USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 970 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 79 ASN : amide:sc= -0.965 K(o=-0.067,f=-13!) USER MOD Set 1.2: A 81 SER OG : rot 70:sc= 0.897 USER MOD Set 2.1: A 63 GLN : amide:sc= -6.53! C(o=-8.7!,f=-23!) USER MOD Set 2.2: A 65 THR OG1 : rot 69:sc= -2.18! USER MOD Set 3.1: A 43 TYR OH : rot -152:sc= 0.234 USER MOD Set 3.2: A 98 GLN : amide:sc= 0.0388 K(o=0.27,f=-0.75) USER MOD Set 4.1: A 2 SER OG : rot -137:sc= 0.159 USER MOD Set 4.2: A 31 HIS : no HE2:sc= -0.0518 K(o=0.11,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.00298 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0482 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.14! C(o=-1.1!,f=-3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.89! C(o=-1.9!,f=-2.3!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot -143:sc= 0.441 USER MOD Single : A 41 ASN : amide:sc= -6.93! C(o=-6.9!,f=-17!) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.027) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 51 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.577 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -1.31! C(o=-2.2!,f=-1.3!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 70 TYR OH : rot -8:sc= 0.974 USER MOD Single : A 71 SER OG : rot -150:sc= -0.355 USER MOD Single : A 72 ASN :FLIP amide:sc= 0.265 F(o=-0.31,f=0.26) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -114:sc= -0.249 (180deg=-1.87) USER MOD Single : A 86 ASN : amide:sc=-0.00528 K(o=-0.0053,f=-0.61) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 83:sc= 0.973 USER MOD Single : A 94 SER OG : rot -160:sc= -1.18 USER MOD Single : A 95 TYR OH : rot 51:sc= 1.11 USER MOD Single : A 96 THR OG1 : rot 64:sc= 0.349 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.17! C(o=-1.2!,f=-1.1!) USER MOD Single : A 105 MET CE :methyl 174:sc= 0 (180deg=-0.039) USER MOD Single : A 106 SER OG : rot -38:sc= -0.658 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -3.22! C(o=-3.2!,f=-5.1!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.024) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 45:sc= 0.977 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.244 7.643 16.916 1.00 0.00 N ATOM 2 CA GLY A 1 -10.490 8.988 17.401 1.00 0.00 C ATOM 3 C GLY A 1 -9.228 9.664 17.901 1.00 0.00 C ATOM 4 O GLY A 1 -8.851 9.509 19.062 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.137 7.224 16.586 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.565 7.677 16.129 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.853 7.063 17.685 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.926 9.586 16.600 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.223 8.952 18.207 1.00 0.00 H new ATOM 8 N SER A 2 -8.573 10.414 17.021 1.00 0.00 N ATOM 9 CA SER A 2 -7.343 11.112 17.378 1.00 0.00 C ATOM 10 C SER A 2 -7.649 12.479 17.982 1.00 0.00 C ATOM 11 O SER A 2 -8.783 12.954 17.927 1.00 0.00 O ATOM 12 CB SER A 2 -6.448 11.274 16.147 1.00 0.00 C ATOM 13 OG SER A 2 -7.058 12.111 15.180 1.00 0.00 O ATOM 0 H SER A 2 -8.873 10.554 16.056 1.00 0.00 H new ATOM 0 HA SER A 2 -6.819 10.514 18.124 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.488 11.696 16.444 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.245 10.296 15.710 1.00 0.00 H new ATOM 0 HG SER A 2 -6.928 11.728 14.287 1.00 0.00 H new ATOM 19 N SER A 3 -6.629 13.106 18.558 1.00 0.00 N ATOM 20 CA SER A 3 -6.788 14.417 19.177 1.00 0.00 C ATOM 21 C SER A 3 -5.463 15.172 19.198 1.00 0.00 C ATOM 22 O SER A 3 -4.425 14.640 18.805 1.00 0.00 O ATOM 23 CB SER A 3 -7.328 14.271 20.601 1.00 0.00 C ATOM 24 OG SER A 3 -7.861 15.496 21.073 1.00 0.00 O ATOM 0 H SER A 3 -5.683 12.728 18.609 1.00 0.00 H new ATOM 0 HA SER A 3 -7.502 14.987 18.583 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.100 13.502 20.623 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.529 13.939 21.264 1.00 0.00 H new ATOM 0 HG SER A 3 -8.201 15.375 21.984 1.00 0.00 H new ATOM 30 N GLY A 4 -5.506 16.418 19.660 1.00 0.00 N ATOM 31 CA GLY A 4 -4.303 17.228 19.725 1.00 0.00 C ATOM 32 C GLY A 4 -3.650 17.406 18.369 1.00 0.00 C ATOM 33 O GLY A 4 -3.097 16.459 17.810 1.00 0.00 O ATOM 0 H GLY A 4 -6.353 16.881 19.991 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.549 18.206 20.137 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.593 16.764 20.409 1.00 0.00 H new ATOM 37 N SER A 5 -3.717 18.622 17.836 1.00 0.00 N ATOM 38 CA SER A 5 -3.132 18.919 16.534 1.00 0.00 C ATOM 39 C SER A 5 -2.061 20.000 16.653 1.00 0.00 C ATOM 40 O SER A 5 -1.978 20.901 15.819 1.00 0.00 O ATOM 41 CB SER A 5 -4.218 19.368 15.555 1.00 0.00 C ATOM 42 OG SER A 5 -4.899 20.513 16.037 1.00 0.00 O ATOM 0 H SER A 5 -4.171 19.417 18.286 1.00 0.00 H new ATOM 0 HA SER A 5 -2.665 18.009 16.157 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.770 19.589 14.586 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.929 18.557 15.399 1.00 0.00 H new ATOM 0 HG SER A 5 -5.587 20.780 15.392 1.00 0.00 H new ATOM 48 N SER A 6 -1.244 19.901 17.696 1.00 0.00 N ATOM 49 CA SER A 6 -0.180 20.871 17.928 1.00 0.00 C ATOM 50 C SER A 6 1.185 20.265 17.615 1.00 0.00 C ATOM 51 O SER A 6 1.489 19.146 18.025 1.00 0.00 O ATOM 52 CB SER A 6 -0.213 21.359 19.378 1.00 0.00 C ATOM 53 OG SER A 6 -1.263 22.290 19.578 1.00 0.00 O ATOM 0 H SER A 6 -1.298 19.159 18.394 1.00 0.00 H new ATOM 0 HA SER A 6 -0.344 21.719 17.263 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.343 20.509 20.048 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.741 21.822 19.631 1.00 0.00 H new ATOM 0 HG SER A 6 -1.264 22.586 20.512 1.00 0.00 H new ATOM 59 N GLY A 7 2.005 21.015 16.884 1.00 0.00 N ATOM 60 CA GLY A 7 3.328 20.536 16.527 1.00 0.00 C ATOM 61 C GLY A 7 3.430 20.153 15.065 1.00 0.00 C ATOM 62 O GLY A 7 2.882 20.831 14.196 1.00 0.00 O ATOM 0 H GLY A 7 1.777 21.945 16.533 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.063 21.309 16.749 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.577 19.673 17.144 1.00 0.00 H new ATOM 66 N THR A 8 4.137 19.061 14.789 1.00 0.00 N ATOM 67 CA THR A 8 4.313 18.589 13.421 1.00 0.00 C ATOM 68 C THR A 8 3.103 17.786 12.957 1.00 0.00 C ATOM 69 O THR A 8 2.578 16.954 13.696 1.00 0.00 O ATOM 70 CB THR A 8 5.576 17.718 13.285 1.00 0.00 C ATOM 71 OG1 THR A 8 5.525 16.632 14.217 1.00 0.00 O ATOM 72 CG2 THR A 8 6.831 18.543 13.529 1.00 0.00 C ATOM 0 H THR A 8 4.597 18.487 15.495 1.00 0.00 H new ATOM 0 HA THR A 8 4.422 19.473 12.793 1.00 0.00 H new ATOM 0 HB THR A 8 5.611 17.324 12.269 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.331 16.082 14.123 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.710 17.907 13.428 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.882 19.352 12.800 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.801 18.963 14.535 1.00 0.00 H new ATOM 80 N ALA A 9 2.666 18.040 11.728 1.00 0.00 N ATOM 81 CA ALA A 9 1.520 17.338 11.164 1.00 0.00 C ATOM 82 C ALA A 9 1.819 16.843 9.753 1.00 0.00 C ATOM 83 O ALA A 9 2.475 17.530 8.972 1.00 0.00 O ATOM 84 CB ALA A 9 0.297 18.243 11.161 1.00 0.00 C ATOM 0 H ALA A 9 3.089 18.727 11.104 1.00 0.00 H new ATOM 0 HA ALA A 9 1.314 16.469 11.789 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.552 17.706 10.737 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.063 18.542 12.183 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.502 19.130 10.561 1.00 0.00 H new ATOM 90 N GLN A 10 1.333 15.647 9.435 1.00 0.00 N ATOM 91 CA GLN A 10 1.550 15.061 8.118 1.00 0.00 C ATOM 92 C GLN A 10 0.603 13.889 7.881 1.00 0.00 C ATOM 93 O GLN A 10 0.483 12.995 8.719 1.00 0.00 O ATOM 94 CB GLN A 10 3.000 14.596 7.976 1.00 0.00 C ATOM 95 CG GLN A 10 3.343 13.396 8.845 1.00 0.00 C ATOM 96 CD GLN A 10 4.833 13.254 9.084 1.00 0.00 C ATOM 97 OE1 GLN A 10 5.448 14.085 9.754 1.00 0.00 O ATOM 98 NE2 GLN A 10 5.423 12.198 8.536 1.00 0.00 N ATOM 0 H GLN A 10 0.787 15.066 10.071 1.00 0.00 H new ATOM 0 HA GLN A 10 1.346 15.827 7.370 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.192 14.345 6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.664 15.421 8.233 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.833 13.489 9.804 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.967 12.490 8.370 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.875 11.535 7.988 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.424 12.050 8.663 1.00 0.00 H new ATOM 107 N LEU A 11 -0.069 13.901 6.735 1.00 0.00 N ATOM 108 CA LEU A 11 -1.007 12.839 6.387 1.00 0.00 C ATOM 109 C LEU A 11 -0.505 11.486 6.881 1.00 0.00 C ATOM 110 O LEU A 11 0.646 11.116 6.652 1.00 0.00 O ATOM 111 CB LEU A 11 -1.219 12.795 4.873 1.00 0.00 C ATOM 112 CG LEU A 11 -2.602 12.346 4.402 1.00 0.00 C ATOM 113 CD1 LEU A 11 -2.652 12.274 2.883 1.00 0.00 C ATOM 114 CD2 LEU A 11 -2.963 10.999 5.012 1.00 0.00 C ATOM 0 H LEU A 11 0.018 14.634 6.031 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.958 13.053 6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.025 13.789 4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.475 12.125 4.441 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.334 13.082 4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.644 11.953 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.439 13.258 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.909 11.560 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.951 10.696 4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.227 10.254 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.970 11.082 6.099 1.00 0.00 H new ATOM 126 N THR A 12 -1.379 10.749 7.560 1.00 0.00 N ATOM 127 CA THR A 12 -1.026 9.436 8.086 1.00 0.00 C ATOM 128 C THR A 12 -2.235 8.509 8.106 1.00 0.00 C ATOM 129 O THR A 12 -3.342 8.908 7.743 1.00 0.00 O ATOM 130 CB THR A 12 -0.448 9.539 9.511 1.00 0.00 C ATOM 131 OG1 THR A 12 0.099 8.277 9.909 1.00 0.00 O ATOM 132 CG2 THR A 12 -1.521 9.967 10.500 1.00 0.00 C ATOM 0 H THR A 12 -2.336 11.039 7.758 1.00 0.00 H new ATOM 0 HA THR A 12 -0.266 9.023 7.422 1.00 0.00 H new ATOM 0 HB THR A 12 0.341 10.292 9.507 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.466 8.351 10.815 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.090 10.033 11.499 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.915 10.941 10.210 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.328 9.234 10.501 1.00 0.00 H new ATOM 140 N ILE A 13 -2.017 7.269 8.533 1.00 0.00 N ATOM 141 CA ILE A 13 -3.091 6.286 8.602 1.00 0.00 C ATOM 142 C ILE A 13 -2.950 5.404 9.838 1.00 0.00 C ATOM 143 O ILE A 13 -1.888 4.835 10.088 1.00 0.00 O ATOM 144 CB ILE A 13 -3.117 5.392 7.348 1.00 0.00 C ATOM 145 CG1 ILE A 13 -3.530 6.209 6.121 1.00 0.00 C ATOM 146 CG2 ILE A 13 -4.064 4.219 7.552 1.00 0.00 C ATOM 147 CD1 ILE A 13 -3.156 5.558 4.808 1.00 0.00 C ATOM 0 H ILE A 13 -1.107 6.922 8.836 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.026 6.843 8.661 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.114 4.999 7.180 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.608 6.366 6.145 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.063 7.193 6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.071 3.597 6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.730 3.626 8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.070 4.593 7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.479 6.192 3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.075 5.426 4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.644 4.586 4.732 1.00 0.00 H new ATOM 159 N GLU A 14 -4.030 5.293 10.606 1.00 0.00 N ATOM 160 CA GLU A 14 -4.026 4.479 11.815 1.00 0.00 C ATOM 161 C GLU A 14 -5.113 3.410 11.755 1.00 0.00 C ATOM 162 O GLU A 14 -6.304 3.717 11.804 1.00 0.00 O ATOM 163 CB GLU A 14 -4.229 5.360 13.050 1.00 0.00 C ATOM 164 CG GLU A 14 -4.165 4.594 14.361 1.00 0.00 C ATOM 165 CD GLU A 14 -3.818 5.482 15.539 1.00 0.00 C ATOM 166 OE1 GLU A 14 -4.734 6.136 16.080 1.00 0.00 O ATOM 167 OE2 GLU A 14 -2.629 5.523 15.921 1.00 0.00 O ATOM 0 H GLU A 14 -4.918 5.756 10.412 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.058 3.984 11.886 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.469 6.141 13.058 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.196 5.857 12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.126 4.113 14.544 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.422 3.800 14.278 1.00 0.00 H new ATOM 174 N ALA A 15 -4.694 2.154 11.647 1.00 0.00 N ATOM 175 CA ALA A 15 -5.631 1.039 11.582 1.00 0.00 C ATOM 176 C ALA A 15 -6.453 0.936 12.862 1.00 0.00 C ATOM 177 O ALA A 15 -5.926 1.086 13.964 1.00 0.00 O ATOM 178 CB ALA A 15 -4.885 -0.263 11.325 1.00 0.00 C ATOM 0 H ALA A 15 -3.712 1.883 11.603 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.317 1.222 10.755 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.597 -1.087 11.279 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.348 -0.194 10.379 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.175 -0.441 12.133 1.00 0.00 H new ATOM 184 N VAL A 16 -7.749 0.682 12.709 1.00 0.00 N ATOM 185 CA VAL A 16 -8.644 0.559 13.853 1.00 0.00 C ATOM 186 C VAL A 16 -9.628 -0.590 13.660 1.00 0.00 C ATOM 187 O VAL A 16 -10.552 -0.519 12.851 1.00 0.00 O ATOM 188 CB VAL A 16 -9.432 1.861 14.091 1.00 0.00 C ATOM 189 CG1 VAL A 16 -10.369 1.708 15.280 1.00 0.00 C ATOM 190 CG2 VAL A 16 -8.481 3.029 14.298 1.00 0.00 C ATOM 0 H VAL A 16 -8.202 0.557 11.804 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.020 0.356 14.723 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.036 2.067 13.207 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.917 2.638 15.433 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.073 0.899 15.086 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.789 1.478 16.173 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.055 3.940 14.465 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.849 2.835 15.165 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.856 3.151 13.413 1.00 0.00 H new ATOM 200 N PRO A 17 -9.426 -1.675 14.422 1.00 0.00 N ATOM 201 CA PRO A 17 -8.328 -1.771 15.389 1.00 0.00 C ATOM 202 C PRO A 17 -6.966 -1.873 14.711 1.00 0.00 C ATOM 203 O PRO A 17 -6.869 -1.852 13.484 1.00 0.00 O ATOM 204 CB PRO A 17 -8.642 -3.059 16.155 1.00 0.00 C ATOM 205 CG PRO A 17 -9.454 -3.874 15.209 1.00 0.00 C ATOM 206 CD PRO A 17 -10.254 -2.893 14.398 1.00 0.00 C ATOM 0 HA PRO A 17 -8.264 -0.887 16.023 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.729 -3.580 16.444 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.194 -2.850 17.072 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.814 -4.480 14.568 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.108 -4.560 15.747 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.415 -3.250 13.381 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.238 -2.719 14.834 1.00 0.00 H new ATOM 214 N SER A 18 -5.915 -1.984 15.518 1.00 0.00 N ATOM 215 CA SER A 18 -4.558 -2.086 14.995 1.00 0.00 C ATOM 216 C SER A 18 -4.163 -3.545 14.789 1.00 0.00 C ATOM 217 O SER A 18 -3.329 -3.860 13.941 1.00 0.00 O ATOM 218 CB SER A 18 -3.570 -1.409 15.947 1.00 0.00 C ATOM 219 OG SER A 18 -2.352 -1.108 15.289 1.00 0.00 O ATOM 0 H SER A 18 -5.978 -2.006 16.536 1.00 0.00 H new ATOM 0 HA SER A 18 -4.528 -1.580 14.030 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.010 -0.493 16.341 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.375 -2.061 16.798 1.00 0.00 H new ATOM 0 HG SER A 18 -1.739 -0.675 15.919 1.00 0.00 H new ATOM 225 N ASN A 19 -4.770 -4.432 15.571 1.00 0.00 N ATOM 226 CA ASN A 19 -4.482 -5.859 15.476 1.00 0.00 C ATOM 227 C ASN A 19 -5.771 -6.676 15.492 1.00 0.00 C ATOM 228 O ASN A 19 -6.228 -7.112 16.548 1.00 0.00 O ATOM 229 CB ASN A 19 -3.574 -6.295 16.627 1.00 0.00 C ATOM 230 CG ASN A 19 -4.269 -6.221 17.972 1.00 0.00 C ATOM 231 OD1 ASN A 19 -4.843 -5.192 18.331 1.00 0.00 O ATOM 232 ND2 ASN A 19 -4.220 -7.314 18.725 1.00 0.00 N ATOM 0 H ASN A 19 -5.464 -4.188 16.277 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.970 -6.039 14.531 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.235 -7.316 16.452 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.686 -5.663 16.645 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.669 -7.323 19.641 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.733 -8.144 18.388 1.00 0.00 H new ATOM 239 N ALA A 20 -6.351 -6.879 14.314 1.00 0.00 N ATOM 240 CA ALA A 20 -7.585 -7.645 14.192 1.00 0.00 C ATOM 241 C ALA A 20 -7.293 -9.132 14.014 1.00 0.00 C ATOM 242 O ALA A 20 -6.138 -9.535 13.885 1.00 0.00 O ATOM 243 CB ALA A 20 -8.417 -7.126 13.029 1.00 0.00 C ATOM 0 H ALA A 20 -5.986 -6.524 13.430 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.153 -7.520 15.114 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.335 -7.708 12.950 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.665 -6.078 13.198 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.848 -7.220 12.104 1.00 0.00 H new ATOM 249 N ALA A 21 -8.347 -9.941 14.009 1.00 0.00 N ATOM 250 CA ALA A 21 -8.203 -11.382 13.845 1.00 0.00 C ATOM 251 C ALA A 21 -8.749 -11.838 12.496 1.00 0.00 C ATOM 252 O ALA A 21 -9.243 -11.030 11.711 1.00 0.00 O ATOM 253 CB ALA A 21 -8.907 -12.115 14.977 1.00 0.00 C ATOM 0 H ALA A 21 -9.310 -9.623 14.117 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.140 -11.622 13.877 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.791 -13.190 14.842 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.468 -11.820 15.930 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.967 -11.861 14.972 1.00 0.00 H new ATOM 259 N GLU A 22 -8.655 -13.138 12.234 1.00 0.00 N ATOM 260 CA GLU A 22 -9.139 -13.701 10.979 1.00 0.00 C ATOM 261 C GLU A 22 -10.662 -13.636 10.905 1.00 0.00 C ATOM 262 O GLU A 22 -11.360 -14.196 11.750 1.00 0.00 O ATOM 263 CB GLU A 22 -8.672 -15.150 10.830 1.00 0.00 C ATOM 264 CG GLU A 22 -7.334 -15.288 10.122 1.00 0.00 C ATOM 265 CD GLU A 22 -6.797 -16.705 10.161 1.00 0.00 C ATOM 266 OE1 GLU A 22 -6.199 -17.085 11.191 1.00 0.00 O ATOM 267 OE2 GLU A 22 -6.973 -17.435 9.164 1.00 0.00 O ATOM 0 H GLU A 22 -8.248 -13.821 12.874 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.727 -13.108 10.162 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.599 -15.603 11.819 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.426 -15.711 10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.442 -14.973 9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.611 -14.617 10.585 1.00 0.00 H new ATOM 274 N GLY A 23 -11.171 -12.948 9.888 1.00 0.00 N ATOM 275 CA GLY A 23 -12.607 -12.821 9.722 1.00 0.00 C ATOM 276 C GLY A 23 -13.164 -11.589 10.407 1.00 0.00 C ATOM 277 O GLY A 23 -14.370 -11.486 10.632 1.00 0.00 O ATOM 0 H GLY A 23 -10.614 -12.476 9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.844 -12.780 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.096 -13.708 10.124 1.00 0.00 H new ATOM 281 N LYS A 24 -12.283 -10.652 10.742 1.00 0.00 N ATOM 282 CA LYS A 24 -12.692 -9.420 11.406 1.00 0.00 C ATOM 283 C LYS A 24 -12.659 -8.242 10.437 1.00 0.00 C ATOM 284 O LYS A 24 -12.340 -8.405 9.260 1.00 0.00 O ATOM 285 CB LYS A 24 -11.781 -9.135 12.603 1.00 0.00 C ATOM 286 CG LYS A 24 -11.850 -10.198 13.686 1.00 0.00 C ATOM 287 CD LYS A 24 -13.179 -10.161 14.421 1.00 0.00 C ATOM 288 CE LYS A 24 -13.158 -9.154 15.561 1.00 0.00 C ATOM 289 NZ LYS A 24 -14.174 -9.472 16.601 1.00 0.00 N ATOM 0 H LYS A 24 -11.281 -10.723 10.564 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.715 -9.549 11.758 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.752 -9.050 12.254 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.052 -8.171 13.034 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.707 -11.182 13.240 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.036 -10.049 14.396 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.975 -9.905 13.722 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.406 -11.152 14.814 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.167 -9.139 16.014 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.343 -8.155 15.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.128 -8.763 17.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.122 -9.461 16.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.983 -10.415 16.996 1.00 0.00 H new ATOM 303 N GLU A 25 -12.988 -7.057 10.942 1.00 0.00 N ATOM 304 CA GLU A 25 -12.995 -5.853 10.119 1.00 0.00 C ATOM 305 C GLU A 25 -11.982 -4.835 10.637 1.00 0.00 C ATOM 306 O GLU A 25 -11.782 -4.701 11.844 1.00 0.00 O ATOM 307 CB GLU A 25 -14.393 -5.231 10.097 1.00 0.00 C ATOM 308 CG GLU A 25 -15.512 -6.254 9.991 1.00 0.00 C ATOM 309 CD GLU A 25 -16.789 -5.793 10.667 1.00 0.00 C ATOM 310 OE1 GLU A 25 -16.891 -5.937 11.903 1.00 0.00 O ATOM 311 OE2 GLU A 25 -17.686 -5.289 9.959 1.00 0.00 O ATOM 0 H GLU A 25 -13.253 -6.905 11.915 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.715 -6.136 9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.534 -4.643 11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.462 -4.541 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.715 -6.458 8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.186 -7.192 10.440 1.00 0.00 H new ATOM 318 N VAL A 26 -11.346 -4.121 9.714 1.00 0.00 N ATOM 319 CA VAL A 26 -10.354 -3.115 10.075 1.00 0.00 C ATOM 320 C VAL A 26 -10.600 -1.808 9.331 1.00 0.00 C ATOM 321 O VAL A 26 -10.578 -1.768 8.100 1.00 0.00 O ATOM 322 CB VAL A 26 -8.924 -3.603 9.774 1.00 0.00 C ATOM 323 CG1 VAL A 26 -7.909 -2.519 10.105 1.00 0.00 C ATOM 324 CG2 VAL A 26 -8.624 -4.880 10.545 1.00 0.00 C ATOM 0 H VAL A 26 -11.500 -4.220 8.711 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.454 -2.944 11.147 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.850 -3.823 8.709 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.905 -2.882 9.886 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.114 -1.633 9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.980 -2.265 11.162 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.610 -5.211 10.321 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.715 -4.689 11.614 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.332 -5.656 10.253 1.00 0.00 H new ATOM 334 N LEU A 27 -10.835 -0.740 10.085 1.00 0.00 N ATOM 335 CA LEU A 27 -11.086 0.572 9.496 1.00 0.00 C ATOM 336 C LEU A 27 -9.833 1.440 9.547 1.00 0.00 C ATOM 337 O LEU A 27 -9.503 2.013 10.587 1.00 0.00 O ATOM 338 CB LEU A 27 -12.234 1.270 10.228 1.00 0.00 C ATOM 339 CG LEU A 27 -12.351 2.778 10.008 1.00 0.00 C ATOM 340 CD1 LEU A 27 -12.942 3.074 8.638 1.00 0.00 C ATOM 341 CD2 LEU A 27 -13.195 3.413 11.103 1.00 0.00 C ATOM 0 H LEU A 27 -10.857 -0.756 11.105 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.363 0.428 8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.171 0.804 9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.122 1.086 11.297 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.351 3.210 10.051 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.018 4.153 8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.298 2.653 7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.934 2.629 8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.267 4.487 10.930 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.193 2.976 11.093 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.730 3.232 12.072 1.00 0.00 H new ATOM 353 N LEU A 28 -9.138 1.534 8.419 1.00 0.00 N ATOM 354 CA LEU A 28 -7.922 2.334 8.334 1.00 0.00 C ATOM 355 C LEU A 28 -8.249 3.824 8.324 1.00 0.00 C ATOM 356 O LEU A 28 -8.583 4.391 7.282 1.00 0.00 O ATOM 357 CB LEU A 28 -7.132 1.966 7.076 1.00 0.00 C ATOM 358 CG LEU A 28 -6.628 0.525 6.998 1.00 0.00 C ATOM 359 CD1 LEU A 28 -6.152 0.201 5.590 1.00 0.00 C ATOM 360 CD2 LEU A 28 -5.511 0.295 8.006 1.00 0.00 C ATOM 0 H LEU A 28 -9.396 1.066 7.550 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.315 2.120 9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.762 2.157 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.274 2.634 7.001 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.455 -0.142 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.797 -0.829 5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.978 0.325 4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.340 0.875 5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.165 -0.736 7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.683 0.971 7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.884 0.485 9.012 1.00 0.00 H new ATOM 372 N LEU A 29 -8.151 4.453 9.490 1.00 0.00 N ATOM 373 CA LEU A 29 -8.435 5.879 9.616 1.00 0.00 C ATOM 374 C LEU A 29 -7.283 6.714 9.065 1.00 0.00 C ATOM 375 O LEU A 29 -6.175 6.214 8.876 1.00 0.00 O ATOM 376 CB LEU A 29 -8.688 6.241 11.080 1.00 0.00 C ATOM 377 CG LEU A 29 -10.140 6.150 11.553 1.00 0.00 C ATOM 378 CD1 LEU A 29 -10.217 6.271 13.067 1.00 0.00 C ATOM 379 CD2 LEU A 29 -10.985 7.226 10.887 1.00 0.00 C ATOM 0 H LEU A 29 -7.877 3.999 10.361 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.330 6.099 9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.081 5.586 11.705 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.335 7.259 11.248 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.535 5.175 11.267 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.257 6.204 13.385 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.645 5.465 13.526 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.804 7.231 13.377 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.015 7.147 11.235 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.590 8.209 11.143 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.956 7.094 9.805 1.00 0.00 H new ATOM 391 N VAL A 30 -7.553 7.991 8.812 1.00 0.00 N ATOM 392 CA VAL A 30 -6.539 8.897 8.287 1.00 0.00 C ATOM 393 C VAL A 30 -6.517 10.208 9.066 1.00 0.00 C ATOM 394 O VAL A 30 -7.558 10.704 9.498 1.00 0.00 O ATOM 395 CB VAL A 30 -6.777 9.202 6.796 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.554 9.868 6.185 1.00 0.00 C ATOM 397 CG2 VAL A 30 -7.135 7.930 6.043 1.00 0.00 C ATOM 0 H VAL A 30 -8.466 8.421 8.962 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.578 8.395 8.399 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.616 9.893 6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.741 10.076 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.349 10.802 6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.694 9.204 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.300 8.164 4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.319 7.213 6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.043 7.500 6.466 1.00 0.00 H new ATOM 407 N HIS A 31 -5.323 10.765 9.241 1.00 0.00 N ATOM 408 CA HIS A 31 -5.165 12.020 9.968 1.00 0.00 C ATOM 409 C HIS A 31 -4.320 13.008 9.168 1.00 0.00 C ATOM 410 O HIS A 31 -3.602 12.621 8.247 1.00 0.00 O ATOM 411 CB HIS A 31 -4.522 11.767 11.331 1.00 0.00 C ATOM 412 CG HIS A 31 -5.050 10.550 12.026 1.00 0.00 C ATOM 413 ND1 HIS A 31 -6.361 10.425 12.433 1.00 0.00 N ATOM 414 CD2 HIS A 31 -4.435 9.398 12.384 1.00 0.00 C ATOM 415 CE1 HIS A 31 -6.530 9.250 13.013 1.00 0.00 C ATOM 416 NE2 HIS A 31 -5.376 8.607 12.995 1.00 0.00 N ATOM 0 H HIS A 31 -4.452 10.368 8.890 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.154 12.452 10.117 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.445 11.663 11.202 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.684 12.637 11.967 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -7.087 11.130 12.306 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.397 9.148 12.219 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.454 8.878 13.431 1.00 0.00 H new ATOM 425 N ASN A 32 -4.411 14.284 9.528 1.00 0.00 N ATOM 426 CA ASN A 32 -3.656 15.327 8.843 1.00 0.00 C ATOM 427 C ASN A 32 -4.044 15.401 7.369 1.00 0.00 C ATOM 428 O ASN A 32 -3.248 15.819 6.527 1.00 0.00 O ATOM 429 CB ASN A 32 -2.154 15.067 8.974 1.00 0.00 C ATOM 430 CG ASN A 32 -1.682 15.121 10.415 1.00 0.00 C ATOM 431 OD1 ASN A 32 -1.988 16.063 11.145 1.00 0.00 O ATOM 432 ND2 ASN A 32 -0.931 14.107 10.829 1.00 0.00 N ATOM 0 H ASN A 32 -5.000 14.621 10.290 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.895 16.282 9.312 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.919 14.089 8.554 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.608 15.805 8.387 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.583 14.088 11.788 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.702 13.347 10.188 1.00 0.00 H new ATOM 439 N LEU A 33 -5.271 14.993 7.065 1.00 0.00 N ATOM 440 CA LEU A 33 -5.765 15.013 5.693 1.00 0.00 C ATOM 441 C LEU A 33 -5.653 16.412 5.094 1.00 0.00 C ATOM 442 O LEU A 33 -5.534 17.410 5.804 1.00 0.00 O ATOM 443 CB LEU A 33 -7.220 14.542 5.647 1.00 0.00 C ATOM 444 CG LEU A 33 -7.433 13.036 5.497 1.00 0.00 C ATOM 445 CD1 LEU A 33 -8.897 12.680 5.703 1.00 0.00 C ATOM 446 CD2 LEU A 33 -6.955 12.563 4.132 1.00 0.00 C ATOM 0 H LEU A 33 -5.942 14.644 7.750 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.150 14.334 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.716 14.870 6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.717 15.044 4.817 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.846 12.528 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.029 11.604 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.208 12.983 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.505 13.198 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.114 11.488 4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.515 13.079 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.893 12.783 4.022 1.00 0.00 H new ATOM 458 N PRO A 34 -5.694 16.488 3.755 1.00 0.00 N ATOM 459 CA PRO A 34 -5.601 17.759 3.031 1.00 0.00 C ATOM 460 C PRO A 34 -6.843 18.624 3.216 1.00 0.00 C ATOM 461 O PRO A 34 -7.912 18.122 3.563 1.00 0.00 O ATOM 462 CB PRO A 34 -5.463 17.326 1.570 1.00 0.00 C ATOM 463 CG PRO A 34 -6.100 15.980 1.512 1.00 0.00 C ATOM 464 CD PRO A 34 -5.834 15.338 2.846 1.00 0.00 C ATOM 0 HA PRO A 34 -4.773 18.372 3.388 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.960 18.028 0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.417 17.282 1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.171 16.063 1.325 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.680 15.384 0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.652 14.684 3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.930 14.729 2.826 1.00 0.00 H new ATOM 472 N GLN A 35 -6.694 19.923 2.982 1.00 0.00 N ATOM 473 CA GLN A 35 -7.805 20.857 3.123 1.00 0.00 C ATOM 474 C GLN A 35 -8.938 20.504 2.164 1.00 0.00 C ATOM 475 O GLN A 35 -10.084 20.333 2.578 1.00 0.00 O ATOM 476 CB GLN A 35 -7.332 22.289 2.867 1.00 0.00 C ATOM 477 CG GLN A 35 -6.635 22.469 1.528 1.00 0.00 C ATOM 478 CD GLN A 35 -5.890 23.786 1.431 1.00 0.00 C ATOM 479 OE1 GLN A 35 -4.659 23.816 1.413 1.00 0.00 O ATOM 480 NE2 GLN A 35 -6.633 24.884 1.367 1.00 0.00 N ATOM 0 H GLN A 35 -5.815 20.353 2.694 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.181 20.783 4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.190 22.960 2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.651 22.586 3.665 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.935 21.648 1.374 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.373 22.414 0.728 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.650 24.813 1.385 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.187 25.799 1.300 1.00 0.00 H new ATOM 489 N ASP A 36 -8.608 20.397 0.881 1.00 0.00 N ATOM 490 CA ASP A 36 -9.597 20.064 -0.137 1.00 0.00 C ATOM 491 C ASP A 36 -9.103 18.925 -1.023 1.00 0.00 C ATOM 492 O ASP A 36 -8.433 19.138 -2.033 1.00 0.00 O ATOM 493 CB ASP A 36 -9.913 21.292 -0.993 1.00 0.00 C ATOM 494 CG ASP A 36 -9.983 22.566 -0.173 1.00 0.00 C ATOM 495 OD1 ASP A 36 -10.758 22.600 0.806 1.00 0.00 O ATOM 496 OD2 ASP A 36 -9.263 23.528 -0.511 1.00 0.00 O ATOM 0 H ASP A 36 -7.663 20.536 0.522 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.506 19.739 0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.150 21.401 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.863 21.140 -1.505 1.00 0.00 H new ATOM 501 N PRO A 37 -9.439 17.685 -0.636 1.00 0.00 N ATOM 502 CA PRO A 37 -9.039 16.488 -1.381 1.00 0.00 C ATOM 503 C PRO A 37 -9.759 16.371 -2.720 1.00 0.00 C ATOM 504 O PRO A 37 -10.896 16.820 -2.866 1.00 0.00 O ATOM 505 CB PRO A 37 -9.447 15.341 -0.453 1.00 0.00 C ATOM 506 CG PRO A 37 -10.551 15.898 0.377 1.00 0.00 C ATOM 507 CD PRO A 37 -10.236 17.358 0.558 1.00 0.00 C ATOM 0 HA PRO A 37 -7.978 16.498 -1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.779 14.472 -1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.611 15.017 0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.515 15.765 -0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.611 15.389 1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.142 17.961 0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.677 17.538 1.476 1.00 0.00 H new ATOM 515 N ARG A 38 -9.090 15.765 -3.696 1.00 0.00 N ATOM 516 CA ARG A 38 -9.666 15.590 -5.023 1.00 0.00 C ATOM 517 C ARG A 38 -10.083 14.139 -5.248 1.00 0.00 C ATOM 518 O ARG A 38 -11.024 13.861 -5.990 1.00 0.00 O ATOM 519 CB ARG A 38 -8.665 16.016 -6.098 1.00 0.00 C ATOM 520 CG ARG A 38 -9.317 16.457 -7.398 1.00 0.00 C ATOM 521 CD ARG A 38 -8.287 16.974 -8.390 1.00 0.00 C ATOM 522 NE ARG A 38 -8.857 17.956 -9.309 1.00 0.00 N ATOM 523 CZ ARG A 38 -8.363 18.206 -10.516 1.00 0.00 C ATOM 524 NH1 ARG A 38 -7.294 17.550 -10.948 1.00 0.00 N ATOM 525 NH2 ARG A 38 -8.937 19.114 -11.295 1.00 0.00 N ATOM 0 H ARG A 38 -8.148 15.387 -3.592 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.553 16.220 -5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.056 16.833 -5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.990 15.185 -6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.858 15.619 -7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.050 17.237 -7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.456 17.425 -7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.880 16.138 -8.959 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.679 18.478 -9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.849 16.851 -10.353 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.917 17.744 -11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.759 19.621 -10.967 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.556 19.305 -12.222 1.00 0.00 H new ATOM 539 N GLY A 39 -9.374 13.218 -4.602 1.00 0.00 N ATOM 540 CA GLY A 39 -9.685 11.808 -4.745 1.00 0.00 C ATOM 541 C GLY A 39 -8.690 10.919 -4.026 1.00 0.00 C ATOM 542 O GLY A 39 -7.513 11.261 -3.910 1.00 0.00 O ATOM 0 H GLY A 39 -8.590 13.423 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.685 11.618 -4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.701 11.548 -5.803 1.00 0.00 H new ATOM 546 N TYR A 40 -9.162 9.776 -3.542 1.00 0.00 N ATOM 547 CA TYR A 40 -8.306 8.837 -2.826 1.00 0.00 C ATOM 548 C TYR A 40 -7.995 7.618 -3.689 1.00 0.00 C ATOM 549 O TYR A 40 -8.735 7.295 -4.617 1.00 0.00 O ATOM 550 CB TYR A 40 -8.973 8.397 -1.522 1.00 0.00 C ATOM 551 CG TYR A 40 -9.595 9.536 -0.746 1.00 0.00 C ATOM 552 CD1 TYR A 40 -8.819 10.586 -0.272 1.00 0.00 C ATOM 553 CD2 TYR A 40 -10.961 9.562 -0.488 1.00 0.00 C ATOM 554 CE1 TYR A 40 -9.383 11.628 0.438 1.00 0.00 C ATOM 555 CE2 TYR A 40 -11.534 10.601 0.219 1.00 0.00 C ATOM 556 CZ TYR A 40 -10.741 11.631 0.681 1.00 0.00 C ATOM 557 OH TYR A 40 -11.307 12.668 1.387 1.00 0.00 O ATOM 0 H TYR A 40 -10.133 9.477 -3.632 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.369 9.343 -2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -9.743 7.659 -1.748 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.232 7.902 -0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.756 10.588 -0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.584 8.756 -0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.765 12.436 0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.597 10.607 0.409 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.023 12.322 1.960 1.00 0.00 H new ATOM 567 N ASN A 41 -6.894 6.943 -3.373 1.00 0.00 N ATOM 568 CA ASN A 41 -6.484 5.758 -4.118 1.00 0.00 C ATOM 569 C ASN A 41 -5.729 4.784 -3.218 1.00 0.00 C ATOM 570 O ASN A 41 -4.617 5.068 -2.775 1.00 0.00 O ATOM 571 CB ASN A 41 -5.607 6.156 -5.307 1.00 0.00 C ATOM 572 CG ASN A 41 -5.908 7.556 -5.805 1.00 0.00 C ATOM 573 OD1 ASN A 41 -5.171 8.500 -5.520 1.00 0.00 O ATOM 574 ND2 ASN A 41 -6.996 7.696 -6.553 1.00 0.00 N ATOM 0 H ASN A 41 -6.270 7.196 -2.607 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.382 5.262 -4.487 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.558 6.094 -5.018 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.756 5.445 -6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.250 8.614 -6.917 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.578 6.885 -6.764 1.00 0.00 H new ATOM 581 N TRP A 42 -6.342 3.636 -2.954 1.00 0.00 N ATOM 582 CA TRP A 42 -5.728 2.619 -2.107 1.00 0.00 C ATOM 583 C TRP A 42 -5.017 1.566 -2.950 1.00 0.00 C ATOM 584 O TRP A 42 -5.629 0.924 -3.803 1.00 0.00 O ATOM 585 CB TRP A 42 -6.786 1.955 -1.224 1.00 0.00 C ATOM 586 CG TRP A 42 -7.198 2.797 -0.054 1.00 0.00 C ATOM 587 CD1 TRP A 42 -8.273 3.636 0.013 1.00 0.00 C ATOM 588 CD2 TRP A 42 -6.539 2.883 1.214 1.00 0.00 C ATOM 589 NE1 TRP A 42 -8.323 4.238 1.247 1.00 0.00 N ATOM 590 CE2 TRP A 42 -7.271 3.792 2.003 1.00 0.00 C ATOM 591 CE3 TRP A 42 -5.404 2.278 1.761 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -6.901 4.110 3.307 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.039 2.596 3.055 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.786 3.504 3.817 1.00 0.00 C ATOM 0 H TRP A 42 -7.263 3.386 -3.314 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.990 3.108 -1.471 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.665 1.731 -1.829 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.399 1.003 -0.859 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.980 3.802 -0.786 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.029 4.908 1.551 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.823 1.575 1.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.475 4.811 3.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.162 2.136 3.487 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.475 3.730 4.826 1.00 0.00 H new ATOM 605 N TYR A 43 -3.723 1.395 -2.705 1.00 0.00 N ATOM 606 CA TYR A 43 -2.928 0.420 -3.444 1.00 0.00 C ATOM 607 C TYR A 43 -2.359 -0.641 -2.507 1.00 0.00 C ATOM 608 O TYR A 43 -2.389 -0.489 -1.286 1.00 0.00 O ATOM 609 CB TYR A 43 -1.791 1.120 -4.191 1.00 0.00 C ATOM 610 CG TYR A 43 -2.265 2.189 -5.150 1.00 0.00 C ATOM 611 CD1 TYR A 43 -2.718 1.858 -6.421 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.259 3.529 -4.785 1.00 0.00 C ATOM 613 CE1 TYR A 43 -3.151 2.832 -7.300 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.691 4.509 -5.657 1.00 0.00 C ATOM 615 CZ TYR A 43 -3.135 4.156 -6.914 1.00 0.00 C ATOM 616 OH TYR A 43 -3.566 5.128 -7.787 1.00 0.00 O ATOM 0 H TYR A 43 -3.202 1.918 -2.001 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.580 -0.071 -4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.113 1.569 -3.465 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.218 0.376 -4.744 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.732 0.822 -6.727 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.910 3.810 -3.802 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.500 2.558 -8.285 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.681 5.546 -5.356 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.109 5.972 -7.589 1.00 0.00 H new ATOM 626 N LYS A 44 -1.840 -1.716 -3.089 1.00 0.00 N ATOM 627 CA LYS A 44 -1.261 -2.804 -2.309 1.00 0.00 C ATOM 628 C LYS A 44 0.248 -2.883 -2.522 1.00 0.00 C ATOM 629 O LYS A 44 0.714 -3.319 -3.573 1.00 0.00 O ATOM 630 CB LYS A 44 -1.911 -4.136 -2.692 1.00 0.00 C ATOM 631 CG LYS A 44 -1.570 -5.273 -1.745 1.00 0.00 C ATOM 632 CD LYS A 44 -2.376 -6.522 -2.061 1.00 0.00 C ATOM 633 CE LYS A 44 -2.192 -7.589 -0.992 1.00 0.00 C ATOM 634 NZ LYS A 44 -0.784 -8.068 -0.923 1.00 0.00 N ATOM 0 H LYS A 44 -1.808 -1.858 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.452 -2.603 -1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.993 -4.008 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.597 -4.407 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.506 -5.498 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.764 -4.963 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.432 -6.264 -2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.070 -6.919 -3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.487 -7.187 -0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.852 -8.431 -1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.714 -8.841 -0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.488 -8.413 -1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.165 -7.285 -0.631 1.00 0.00 H new ATOM 648 N GLY A 45 1.006 -2.460 -1.515 1.00 0.00 N ATOM 649 CA GLY A 45 2.454 -2.493 -1.611 1.00 0.00 C ATOM 650 C GLY A 45 3.111 -1.362 -0.846 1.00 0.00 C ATOM 651 O GLY A 45 2.480 -0.725 -0.004 1.00 0.00 O ATOM 0 H GLY A 45 0.643 -2.095 -0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.819 -3.446 -1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.747 -2.437 -2.659 1.00 0.00 H new ATOM 655 N GLU A 46 4.385 -1.114 -1.137 1.00 0.00 N ATOM 656 CA GLU A 46 5.128 -0.054 -0.467 1.00 0.00 C ATOM 657 C GLU A 46 5.351 1.130 -1.403 1.00 0.00 C ATOM 658 O GLU A 46 6.247 1.947 -1.189 1.00 0.00 O ATOM 659 CB GLU A 46 6.474 -0.583 0.034 1.00 0.00 C ATOM 660 CG GLU A 46 6.359 -1.488 1.248 1.00 0.00 C ATOM 661 CD GLU A 46 7.709 -1.952 1.760 1.00 0.00 C ATOM 662 OE1 GLU A 46 8.632 -1.116 1.839 1.00 0.00 O ATOM 663 OE2 GLU A 46 7.842 -3.152 2.080 1.00 0.00 O ATOM 0 H GLU A 46 4.923 -1.633 -1.832 1.00 0.00 H new ATOM 0 HA GLU A 46 4.539 0.285 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.962 -1.131 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.118 0.261 0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.836 -0.958 2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.753 -2.357 0.992 1.00 0.00 H new ATOM 670 N THR A 47 4.529 1.217 -2.444 1.00 0.00 N ATOM 671 CA THR A 47 4.636 2.299 -3.415 1.00 0.00 C ATOM 672 C THR A 47 3.424 2.331 -4.339 1.00 0.00 C ATOM 673 O THR A 47 2.631 1.389 -4.373 1.00 0.00 O ATOM 674 CB THR A 47 5.912 2.165 -4.267 1.00 0.00 C ATOM 675 OG1 THR A 47 5.684 2.692 -5.578 1.00 0.00 O ATOM 676 CG2 THR A 47 6.346 0.710 -4.368 1.00 0.00 C ATOM 0 H THR A 47 3.781 0.551 -2.636 1.00 0.00 H new ATOM 0 HA THR A 47 4.682 3.229 -2.848 1.00 0.00 H new ATOM 0 HB THR A 47 6.707 2.732 -3.782 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.501 2.604 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.249 0.641 -4.974 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.548 0.321 -3.370 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.552 0.125 -4.832 1.00 0.00 H new ATOM 684 N VAL A 48 3.284 3.420 -5.088 1.00 0.00 N ATOM 685 CA VAL A 48 2.169 3.574 -6.014 1.00 0.00 C ATOM 686 C VAL A 48 2.175 2.473 -7.068 1.00 0.00 C ATOM 687 O VAL A 48 2.931 2.532 -8.038 1.00 0.00 O ATOM 688 CB VAL A 48 2.208 4.943 -6.717 1.00 0.00 C ATOM 689 CG1 VAL A 48 0.997 5.114 -7.622 1.00 0.00 C ATOM 690 CG2 VAL A 48 2.281 6.066 -5.693 1.00 0.00 C ATOM 0 H VAL A 48 3.930 4.209 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 48 1.255 3.504 -5.424 1.00 0.00 H new ATOM 0 HB VAL A 48 3.104 4.988 -7.336 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.042 6.088 -8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.994 4.329 -8.378 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.086 5.048 -7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.308 7.026 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.405 6.026 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.183 5.952 -5.091 1.00 0.00 H new ATOM 700 N ASP A 49 1.326 1.470 -6.873 1.00 0.00 N ATOM 701 CA ASP A 49 1.231 0.355 -7.808 1.00 0.00 C ATOM 702 C ASP A 49 -0.117 0.357 -8.522 1.00 0.00 C ATOM 703 O ASP A 49 -1.131 -0.050 -7.955 1.00 0.00 O ATOM 704 CB ASP A 49 1.432 -0.972 -7.075 1.00 0.00 C ATOM 705 CG ASP A 49 1.918 -2.075 -7.996 1.00 0.00 C ATOM 706 OD1 ASP A 49 1.214 -2.379 -8.981 1.00 0.00 O ATOM 707 OD2 ASP A 49 3.004 -2.632 -7.731 1.00 0.00 O ATOM 0 H ASP A 49 0.693 1.406 -6.075 1.00 0.00 H new ATOM 0 HA ASP A 49 2.017 0.471 -8.554 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.152 -0.833 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.492 -1.275 -6.614 1.00 0.00 H new ATOM 712 N ALA A 50 -0.121 0.819 -9.768 1.00 0.00 N ATOM 713 CA ALA A 50 -1.344 0.874 -10.559 1.00 0.00 C ATOM 714 C ALA A 50 -1.856 -0.528 -10.875 1.00 0.00 C ATOM 715 O ALA A 50 -3.051 -0.729 -11.084 1.00 0.00 O ATOM 716 CB ALA A 50 -1.107 1.654 -11.843 1.00 0.00 C ATOM 0 H ALA A 50 0.710 1.161 -10.252 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.106 1.387 -9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.029 1.687 -12.424 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.795 2.670 -11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.327 1.165 -12.427 1.00 0.00 H new ATOM 722 N ASN A 51 -0.943 -1.493 -10.908 1.00 0.00 N ATOM 723 CA ASN A 51 -1.302 -2.876 -11.201 1.00 0.00 C ATOM 724 C ASN A 51 -1.999 -3.521 -10.006 1.00 0.00 C ATOM 725 O ASN A 51 -2.838 -4.407 -10.168 1.00 0.00 O ATOM 726 CB ASN A 51 -0.056 -3.681 -11.574 1.00 0.00 C ATOM 727 CG ASN A 51 0.252 -3.614 -13.057 1.00 0.00 C ATOM 728 OD1 ASN A 51 0.355 -4.641 -13.728 1.00 0.00 O ATOM 729 ND2 ASN A 51 0.402 -2.401 -13.576 1.00 0.00 N ATOM 0 H ASN A 51 0.051 -1.343 -10.735 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.991 -2.875 -12.045 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.798 -3.305 -11.011 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.198 -4.721 -11.282 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.611 -2.293 -14.568 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.308 -1.577 -12.982 1.00 0.00 H new ATOM 736 N ARG A 52 -1.646 -3.069 -8.807 1.00 0.00 N ATOM 737 CA ARG A 52 -2.236 -3.602 -7.586 1.00 0.00 C ATOM 738 C ARG A 52 -3.256 -2.627 -7.005 1.00 0.00 C ATOM 739 O ARG A 52 -3.485 -2.600 -5.795 1.00 0.00 O ATOM 740 CB ARG A 52 -1.146 -3.892 -6.552 1.00 0.00 C ATOM 741 CG ARG A 52 -0.052 -4.814 -7.064 1.00 0.00 C ATOM 742 CD ARG A 52 -0.623 -6.129 -7.571 1.00 0.00 C ATOM 743 NE ARG A 52 0.427 -7.080 -7.928 1.00 0.00 N ATOM 744 CZ ARG A 52 1.073 -7.829 -7.042 1.00 0.00 C ATOM 745 NH1 ARG A 52 0.778 -7.739 -5.753 1.00 0.00 N ATOM 746 NH2 ARG A 52 2.016 -8.671 -7.445 1.00 0.00 N ATOM 0 H ARG A 52 -0.954 -2.335 -8.656 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.748 -4.532 -7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.697 -2.950 -6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.604 -4.340 -5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.495 -4.320 -7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.663 -5.011 -6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.263 -6.566 -6.804 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.252 -5.940 -8.441 1.00 0.00 H new ATOM 0 HE ARG A 52 0.678 -7.174 -8.912 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.053 -7.093 -5.440 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.276 -8.315 -5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.245 -8.743 -8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.512 -9.246 -6.764 1.00 0.00 H new ATOM 760 N ARG A 53 -3.866 -1.828 -7.875 1.00 0.00 N ATOM 761 CA ARG A 53 -4.860 -0.851 -7.448 1.00 0.00 C ATOM 762 C ARG A 53 -6.089 -1.544 -6.866 1.00 0.00 C ATOM 763 O ARG A 53 -6.870 -2.157 -7.593 1.00 0.00 O ATOM 764 CB ARG A 53 -5.271 0.037 -8.624 1.00 0.00 C ATOM 765 CG ARG A 53 -6.435 0.963 -8.310 1.00 0.00 C ATOM 766 CD ARG A 53 -6.755 1.873 -9.486 1.00 0.00 C ATOM 767 NE ARG A 53 -5.687 2.835 -9.741 1.00 0.00 N ATOM 768 CZ ARG A 53 -4.650 2.588 -10.535 1.00 0.00 C ATOM 769 NH1 ARG A 53 -4.544 1.417 -11.148 1.00 0.00 N ATOM 770 NH2 ARG A 53 -3.718 3.514 -10.718 1.00 0.00 N ATOM 0 H ARG A 53 -3.689 -1.838 -8.879 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.413 -0.230 -6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.414 0.636 -8.933 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.539 -0.596 -9.470 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.314 0.371 -8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.195 1.568 -7.435 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.919 1.268 -10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.684 2.407 -9.288 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.739 3.746 -9.285 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.259 0.703 -11.011 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.747 1.230 -11.757 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.797 4.416 -10.249 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.923 3.324 -11.327 1.00 0.00 H new ATOM 784 N ILE A 54 -6.252 -1.442 -5.551 1.00 0.00 N ATOM 785 CA ILE A 54 -7.385 -2.058 -4.872 1.00 0.00 C ATOM 786 C ILE A 54 -8.689 -1.355 -5.231 1.00 0.00 C ATOM 787 O ILE A 54 -9.664 -1.996 -5.625 1.00 0.00 O ATOM 788 CB ILE A 54 -7.206 -2.035 -3.343 1.00 0.00 C ATOM 789 CG1 ILE A 54 -5.947 -2.807 -2.943 1.00 0.00 C ATOM 790 CG2 ILE A 54 -8.432 -2.618 -2.657 1.00 0.00 C ATOM 791 CD1 ILE A 54 -5.377 -2.385 -1.607 1.00 0.00 C ATOM 0 H ILE A 54 -5.614 -0.939 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.429 -3.094 -5.208 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.092 -1.000 -3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.179 -3.872 -2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.187 -2.670 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.290 -2.595 -1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.311 -2.029 -2.920 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.575 -3.649 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.486 -2.974 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.113 -1.328 -1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.120 -2.548 -0.826 1.00 0.00 H new ATOM 803 N ILE A 55 -8.699 -0.033 -5.093 1.00 0.00 N ATOM 804 CA ILE A 55 -9.883 0.758 -5.406 1.00 0.00 C ATOM 805 C ILE A 55 -9.582 2.251 -5.332 1.00 0.00 C ATOM 806 O ILE A 55 -8.770 2.692 -4.520 1.00 0.00 O ATOM 807 CB ILE A 55 -11.046 0.433 -4.449 1.00 0.00 C ATOM 808 CG1 ILE A 55 -12.369 0.933 -5.032 1.00 0.00 C ATOM 809 CG2 ILE A 55 -10.796 1.052 -3.082 1.00 0.00 C ATOM 810 CD1 ILE A 55 -13.568 0.121 -4.593 1.00 0.00 C ATOM 0 H ILE A 55 -7.901 0.512 -4.767 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.176 0.498 -6.423 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.108 -0.649 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.517 1.972 -4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.307 0.915 -6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.626 0.814 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.871 0.653 -2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.711 2.134 -3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.471 0.532 -5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.443 -0.914 -4.911 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.655 0.159 -3.507 1.00 0.00 H new ATOM 822 N GLY A 56 -10.243 3.025 -6.187 1.00 0.00 N ATOM 823 CA GLY A 56 -10.034 4.461 -6.202 1.00 0.00 C ATOM 824 C GLY A 56 -11.335 5.236 -6.270 1.00 0.00 C ATOM 825 O GLY A 56 -12.265 4.841 -6.973 1.00 0.00 O ATOM 0 H GLY A 56 -10.920 2.683 -6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.486 4.755 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.412 4.726 -7.057 1.00 0.00 H new ATOM 829 N TYR A 57 -11.401 6.342 -5.537 1.00 0.00 N ATOM 830 CA TYR A 57 -12.600 7.172 -5.514 1.00 0.00 C ATOM 831 C TYR A 57 -12.252 8.638 -5.757 1.00 0.00 C ATOM 832 O TYR A 57 -11.261 9.148 -5.235 1.00 0.00 O ATOM 833 CB TYR A 57 -13.322 7.024 -4.174 1.00 0.00 C ATOM 834 CG TYR A 57 -14.340 8.111 -3.911 1.00 0.00 C ATOM 835 CD1 TYR A 57 -15.555 8.130 -4.585 1.00 0.00 C ATOM 836 CD2 TYR A 57 -14.087 9.119 -2.989 1.00 0.00 C ATOM 837 CE1 TYR A 57 -16.487 9.121 -4.349 1.00 0.00 C ATOM 838 CE2 TYR A 57 -15.014 10.114 -2.746 1.00 0.00 C ATOM 839 CZ TYR A 57 -16.213 10.111 -3.428 1.00 0.00 C ATOM 840 OH TYR A 57 -17.138 11.100 -3.189 1.00 0.00 O ATOM 0 H TYR A 57 -10.639 6.684 -4.951 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.260 6.836 -6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.821 6.056 -4.145 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.585 7.027 -3.371 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.774 7.356 -5.306 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.149 9.125 -2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.426 9.121 -4.883 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -14.801 10.890 -2.026 1.00 0.00 H new ATOM 0 HH TYR A 57 -16.789 11.717 -2.512 1.00 0.00 H new ATOM 850 N VAL A 58 -13.076 9.310 -6.555 1.00 0.00 N ATOM 851 CA VAL A 58 -12.859 10.717 -6.868 1.00 0.00 C ATOM 852 C VAL A 58 -13.924 11.595 -6.221 1.00 0.00 C ATOM 853 O VAL A 58 -15.099 11.532 -6.585 1.00 0.00 O ATOM 854 CB VAL A 58 -12.862 10.961 -8.389 1.00 0.00 C ATOM 855 CG1 VAL A 58 -12.408 12.378 -8.703 1.00 0.00 C ATOM 856 CG2 VAL A 58 -11.981 9.941 -9.093 1.00 0.00 C ATOM 0 H VAL A 58 -13.900 8.902 -6.996 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.881 10.983 -6.467 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.881 10.842 -8.757 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.416 12.532 -9.782 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.084 13.090 -8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.398 12.529 -8.323 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.995 10.128 -10.167 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.959 10.026 -8.723 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.357 8.937 -8.895 1.00 0.00 H new ATOM 866 N ILE A 59 -13.507 12.413 -5.261 1.00 0.00 N ATOM 867 CA ILE A 59 -14.425 13.305 -4.565 1.00 0.00 C ATOM 868 C ILE A 59 -14.995 14.356 -5.512 1.00 0.00 C ATOM 869 O ILE A 59 -16.152 14.758 -5.386 1.00 0.00 O ATOM 870 CB ILE A 59 -13.735 14.014 -3.385 1.00 0.00 C ATOM 871 CG1 ILE A 59 -13.083 12.989 -2.455 1.00 0.00 C ATOM 872 CG2 ILE A 59 -14.737 14.868 -2.621 1.00 0.00 C ATOM 873 CD1 ILE A 59 -11.852 13.511 -1.748 1.00 0.00 C ATOM 0 H ILE A 59 -12.538 12.476 -4.947 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.236 12.686 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.956 14.666 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -13.812 12.671 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -12.813 12.106 -3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.234 15.363 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.159 15.619 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -15.536 14.235 -2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -11.443 12.731 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -11.105 13.803 -2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -12.120 14.376 -1.142 1.00 0.00 H new ATOM 885 N SER A 60 -14.176 14.795 -6.462 1.00 0.00 N ATOM 886 CA SER A 60 -14.597 15.801 -7.430 1.00 0.00 C ATOM 887 C SER A 60 -15.904 15.392 -8.104 1.00 0.00 C ATOM 888 O SER A 60 -16.842 16.182 -8.195 1.00 0.00 O ATOM 889 CB SER A 60 -13.510 16.011 -8.485 1.00 0.00 C ATOM 890 OG SER A 60 -13.574 17.317 -9.032 1.00 0.00 O ATOM 0 H SER A 60 -13.217 14.470 -6.582 1.00 0.00 H new ATOM 0 HA SER A 60 -14.760 16.737 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.529 15.848 -8.038 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.624 15.274 -9.280 1.00 0.00 H new ATOM 0 HG SER A 60 -12.868 17.426 -9.702 1.00 0.00 H new ATOM 896 N ASN A 61 -15.955 14.150 -8.575 1.00 0.00 N ATOM 897 CA ASN A 61 -17.146 13.635 -9.242 1.00 0.00 C ATOM 898 C ASN A 61 -17.703 12.423 -8.501 1.00 0.00 C ATOM 899 O ASN A 61 -18.453 11.629 -9.067 1.00 0.00 O ATOM 900 CB ASN A 61 -16.822 13.257 -10.689 1.00 0.00 C ATOM 901 CG ASN A 61 -17.986 12.577 -11.383 1.00 0.00 C ATOM 902 OD1 ASN A 61 -17.762 11.356 -11.856 1.00 0.00 O flip ATOM 903 ND2 ASN A 61 -19.075 13.142 -11.492 1.00 0.00 N flip ATOM 0 H ASN A 61 -15.187 13.482 -8.507 1.00 0.00 H new ATOM 0 HA ASN A 61 -17.902 14.420 -9.239 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.546 14.154 -11.243 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.957 12.595 -10.704 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -19.203 14.081 -11.114 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -19.849 12.671 -11.961 1.00 0.00 H new ATOM 910 N GLN A 62 -17.331 12.291 -7.232 1.00 0.00 N ATOM 911 CA GLN A 62 -17.794 11.176 -6.413 1.00 0.00 C ATOM 912 C GLN A 62 -17.959 9.915 -7.255 1.00 0.00 C ATOM 913 O GLN A 62 -19.025 9.300 -7.265 1.00 0.00 O ATOM 914 CB GLN A 62 -19.120 11.529 -5.737 1.00 0.00 C ATOM 915 CG GLN A 62 -19.082 12.842 -4.971 1.00 0.00 C ATOM 916 CD GLN A 62 -20.348 13.090 -4.175 1.00 0.00 C ATOM 917 OE1 GLN A 62 -21.067 12.154 -3.823 1.00 0.00 O ATOM 918 NE2 GLN A 62 -20.628 14.356 -3.888 1.00 0.00 N ATOM 0 H GLN A 62 -16.711 12.941 -6.749 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.043 10.984 -5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -19.902 11.583 -6.495 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -19.394 10.726 -5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.227 12.839 -4.295 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -18.931 13.663 -5.672 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.004 15.100 -4.200 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.467 14.585 -3.356 1.00 0.00 H new ATOM 927 N GLN A 63 -16.896 9.535 -7.958 1.00 0.00 N ATOM 928 CA GLN A 63 -16.925 8.348 -8.803 1.00 0.00 C ATOM 929 C GLN A 63 -16.143 7.205 -8.162 1.00 0.00 C ATOM 930 O GLN A 63 -15.154 7.431 -7.465 1.00 0.00 O ATOM 931 CB GLN A 63 -16.348 8.664 -10.183 1.00 0.00 C ATOM 932 CG GLN A 63 -16.073 7.429 -11.026 1.00 0.00 C ATOM 933 CD GLN A 63 -14.678 6.875 -10.812 1.00 0.00 C ATOM 934 OE1 GLN A 63 -14.402 6.229 -9.800 1.00 0.00 O ATOM 935 NE2 GLN A 63 -13.789 7.126 -11.766 1.00 0.00 N ATOM 0 H GLN A 63 -16.005 10.032 -7.959 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.964 8.037 -8.914 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.043 9.311 -10.718 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.421 9.224 -10.060 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -16.806 6.659 -10.786 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.204 7.676 -12.079 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.061 7.666 -12.588 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.834 6.779 -11.677 1.00 0.00 H new ATOM 944 N ILE A 64 -16.595 5.979 -8.402 1.00 0.00 N ATOM 945 CA ILE A 64 -15.937 4.801 -7.849 1.00 0.00 C ATOM 946 C ILE A 64 -15.471 3.861 -8.955 1.00 0.00 C ATOM 947 O ILE A 64 -16.244 3.496 -9.842 1.00 0.00 O ATOM 948 CB ILE A 64 -16.870 4.032 -6.895 1.00 0.00 C ATOM 949 CG1 ILE A 64 -17.314 4.934 -5.743 1.00 0.00 C ATOM 950 CG2 ILE A 64 -16.174 2.788 -6.363 1.00 0.00 C ATOM 951 CD1 ILE A 64 -16.380 4.901 -4.553 1.00 0.00 C ATOM 0 H ILE A 64 -17.414 5.775 -8.975 1.00 0.00 H new ATOM 0 HA ILE A 64 -15.071 5.156 -7.290 1.00 0.00 H new ATOM 0 HB ILE A 64 -17.756 3.721 -7.449 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -17.392 5.959 -6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -18.311 4.633 -5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -16.846 2.255 -5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.903 2.138 -7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -15.274 3.078 -5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -16.758 5.564 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.320 3.884 -4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -15.388 5.231 -4.860 1.00 0.00 H new ATOM 963 N THR A 65 -14.202 3.470 -8.896 1.00 0.00 N ATOM 964 CA THR A 65 -13.632 2.571 -9.892 1.00 0.00 C ATOM 965 C THR A 65 -12.808 1.471 -9.233 1.00 0.00 C ATOM 966 O THR A 65 -11.662 1.675 -8.835 1.00 0.00 O ATOM 967 CB THR A 65 -12.743 3.333 -10.893 1.00 0.00 C ATOM 968 OG1 THR A 65 -13.423 4.504 -11.360 1.00 0.00 O ATOM 969 CG2 THR A 65 -12.378 2.447 -12.075 1.00 0.00 C ATOM 0 H THR A 65 -13.549 3.762 -8.169 1.00 0.00 H new ATOM 0 HA THR A 65 -14.468 2.123 -10.428 1.00 0.00 H new ATOM 0 HB THR A 65 -11.826 3.626 -10.381 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.497 5.152 -10.629 1.00 0.00 H new ATOM 0 HG21 THR A 65 -11.750 3.006 -12.769 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.835 1.571 -11.719 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.287 2.128 -12.585 1.00 0.00 H new ATOM 977 N PRO A 66 -13.404 0.275 -9.114 1.00 0.00 N ATOM 978 CA PRO A 66 -12.742 -0.882 -8.505 1.00 0.00 C ATOM 979 C PRO A 66 -11.608 -1.423 -9.369 1.00 0.00 C ATOM 980 O PRO A 66 -11.823 -1.831 -10.509 1.00 0.00 O ATOM 981 CB PRO A 66 -13.866 -1.915 -8.390 1.00 0.00 C ATOM 982 CG PRO A 66 -14.836 -1.539 -9.457 1.00 0.00 C ATOM 983 CD PRO A 66 -14.769 -0.040 -9.567 1.00 0.00 C ATOM 0 HA PRO A 66 -12.277 -0.630 -7.552 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.490 -2.928 -8.536 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -14.331 -1.887 -7.404 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.577 -2.012 -10.404 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.844 -1.867 -9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.940 0.296 -10.590 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.521 0.443 -8.943 1.00 0.00 H new ATOM 991 N GLY A 67 -10.398 -1.423 -8.817 1.00 0.00 N ATOM 992 CA GLY A 67 -9.248 -1.917 -9.552 1.00 0.00 C ATOM 993 C GLY A 67 -9.175 -3.431 -9.566 1.00 0.00 C ATOM 994 O GLY A 67 -10.103 -4.122 -9.147 1.00 0.00 O ATOM 0 H GLY A 67 -10.194 -1.090 -7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.291 -1.549 -10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.337 -1.517 -9.107 1.00 0.00 H new ATOM 998 N PRO A 68 -8.049 -3.968 -10.059 1.00 0.00 N ATOM 999 CA PRO A 68 -7.833 -5.416 -10.139 1.00 0.00 C ATOM 1000 C PRO A 68 -7.651 -6.052 -8.765 1.00 0.00 C ATOM 1001 O PRO A 68 -7.909 -7.241 -8.582 1.00 0.00 O ATOM 1002 CB PRO A 68 -6.546 -5.537 -10.959 1.00 0.00 C ATOM 1003 CG PRO A 68 -5.831 -4.249 -10.736 1.00 0.00 C ATOM 1004 CD PRO A 68 -6.901 -3.204 -10.576 1.00 0.00 C ATOM 0 HA PRO A 68 -8.686 -5.932 -10.580 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.945 -6.385 -10.630 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.763 -5.691 -12.016 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.201 -4.301 -9.848 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.179 -4.014 -11.577 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.596 -2.419 -9.884 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.135 -2.720 -11.524 1.00 0.00 H new ATOM 1012 N ALA A 69 -7.204 -5.252 -7.803 1.00 0.00 N ATOM 1013 CA ALA A 69 -6.990 -5.737 -6.445 1.00 0.00 C ATOM 1014 C ALA A 69 -8.249 -5.576 -5.600 1.00 0.00 C ATOM 1015 O ALA A 69 -8.175 -5.279 -4.407 1.00 0.00 O ATOM 1016 CB ALA A 69 -5.823 -5.004 -5.800 1.00 0.00 C ATOM 0 H ALA A 69 -6.983 -4.265 -7.939 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.753 -6.799 -6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.675 -5.376 -4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.919 -5.174 -6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.038 -3.936 -5.766 1.00 0.00 H new ATOM 1022 N TYR A 70 -9.405 -5.774 -6.225 1.00 0.00 N ATOM 1023 CA TYR A 70 -10.681 -5.648 -5.531 1.00 0.00 C ATOM 1024 C TYR A 70 -11.421 -6.981 -5.505 1.00 0.00 C ATOM 1025 O TYR A 70 -11.402 -7.734 -6.479 1.00 0.00 O ATOM 1026 CB TYR A 70 -11.548 -4.583 -6.203 1.00 0.00 C ATOM 1027 CG TYR A 70 -12.710 -4.122 -5.353 1.00 0.00 C ATOM 1028 CD1 TYR A 70 -12.499 -3.552 -4.103 1.00 0.00 C ATOM 1029 CD2 TYR A 70 -14.019 -4.255 -5.799 1.00 0.00 C ATOM 1030 CE1 TYR A 70 -13.558 -3.131 -3.322 1.00 0.00 C ATOM 1031 CE2 TYR A 70 -15.084 -3.835 -5.026 1.00 0.00 C ATOM 1032 CZ TYR A 70 -14.848 -3.274 -3.788 1.00 0.00 C ATOM 1033 OH TYR A 70 -15.905 -2.854 -3.014 1.00 0.00 O ATOM 0 H TYR A 70 -9.484 -6.022 -7.211 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.478 -5.346 -4.503 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.926 -3.723 -6.450 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.931 -4.979 -7.143 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.490 -3.436 -3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -14.207 -4.695 -6.767 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.377 -2.692 -2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.095 -3.945 -5.389 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.579 -2.596 -2.127 1.00 0.00 H new ATOM 1043 N SER A 71 -12.074 -7.267 -4.383 1.00 0.00 N ATOM 1044 CA SER A 71 -12.819 -8.511 -4.228 1.00 0.00 C ATOM 1045 C SER A 71 -14.213 -8.243 -3.668 1.00 0.00 C ATOM 1046 O SER A 71 -14.880 -9.150 -3.174 1.00 0.00 O ATOM 1047 CB SER A 71 -12.064 -9.471 -3.306 1.00 0.00 C ATOM 1048 OG SER A 71 -11.857 -8.895 -2.028 1.00 0.00 O ATOM 0 H SER A 71 -12.102 -6.654 -3.568 1.00 0.00 H new ATOM 0 HA SER A 71 -12.922 -8.968 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.627 -10.399 -3.203 1.00 0.00 H new ATOM 0 HB3 SER A 71 -11.103 -9.728 -3.752 1.00 0.00 H new ATOM 0 HG SER A 71 -11.031 -9.250 -1.639 1.00 0.00 H new ATOM 1054 N ASN A 72 -14.646 -6.989 -3.750 1.00 0.00 N ATOM 1055 CA ASN A 72 -15.960 -6.599 -3.252 1.00 0.00 C ATOM 1056 C ASN A 72 -16.050 -6.799 -1.742 1.00 0.00 C ATOM 1057 O ASN A 72 -17.060 -7.281 -1.229 1.00 0.00 O ATOM 1058 CB ASN A 72 -17.054 -7.409 -3.952 1.00 0.00 C ATOM 1059 CG ASN A 72 -17.009 -7.259 -5.460 1.00 0.00 C ATOM 1060 OD1 ASN A 72 -17.758 -8.103 -6.161 1.00 0.00 O flip ATOM 1061 ND2 ASN A 72 -16.309 -6.394 -5.989 1.00 0.00 N flip ATOM 0 H ASN A 72 -14.106 -6.225 -4.157 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.105 -5.541 -3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.946 -8.462 -3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -18.030 -7.088 -3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.749 -5.767 -5.411 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -16.289 -6.305 -7.005 1.00 0.00 H new ATOM 1068 N ARG A 73 -14.988 -6.425 -1.037 1.00 0.00 N ATOM 1069 CA ARG A 73 -14.947 -6.564 0.414 1.00 0.00 C ATOM 1070 C ARG A 73 -14.499 -5.262 1.072 1.00 0.00 C ATOM 1071 O ARG A 73 -14.922 -4.939 2.181 1.00 0.00 O ATOM 1072 CB ARG A 73 -14.004 -7.700 0.813 1.00 0.00 C ATOM 1073 CG ARG A 73 -14.301 -9.013 0.108 1.00 0.00 C ATOM 1074 CD ARG A 73 -13.632 -10.186 0.808 1.00 0.00 C ATOM 1075 NE ARG A 73 -12.193 -10.223 0.559 1.00 0.00 N ATOM 1076 CZ ARG A 73 -11.298 -9.613 1.328 1.00 0.00 C ATOM 1077 NH1 ARG A 73 -11.692 -8.922 2.389 1.00 0.00 N ATOM 1078 NH2 ARG A 73 -10.006 -9.693 1.036 1.00 0.00 N ATOM 0 H ARG A 73 -14.144 -6.023 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.954 -6.799 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.978 -7.403 0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.068 -7.853 1.890 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.379 -9.174 0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.955 -8.959 -0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.813 -10.119 1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.083 -11.118 0.466 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.857 -10.746 -0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.684 -8.858 2.616 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.003 -8.455 2.978 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.699 -10.223 0.220 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.320 -9.224 1.627 1.00 0.00 H new ATOM 1092 N GLU A 74 -13.640 -4.520 0.380 1.00 0.00 N ATOM 1093 CA GLU A 74 -13.134 -3.255 0.899 1.00 0.00 C ATOM 1094 C GLU A 74 -14.032 -2.095 0.476 1.00 0.00 C ATOM 1095 O GLU A 74 -14.727 -2.170 -0.538 1.00 0.00 O ATOM 1096 CB GLU A 74 -11.705 -3.012 0.408 1.00 0.00 C ATOM 1097 CG GLU A 74 -10.693 -3.997 0.970 1.00 0.00 C ATOM 1098 CD GLU A 74 -10.789 -5.364 0.321 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -10.795 -5.430 -0.926 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -10.857 -6.369 1.060 1.00 0.00 O ATOM 0 H GLU A 74 -13.280 -4.773 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.132 -3.313 1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.689 -3.069 -0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.404 -2.000 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.688 -3.601 0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.847 -4.097 2.044 1.00 0.00 H new ATOM 1107 N THR A 75 -14.013 -1.023 1.262 1.00 0.00 N ATOM 1108 CA THR A 75 -14.826 0.151 0.972 1.00 0.00 C ATOM 1109 C THR A 75 -14.104 1.432 1.374 1.00 0.00 C ATOM 1110 O THR A 75 -13.552 1.526 2.471 1.00 0.00 O ATOM 1111 CB THR A 75 -16.182 0.089 1.699 1.00 0.00 C ATOM 1112 OG1 THR A 75 -16.923 -1.053 1.257 1.00 0.00 O ATOM 1113 CG2 THR A 75 -16.990 1.353 1.446 1.00 0.00 C ATOM 0 H THR A 75 -13.443 -0.944 2.104 1.00 0.00 H new ATOM 0 HA THR A 75 -15.000 0.157 -0.104 1.00 0.00 H new ATOM 0 HB THR A 75 -15.992 0.006 2.769 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.783 -1.086 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.944 1.286 1.970 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.436 2.218 1.810 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.170 1.462 0.376 1.00 0.00 H new ATOM 1121 N ILE A 76 -14.114 2.417 0.482 1.00 0.00 N ATOM 1122 CA ILE A 76 -13.461 3.693 0.746 1.00 0.00 C ATOM 1123 C ILE A 76 -14.332 4.584 1.625 1.00 0.00 C ATOM 1124 O ILE A 76 -15.499 4.278 1.874 1.00 0.00 O ATOM 1125 CB ILE A 76 -13.135 4.440 -0.561 1.00 0.00 C ATOM 1126 CG1 ILE A 76 -12.900 3.444 -1.698 1.00 0.00 C ATOM 1127 CG2 ILE A 76 -11.918 5.333 -0.371 1.00 0.00 C ATOM 1128 CD1 ILE A 76 -14.129 3.189 -2.542 1.00 0.00 C ATOM 0 H ILE A 76 -14.567 2.356 -0.430 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.531 3.470 1.268 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.985 5.069 -0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.101 3.818 -2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.556 2.499 -1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.700 5.854 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.121 6.062 0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.060 4.723 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.888 2.473 -3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -14.924 2.785 -1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.462 4.124 -2.992 1.00 0.00 H new ATOM 1140 N TYR A 77 -13.760 5.689 2.089 1.00 0.00 N ATOM 1141 CA TYR A 77 -14.484 6.626 2.940 1.00 0.00 C ATOM 1142 C TYR A 77 -14.201 8.067 2.528 1.00 0.00 C ATOM 1143 O TYR A 77 -13.220 8.364 1.846 1.00 0.00 O ATOM 1144 CB TYR A 77 -14.099 6.418 4.406 1.00 0.00 C ATOM 1145 CG TYR A 77 -14.941 5.381 5.112 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -14.904 4.046 4.727 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -15.775 5.735 6.166 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -15.673 3.095 5.369 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -16.547 4.791 6.815 1.00 0.00 C ATOM 1150 CZ TYR A 77 -16.492 3.472 6.413 1.00 0.00 C ATOM 1151 OH TYR A 77 -17.259 2.528 7.056 1.00 0.00 O ATOM 0 H TYR A 77 -12.796 5.958 1.890 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.551 6.436 2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -13.052 6.121 4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -14.188 7.367 4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -14.263 3.747 3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.820 6.766 6.483 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.633 2.062 5.055 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.190 5.083 7.632 1.00 0.00 H new ATOM 0 HH TYR A 77 -17.778 2.958 7.768 1.00 0.00 H new ATOM 1161 N PRO A 78 -15.082 8.986 2.951 1.00 0.00 N ATOM 1162 CA PRO A 78 -14.949 10.412 2.640 1.00 0.00 C ATOM 1163 C PRO A 78 -13.776 11.058 3.368 1.00 0.00 C ATOM 1164 O PRO A 78 -13.552 12.263 3.259 1.00 0.00 O ATOM 1165 CB PRO A 78 -16.273 11.006 3.126 1.00 0.00 C ATOM 1166 CG PRO A 78 -16.742 10.070 4.186 1.00 0.00 C ATOM 1167 CD PRO A 78 -16.274 8.704 3.767 1.00 0.00 C ATOM 0 HA PRO A 78 -14.753 10.581 1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.134 12.013 3.520 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -16.996 11.079 2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.330 10.343 5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.828 10.099 4.280 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.033 8.080 4.628 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -17.037 8.176 3.195 1.00 0.00 H new ATOM 1175 N ASN A 79 -13.029 10.248 4.112 1.00 0.00 N ATOM 1176 CA ASN A 79 -11.877 10.742 4.859 1.00 0.00 C ATOM 1177 C ASN A 79 -10.604 10.014 4.440 1.00 0.00 C ATOM 1178 O ASN A 79 -9.601 10.036 5.152 1.00 0.00 O ATOM 1179 CB ASN A 79 -12.106 10.568 6.362 1.00 0.00 C ATOM 1180 CG ASN A 79 -12.750 9.237 6.699 1.00 0.00 C ATOM 1181 OD1 ASN A 79 -12.502 8.230 6.036 1.00 0.00 O ATOM 1182 ND2 ASN A 79 -13.581 9.227 7.734 1.00 0.00 N ATOM 0 H ASN A 79 -13.200 9.248 4.214 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.758 11.802 4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.152 10.649 6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.739 11.377 6.726 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.044 8.360 8.008 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -13.757 10.086 8.255 1.00 0.00 H new ATOM 1189 N ALA A 80 -10.652 9.370 3.278 1.00 0.00 N ATOM 1190 CA ALA A 80 -9.502 8.638 2.762 1.00 0.00 C ATOM 1191 C ALA A 80 -9.254 7.367 3.568 1.00 0.00 C ATOM 1192 O ALA A 80 -8.122 6.894 3.665 1.00 0.00 O ATOM 1193 CB ALA A 80 -8.265 9.523 2.773 1.00 0.00 C ATOM 0 H ALA A 80 -11.475 9.341 2.676 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.718 8.348 1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.414 8.963 2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.439 10.399 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.055 9.842 3.794 1.00 0.00 H new ATOM 1199 N SER A 81 -10.319 6.820 4.145 1.00 0.00 N ATOM 1200 CA SER A 81 -10.216 5.606 4.946 1.00 0.00 C ATOM 1201 C SER A 81 -10.807 4.412 4.203 1.00 0.00 C ATOM 1202 O SER A 81 -11.834 4.530 3.532 1.00 0.00 O ATOM 1203 CB SER A 81 -10.930 5.792 6.286 1.00 0.00 C ATOM 1204 OG SER A 81 -10.527 6.996 6.916 1.00 0.00 O ATOM 0 H SER A 81 -11.263 7.198 4.073 1.00 0.00 H new ATOM 0 HA SER A 81 -9.160 5.410 5.129 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.008 5.804 6.128 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.712 4.946 6.938 1.00 0.00 H new ATOM 0 HG SER A 81 -10.877 7.761 6.413 1.00 0.00 H new ATOM 1210 N LEU A 82 -10.153 3.263 4.328 1.00 0.00 N ATOM 1211 CA LEU A 82 -10.613 2.045 3.668 1.00 0.00 C ATOM 1212 C LEU A 82 -10.982 0.978 4.693 1.00 0.00 C ATOM 1213 O LEU A 82 -10.139 0.531 5.472 1.00 0.00 O ATOM 1214 CB LEU A 82 -9.531 1.512 2.727 1.00 0.00 C ATOM 1215 CG LEU A 82 -9.950 0.366 1.805 1.00 0.00 C ATOM 1216 CD1 LEU A 82 -10.490 0.909 0.491 1.00 0.00 C ATOM 1217 CD2 LEU A 82 -8.778 -0.572 1.556 1.00 0.00 C ATOM 0 H LEU A 82 -9.303 3.148 4.880 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.503 2.289 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.175 2.337 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.686 1.177 3.329 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.744 -0.198 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.783 0.079 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.357 1.540 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.718 1.497 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.093 -1.382 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.963 -0.020 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.436 -0.987 2.504 1.00 0.00 H new ATOM 1229 N LEU A 83 -12.247 0.571 4.686 1.00 0.00 N ATOM 1230 CA LEU A 83 -12.729 -0.447 5.613 1.00 0.00 C ATOM 1231 C LEU A 83 -12.526 -1.845 5.040 1.00 0.00 C ATOM 1232 O LEU A 83 -13.094 -2.191 4.004 1.00 0.00 O ATOM 1233 CB LEU A 83 -14.209 -0.221 5.925 1.00 0.00 C ATOM 1234 CG LEU A 83 -14.935 -1.379 6.610 1.00 0.00 C ATOM 1235 CD1 LEU A 83 -14.719 -1.331 8.114 1.00 0.00 C ATOM 1236 CD2 LEU A 83 -16.421 -1.346 6.281 1.00 0.00 C ATOM 0 H LEU A 83 -12.957 0.931 4.048 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.153 -0.365 6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.295 0.661 6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.726 0.005 4.992 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.520 -2.315 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.243 -2.163 8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.653 -1.405 8.331 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -15.105 -0.391 8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.922 -2.177 6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.850 -0.405 6.627 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.557 -1.432 5.203 1.00 0.00 H new ATOM 1248 N MET A 84 -11.714 -2.647 5.722 1.00 0.00 N ATOM 1249 CA MET A 84 -11.440 -4.010 5.282 1.00 0.00 C ATOM 1250 C MET A 84 -12.274 -5.014 6.070 1.00 0.00 C ATOM 1251 O MET A 84 -11.960 -5.331 7.218 1.00 0.00 O ATOM 1252 CB MET A 84 -9.952 -4.330 5.440 1.00 0.00 C ATOM 1253 CG MET A 84 -9.432 -5.326 4.416 1.00 0.00 C ATOM 1254 SD MET A 84 -7.660 -5.164 4.127 1.00 0.00 S ATOM 1255 CE MET A 84 -7.598 -3.589 3.276 1.00 0.00 C ATOM 0 H MET A 84 -11.235 -2.376 6.581 1.00 0.00 H new ATOM 0 HA MET A 84 -11.711 -4.087 4.229 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.380 -3.406 5.359 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.778 -4.726 6.441 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.650 -6.338 4.757 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.964 -5.185 3.475 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.264 -3.743 2.250 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.591 -3.139 3.271 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.902 -2.926 3.789 1.00 0.00 H new ATOM 1265 N ARG A 85 -13.338 -5.511 5.448 1.00 0.00 N ATOM 1266 CA ARG A 85 -14.218 -6.478 6.093 1.00 0.00 C ATOM 1267 C ARG A 85 -13.790 -7.906 5.765 1.00 0.00 C ATOM 1268 O ARG A 85 -13.318 -8.185 4.664 1.00 0.00 O ATOM 1269 CB ARG A 85 -15.666 -6.255 5.653 1.00 0.00 C ATOM 1270 CG ARG A 85 -16.264 -4.953 6.163 1.00 0.00 C ATOM 1271 CD ARG A 85 -17.711 -4.796 5.724 1.00 0.00 C ATOM 1272 NE ARG A 85 -18.485 -3.995 6.669 1.00 0.00 N ATOM 1273 CZ ARG A 85 -19.588 -3.332 6.340 1.00 0.00 C ATOM 1274 NH1 ARG A 85 -20.044 -3.374 5.096 1.00 0.00 N ATOM 1275 NH2 ARG A 85 -20.237 -2.625 7.256 1.00 0.00 N ATOM 0 H ARG A 85 -13.612 -5.260 4.498 1.00 0.00 H new ATOM 0 HA ARG A 85 -14.147 -6.334 7.171 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.711 -6.264 4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.276 -7.087 6.004 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.208 -4.927 7.251 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -15.677 -4.112 5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -17.743 -4.328 4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -18.168 -5.780 5.623 1.00 0.00 H new ATOM 0 HE ARG A 85 -18.161 -3.942 7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -19.548 -3.916 4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -20.891 -2.864 4.846 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -19.889 -2.590 8.214 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -21.084 -2.116 7.002 1.00 0.00 H new ATOM 1289 N ASN A 86 -13.958 -8.804 6.730 1.00 0.00 N ATOM 1290 CA ASN A 86 -13.588 -10.203 6.544 1.00 0.00 C ATOM 1291 C ASN A 86 -12.113 -10.331 6.174 1.00 0.00 C ATOM 1292 O ASN A 86 -11.766 -10.950 5.168 1.00 0.00 O ATOM 1293 CB ASN A 86 -14.456 -10.842 5.457 1.00 0.00 C ATOM 1294 CG ASN A 86 -15.885 -11.060 5.913 1.00 0.00 C ATOM 1295 OD1 ASN A 86 -16.131 -11.464 7.050 1.00 0.00 O ATOM 1296 ND2 ASN A 86 -16.836 -10.793 5.026 1.00 0.00 N ATOM 0 H ASN A 86 -14.347 -8.589 7.648 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.755 -10.725 7.486 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.453 -10.205 4.572 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.021 -11.798 5.164 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.817 -10.921 5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.586 -10.460 4.095 1.00 0.00 H new ATOM 1303 N VAL A 87 -11.249 -9.741 6.994 1.00 0.00 N ATOM 1304 CA VAL A 87 -9.812 -9.790 6.754 1.00 0.00 C ATOM 1305 C VAL A 87 -9.280 -11.212 6.893 1.00 0.00 C ATOM 1306 O VAL A 87 -10.027 -12.139 7.210 1.00 0.00 O ATOM 1307 CB VAL A 87 -9.049 -8.871 7.727 1.00 0.00 C ATOM 1308 CG1 VAL A 87 -9.507 -7.429 7.569 1.00 0.00 C ATOM 1309 CG2 VAL A 87 -9.233 -9.344 9.161 1.00 0.00 C ATOM 0 H VAL A 87 -11.519 -9.224 7.830 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.649 -9.442 5.734 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.987 -8.918 7.487 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.957 -6.794 8.264 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.318 -7.097 6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.574 -7.361 7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.687 -8.683 9.835 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.293 -9.328 9.416 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.851 -10.360 9.261 1.00 0.00 H new ATOM 1319 N THR A 88 -7.983 -11.379 6.653 1.00 0.00 N ATOM 1320 CA THR A 88 -7.350 -12.688 6.751 1.00 0.00 C ATOM 1321 C THR A 88 -5.841 -12.558 6.925 1.00 0.00 C ATOM 1322 O THR A 88 -5.251 -11.540 6.563 1.00 0.00 O ATOM 1323 CB THR A 88 -7.639 -13.546 5.504 1.00 0.00 C ATOM 1324 OG1 THR A 88 -7.311 -12.814 4.319 1.00 0.00 O ATOM 1325 CG2 THR A 88 -9.102 -13.962 5.461 1.00 0.00 C ATOM 0 H THR A 88 -7.351 -10.623 6.389 1.00 0.00 H new ATOM 0 HA THR A 88 -7.773 -13.179 7.628 1.00 0.00 H new ATOM 0 HB THR A 88 -7.024 -14.444 5.557 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.496 -13.367 3.531 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.282 -14.567 4.572 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.341 -14.544 6.351 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.732 -13.073 5.429 1.00 0.00 H new ATOM 1333 N ARG A 89 -5.223 -13.595 7.481 1.00 0.00 N ATOM 1334 CA ARG A 89 -3.782 -13.595 7.704 1.00 0.00 C ATOM 1335 C ARG A 89 -3.043 -13.063 6.480 1.00 0.00 C ATOM 1336 O ARG A 89 -2.340 -12.056 6.556 1.00 0.00 O ATOM 1337 CB ARG A 89 -3.296 -15.008 8.032 1.00 0.00 C ATOM 1338 CG ARG A 89 -3.950 -15.605 9.268 1.00 0.00 C ATOM 1339 CD ARG A 89 -3.626 -17.084 9.410 1.00 0.00 C ATOM 1340 NE ARG A 89 -4.297 -17.891 8.395 1.00 0.00 N ATOM 1341 CZ ARG A 89 -4.099 -19.196 8.244 1.00 0.00 C ATOM 1342 NH1 ARG A 89 -3.253 -19.838 9.039 1.00 0.00 N ATOM 1343 NH2 ARG A 89 -4.747 -19.862 7.297 1.00 0.00 N ATOM 0 H ARG A 89 -5.697 -14.445 7.785 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.570 -12.940 8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -3.491 -15.657 7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.216 -14.987 8.177 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.610 -15.070 10.155 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.030 -15.472 9.210 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.548 -17.228 9.333 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.924 -17.427 10.401 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.954 -17.427 7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.753 -19.330 9.768 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.103 -20.840 8.921 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.398 -19.372 6.684 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.594 -20.864 7.182 1.00 0.00 H new ATOM 1357 N ASN A 90 -3.206 -13.748 5.352 1.00 0.00 N ATOM 1358 CA ASN A 90 -2.553 -13.345 4.112 1.00 0.00 C ATOM 1359 C ASN A 90 -2.674 -11.839 3.898 1.00 0.00 C ATOM 1360 O ASN A 90 -1.759 -11.200 3.378 1.00 0.00 O ATOM 1361 CB ASN A 90 -3.164 -14.091 2.924 1.00 0.00 C ATOM 1362 CG ASN A 90 -2.819 -15.568 2.929 1.00 0.00 C ATOM 1363 OD1 ASN A 90 -3.600 -16.397 3.395 1.00 0.00 O ATOM 1364 ND2 ASN A 90 -1.643 -15.902 2.411 1.00 0.00 N ATOM 0 H ASN A 90 -3.784 -14.584 5.272 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.496 -13.599 4.188 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.248 -13.974 2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.811 -13.641 1.996 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.355 -16.880 2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.028 -15.180 2.036 1.00 0.00 H new ATOM 1371 N ASP A 91 -3.809 -11.279 4.301 1.00 0.00 N ATOM 1372 CA ASP A 91 -4.050 -9.848 4.156 1.00 0.00 C ATOM 1373 C ASP A 91 -2.890 -9.041 4.728 1.00 0.00 C ATOM 1374 O ASP A 91 -2.445 -8.061 4.129 1.00 0.00 O ATOM 1375 CB ASP A 91 -5.354 -9.456 4.853 1.00 0.00 C ATOM 1376 CG ASP A 91 -6.035 -8.277 4.185 1.00 0.00 C ATOM 1377 OD1 ASP A 91 -5.695 -7.125 4.526 1.00 0.00 O ATOM 1378 OD2 ASP A 91 -6.908 -8.507 3.322 1.00 0.00 O ATOM 0 H ASP A 91 -4.577 -11.794 4.731 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.134 -9.624 3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.032 -10.310 4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.146 -9.210 5.894 1.00 0.00 H new ATOM 1383 N THR A 92 -2.403 -9.458 5.893 1.00 0.00 N ATOM 1384 CA THR A 92 -1.296 -8.772 6.547 1.00 0.00 C ATOM 1385 C THR A 92 -0.209 -8.401 5.545 1.00 0.00 C ATOM 1386 O THR A 92 0.419 -9.273 4.945 1.00 0.00 O ATOM 1387 CB THR A 92 -0.677 -9.639 7.660 1.00 0.00 C ATOM 1388 OG1 THR A 92 -1.712 -10.196 8.479 1.00 0.00 O ATOM 1389 CG2 THR A 92 0.271 -8.819 8.522 1.00 0.00 C ATOM 0 H THR A 92 -2.758 -10.267 6.402 1.00 0.00 H new ATOM 0 HA THR A 92 -1.705 -7.863 6.988 1.00 0.00 H new ATOM 0 HB THR A 92 -0.111 -10.444 7.190 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.066 -11.005 8.054 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.695 -9.453 9.301 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.073 -8.420 7.902 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.276 -7.996 8.982 1.00 0.00 H new ATOM 1397 N GLY A 93 0.009 -7.102 5.369 1.00 0.00 N ATOM 1398 CA GLY A 93 1.022 -6.639 4.438 1.00 0.00 C ATOM 1399 C GLY A 93 1.173 -5.130 4.449 1.00 0.00 C ATOM 1400 O GLY A 93 1.250 -4.515 5.512 1.00 0.00 O ATOM 0 H GLY A 93 -0.498 -6.361 5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.978 -7.099 4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.764 -6.968 3.431 1.00 0.00 H new ATOM 1404 N SER A 94 1.217 -4.533 3.262 1.00 0.00 N ATOM 1405 CA SER A 94 1.366 -3.088 3.139 1.00 0.00 C ATOM 1406 C SER A 94 0.255 -2.499 2.275 1.00 0.00 C ATOM 1407 O SER A 94 -0.227 -3.141 1.341 1.00 0.00 O ATOM 1408 CB SER A 94 2.731 -2.744 2.538 1.00 0.00 C ATOM 1409 OG SER A 94 2.851 -3.252 1.221 1.00 0.00 O ATOM 0 H SER A 94 1.152 -5.028 2.372 1.00 0.00 H new ATOM 0 HA SER A 94 1.296 -2.654 4.136 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.865 -1.662 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.522 -3.157 3.164 1.00 0.00 H new ATOM 0 HG SER A 94 3.798 -3.308 0.977 1.00 0.00 H new ATOM 1415 N TYR A 95 -0.147 -1.274 2.594 1.00 0.00 N ATOM 1416 CA TYR A 95 -1.204 -0.598 1.850 1.00 0.00 C ATOM 1417 C TYR A 95 -0.899 0.889 1.701 1.00 0.00 C ATOM 1418 O TYR A 95 -0.996 1.655 2.661 1.00 0.00 O ATOM 1419 CB TYR A 95 -2.551 -0.787 2.550 1.00 0.00 C ATOM 1420 CG TYR A 95 -3.072 -2.205 2.487 1.00 0.00 C ATOM 1421 CD1 TYR A 95 -2.599 -3.180 3.356 1.00 0.00 C ATOM 1422 CD2 TYR A 95 -4.039 -2.570 1.558 1.00 0.00 C ATOM 1423 CE1 TYR A 95 -3.072 -4.476 3.302 1.00 0.00 C ATOM 1424 CE2 TYR A 95 -4.519 -3.864 1.497 1.00 0.00 C ATOM 1425 CZ TYR A 95 -4.032 -4.814 2.371 1.00 0.00 C ATOM 1426 OH TYR A 95 -4.507 -6.104 2.314 1.00 0.00 O ATOM 0 H TYR A 95 0.243 -0.728 3.363 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.254 -1.041 0.856 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.453 -0.491 3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.284 -0.119 2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.848 -2.920 4.087 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.422 -1.829 0.872 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.692 -5.221 3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.271 -4.130 0.769 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.776 -6.393 3.211 1.00 0.00 H new ATOM 1436 N THR A 96 -0.531 1.293 0.489 1.00 0.00 N ATOM 1437 CA THR A 96 -0.212 2.688 0.213 1.00 0.00 C ATOM 1438 C THR A 96 -1.464 3.477 -0.150 1.00 0.00 C ATOM 1439 O THR A 96 -2.337 2.983 -0.865 1.00 0.00 O ATOM 1440 CB THR A 96 0.810 2.814 -0.933 1.00 0.00 C ATOM 1441 OG1 THR A 96 2.042 2.185 -0.563 1.00 0.00 O ATOM 1442 CG2 THR A 96 1.063 4.274 -1.275 1.00 0.00 C ATOM 0 H THR A 96 -0.447 0.674 -0.317 1.00 0.00 H new ATOM 0 HA THR A 96 0.222 3.099 1.125 1.00 0.00 H new ATOM 0 HB THR A 96 0.399 2.318 -1.812 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.895 1.224 -0.440 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.788 4.337 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.129 4.742 -1.585 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.454 4.791 -0.398 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.548 4.706 0.348 1.00 0.00 N ATOM 1451 CA LEU A 97 -2.695 5.566 0.075 1.00 0.00 C ATOM 1452 C LEU A 97 -2.262 6.839 -0.644 1.00 0.00 C ATOM 1453 O LEU A 97 -1.417 7.585 -0.150 1.00 0.00 O ATOM 1454 CB LEU A 97 -3.411 5.921 1.379 1.00 0.00 C ATOM 1455 CG LEU A 97 -4.920 6.147 1.276 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -5.426 6.934 2.475 1.00 0.00 C ATOM 1457 CD2 LEU A 97 -5.264 6.866 -0.020 1.00 0.00 C ATOM 0 H LEU A 97 -0.836 5.129 0.943 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.381 5.021 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.232 5.121 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.956 6.824 1.786 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.414 5.175 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.502 7.085 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.214 6.380 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.926 7.902 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.342 7.018 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.759 7.832 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.938 6.264 -0.868 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.849 7.082 -1.811 1.00 0.00 N ATOM 1470 CA GLN A 98 -2.525 8.267 -2.597 1.00 0.00 C ATOM 1471 C GLN A 98 -3.694 9.246 -2.612 1.00 0.00 C ATOM 1472 O GLN A 98 -4.771 8.936 -3.121 1.00 0.00 O ATOM 1473 CB GLN A 98 -2.157 7.870 -4.028 1.00 0.00 C ATOM 1474 CG GLN A 98 -1.889 9.058 -4.938 1.00 0.00 C ATOM 1475 CD GLN A 98 -1.502 8.641 -6.343 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -1.974 7.625 -6.854 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -0.637 9.425 -6.977 1.00 0.00 N ATOM 0 H GLN A 98 -3.551 6.475 -2.233 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.670 8.758 -2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.272 7.234 -4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.966 7.274 -4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.779 9.686 -4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.091 9.666 -4.511 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.271 10.258 -6.516 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.339 9.194 -7.925 1.00 0.00 H new ATOM 1486 N VAL A 99 -3.474 10.431 -2.051 1.00 0.00 N ATOM 1487 CA VAL A 99 -4.509 11.457 -2.000 1.00 0.00 C ATOM 1488 C VAL A 99 -4.181 12.615 -2.936 1.00 0.00 C ATOM 1489 O VAL A 99 -3.211 13.342 -2.723 1.00 0.00 O ATOM 1490 CB VAL A 99 -4.690 12.002 -0.571 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -5.845 12.989 -0.518 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -4.908 10.860 0.410 1.00 0.00 C ATOM 0 H VAL A 99 -2.588 10.704 -1.625 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.438 10.986 -2.321 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.780 12.529 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.957 13.363 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.643 13.822 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.764 12.490 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.034 11.263 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.801 10.303 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.045 10.195 0.391 1.00 0.00 H new ATOM 1502 N ILE A 100 -4.996 12.780 -3.972 1.00 0.00 N ATOM 1503 CA ILE A 100 -4.793 13.851 -4.940 1.00 0.00 C ATOM 1504 C ILE A 100 -5.360 15.170 -4.427 1.00 0.00 C ATOM 1505 O ILE A 100 -6.409 15.200 -3.783 1.00 0.00 O ATOM 1506 CB ILE A 100 -5.446 13.517 -6.294 1.00 0.00 C ATOM 1507 CG1 ILE A 100 -4.813 12.259 -6.894 1.00 0.00 C ATOM 1508 CG2 ILE A 100 -5.312 14.692 -7.251 1.00 0.00 C ATOM 1509 CD1 ILE A 100 -5.296 10.976 -6.256 1.00 0.00 C ATOM 0 H ILE A 100 -5.803 12.186 -4.163 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.717 13.950 -5.080 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.507 13.325 -6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.029 12.228 -7.962 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.730 12.322 -6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.778 14.440 -8.204 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.805 15.566 -6.825 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.257 14.913 -7.411 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.806 10.126 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.056 10.986 -5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.375 10.890 -6.384 1.00 0.00 H new ATOM 1521 N LYS A 101 -4.659 16.261 -4.717 1.00 0.00 N ATOM 1522 CA LYS A 101 -5.093 17.586 -4.289 1.00 0.00 C ATOM 1523 C LYS A 101 -5.716 18.356 -5.448 1.00 0.00 C ATOM 1524 O LYS A 101 -5.429 18.082 -6.614 1.00 0.00 O ATOM 1525 CB LYS A 101 -3.910 18.372 -3.718 1.00 0.00 C ATOM 1526 CG LYS A 101 -3.421 17.847 -2.379 1.00 0.00 C ATOM 1527 CD LYS A 101 -1.950 18.161 -2.160 1.00 0.00 C ATOM 1528 CE LYS A 101 -1.057 17.066 -2.722 1.00 0.00 C ATOM 1529 NZ LYS A 101 0.375 17.289 -2.382 1.00 0.00 N ATOM 0 H LYS A 101 -3.787 16.254 -5.247 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.848 17.460 -3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.087 18.344 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.199 19.417 -3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.012 18.289 -1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.575 16.769 -2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.705 19.111 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.757 18.278 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.377 16.100 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.171 17.025 -3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.951 16.521 -2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.688 18.199 -2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.488 17.303 -1.348 1.00 0.00 H new ATOM 1543 N LEU A 102 -6.569 19.321 -5.121 1.00 0.00 N ATOM 1544 CA LEU A 102 -7.232 20.132 -6.136 1.00 0.00 C ATOM 1545 C LEU A 102 -6.215 20.933 -6.943 1.00 0.00 C ATOM 1546 O LEU A 102 -6.547 21.514 -7.975 1.00 0.00 O ATOM 1547 CB LEU A 102 -8.240 21.079 -5.481 1.00 0.00 C ATOM 1548 CG LEU A 102 -9.604 20.476 -5.142 1.00 0.00 C ATOM 1549 CD1 LEU A 102 -10.562 20.632 -6.312 1.00 0.00 C ATOM 1550 CD2 LEU A 102 -9.459 19.010 -4.760 1.00 0.00 C ATOM 0 H LEU A 102 -6.818 19.561 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.760 19.462 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.799 21.469 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.396 21.929 -6.146 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.016 21.014 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.527 20.197 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.690 21.690 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.157 20.120 -7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.439 18.597 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.026 18.458 -5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.808 18.923 -3.890 1.00 0.00 H new ATOM 1562 N ASN A 103 -4.975 20.956 -6.466 1.00 0.00 N ATOM 1563 CA ASN A 103 -3.908 21.684 -7.144 1.00 0.00 C ATOM 1564 C ASN A 103 -3.141 20.767 -8.092 1.00 0.00 C ATOM 1565 O ASN A 103 -1.959 20.984 -8.362 1.00 0.00 O ATOM 1566 CB ASN A 103 -2.949 22.296 -6.121 1.00 0.00 C ATOM 1567 CG ASN A 103 -1.778 23.002 -6.776 1.00 0.00 C ATOM 1568 OD1 ASN A 103 -1.959 23.826 -7.673 1.00 0.00 O ATOM 1569 ND2 ASN A 103 -0.569 22.681 -6.330 1.00 0.00 N ATOM 0 H ASN A 103 -4.684 20.479 -5.613 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.363 22.484 -7.729 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.493 23.004 -5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.575 21.512 -5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.257 23.123 -6.733 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.467 21.992 -5.585 1.00 0.00 H new ATOM 1576 N LEU A 104 -3.821 19.742 -8.593 1.00 0.00 N ATOM 1577 CA LEU A 104 -3.204 18.791 -9.512 1.00 0.00 C ATOM 1578 C LEU A 104 -1.973 18.147 -8.883 1.00 0.00 C ATOM 1579 O LEU A 104 -0.916 18.065 -9.508 1.00 0.00 O ATOM 1580 CB LEU A 104 -2.818 19.490 -10.817 1.00 0.00 C ATOM 1581 CG LEU A 104 -3.934 20.263 -11.520 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -3.427 20.870 -12.819 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -5.127 19.356 -11.783 1.00 0.00 C ATOM 0 H LEU A 104 -4.799 19.548 -8.379 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.931 18.008 -9.728 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.001 20.181 -10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.432 18.740 -11.507 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.256 21.073 -10.866 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.235 21.416 -13.305 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.605 21.553 -12.605 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.077 20.076 -13.479 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.912 19.923 -12.284 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.819 18.524 -12.417 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.506 18.970 -10.837 1.00 0.00 H new ATOM 1595 N MET A 105 -2.119 17.688 -7.644 1.00 0.00 N ATOM 1596 CA MET A 105 -1.019 17.047 -6.933 1.00 0.00 C ATOM 1597 C MET A 105 -1.481 15.753 -6.271 1.00 0.00 C ATOM 1598 O MET A 105 -2.651 15.381 -6.362 1.00 0.00 O ATOM 1599 CB MET A 105 -0.445 17.996 -5.879 1.00 0.00 C ATOM 1600 CG MET A 105 0.336 19.159 -6.469 1.00 0.00 C ATOM 1601 SD MET A 105 2.081 18.772 -6.712 1.00 0.00 S ATOM 1602 CE MET A 105 2.189 18.805 -8.499 1.00 0.00 C ATOM 0 H MET A 105 -2.987 17.748 -7.112 1.00 0.00 H new ATOM 0 HA MET A 105 -0.241 16.806 -7.658 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.261 18.388 -5.272 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.207 17.433 -5.211 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.106 19.441 -7.425 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.248 20.023 -5.810 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.229 18.690 -8.803 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.597 17.989 -8.914 1.00 0.00 H new ATOM 0 HE3 MET A 105 1.806 19.756 -8.869 1.00 0.00 H new ATOM 1612 N SER A 106 -0.555 15.070 -5.606 1.00 0.00 N ATOM 1613 CA SER A 106 -0.867 13.815 -4.933 1.00 0.00 C ATOM 1614 C SER A 106 0.173 13.500 -3.862 1.00 0.00 C ATOM 1615 O SER A 106 1.365 13.738 -4.050 1.00 0.00 O ATOM 1616 CB SER A 106 -0.933 12.671 -5.947 1.00 0.00 C ATOM 1617 OG SER A 106 -1.549 13.092 -7.151 1.00 0.00 O ATOM 0 H SER A 106 0.418 15.365 -5.519 1.00 0.00 H new ATOM 0 HA SER A 106 -1.839 13.921 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.073 12.309 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.490 11.836 -5.522 1.00 0.00 H new ATOM 0 HG SER A 106 -2.292 13.696 -6.944 1.00 0.00 H new ATOM 1623 N GLU A 107 -0.289 12.963 -2.737 1.00 0.00 N ATOM 1624 CA GLU A 107 0.600 12.616 -1.635 1.00 0.00 C ATOM 1625 C GLU A 107 0.814 11.107 -1.562 1.00 0.00 C ATOM 1626 O GLU A 107 0.298 10.357 -2.389 1.00 0.00 O ATOM 1627 CB GLU A 107 0.030 13.126 -0.310 1.00 0.00 C ATOM 1628 CG GLU A 107 0.383 14.574 -0.012 1.00 0.00 C ATOM 1629 CD GLU A 107 0.372 14.883 1.473 1.00 0.00 C ATOM 1630 OE1 GLU A 107 -0.712 15.207 2.002 1.00 0.00 O ATOM 1631 OE2 GLU A 107 1.446 14.802 2.105 1.00 0.00 O ATOM 0 H GLU A 107 -1.274 12.759 -2.565 1.00 0.00 H new ATOM 0 HA GLU A 107 1.563 13.094 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.055 13.021 -0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.398 12.497 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.370 14.794 -0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.324 15.229 -0.521 1.00 0.00 H new ATOM 1638 N GLU A 108 1.578 10.671 -0.565 1.00 0.00 N ATOM 1639 CA GLU A 108 1.861 9.252 -0.385 1.00 0.00 C ATOM 1640 C GLU A 108 1.937 8.896 1.096 1.00 0.00 C ATOM 1641 O GLU A 108 2.503 9.640 1.897 1.00 0.00 O ATOM 1642 CB GLU A 108 3.173 8.878 -1.079 1.00 0.00 C ATOM 1643 CG GLU A 108 2.993 8.425 -2.518 1.00 0.00 C ATOM 1644 CD GLU A 108 4.192 8.753 -3.387 1.00 0.00 C ATOM 1645 OE1 GLU A 108 5.276 8.183 -3.143 1.00 0.00 O ATOM 1646 OE2 GLU A 108 4.046 9.581 -4.311 1.00 0.00 O ATOM 0 H GLU A 108 2.011 11.279 0.129 1.00 0.00 H new ATOM 0 HA GLU A 108 1.046 8.686 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.843 9.738 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.659 8.082 -0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.818 7.349 -2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.105 8.900 -2.936 1.00 0.00 H new ATOM 1653 N VAL A 109 1.361 7.752 1.455 1.00 0.00 N ATOM 1654 CA VAL A 109 1.363 7.296 2.839 1.00 0.00 C ATOM 1655 C VAL A 109 1.100 5.797 2.925 1.00 0.00 C ATOM 1656 O VAL A 109 0.083 5.304 2.437 1.00 0.00 O ATOM 1657 CB VAL A 109 0.306 8.040 3.677 1.00 0.00 C ATOM 1658 CG1 VAL A 109 -1.063 7.938 3.022 1.00 0.00 C ATOM 1659 CG2 VAL A 109 0.270 7.493 5.096 1.00 0.00 C ATOM 0 H VAL A 109 0.887 7.125 0.805 1.00 0.00 H new ATOM 0 HA VAL A 109 2.353 7.512 3.241 1.00 0.00 H new ATOM 0 HB VAL A 109 0.581 9.094 3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.797 8.469 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.024 8.382 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.350 6.890 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.482 8.030 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.019 6.432 5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.247 7.624 5.561 1.00 0.00 H new ATOM 1669 N THR A 110 2.025 5.074 3.549 1.00 0.00 N ATOM 1670 CA THR A 110 1.894 3.630 3.698 1.00 0.00 C ATOM 1671 C THR A 110 1.192 3.274 5.003 1.00 0.00 C ATOM 1672 O THR A 110 1.809 3.256 6.067 1.00 0.00 O ATOM 1673 CB THR A 110 3.268 2.935 3.662 1.00 0.00 C ATOM 1674 OG1 THR A 110 4.187 3.705 2.878 1.00 0.00 O ATOM 1675 CG2 THR A 110 3.150 1.533 3.082 1.00 0.00 C ATOM 0 H THR A 110 2.873 5.465 3.959 1.00 0.00 H new ATOM 0 HA THR A 110 1.295 3.278 2.858 1.00 0.00 H new ATOM 0 HB THR A 110 3.639 2.859 4.684 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.058 3.257 2.862 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.133 1.062 3.067 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.473 0.940 3.697 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.760 1.591 2.066 1.00 0.00 H new ATOM 1683 N GLY A 111 -0.104 2.989 4.914 1.00 0.00 N ATOM 1684 CA GLY A 111 -0.869 2.636 6.095 1.00 0.00 C ATOM 1685 C GLY A 111 -1.417 1.225 6.031 1.00 0.00 C ATOM 1686 O GLY A 111 -2.346 0.947 5.272 1.00 0.00 O ATOM 0 H GLY A 111 -0.637 2.996 4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.237 2.737 6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.695 3.338 6.212 1.00 0.00 H new ATOM 1690 N GLN A 112 -0.841 0.330 6.828 1.00 0.00 N ATOM 1691 CA GLN A 112 -1.277 -1.061 6.855 1.00 0.00 C ATOM 1692 C GLN A 112 -1.584 -1.507 8.281 1.00 0.00 C ATOM 1693 O GLN A 112 -1.544 -0.706 9.215 1.00 0.00 O ATOM 1694 CB GLN A 112 -0.204 -1.965 6.245 1.00 0.00 C ATOM 1695 CG GLN A 112 1.138 -1.879 6.953 1.00 0.00 C ATOM 1696 CD GLN A 112 1.837 -0.554 6.720 1.00 0.00 C ATOM 1697 OE1 GLN A 112 1.865 -0.042 5.600 1.00 0.00 O ATOM 1698 NE2 GLN A 112 2.406 0.009 7.779 1.00 0.00 N ATOM 0 H GLN A 112 -0.072 0.544 7.463 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.189 -1.142 6.264 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.553 -2.997 6.270 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.070 -1.699 5.196 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.990 -2.024 8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.779 -2.690 6.607 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.358 -0.451 8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.891 0.901 7.683 1.00 0.00 H new ATOM 1707 N PHE A 113 -1.891 -2.790 8.441 1.00 0.00 N ATOM 1708 CA PHE A 113 -2.207 -3.342 9.753 1.00 0.00 C ATOM 1709 C PHE A 113 -1.697 -4.775 9.877 1.00 0.00 C ATOM 1710 O PHE A 113 -1.027 -5.286 8.980 1.00 0.00 O ATOM 1711 CB PHE A 113 -3.717 -3.304 9.996 1.00 0.00 C ATOM 1712 CG PHE A 113 -4.506 -4.099 8.995 1.00 0.00 C ATOM 1713 CD1 PHE A 113 -4.822 -3.562 7.758 1.00 0.00 C ATOM 1714 CD2 PHE A 113 -4.931 -5.384 9.291 1.00 0.00 C ATOM 1715 CE1 PHE A 113 -5.547 -4.291 6.834 1.00 0.00 C ATOM 1716 CE2 PHE A 113 -5.656 -6.118 8.371 1.00 0.00 C ATOM 1717 CZ PHE A 113 -5.965 -5.570 7.142 1.00 0.00 C ATOM 0 H PHE A 113 -1.928 -3.467 7.679 1.00 0.00 H new ATOM 0 HA PHE A 113 -1.709 -2.731 10.506 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.926 -3.685 10.996 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.055 -2.268 9.972 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.498 -2.561 7.512 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.693 -5.817 10.251 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.786 -3.861 5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -5.980 -7.119 8.613 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.533 -6.141 6.423 1.00 0.00 H new ATOM 1727 N SER A 114 -2.018 -5.416 10.996 1.00 0.00 N ATOM 1728 CA SER A 114 -1.589 -6.788 11.241 1.00 0.00 C ATOM 1729 C SER A 114 -2.758 -7.647 11.713 1.00 0.00 C ATOM 1730 O SER A 114 -3.648 -7.171 12.418 1.00 0.00 O ATOM 1731 CB SER A 114 -0.467 -6.816 12.281 1.00 0.00 C ATOM 1732 OG SER A 114 0.112 -8.106 12.372 1.00 0.00 O ATOM 0 H SER A 114 -2.574 -5.007 11.747 1.00 0.00 H new ATOM 0 HA SER A 114 -1.215 -7.199 10.303 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.299 -6.088 12.014 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.861 -6.521 13.254 1.00 0.00 H new ATOM 0 HG SER A 114 0.827 -8.097 13.042 1.00 0.00 H new ATOM 1738 N VAL A 115 -2.748 -8.917 11.319 1.00 0.00 N ATOM 1739 CA VAL A 115 -3.806 -9.844 11.702 1.00 0.00 C ATOM 1740 C VAL A 115 -3.247 -11.017 12.500 1.00 0.00 C ATOM 1741 O VAL A 115 -2.127 -11.468 12.258 1.00 0.00 O ATOM 1742 CB VAL A 115 -4.552 -10.385 10.468 1.00 0.00 C ATOM 1743 CG1 VAL A 115 -5.670 -11.326 10.890 1.00 0.00 C ATOM 1744 CG2 VAL A 115 -5.096 -9.239 9.630 1.00 0.00 C ATOM 0 H VAL A 115 -2.019 -9.327 10.735 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.506 -9.286 12.324 1.00 0.00 H new ATOM 0 HB VAL A 115 -3.847 -10.949 9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.186 -11.698 10.005 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.250 -12.165 11.445 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.377 -10.790 11.523 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.620 -9.640 8.762 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.787 -8.646 10.229 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.272 -8.609 9.297 1.00 0.00 H new ATOM 1754 N HIS A 116 -4.034 -11.508 13.451 1.00 0.00 N ATOM 1755 CA HIS A 116 -3.618 -12.631 14.284 1.00 0.00 C ATOM 1756 C HIS A 116 -4.808 -13.523 14.627 1.00 0.00 C ATOM 1757 O HIS A 116 -5.886 -13.050 14.988 1.00 0.00 O ATOM 1758 CB HIS A 116 -2.959 -12.124 15.567 1.00 0.00 C ATOM 1759 CG HIS A 116 -3.916 -11.464 16.512 1.00 0.00 C ATOM 1760 ND1 HIS A 116 -4.224 -11.980 17.753 1.00 0.00 N ATOM 1761 CD2 HIS A 116 -4.633 -10.322 16.392 1.00 0.00 C ATOM 1762 CE1 HIS A 116 -5.091 -11.185 18.355 1.00 0.00 C ATOM 1763 NE2 HIS A 116 -5.355 -10.172 17.551 1.00 0.00 N ATOM 0 H HIS A 116 -4.964 -11.146 13.664 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.895 -13.221 13.721 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.479 -12.961 16.074 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -2.172 -11.416 15.306 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -4.637 -9.654 15.544 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.512 -11.338 19.338 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -5.992 -9.402 17.757 1.00 0.00 H new ATOM 1772 N PRO A 117 -4.609 -14.844 14.513 1.00 0.00 N ATOM 1773 CA PRO A 117 -5.654 -15.830 14.806 1.00 0.00 C ATOM 1774 C PRO A 117 -5.976 -15.908 16.295 1.00 0.00 C ATOM 1775 O PRO A 117 -5.075 -15.946 17.132 1.00 0.00 O ATOM 1776 CB PRO A 117 -5.045 -17.147 14.321 1.00 0.00 C ATOM 1777 CG PRO A 117 -3.572 -16.934 14.394 1.00 0.00 C ATOM 1778 CD PRO A 117 -3.350 -15.478 14.089 1.00 0.00 C ATOM 0 HA PRO A 117 -6.599 -15.578 14.324 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.356 -17.982 14.949 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.361 -17.378 13.304 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -3.189 -17.189 15.382 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -3.050 -17.567 13.677 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -2.495 -15.079 14.635 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -3.155 -15.315 13.029 1.00 0.00 H new ATOM 1786 N GLU A 118 -7.266 -15.931 16.616 1.00 0.00 N ATOM 1787 CA GLU A 118 -7.705 -16.005 18.005 1.00 0.00 C ATOM 1788 C GLU A 118 -7.434 -17.388 18.589 1.00 0.00 C ATOM 1789 O GLU A 118 -8.310 -18.254 18.598 1.00 0.00 O ATOM 1790 CB GLU A 118 -9.196 -15.678 18.110 1.00 0.00 C ATOM 1791 CG GLU A 118 -9.489 -14.188 18.172 1.00 0.00 C ATOM 1792 CD GLU A 118 -9.086 -13.569 19.497 1.00 0.00 C ATOM 1793 OE1 GLU A 118 -9.710 -13.907 20.524 1.00 0.00 O ATOM 1794 OE2 GLU A 118 -8.146 -12.747 19.505 1.00 0.00 O ATOM 0 H GLU A 118 -8.024 -15.900 15.934 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.138 -15.271 18.578 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.715 -16.106 17.252 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.603 -16.157 19.001 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.960 -13.683 17.364 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.554 -14.024 18.007 1.00 0.00 H new ATOM 1801 N THR A 119 -6.214 -17.591 19.076 1.00 0.00 N ATOM 1802 CA THR A 119 -5.826 -18.868 19.660 1.00 0.00 C ATOM 1803 C THR A 119 -4.899 -18.668 20.853 1.00 0.00 C ATOM 1804 O THR A 119 -4.097 -17.735 20.898 1.00 0.00 O ATOM 1805 CB THR A 119 -5.125 -19.769 18.625 1.00 0.00 C ATOM 1806 OG1 THR A 119 -4.057 -19.053 17.995 1.00 0.00 O ATOM 1807 CG2 THR A 119 -6.110 -20.251 17.571 1.00 0.00 C ATOM 0 H THR A 119 -5.477 -16.886 19.077 1.00 0.00 H new ATOM 0 HA THR A 119 -6.743 -19.355 19.993 1.00 0.00 H new ATOM 0 HB THR A 119 -4.722 -20.637 19.146 1.00 0.00 H new ATOM 0 HG1 THR A 119 -3.616 -19.633 17.340 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.592 -20.885 16.852 1.00 0.00 H new ATOM 0 HG22 THR A 119 -6.906 -20.821 18.050 1.00 0.00 H new ATOM 0 HG23 THR A 119 -6.539 -19.392 17.055 1.00 0.00 H new ATOM 1815 N PRO A 120 -5.009 -19.565 21.845 1.00 0.00 N ATOM 1816 CA PRO A 120 -4.187 -19.508 23.058 1.00 0.00 C ATOM 1817 C PRO A 120 -2.725 -19.844 22.783 1.00 0.00 C ATOM 1818 O PRO A 120 -2.419 -20.711 21.965 1.00 0.00 O ATOM 1819 CB PRO A 120 -4.818 -20.568 23.964 1.00 0.00 C ATOM 1820 CG PRO A 120 -5.475 -21.524 23.029 1.00 0.00 C ATOM 1821 CD PRO A 120 -5.943 -20.703 21.859 1.00 0.00 C ATOM 0 HA PRO A 120 -4.172 -18.509 23.494 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -4.065 -21.066 24.575 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -5.541 -20.124 24.649 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -4.778 -22.298 22.709 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -6.312 -22.029 23.511 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -5.901 -21.269 20.928 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -6.975 -20.375 21.986 1.00 0.00 H new ATOM 1829 N LYS A 121 -1.824 -19.153 23.473 1.00 0.00 N ATOM 1830 CA LYS A 121 -0.393 -19.379 23.306 1.00 0.00 C ATOM 1831 C LYS A 121 0.107 -20.443 24.277 1.00 0.00 C ATOM 1832 O LYS A 121 -0.053 -20.333 25.493 1.00 0.00 O ATOM 1833 CB LYS A 121 0.378 -18.074 23.521 1.00 0.00 C ATOM 1834 CG LYS A 121 -0.026 -17.329 24.781 1.00 0.00 C ATOM 1835 CD LYS A 121 1.070 -16.385 25.246 1.00 0.00 C ATOM 1836 CE LYS A 121 0.535 -15.347 26.221 1.00 0.00 C ATOM 1837 NZ LYS A 121 0.143 -15.957 27.521 1.00 0.00 N ATOM 0 H LYS A 121 -2.060 -18.431 24.154 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.222 -19.732 22.289 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.444 -18.295 23.566 1.00 0.00 H new ATOM 0 HB3 LYS A 121 0.223 -17.424 22.660 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -0.939 -16.764 24.594 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.251 -18.045 25.572 1.00 0.00 H new ATOM 0 HD2 LYS A 121 1.866 -16.957 25.722 1.00 0.00 H new ATOM 0 HD3 LYS A 121 1.510 -15.883 24.384 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.295 -14.584 26.392 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -0.327 -14.845 25.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -0.216 -15.217 28.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.600 -16.667 27.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 0.971 -16.414 27.954 1.00 0.00 H new ATOM 1851 N PRO A 122 0.728 -21.499 23.731 1.00 0.00 N ATOM 1852 CA PRO A 122 1.265 -22.603 24.532 1.00 0.00 C ATOM 1853 C PRO A 122 2.483 -22.186 25.350 1.00 0.00 C ATOM 1854 O PRO A 122 3.054 -21.117 25.131 1.00 0.00 O ATOM 1855 CB PRO A 122 1.658 -23.645 23.482 1.00 0.00 C ATOM 1856 CG PRO A 122 1.908 -22.858 22.242 1.00 0.00 C ATOM 1857 CD PRO A 122 0.953 -21.697 22.289 1.00 0.00 C ATOM 0 HA PRO A 122 0.542 -22.966 25.263 1.00 0.00 H new ATOM 0 HB2 PRO A 122 2.547 -24.198 23.786 1.00 0.00 H new ATOM 0 HB3 PRO A 122 0.864 -24.376 23.333 1.00 0.00 H new ATOM 0 HG2 PRO A 122 2.941 -22.512 22.201 1.00 0.00 H new ATOM 0 HG3 PRO A 122 1.740 -23.466 21.353 1.00 0.00 H new ATOM 0 HD2 PRO A 122 1.378 -20.808 21.823 1.00 0.00 H new ATOM 0 HD3 PRO A 122 0.024 -21.919 21.764 1.00 0.00 H new ATOM 1865 N SER A 123 2.876 -23.036 26.293 1.00 0.00 N ATOM 1866 CA SER A 123 4.025 -22.754 27.146 1.00 0.00 C ATOM 1867 C SER A 123 5.253 -22.411 26.308 1.00 0.00 C ATOM 1868 O SER A 123 5.830 -21.332 26.445 1.00 0.00 O ATOM 1869 CB SER A 123 4.326 -23.954 28.045 1.00 0.00 C ATOM 1870 OG SER A 123 5.345 -23.647 28.981 1.00 0.00 O ATOM 0 H SER A 123 2.416 -23.926 26.486 1.00 0.00 H new ATOM 0 HA SER A 123 3.781 -21.894 27.770 1.00 0.00 H new ATOM 0 HB2 SER A 123 3.421 -24.253 28.573 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.633 -24.803 27.434 1.00 0.00 H new ATOM 0 HG SER A 123 5.518 -24.430 29.545 1.00 0.00 H new ATOM 1876 N ILE A 124 5.646 -23.338 25.440 1.00 0.00 N ATOM 1877 CA ILE A 124 6.805 -23.134 24.579 1.00 0.00 C ATOM 1878 C ILE A 124 6.401 -22.489 23.258 1.00 0.00 C ATOM 1879 O ILE A 124 5.348 -22.799 22.699 1.00 0.00 O ATOM 1880 CB ILE A 124 7.530 -24.461 24.288 1.00 0.00 C ATOM 1881 CG1 ILE A 124 8.779 -24.210 23.441 1.00 0.00 C ATOM 1882 CG2 ILE A 124 6.594 -25.434 23.585 1.00 0.00 C ATOM 1883 CD1 ILE A 124 9.904 -23.546 24.205 1.00 0.00 C ATOM 0 H ILE A 124 5.180 -24.236 25.315 1.00 0.00 H new ATOM 0 HA ILE A 124 7.483 -22.468 25.114 1.00 0.00 H new ATOM 0 HB ILE A 124 7.839 -24.904 25.235 1.00 0.00 H new ATOM 0 HG12 ILE A 124 9.134 -25.160 23.041 1.00 0.00 H new ATOM 0 HG13 ILE A 124 8.511 -23.585 22.589 1.00 0.00 H new ATOM 0 HG21 ILE A 124 7.121 -26.367 23.386 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.732 -25.633 24.221 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.258 -25.000 22.643 1.00 0.00 H new ATOM 0 HD11 ILE A 124 10.757 -23.399 23.542 1.00 0.00 H new ATOM 0 HD12 ILE A 124 9.567 -22.581 24.583 1.00 0.00 H new ATOM 0 HD13 ILE A 124 10.200 -24.180 25.041 1.00 0.00 H new ATOM 1895 N SER A 125 7.245 -21.590 22.762 1.00 0.00 N ATOM 1896 CA SER A 125 6.976 -20.898 21.507 1.00 0.00 C ATOM 1897 C SER A 125 8.241 -20.236 20.969 1.00 0.00 C ATOM 1898 O SER A 125 9.262 -20.176 21.652 1.00 0.00 O ATOM 1899 CB SER A 125 5.881 -19.848 21.703 1.00 0.00 C ATOM 1900 OG SER A 125 6.301 -18.836 22.602 1.00 0.00 O ATOM 0 H SER A 125 8.122 -21.324 23.211 1.00 0.00 H new ATOM 0 HA SER A 125 6.636 -21.636 20.780 1.00 0.00 H new ATOM 0 HB2 SER A 125 5.624 -19.402 20.742 1.00 0.00 H new ATOM 0 HB3 SER A 125 4.978 -20.326 22.084 1.00 0.00 H new ATOM 0 HG SER A 125 5.585 -18.176 22.709 1.00 0.00 H new ATOM 1906 N GLY A 126 8.163 -19.740 19.738 1.00 0.00 N ATOM 1907 CA GLY A 126 9.308 -19.088 19.127 1.00 0.00 C ATOM 1908 C GLY A 126 10.396 -20.070 18.741 1.00 0.00 C ATOM 1909 O GLY A 126 11.514 -20.024 19.254 1.00 0.00 O ATOM 0 H GLY A 126 7.328 -19.778 19.153 1.00 0.00 H new ATOM 0 HA2 GLY A 126 8.982 -18.544 18.240 1.00 0.00 H new ATOM 0 HA3 GLY A 126 9.716 -18.352 19.820 1.00 0.00 H new ATOM 1913 N PRO A 127 10.071 -20.986 17.816 1.00 0.00 N ATOM 1914 CA PRO A 127 11.015 -22.002 17.342 1.00 0.00 C ATOM 1915 C PRO A 127 12.135 -21.403 16.497 1.00 0.00 C ATOM 1916 O PRO A 127 11.956 -20.366 15.857 1.00 0.00 O ATOM 1917 CB PRO A 127 10.142 -22.929 16.493 1.00 0.00 C ATOM 1918 CG PRO A 127 9.006 -22.075 16.046 1.00 0.00 C ATOM 1919 CD PRO A 127 8.756 -21.100 17.162 1.00 0.00 C ATOM 0 HA PRO A 127 11.519 -22.506 18.166 1.00 0.00 H new ATOM 0 HB2 PRO A 127 10.697 -23.327 15.643 1.00 0.00 H new ATOM 0 HB3 PRO A 127 9.791 -23.783 17.072 1.00 0.00 H new ATOM 0 HG2 PRO A 127 9.250 -21.554 15.120 1.00 0.00 H new ATOM 0 HG3 PRO A 127 8.119 -22.677 15.848 1.00 0.00 H new ATOM 0 HD2 PRO A 127 8.410 -20.138 16.785 1.00 0.00 H new ATOM 0 HD3 PRO A 127 7.995 -21.465 17.851 1.00 0.00 H new ATOM 1927 N SER A 128 13.289 -22.062 16.499 1.00 0.00 N ATOM 1928 CA SER A 128 14.439 -21.593 15.735 1.00 0.00 C ATOM 1929 C SER A 128 14.270 -21.907 14.251 1.00 0.00 C ATOM 1930 O SER A 128 14.563 -23.016 13.804 1.00 0.00 O ATOM 1931 CB SER A 128 15.724 -22.234 16.261 1.00 0.00 C ATOM 1932 OG SER A 128 15.683 -23.644 16.124 1.00 0.00 O ATOM 0 H SER A 128 13.453 -22.923 17.021 1.00 0.00 H new ATOM 0 HA SER A 128 14.507 -20.512 15.854 1.00 0.00 H new ATOM 0 HB2 SER A 128 16.581 -21.837 15.717 1.00 0.00 H new ATOM 0 HB3 SER A 128 15.863 -21.971 17.310 1.00 0.00 H new ATOM 0 HG SER A 128 15.348 -23.876 15.233 1.00 0.00 H new ATOM 1938 N SER A 129 13.796 -20.923 13.494 1.00 0.00 N ATOM 1939 CA SER A 129 13.585 -21.094 12.062 1.00 0.00 C ATOM 1940 C SER A 129 14.480 -20.151 11.264 1.00 0.00 C ATOM 1941 O SER A 129 14.487 -18.942 11.492 1.00 0.00 O ATOM 1942 CB SER A 129 12.117 -20.845 11.708 1.00 0.00 C ATOM 1943 OG SER A 129 11.338 -22.011 11.910 1.00 0.00 O ATOM 0 H SER A 129 13.551 -19.999 13.849 1.00 0.00 H new ATOM 0 HA SER A 129 13.845 -22.120 11.801 1.00 0.00 H new ATOM 0 HB2 SER A 129 11.725 -20.032 12.319 1.00 0.00 H new ATOM 0 HB3 SER A 129 12.039 -20.528 10.668 1.00 0.00 H new ATOM 0 HG SER A 129 10.404 -21.825 11.678 1.00 0.00 H new ATOM 1949 N GLY A 130 15.234 -20.714 10.325 1.00 0.00 N ATOM 1950 CA GLY A 130 16.123 -19.910 9.506 1.00 0.00 C ATOM 1951 C GLY A 130 16.865 -20.735 8.474 1.00 0.00 C ATOM 1952 O GLY A 130 17.157 -20.255 7.379 1.00 0.00 O ATOM 0 H GLY A 130 15.245 -21.712 10.117 1.00 0.00 H new ATOM 0 HA2 GLY A 130 15.546 -19.136 9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 130 16.844 -19.403 10.148 1.00 0.00 H new TER 1956 GLY A 130