -1.666 1.00 0.00 H new ATOM 0 HG SER A 691 11.724 -20.615 -1.391 1.00 0.00 H new ATOM 278 N LEU A 692 14.497 -17.455 -0.204 1.00 0.00 N ATOM 279 CA LEU A 692 15.950 -17.559 -0.150 1.00 0.00 C ATOM 280 C LEU A 692 16.470 -17.074 1.198 1.00 0.00 C ATOM 281 O LEU A 692 17.344 -17.700 1.800 1.00 0.00 O ATOM 282 CB LEU A 692 16.576 -16.724 -1.271 1.00 0.00 C ATOM 283 CG LEU A 692 16.283 -17.370 -2.627 1.00 0.00 C ATOM 284 CD1 LEU A 692 16.691 -16.409 -3.747 1.00 0.00 C ATOM 285 CD2 LEU A 692 17.080 -18.673 -2.763 1.00 0.00 C ATOM 0 H LEU A 692 14.142 -16.804 -0.905 1.00 0.00 H new ATOM 0 HA LEU A 692 16.226 -18.605 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 692 16.177 -15.710 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 692 17.653 -16.646 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 692 15.217 -17.588 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 692 16.483 -16.868 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 692 16.125 -15.482 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 692 17.756 -16.192 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 692 16.868 -19.130 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 692 18.146 -18.457 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 692 16.793 -19.360 -1.967 1.00 0.00 H new ATOM 297 N ILE A 693 15.930 -15.954 1.668 1.00 0.00 N ATOM 298 CA ILE A 693 16.347 -15.392 2.947 1.00 0.00 C ATOM 299 C ILE A 693 16.068 -16.374 4.081 1.00 0.00 C ATOM 300 O ILE A 693 16.897 -16.563 4.969 1.00 0.00 O ATOM 301 CB ILE A 693 15.604 -14.082 3.209 1.00 0.00 C ATOM 302 CG1 ILE A 693 16.085 -13.017 2.220 1.00 0.00 C ATOM 303 CG2 ILE A 693 15.885 -13.612 4.637 1.00 0.00 C ATOM 304 CD1 ILE A 693 15.160 -11.800 2.290 1.00 0.00 C ATOM 0 H ILE A 693 15.207 -15.421 1.185 1.00 0.00 H new ATOM 0 HA ILE A 693 17.419 -15.199 2.905 1.00 0.00 H new ATOM 0 HB ILE A 693 14.533 -14.241 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 693 17.108 -12.723 2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 693 16.094 -13.423 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 693 15.355 -12.678 4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 693 15.545 -14.370 5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 693 16.956 -13.453 4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 693 15.502 -11.042 1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 693 14.144 -12.100 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 693 15.174 -11.390 3.300 1.00 0.00 H new ATOM 316 N GLY A 694 14.892 -16.995 4.044 1.00 0.00 N ATOM 317 CA GLY A 694 14.511 -17.955 5.074 1.00 0.00 C ATOM 318 C GLY A 694 15.455 -19.152 5.066 1.00 0.00 C ATOM 319 O GLY A 694 15.940 -19.580 6.114 1.00 0.00 O ATOM 0 H GLY A 694 14.191 -16.852 3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 694 14.532 -17.475 6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 694 13.488 -18.291 4.906 1.00 0.00 H new ATOM 323 N LEU A 695 15.709 -19.694 3.879 1.00 0.00 N ATOM 324 CA LEU A 695 16.597 -20.845 3.748 1.00 0.00 C ATOM 325 C LEU A 695 17.947 -20.550 4.391 1.00 0.00 C ATOM 326 O LEU A 695 18.481 -21.367 5.141 1.00 0.00 O ATOM 327 CB LEU A 695 16.797 -21.190 2.270 1.00 0.00 C ATOM 328 CG LEU A 695 15.506 -21.780 1.695 1.00 0.00 C ATOM 329 CD1 LEU A 695 15.626 -21.876 0.172 1.00 0.00 C ATOM 330 CD2 LEU A 695 15.277 -23.182 2.274 1.00 0.00 C ATOM 0 H LEU A 695 15.316 -19.358 3.000 1.00 0.00 H new ATOM 0 HA LEU A 695 16.140 -21.693 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 695 17.078 -20.296 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 695 17.614 -21.904 2.161 1.00 0.00 H new ATOM 0 HG LEU A 695 14.666 -21.137 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 695 14.708 -22.296 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 695 15.788 -20.882 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 695 16.467 -22.519 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 695 14.358 -23.600 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 695 16.117 -23.826 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 695 15.194 -23.118 3.359 1.00 0.00 H new ATOM 342 N ARG A 696 18.495 -19.376 4.094 1.00 0.00 N ATOM 343 CA ARG A 696 19.785 -18.983 4.649 1.00 0.00 C ATOM 344 C ARG A 696 19.725 -18.948 6.174 1.00 0.00 C ATOM 345 O ARG A 696 20.608 -19.473 6.851 1.00 0.00 O ATOM 346 CB ARG A 696 20.180 -17.601 4.124 1.00 0.00 C ATOM 347 CG ARG A 696 20.441 -17.664 2.614 1.00 0.00 C ATOM 348 CD ARG A 696 21.730 -18.442 2.335 1.00 0.00 C ATOM 349 NE ARG A 696 22.069 -18.361 0.917 1.00 0.00 N ATOM 350 CZ ARG A 696 23.142 -18.975 0.416 1.00 0.00 C ATOM 351 NH1 ARG A 696 23.936 -19.675 1.188 1.00 0.00 N ATOM 352 NH2 ARG A 696 23.407 -18.876 -0.857 1.00 0.00 N ATOM 0 H ARG A 696 18.069 -18.685 3.477 1.00 0.00 H new ATOM 0 HA ARG A 696 20.529 -19.717 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 696 19.387 -16.884 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 696 21.073 -17.249 4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 696 19.601 -18.144 2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 696 20.521 -16.655 2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 696 22.545 -18.038 2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 696 21.605 -19.484 2.628 1.00 0.00 H new ATOM 0 HE ARG A 696 21.470 -17.821 0.293 1.00 0.00 H new ATOM 0 HH11 ARG A 696 23.737 -19.756 2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 696 24.753 -20.139 0.792 1.00 0.00 H new ATOM 0 HH21 ARG A 696 22.795 -18.331 -1.464 1.00 0.00 H new ATOM 0 HH22 ARG A 696 24.226 -19.343 -1.245 1.00 0.00 H new ATOM 366 N ILE A 697 18.679 -18.326 6.708 1.00 0.00 N ATOM 367 CA ILE A 697 18.517 -18.228 8.153 1.00 0.00 C ATOM 368 C ILE A 697 18.468 -19.618 8.782 1.00 0.00 C ATOM 369 O ILE A 697 19.132 -19.880 9.785 1.00 0.00 O ATOM 370 CB ILE A 697 17.229 -17.472 8.485 1.00 0.00 C ATOM 371 CG1 ILE A 697 17.385 -16.003 8.083 1.00 0.00 C ATOM 372 CG2 ILE A 697 16.957 -17.562 9.988 1.00 0.00 C ATOM 373 CD1 ILE A 697 16.023 -15.309 8.151 1.00 0.00 C ATOM 0 H ILE A 697 17.936 -17.885 6.166 1.00 0.00 H new ATOM 0 HA ILE A 697 19.371 -17.686 8.559 1.00 0.00 H new ATOM 0 HB ILE A 697 16.396 -17.914 7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 697 18.092 -15.506 8.747 1.00 0.00 H new ATOM 0 HG13 ILE A 697 17.792 -15.932 7.074 1.00 0.00 H new ATOM 0 HG21 ILE A 697 16.039 -17.023 10.225 1.00 0.00 H new ATOM 0 HG22 ILE A 697 16.849 -18.608 10.276 1.00 0.00 H new ATOM 0 HG23 ILE A 697 17.789 -17.119 10.535 1.00 0.00 H new ATOM 0 HD11 ILE A 697 16.133 -14.263 7.865 1.00 0.00 H new ATOM 0 HD12 ILE A 697 15.330 -15.801 7.469 1.00 0.00 H new ATOM 0 HD13 ILE A 697 15.635 -15.368 9.168 1.00 0.00 H new ATOM 385 N VAL A 698 17.677 -20.503 8.186 1.00 0.00 N ATOM 386 CA VAL A 698 17.549 -21.865 8.696 1.00 0.00 C ATOM 387 C VAL A 698 18.910 -22.549 8.735 1.00 0.00 C ATOM 388 O VAL A 698 19.263 -23.201 9.718 1.00 0.00 O ATOM 389 CB VAL A 698 16.596 -22.669 7.809 1.00 0.00 C ATOM 390 CG1 VAL A 698 16.649 -24.144 8.208 1.00 0.00 C ATOM 391 CG2 VAL A 698 15.170 -22.143 7.988 1.00 0.00 C ATOM 0 H VAL A 698 17.118 -20.305 7.356 1.00 0.00 H new ATOM 0 HA VAL A 698 17.148 -21.819 9.708 1.00 0.00 H new ATOM 0 HB VAL A 698 16.895 -22.565 6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 698 15.970 -24.716 7.576 1.00 0.00 H new ATOM 0 HG12 VAL A 698 17.665 -24.519 8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 698 16.350 -24.250 9.251 1.00 0.00 H new ATOM 0 HG21 VAL A 698 14.489 -22.715 7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 698 14.872 -22.248 9.031 1.00 0.00 H new ATOM 0 HG23 VAL A 698 15.132 -21.091 7.704 1.00 0.00 H new ATOM 401 N PHE A 699 19.673 -22.395 7.658 1.00 0.00 N ATOM 402 CA PHE A 699 20.996 -23.000 7.576 1.00 0.00 C ATOM 403 C PHE A 699 21.914 -22.419 8.648 1.00 0.00 C ATOM 404 O PHE A 699 22.658 -23.149 9.302 1.00 0.00 O ATOM 405 CB PHE A 699 21.611 -22.766 6.192 1.00 0.00 C ATOM 406 CG PHE A 699 21.040 -23.760 5.207 1.00 0.00 C ATOM 407 CD1 PHE A 699 20.262 -23.315 4.133 1.00 0.00 C ATOM 408 CD2 PHE A 699 21.289 -25.128 5.372 1.00 0.00 C ATOM 409 CE1 PHE A 699 19.733 -24.236 3.222 1.00 0.00 C ATOM 410 CE2 PHE A 699 20.759 -26.051 4.460 1.00 0.00 C ATOM 411 CZ PHE A 699 19.981 -25.604 3.385 1.00 0.00 C ATOM 0 H PHE A 699 19.399 -21.859 6.834 1.00 0.00 H new ATOM 0 HA PHE A 699 20.889 -24.072 7.739 1.00 0.00 H new ATOM 0 HB2 PHE A 699 21.404 -21.749 5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 699 22.695 -22.871 6.242 1.00 0.00 H new ATOM 0 HD1 PHE A 699 20.069 -22.260 4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 699 21.889 -25.472 6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 699 19.133 -23.891 2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 699 20.951 -27.106 4.586 1.00 0.00 H new ATOM 0 HZ PHE A 699 19.572 -26.315 2.682 1.00 0.00 H new ATOM 421 N ALA A 700 21.850 -21.102 8.822 1.00 0.00 N ATOM 422 CA ALA A 700 22.677 -20.434 9.820 1.00 0.00 C ATOM 423 C ALA A 700 22.348 -20.954 11.217 1.00 0.00 C ATOM 424 O ALA A 700 23.246 -21.236 12.012 1.00 0.00 O ATOM 425 CB ALA A 700 22.443 -18.923 9.766 1.00 0.00 C ATOM 0 H ALA A 700 21.240 -20.482 8.290 1.00 0.00 H new ATOM 0 HA ALA A 700 23.724 -20.645 9.601 1.00 0.00 H new ATOM 0 HB1 ALA A 700 23.064 -18.432 10.515 1.00 0.00 H new ATOM 0 HB2 ALA A 700 22.704 -18.550 8.776 1.00 0.00 H new ATOM 0 HB3 ALA A 700 21.394 -18.710 9.969 1.00 0.00 H new ATOM 431 N VAL A 701 21.056 -21.078 11.508 1.00 0.00 N ATOM 432 CA VAL A 701 20.623 -21.568 12.810 1.00 0.00 C ATOM 433 C VAL A 701 21.164 -22.971 13.058 1.00 0.00 C ATOM 434 O VAL A 701 21.626 -23.287 14.156 1.00 0.00 O ATOM 435 CB VAL A 701 19.096 -21.587 12.880 1.00 0.00 C ATOM 436 CG1 VAL A 701 18.650 -22.313 14.150 1.00 0.00 C ATOM 437 CG2 VAL A 701 18.569 -20.150 12.904 1.00 0.00 C ATOM 0 H VAL A 701 20.298 -20.848 10.865 1.00 0.00 H new ATOM 0 HA VAL A 701 21.012 -20.899 13.578 1.00 0.00 H new ATOM 0 HB VAL A 701 18.700 -22.107 12.007 1.00 0.00 H new ATOM 0 HG11 VAL A 701 17.561 -22.326 14.199 1.00 0.00 H new ATOM 0 HG12 VAL A 701 19.025 -23.337 14.135 1.00 0.00 H new ATOM 0 HG13 VAL A 701 19.046 -21.795 15.023 1.00 0.00 H new ATOM 0 HG21 VAL A 701 17.480 -20.163 12.954 1.00 0.00 H new ATOM 0 HG22 VAL A 701 18.966 -19.631 13.776 1.00 0.00 H new ATOM 0 HG23 VAL A 701 18.885 -19.631 11.999 1.00 0.00 H new ATOM 447 N LEU A 702 21.104 -23.812 12.031 1.00 0.00 N ATOM 448 CA LEU A 702 21.594 -25.182 12.146 1.00 0.00 C ATOM 449 C LEU A 702 23.099 -25.195 12.392 1.00 0.00 C ATOM 450 O LEU A 702 23.595 -25.951 13.228 1.00 0.00 O ATOM 451 CB LEU A 702 21.278 -25.959 10.865 1.00 0.00 C ATOM 452 CG LEU A 702 19.768 -26.190 10.754 1.00 0.00 C ATOM 453 CD1 LEU A 702 19.439 -26.740 9.365 1.00 0.00 C ATOM 454 CD2 LEU A 702 19.321 -27.200 11.819 1.00 0.00 C ATOM 0 H LEU A 702 20.724 -23.572 11.115 1.00 0.00 H new ATOM 0 HA LEU A 702 21.095 -25.656 12.991 1.00 0.00 H new ATOM 0 HB2 LEU A 702 21.635 -25.406 9.996 1.00 0.00 H new ATOM 0 HB3 LEU A 702 21.801 -26.915 10.871 1.00 0.00 H new ATOM 0 HG LEU A 702 19.246 -25.246 10.908 1.00 0.00 H new ATOM 0 HD11 LEU A 702 18.365 -26.905 9.284 1.00 0.00 H new ATOM 0 HD12 LEU A 702 19.754 -26.024 8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 702 19.963 -27.683 9.214 1.00 0.00 H new ATOM 0 HD21 LEU A 702 18.246 -27.363 11.738 1.00 0.00 H new ATOM 0 HD22 LEU A 702 19.843 -28.144 11.667 1.00 0.00 H new ATOM 0 HD23 LEU A 702 19.555 -26.811 12.810 1.00 0.00 H new ATOM 466 N SER A 703 23.821 -24.356 11.658 1.00 0.00 N ATOM 467 CA SER A 703 25.270 -24.279 11.806 1.00 0.00 C ATOM 468 C SER A 703 25.643 -23.894 13.234 1.00 0.00 C ATOM 469 O SER A 703 26.559 -24.465 13.825 1.00 0.00 O ATOM 470 CB SER A 703 25.841 -23.248 10.832 1.00 0.00 C ATOM 471 OG SER A 703 25.640 -23.702 9.499 1.00 0.00 O ATOM 0 H SER A 703 23.431 -23.724 10.959 1.00 0.00 H new ATOM 0 HA SER A 703 25.691 -25.260 11.584 1.00 0.00 H new ATOM 0 HB2 SER A 703 25.354 -22.284 10.978 1.00 0.00 H new ATOM 0 HB3 SER A 703 26.904 -23.100 11.022 1.00 0.00 H new ATOM 0 HG SER A 703 24.703 -23.567 9.245 1.00 0.00 H new ATOM 477 N LEU A 704 24.924 -22.920 13.782 1.00 0.00 N ATOM 478 CA LEU A 704 25.186 -22.462 15.143 1.00 0.00 C ATOM 479 C LEU A 704 24.923 -23.579 16.150 1.00 0.00 C ATOM 480 O LEU A 704 25.695 -23.773 17.089 1.00 0.00 O ATOM 481 CB LEU A 704 24.296 -21.256 15.465 1.00 0.00 C ATOM 482 CG LEU A 704 24.555 -20.776 16.899 1.00 0.00 C ATOM 483 CD1 LEU A 704 26.010 -20.323 17.041 1.00 0.00 C ATOM 484 CD2 LEU A 704 23.626 -19.601 17.213 1.00 0.00 C ATOM 0 H LEU A 704 24.161 -22.435 13.310 1.00 0.00 H new ATOM 0 HA LEU A 704 26.234 -22.171 15.214 1.00 0.00 H new ATOM 0 HB2 LEU A 704 24.497 -20.448 14.761 1.00 0.00 H new ATOM 0 HB3 LEU A 704 23.247 -21.527 15.348 1.00 0.00 H new ATOM 0 HG LEU A 704 24.364 -21.595 17.593 1.00 0.00 H new ATOM 0 HD11 LEU A 704 26.187 -19.983 18.061 1.00 0.00 H new ATOM 0 HD12 LEU A 704 26.674 -21.157 16.816 1.00 0.00 H new ATOM 0 HD13 LEU A 704 26.206 -19.505 16.347 1.00 0.00 H new ATOM 0 HD21 LEU A 704 23.806 -19.256 18.231 1.00 0.00 H new ATOM 0 HD22 LEU A 704 23.820 -18.787 16.515 1.00 0.00 H new ATOM 0 HD23 LEU A 704 22.589 -19.922 17.117 1.00 0.00 H new ATOM 496 N VAL A 705 23.829 -24.307 15.948 1.00 0.00 N ATOM 497 CA VAL A 705 23.477 -25.399 16.848 1.00 0.00 C ATOM 498 C VAL A 705 24.564 -26.469 16.846 1.00 0.00 C ATOM 499 O VAL A 705 24.956 -26.972 17.898 1.00 0.00 O ATOM 500 CB VAL A 705 22.146 -26.021 16.421 1.00 0.00 C ATOM 501 CG1 VAL A 705 21.900 -27.303 17.219 1.00 0.00 C ATOM 502 CG2 VAL A 705 21.012 -25.030 16.689 1.00 0.00 C ATOM 0 H VAL A 705 23.177 -24.163 15.177 1.00 0.00 H new ATOM 0 HA VAL A 705 23.383 -24.996 17.856 1.00 0.00 H new ATOM 0 HB VAL A 705 22.181 -26.257 15.357 1.00 0.00 H new ATOM 0 HG11 VAL A 705 20.952 -27.745 16.914 1.00 0.00 H new ATOM 0 HG12 VAL A 705 22.708 -28.010 17.030 1.00 0.00 H new ATOM 0 HG13 VAL A 705 21.865 -27.068 18.283 1.00 0.00 H new ATOM 0 HG21 VAL A 705 20.063 -25.472 16.385 1.00 0.00 H new ATOM 0 HG22 VAL A 705 20.978 -24.794 17.753 1.00 0.00 H new ATOM 0 HG23 VAL A 705 21.185 -24.116 16.120 1.00 0.00 H new ATOM 512 N ASN A 706 25.048 -26.810 15.655 1.00 0.00 N ATOM 513 CA ASN A 706 26.092 -27.822 15.530 1.00 0.00 C ATOM 514 C ASN A 706 27.348 -27.389 16.279 1.00 0.00 C ATOM 515 O ASN A 706 27.982 -28.192 16.964 1.00 0.00 O ATOM 516 CB ASN A 706 26.429 -28.046 14.054 1.00 0.00 C ATOM 517 CG ASN A 706 25.269 -28.749 13.356 1.00 0.00 C ATOM 518 OD1 ASN A 706 24.684 -28.202 12.420 1.00 0.00 O ATOM 519 ND2 ASN A 706 24.900 -29.935 13.756 1.00 0.00 N ATOM 0 H ASN A 706 24.738 -26.405 14.771 1.00 0.00 H new ATOM 0 HA ASN A 706 25.725 -28.752 15.964 1.00 0.00 H new ATOM 0 HB2 ASN A 706 26.631 -27.091 13.569 1.00 0.00 H new ATOM 0 HB3 ASN A 706 27.335 -28.646 13.966 1.00 0.00 H new ATOM 0 HD21 ASN A 706 24.126 -30.411 13.293 1.00 0.00 H new ATOM 0 HD22 ASN A 706 25.386 -30.386 14.531 1.00 0.00 H new ATOM 526 N ARG A 707 27.700 -26.114 16.147 1.00 0.00 N ATOM 527 CA ARG A 707 28.883 -25.584 16.816 1.00 0.00 C ATOM 528 C ARG A 707 28.725 -25.670 18.331 1.00 0.00 C ATOM 529 O ARG A 707 29.650 -26.062 19.039 1.00 0.00 O ATOM 530 CB ARG A 707 29.107 -24.125 16.407 1.00 0.00 C ATOM 531 CG ARG A 707 29.491 -24.043 14.924 1.00 0.00 C ATOM 532 CD ARG A 707 30.910 -24.584 14.715 1.00 0.00 C ATOM 533 NE ARG A 707 31.313 -24.407 13.322 1.00 0.00 N ATOM 534 CZ ARG A 707 31.799 -23.249 12.870 1.00 0.00 C ATOM 535 NH1 ARG A 707 31.922 -22.214 13.664 1.00 0.00 N ATOM 536 NH2 ARG A 707 32.158 -23.145 11.620 1.00 0.00 N ATOM 0 H ARG A 707 27.187 -25.433 15.587 1.00 0.00 H new ATOM 0 HA ARG A 707 29.744 -26.181 16.516 1.00 0.00 H new ATOM 0 HB2 ARG A 707 28.202 -23.546 16.588 1.00 0.00 H new ATOM 0 HB3 ARG A 707 29.895 -23.685 17.019 1.00 0.00 H new ATOM 0 HG2 ARG A 707 28.783 -24.616 14.325 1.00 0.00 H new ATOM 0 HG3 ARG A 707 29.434 -23.009 14.582 1.00 0.00 H new ATOM 0 HD2 ARG A 707 31.607 -24.064 15.372 1.00 0.00 H new ATOM 0 HD3 ARG A 707 30.948 -25.640 14.982 1.00 0.00 H new ATOM 0 HE ARG A 707 31.220 -25.191 12.676 1.00 0.00 H new ATOM 0 HH11 ARG A 707 31.645 -22.286 14.643 1.00 0.00 H new ATOM 0 HH12 ARG A 707 32.295 -21.336 13.303 1.00 0.00 H new ATOM 0 HH21 ARG A 707 32.066 -23.946 10.995 1.00 0.00 H new ATOM 0 HH22 ARG A 707 32.530 -22.263 11.268 1.00 0.00 H new ATOM 550 N VAL A 708 27.545 -25.299 18.821 1.00 0.00 N ATOM 551 CA VAL A 708 27.280 -25.337 20.255 1.00 0.00 C ATOM 552 C VAL A 708 27.322 -26.771 20.771 1.00 0.00 C ATOM 553 O VAL A 708 27.866 -27.038 21.843 1.00 0.00 O ATOM 554 CB VAL A 708 25.909 -24.726 20.548 1.00 0.00 C ATOM 555 CG1 VAL A 708 25.545 -24.965 22.015 1.00 0.00 C ATOM 556 CG2 VAL A 708 25.953 -23.222 20.274 1.00 0.00 C ATOM 0 H VAL A 708 26.764 -24.972 18.252 1.00 0.00 H new ATOM 0 HA VAL A 708 28.052 -24.759 20.764 1.00 0.00 H new ATOM 0 HB VAL A 708 25.160 -25.192 19.908 1.00 0.00 H new ATOM 0 HG11 VAL A 708 24.568 -24.529 22.223 1.00 0.00 H new ATOM 0 HG12 VAL A 708 25.514 -26.037 22.212 1.00 0.00 H new ATOM 0 HG13 VAL A 708 26.294 -24.500 22.656 1.00 0.00 H new ATOM 0 HG21 VAL A 708 24.976 -22.785 20.483 1.00 0.00 H new ATOM 0 HG22 VAL A 708 26.702 -22.757 20.915 1.00 0.00 H new ATOM 0 HG23 VAL A 708 26.212 -23.050 19.229 1.00 0.00 H new ATOM 566 N ARG A 709 26.745 -27.688 20.001 1.00 0.00 N ATOM 567 CA ARG A 709 26.725 -29.094 20.389 1.00 0.00 C ATOM 568 C ARG A 709 28.143 -29.658 20.430 1.00 0.00 C ATOM 569 O ARG A 709 28.448 -30.533 21.240 1.00 0.00 O ATOM 570 CB ARG A 709 25.884 -29.898 19.396 1.00 0.00 C ATOM 571 CG ARG A 709 25.799 -31.354 19.859 1.00 0.00 C ATOM 572 CD ARG A 709 24.842 -32.124 18.948 1.00 0.00 C ATOM 573 NE ARG A 709 23.481 -31.621 19.104 1.00 0.00 N ATOM 574 CZ ARG A 709 22.474 -32.074 18.353 1.00 0.00 C ATOM 575 NH1 ARG A 709 22.679 -32.994 17.443 1.00 0.00 N ATOM 576 NH2 ARG A 709 21.274 -31.594 18.526 1.00 0.00 N ATOM 0 H ARG A 709 26.288 -27.485 19.112 1.00 0.00 H new ATOM 0 HA ARG A 709 26.285 -29.171 21.383 1.00 0.00 H new ATOM 0 HB2 ARG A 709 24.884 -29.471 19.321 1.00 0.00 H new ATOM 0 HB3 ARG A 709 26.328 -29.847 18.402 1.00 0.00 H new ATOM 0 HG2 ARG A 709 26.788 -31.812 19.836 1.00 0.00 H new ATOM 0 HG3 ARG A 709 25.451 -31.399 20.891 1.00 0.00 H new ATOM 0 HD2 ARG A 709 25.157 -32.024 17.910 1.00 0.00 H new ATOM 0 HD3 ARG A 709 24.874 -33.186 19.190 1.00 0.00 H new ATOM 0 HE ARG A 709 23.294 -30.904 19.805 1.00 0.00 H new ATOM 0 HH11 ARG A 709 23.616 -33.372 17.302 1.00 0.00 H new ATOM 0 HH12 ARG A 709 21.902 -33.332 16.875 1.00 0.00 H new ATOM 0 HH21 ARG A 709 21.109 -30.877 19.232 1.00 0.00 H new ATOM 0 HH22 ARG A 709 20.501 -31.936 17.955 1.00 0.00 H new ATOM 590 N GLN A 710 29.001 -29.153 19.551 1.00 0.00 N ATOM 591 CA GLN A 710 30.382 -29.615 19.495 1.00 0.00 C ATOM 592 C GLN A 710 31.076 -29.379 20.832 1.00 0.00 C ATOM 593 O GLN A 710 31.019 -28.281 21.387 1.00 0.00 O ATOM 594 CB GLN A 710 31.134 -28.877 18.385 1.00 0.00 C ATOM 595 CG GLN A 710 32.566 -29.407 18.296 1.00 0.00 C ATOM 596 CD GLN A 710 33.331 -28.664 17.206 1.00 0.00 C ATOM 597 OE1 GLN A 710 33.442 -27.439 17.251 1.00 0.00 O ATOM 598 NE2 GLN A 710 33.867 -29.335 16.225 1.00 0.00 N ATOM 0 H GLN A 710 28.767 -28.429 18.872 1.00 0.00 H new ATOM 0 HA GLN A 710 30.383 -30.684 19.282 1.00 0.00 H new ATOM 0 HB2 GLN A 710 30.624 -29.016 17.432 1.00 0.00 H new ATOM 0 HB3 GLN A 710 31.144 -27.806 18.588 1.00 0.00 H new ATOM 0 HG2 GLN A 710 33.069 -29.281 19.255 1.00 0.00 H new ATOM 0 HG3 GLN A 710 32.554 -30.475 18.080 1.00 0.00 H new ATOM 0 HE21 GLN A 710 33.773 -30.350 16.190 1.00 0.00 H new ATOM 0 HE22 GLN A 710 34.380 -28.845 15.492 1.00 0.00 H new ATOM 607 N GLY A 711 31.748 -30.407 21.337 1.00 0.00 N ATOM 608 CA GLY A 711 32.468 -30.284 22.599 1.00 0.00 C ATOM 609 C GLY A 711 33.816 -29.610 22.371 1.00 0.00 C ATOM 610 O GLY A 711 34.225 -29.402 21.229 1.00 0.00 O ATOM 0 H GLY A 711 31.810 -31.326 20.898 1.00 0.00 H new ATOM 0 HA2 GLY A 711 31.878 -29.703 23.308 1.00 0.00 H new ATOM 0 HA3 GLY A 711 32.616 -31.270 23.040 1.00 0.00 H new ATOM 614 N TYR A 712 34.510 -29.271 23.452 1.00 0.00 N ATOM 615 CA TYR A 712 35.811 -28.626 23.325 1.00 0.00 C ATOM 616 C TYR A 712 35.701 -27.392 22.435 1.00 0.00 C ATOM 617 O TYR A 712 36.342 -27.316 21.387 1.00 0.00 O ATOM 618 CB TYR A 712 36.820 -29.597 22.713 1.00 0.00 C ATOM 619 CG TYR A 712 36.930 -30.830 23.577 1.00 0.00 C ATOM 620 CD1 TYR A 712 37.803 -30.843 24.671 1.00 0.00 C ATOM 621 CD2 TYR A 712 36.162 -31.962 23.280 1.00 0.00 C ATOM 622 CE1 TYR A 712 37.907 -31.990 25.469 1.00 0.00 C ATOM 623 CE2 TYR A 712 36.266 -33.107 24.077 1.00 0.00 C ATOM 624 CZ TYR A 712 37.138 -33.121 25.172 1.00 0.00 C ATOM 625 OH TYR A 712 37.241 -34.251 25.956 1.00 0.00 O ATOM 0 H TYR A 712 34.200 -29.429 24.411 1.00 0.00 H new ATOM 0 HA TYR A 712 36.148 -28.328 24.318 1.00 0.00 H new ATOM 0 HB2 TYR A 712 36.508 -29.874 21.706 1.00 0.00 H new ATOM 0 HB3 TYR A 712 37.794 -29.116 22.624 1.00 0.00 H new ATOM 0 HD1 TYR A 712 38.396 -29.970 24.900 1.00 0.00 H new ATOM 0 HD2 TYR A 712 35.489 -31.951 22.435 1.00 0.00 H new ATOM 0 HE1 TYR A 712 38.581 -32.001 26.313 1.00 0.00 H new ATOM 0 HE2 TYR A 712 35.673 -33.980 23.847 1.00 0.00 H new ATOM 0 HH TYR A 712 36.638 -34.943 25.613 1.00 0.00 H new ATOM 635 N SER A 713 34.872 -26.434 22.841 1.00 0.00 N ATOM 636 CA SER A 713 34.682 -25.226 22.047 1.00 0.00 C ATOM 637 C SER A 713 35.388 -24.022 22.686 1.00 0.00 C ATOM 638 O SER A 713 34.837 -23.386 23.584 1.00 0.00 O ATOM 639 CB SER A 713 33.188 -24.922 21.942 1.00 0.00 C ATOM 640 OG SER A 713 32.527 -26.018 21.324 1.00 0.00 O ATOM 0 H SER A 713 34.328 -26.470 23.703 1.00 0.00 H new ATOM 0 HA SER A 713 35.111 -25.397 21.060 1.00 0.00 H new ATOM 0 HB2 SER A 713 32.771 -24.743 22.933 1.00 0.00 H new ATOM 0 HB3 SER A 713 33.030 -24.013 21.361 1.00 0.00 H new ATOM 0 HG SER A 713 32.105 -26.575 22.011 1.00 0.00 H new ATOM 646 N PRO A 714 36.579 -23.682 22.234 1.00 0.00 N ATOM 647 CA PRO A 714 37.342 -22.514 22.768 1.00 0.00 C ATOM 648 C PRO A 714 36.807 -21.189 22.228 1.00 0.00 C ATOM 649 O PRO A 714 35.812 -21.161 21.503 1.00 0.00 O ATOM 650 CB PRO A 714 38.765 -22.766 22.277 1.00 0.00 C ATOM 651 CG PRO A 714 38.597 -23.518 21.002 1.00 0.00 C ATOM 652 CD PRO A 714 37.340 -24.373 21.173 1.00 0.00 C ATOM 0 HA PRO A 714 37.267 -22.430 23.852 1.00 0.00 H new ATOM 0 HB2 PRO A 714 39.300 -21.830 22.117 1.00 0.00 H new ATOM 0 HB3 PRO A 714 39.339 -23.341 23.004 1.00 0.00 H new ATOM 0 HG2 PRO A 714 38.492 -22.836 20.159 1.00 0.00 H new ATOM 0 HG3 PRO A 714 39.468 -24.142 20.800 1.00 0.00 H new ATOM 0 HD2 PRO A 714 36.769 -24.433 20.247 1.00 0.00 H new ATOM 0 HD3 PRO A 714 37.588 -25.395 21.461 1.00 0.00 H new ATOM 660 N LEU A 715 37.475 -20.096 22.581 1.00 0.00 N ATOM 661 CA LEU A 715 37.057 -18.776 22.120 1.00 0.00 C ATOM 662 C LEU A 715 37.111 -18.708 20.596 1.00 0.00 C ATOM 663 O LEU A 715 36.233 -18.124 19.961 1.00 0.00 O ATOM 664 CB LEU A 715 37.974 -17.701 22.710 1.00 0.00 C ATOM 665 CG LEU A 715 37.724 -17.569 24.215 1.00 0.00 C ATOM 666 CD1 LEU A 715 38.810 -16.687 24.834 1.00 0.00 C ATOM 667 CD2 LEU A 715 36.353 -16.925 24.452 1.00 0.00 C ATOM 0 H LEU A 715 38.301 -20.096 23.179 1.00 0.00 H new ATOM 0 HA LEU A 715 36.033 -18.600 22.450 1.00 0.00 H new ATOM 0 HB2 LEU A 715 39.017 -17.960 22.527 1.00 0.00 H new ATOM 0 HB3 LEU A 715 37.792 -16.746 22.217 1.00 0.00 H new ATOM 0 HG LEU A 715 37.747 -18.557 24.675 1.00 0.00 H new ATOM 0 HD11 LEU A 715 38.634 -16.591 25.905 1.00 0.00 H new ATOM 0 HD12 LEU A 715 39.787 -17.140 24.666 1.00 0.00 H new ATOM 0 HD13 LEU A 715 38.784 -15.700 24.373 1.00 0.00 H new ATOM 0 HD21 LEU A 715 36.175 -16.831 25.523 1.00 0.00 H new ATOM 0 HD22 LEU A 715 36.331 -15.937 23.993 1.00 0.00 H new ATOM 0 HD23 LEU A 715 35.577 -17.549 24.009 1.00 0.00 H new ATOM 679 N SER A 716 38.144 -19.312 20.016 1.00 0.00 N ATOM 680 CA SER A 716 38.298 -19.318 18.564 1.00 0.00 C ATOM 681 C SER A 716 38.857 -20.655 18.090 1.00 0.00 C ATOM 682 O SER A 716 40.066 -20.817 18.129 1.00 0.00 O ATOM 683 CB SER A 716 39.235 -18.189 18.132 1.00 0.00 C ATOM 684 OG SER A 716 39.804 -17.584 19.284 1.00 0.00 O ATOM 685 OXT SER A 716 38.069 -21.498 17.695 1.00 0.00 O ATOM 0 H SER A 716 38.882 -19.800 20.524 1.00 0.00 H new ATOM 0 HA SER A 716 37.317 -19.167 18.114 1.00 0.00 H new ATOM 0 HB2 SER A 716 40.021 -18.581 17.487 1.00 0.00 H new ATOM 0 HB3 SER A 716 38.686 -17.448 17.551 1.00 0.00 H new ATOM 0 HG SER A 716 40.406 -16.861 19.010 1.00 0.00 H new TER 691 SER A 716