USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 713 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 4 GLN : amide:sc= -8.32! C(o=-12!,f=-13!) USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 92 THR OG1 : rot 90:sc= -3.45! USER MOD Single : A 1 VAL N :NH3+ 143:sc= -0.158 (180deg=-1.37!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc=-0.00276 K(o=-0.0028,f=-1.7!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0621 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.488 K(o=-0.49,f=-1.8!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.92! C(o=-1.9!,f=-7.5!) USER MOD Single : A 49 SER OG : rot 180:sc= -3.94! USER MOD Single : A 50 ASN :FLIP amide:sc= -3.44! C(o=-5.7!,f=-3.4!) USER MOD Single : A 52 ASN : amide:sc= -0.393 K(o=-0.39,f=-2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= -0.358 (180deg=-1.83!) USER MOD Single : A 65 ASN : amide:sc= -0.0105 K(o=-0.01,f=-1.4!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 71 GLN : amide:sc= -1.65 K(o=-1.6,f=-2.3!) USER MOD Single : A 82 THR OG1 : rot -170:sc=0.000136 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.382 -11.084 0.133 1.00 0.00 N ATOM 2 CA VAL A 1 -0.538 -10.465 1.197 1.00 0.00 C ATOM 3 C VAL A 1 -1.395 -10.129 2.420 1.00 0.00 C ATOM 4 O VAL A 1 -1.514 -8.985 2.810 1.00 0.00 O ATOM 5 CB VAL A 1 0.018 -9.190 0.566 1.00 0.00 C ATOM 6 CG1 VAL A 1 -1.138 -8.262 0.186 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.932 -8.481 1.568 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.059 -10.757 -0.800 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.301 -12.120 0.184 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.375 -10.807 0.272 1.00 0.00 H new ATOM 0 HA VAL A 1 0.255 -11.131 1.538 1.00 0.00 H new ATOM 0 HB VAL A 1 0.587 -9.446 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -0.741 -7.352 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -1.790 -8.766 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -1.708 -8.006 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.329 -7.571 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.363 -8.225 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.756 -9.141 1.839 1.00 0.00 H new ATOM 19 N THR A 2 -2.002 -11.116 3.023 1.00 0.00 N ATOM 20 CA THR A 2 -2.857 -10.846 4.215 1.00 0.00 C ATOM 21 C THR A 2 -2.034 -10.926 5.504 1.00 0.00 C ATOM 22 O THR A 2 -1.098 -11.693 5.614 1.00 0.00 O ATOM 23 CB THR A 2 -3.922 -11.944 4.198 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.555 -11.968 2.927 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.964 -11.664 5.284 1.00 0.00 C ATOM 0 H THR A 2 -1.943 -12.095 2.743 1.00 0.00 H new ATOM 0 HA THR A 2 -3.292 -9.847 4.182 1.00 0.00 H new ATOM 0 HB THR A 2 -3.452 -12.909 4.389 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.236 -12.672 2.914 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.722 -12.447 5.271 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.477 -11.646 6.259 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.435 -10.699 5.096 1.00 0.00 H new ATOM 33 N VAL A 3 -2.396 -10.145 6.484 1.00 0.00 N ATOM 34 CA VAL A 3 -1.659 -10.174 7.780 1.00 0.00 C ATOM 35 C VAL A 3 -2.403 -11.075 8.769 1.00 0.00 C ATOM 36 O VAL A 3 -3.541 -10.826 9.110 1.00 0.00 O ATOM 37 CB VAL A 3 -1.648 -8.724 8.264 1.00 0.00 C ATOM 38 CG1 VAL A 3 -1.297 -8.686 9.753 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.604 -7.932 7.475 1.00 0.00 C ATOM 0 H VAL A 3 -3.173 -9.486 6.443 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.648 -10.568 7.683 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.633 -8.282 8.111 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.289 -7.652 10.099 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.039 -9.251 10.316 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.312 -9.127 9.906 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.595 -6.898 7.819 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.380 -8.374 7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.852 -7.959 6.414 1.00 0.00 H new ATOM 49 N GLN A 4 -1.779 -12.128 9.222 1.00 0.00 N ATOM 50 CA GLN A 4 -2.470 -13.043 10.176 1.00 0.00 C ATOM 51 C GLN A 4 -1.702 -13.138 11.496 1.00 0.00 C ATOM 52 O GLN A 4 -0.647 -12.557 11.658 1.00 0.00 O ATOM 53 CB GLN A 4 -2.495 -14.401 9.472 1.00 0.00 C ATOM 54 CG GLN A 4 -1.083 -14.989 9.442 1.00 0.00 C ATOM 55 CD GLN A 4 -1.148 -16.445 8.977 1.00 0.00 C ATOM 56 OE1 GLN A 4 -2.198 -17.056 9.004 1.00 0.00 O ATOM 57 NE2 GLN A 4 -0.064 -17.030 8.548 1.00 0.00 N ATOM 0 H GLN A 4 -0.826 -12.394 8.975 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.470 -12.689 10.426 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.171 -15.079 9.992 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.875 -14.289 8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.450 -14.409 8.770 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.632 -14.932 10.433 1.00 0.00 H new ATOM 0 HE21 GLN A 4 0.817 -16.517 8.525 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.098 -18.000 8.235 1.00 0.00 H new ATOM 66 N ASP A 5 -2.230 -13.871 12.440 1.00 0.00 N ATOM 67 CA ASP A 5 -1.541 -14.012 13.755 1.00 0.00 C ATOM 68 C ASP A 5 -1.888 -15.359 14.390 1.00 0.00 C ATOM 69 O ASP A 5 -1.033 -16.192 14.611 1.00 0.00 O ATOM 70 CB ASP A 5 -2.079 -12.864 14.608 1.00 0.00 C ATOM 71 CG ASP A 5 -1.332 -12.830 15.943 1.00 0.00 C ATOM 72 OD1 ASP A 5 -0.387 -13.588 16.091 1.00 0.00 O ATOM 73 OD2 ASP A 5 -1.717 -12.047 16.796 1.00 0.00 O ATOM 0 H ASP A 5 -3.111 -14.379 12.356 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.456 -13.975 13.659 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.953 -11.917 14.084 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -3.148 -12.994 14.780 1.00 0.00 H new ATOM 78 N GLY A 6 -3.139 -15.577 14.680 1.00 0.00 N ATOM 79 CA GLY A 6 -3.548 -16.869 15.298 1.00 0.00 C ATOM 80 C GLY A 6 -3.767 -17.904 14.194 1.00 0.00 C ATOM 81 O GLY A 6 -2.851 -18.277 13.488 1.00 0.00 O ATOM 0 H GLY A 6 -3.898 -14.915 14.516 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -2.780 -17.214 15.990 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.462 -16.737 15.876 1.00 0.00 H new ATOM 85 N ASN A 7 -4.974 -18.373 14.037 1.00 0.00 N ATOM 86 CA ASN A 7 -5.249 -19.383 12.976 1.00 0.00 C ATOM 87 C ASN A 7 -6.054 -18.749 11.837 1.00 0.00 C ATOM 88 O ASN A 7 -6.591 -19.432 10.988 1.00 0.00 O ATOM 89 CB ASN A 7 -6.066 -20.473 13.669 1.00 0.00 C ATOM 90 CG ASN A 7 -5.224 -21.117 14.771 1.00 0.00 C ATOM 91 OD1 ASN A 7 -4.015 -20.995 14.778 1.00 0.00 O ATOM 92 ND2 ASN A 7 -5.816 -21.804 15.709 1.00 0.00 N ATOM 0 H ASN A 7 -5.782 -18.101 14.597 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.334 -19.778 12.535 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.975 -20.047 14.093 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.375 -21.227 12.945 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.264 -22.239 16.448 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.831 -21.906 15.703 1.00 0.00 H new ATOM 99 N PHE A 8 -6.142 -17.447 11.814 1.00 0.00 N ATOM 100 CA PHE A 8 -6.912 -16.771 10.731 1.00 0.00 C ATOM 101 C PHE A 8 -6.088 -15.630 10.129 1.00 0.00 C ATOM 102 O PHE A 8 -5.162 -15.131 10.737 1.00 0.00 O ATOM 103 CB PHE A 8 -8.165 -16.227 11.415 1.00 0.00 C ATOM 104 CG PHE A 8 -8.980 -17.373 11.962 1.00 0.00 C ATOM 105 CD1 PHE A 8 -9.813 -18.110 11.109 1.00 0.00 C ATOM 106 CD2 PHE A 8 -8.904 -17.701 13.321 1.00 0.00 C ATOM 107 CE1 PHE A 8 -10.569 -19.173 11.617 1.00 0.00 C ATOM 108 CE2 PHE A 8 -9.660 -18.766 13.827 1.00 0.00 C ATOM 109 CZ PHE A 8 -10.493 -19.501 12.976 1.00 0.00 C ATOM 0 H PHE A 8 -5.714 -16.822 12.498 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.157 -17.449 9.914 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.886 -15.548 12.221 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.759 -15.651 10.705 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.872 -17.858 10.060 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.263 -17.133 13.979 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.211 -19.741 10.960 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.600 -19.020 14.875 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.077 -20.321 13.367 1.00 0.00 H new ATOM 119 N SER A 9 -6.417 -15.213 8.936 1.00 0.00 N ATOM 120 CA SER A 9 -5.652 -14.105 8.296 1.00 0.00 C ATOM 121 C SER A 9 -6.425 -12.789 8.418 1.00 0.00 C ATOM 122 O SER A 9 -7.622 -12.740 8.211 1.00 0.00 O ATOM 123 CB SER A 9 -5.513 -14.516 6.831 1.00 0.00 C ATOM 124 OG SER A 9 -4.885 -15.787 6.755 1.00 0.00 O ATOM 0 H SER A 9 -7.182 -15.592 8.377 1.00 0.00 H new ATOM 0 HA SER A 9 -4.682 -13.945 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.494 -14.554 6.358 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.926 -13.775 6.288 1.00 0.00 H new ATOM 0 HG SER A 9 -4.797 -16.053 5.816 1.00 0.00 H new ATOM 130 N PHE A 10 -5.752 -11.723 8.754 1.00 0.00 N ATOM 131 CA PHE A 10 -6.454 -10.415 8.893 1.00 0.00 C ATOM 132 C PHE A 10 -6.002 -9.441 7.802 1.00 0.00 C ATOM 133 O PHE A 10 -4.832 -9.147 7.666 1.00 0.00 O ATOM 134 CB PHE A 10 -6.044 -9.888 10.270 1.00 0.00 C ATOM 135 CG PHE A 10 -6.234 -10.967 11.309 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.185 -11.976 11.111 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.461 -10.955 12.477 1.00 0.00 C ATOM 138 CE1 PHE A 10 -7.362 -12.971 12.080 1.00 0.00 C ATOM 139 CE2 PHE A 10 -5.640 -11.950 13.446 1.00 0.00 C ATOM 140 CZ PHE A 10 -6.590 -12.957 13.247 1.00 0.00 C ATOM 0 H PHE A 10 -4.749 -11.700 8.938 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.534 -10.523 8.795 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.002 -9.568 10.251 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.642 -9.014 10.527 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.782 -11.987 10.211 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.727 -10.178 12.630 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.095 -13.750 11.927 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.045 -11.940 14.347 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.728 -13.724 13.994 1.00 0.00 H new ATOM 150 N SER A 11 -6.922 -8.932 7.026 1.00 0.00 N ATOM 151 CA SER A 11 -6.540 -7.972 5.951 1.00 0.00 C ATOM 152 C SER A 11 -6.006 -6.678 6.572 1.00 0.00 C ATOM 153 O SER A 11 -6.249 -6.385 7.725 1.00 0.00 O ATOM 154 CB SER A 11 -7.833 -7.709 5.178 1.00 0.00 C ATOM 155 OG SER A 11 -8.391 -8.945 4.758 1.00 0.00 O ATOM 0 H SER A 11 -7.919 -9.139 7.090 1.00 0.00 H new ATOM 0 HA SER A 11 -5.755 -8.361 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.543 -7.172 5.807 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.631 -7.076 4.314 1.00 0.00 H new ATOM 0 HG SER A 11 -9.221 -8.778 4.264 1.00 0.00 H new ATOM 161 N LEU A 12 -5.272 -5.906 5.817 1.00 0.00 N ATOM 162 CA LEU A 12 -4.714 -4.637 6.369 1.00 0.00 C ATOM 163 C LEU A 12 -5.717 -3.490 6.212 1.00 0.00 C ATOM 164 O LEU A 12 -5.710 -2.539 6.968 1.00 0.00 O ATOM 165 CB LEU A 12 -3.463 -4.368 5.534 1.00 0.00 C ATOM 166 CG LEU A 12 -2.461 -5.505 5.738 1.00 0.00 C ATOM 167 CD1 LEU A 12 -1.234 -5.268 4.855 1.00 0.00 C ATOM 168 CD2 LEU A 12 -2.033 -5.549 7.206 1.00 0.00 C ATOM 0 H LEU A 12 -5.035 -6.098 4.844 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.495 -4.715 7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.727 -4.286 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.016 -3.418 5.825 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.926 -6.453 5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.519 -6.078 5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.539 -5.236 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.768 -4.321 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.319 -6.359 7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.568 -4.601 7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.907 -5.718 7.835 1.00 0.00 H new ATOM 180 N GLU A 13 -6.570 -3.565 5.230 1.00 0.00 N ATOM 181 CA GLU A 13 -7.563 -2.471 5.022 1.00 0.00 C ATOM 182 C GLU A 13 -8.483 -2.338 6.238 1.00 0.00 C ATOM 183 O GLU A 13 -8.457 -1.345 6.937 1.00 0.00 O ATOM 184 CB GLU A 13 -8.359 -2.882 3.784 1.00 0.00 C ATOM 185 CG GLU A 13 -9.220 -1.705 3.321 1.00 0.00 C ATOM 186 CD GLU A 13 -10.011 -2.108 2.076 1.00 0.00 C ATOM 187 OE1 GLU A 13 -9.926 -3.263 1.691 1.00 0.00 O ATOM 188 OE2 GLU A 13 -10.689 -1.255 1.528 1.00 0.00 O ATOM 0 H GLU A 13 -6.624 -4.334 4.562 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.080 -1.503 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.681 -3.187 2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.990 -3.741 4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.902 -1.405 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.589 -0.844 3.101 1.00 0.00 H new ATOM 195 N SER A 14 -9.298 -3.324 6.501 1.00 0.00 N ATOM 196 CA SER A 14 -10.214 -3.234 7.676 1.00 0.00 C ATOM 197 C SER A 14 -9.460 -2.698 8.891 1.00 0.00 C ATOM 198 O SER A 14 -9.908 -1.793 9.568 1.00 0.00 O ATOM 199 CB SER A 14 -10.679 -4.666 7.939 1.00 0.00 C ATOM 200 OG SER A 14 -11.056 -5.278 6.714 1.00 0.00 O ATOM 0 H SER A 14 -9.370 -4.184 5.957 1.00 0.00 H new ATOM 0 HA SER A 14 -11.051 -2.561 7.488 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.880 -5.237 8.412 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.522 -4.664 8.630 1.00 0.00 H new ATOM 0 HG SER A 14 -11.352 -6.196 6.885 1.00 0.00 H new ATOM 206 N VAL A 15 -8.315 -3.252 9.176 1.00 0.00 N ATOM 207 CA VAL A 15 -7.535 -2.774 10.349 1.00 0.00 C ATOM 208 C VAL A 15 -7.210 -1.288 10.194 1.00 0.00 C ATOM 209 O VAL A 15 -7.400 -0.511 11.106 1.00 0.00 O ATOM 210 CB VAL A 15 -6.273 -3.627 10.354 1.00 0.00 C ATOM 211 CG1 VAL A 15 -5.287 -3.074 11.384 1.00 0.00 C ATOM 212 CG2 VAL A 15 -6.656 -5.062 10.725 1.00 0.00 C ATOM 0 H VAL A 15 -7.887 -4.013 8.649 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.082 -2.870 11.287 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.805 -3.610 9.370 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.384 -3.684 11.388 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.030 -2.047 11.126 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.744 -3.096 12.373 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.763 -5.686 10.733 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.115 -5.072 11.714 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.364 -5.451 9.993 1.00 0.00 H new ATOM 222 N LYS A 16 -6.745 -0.872 9.047 1.00 0.00 N ATOM 223 CA LYS A 16 -6.448 0.577 8.870 1.00 0.00 C ATOM 224 C LYS A 16 -7.730 1.369 9.113 1.00 0.00 C ATOM 225 O LYS A 16 -7.772 2.279 9.918 1.00 0.00 O ATOM 226 CB LYS A 16 -5.984 0.734 7.421 1.00 0.00 C ATOM 227 CG LYS A 16 -5.666 2.207 7.148 1.00 0.00 C ATOM 228 CD LYS A 16 -5.371 2.403 5.659 1.00 0.00 C ATOM 229 CE LYS A 16 -5.146 3.890 5.373 1.00 0.00 C ATOM 230 NZ LYS A 16 -6.417 4.358 4.750 1.00 0.00 N ATOM 0 H LYS A 16 -6.560 -1.463 8.236 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.688 0.940 9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.101 0.120 7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.759 0.385 6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.507 2.832 7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.808 2.520 7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.489 1.830 5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.202 2.029 5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.929 4.440 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.299 4.040 4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.341 5.370 4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.594 3.821 3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.204 4.209 5.413 1.00 0.00 H new ATOM 244 N LYS A 17 -8.789 1.008 8.440 1.00 0.00 N ATOM 245 CA LYS A 17 -10.085 1.710 8.647 1.00 0.00 C ATOM 246 C LYS A 17 -10.763 1.163 9.904 1.00 0.00 C ATOM 247 O LYS A 17 -11.922 1.424 10.161 1.00 0.00 O ATOM 248 CB LYS A 17 -10.922 1.383 7.410 1.00 0.00 C ATOM 249 CG LYS A 17 -10.218 1.901 6.156 1.00 0.00 C ATOM 250 CD LYS A 17 -11.069 1.572 4.929 1.00 0.00 C ATOM 251 CE LYS A 17 -10.339 2.017 3.661 1.00 0.00 C ATOM 252 NZ LYS A 17 -11.371 1.956 2.588 1.00 0.00 N ATOM 0 H LYS A 17 -8.811 0.254 7.753 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.961 2.785 8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.072 0.306 7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.909 1.837 7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.065 2.978 6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.233 1.444 6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.268 0.501 4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.035 2.073 4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.938 3.025 3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.497 1.361 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.949 2.247 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.729 0.983 2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.157 2.595 2.825 1.00 0.00 H new ATOM 266 N LEU A 18 -10.045 0.405 10.690 1.00 0.00 N ATOM 267 CA LEU A 18 -10.634 -0.165 11.931 1.00 0.00 C ATOM 268 C LEU A 18 -11.165 0.958 12.825 1.00 0.00 C ATOM 269 O LEU A 18 -12.192 0.825 13.460 1.00 0.00 O ATOM 270 CB LEU A 18 -9.467 -0.900 12.593 1.00 0.00 C ATOM 271 CG LEU A 18 -9.872 -1.409 13.976 1.00 0.00 C ATOM 272 CD1 LEU A 18 -11.007 -2.425 13.833 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.665 -2.083 14.637 1.00 0.00 C ATOM 0 H LEU A 18 -9.070 0.156 10.522 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.479 -0.827 11.741 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.155 -1.737 11.968 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.611 -0.231 12.681 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.209 -0.574 14.590 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.296 -2.788 14.819 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.864 -1.949 13.356 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.671 -3.263 13.222 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.948 -2.448 15.624 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.333 -2.919 14.022 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.854 -1.361 14.736 1.00 0.00 H new ATOM 285 N LYS A 19 -10.482 2.071 12.871 1.00 0.00 N ATOM 286 CA LYS A 19 -10.969 3.200 13.717 1.00 0.00 C ATOM 287 C LYS A 19 -12.350 3.642 13.228 1.00 0.00 C ATOM 288 O LYS A 19 -13.228 3.958 14.006 1.00 0.00 O ATOM 289 CB LYS A 19 -9.946 4.319 13.523 1.00 0.00 C ATOM 290 CG LYS A 19 -10.330 5.515 14.399 1.00 0.00 C ATOM 291 CD LYS A 19 -9.388 6.687 14.114 1.00 0.00 C ATOM 292 CE LYS A 19 -9.684 7.829 15.089 1.00 0.00 C ATOM 293 NZ LYS A 19 -8.791 7.577 16.256 1.00 0.00 N ATOM 0 H LYS A 19 -9.615 2.247 12.364 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.066 2.926 14.768 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.949 3.966 13.787 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.911 4.618 12.475 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.361 5.808 14.200 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.275 5.239 15.452 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.351 6.367 14.216 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.516 7.029 13.087 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.478 8.799 14.636 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.732 7.832 15.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.935 8.319 16.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.015 6.650 16.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.799 7.586 15.943 1.00 0.00 H new ATOM 307 N ASP A 20 -12.546 3.656 11.939 1.00 0.00 N ATOM 308 CA ASP A 20 -13.866 4.063 11.381 1.00 0.00 C ATOM 309 C ASP A 20 -14.207 3.183 10.174 1.00 0.00 C ATOM 310 O ASP A 20 -13.440 3.077 9.238 1.00 0.00 O ATOM 311 CB ASP A 20 -13.690 5.520 10.953 1.00 0.00 C ATOM 312 CG ASP A 20 -15.036 6.079 10.486 1.00 0.00 C ATOM 313 OD1 ASP A 20 -16.025 5.380 10.626 1.00 0.00 O ATOM 314 OD2 ASP A 20 -15.053 7.195 9.996 1.00 0.00 O ATOM 0 H ASP A 20 -11.844 3.401 11.244 1.00 0.00 H new ATOM 0 HA ASP A 20 -14.676 3.953 12.102 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.307 6.111 11.785 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.957 5.588 10.149 1.00 0.00 H new ATOM 319 N LEU A 21 -15.341 2.542 10.194 1.00 0.00 N ATOM 320 CA LEU A 21 -15.715 1.660 9.051 1.00 0.00 C ATOM 321 C LEU A 21 -15.543 2.399 7.721 1.00 0.00 C ATOM 322 O LEU A 21 -14.957 1.886 6.788 1.00 0.00 O ATOM 323 CB LEU A 21 -17.183 1.305 9.280 1.00 0.00 C ATOM 324 CG LEU A 21 -17.278 0.116 10.236 1.00 0.00 C ATOM 325 CD1 LEU A 21 -16.691 -1.129 9.567 1.00 0.00 C ATOM 326 CD2 LEU A 21 -16.492 0.428 11.511 1.00 0.00 C ATOM 0 H LEU A 21 -16.025 2.589 10.950 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.084 0.772 9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -17.715 2.162 9.694 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.661 1.061 8.331 1.00 0.00 H new ATOM 0 HG LEU A 21 -18.323 -0.067 10.486 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.760 -1.976 10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -17.249 -1.351 8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.646 -0.949 9.316 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.558 -0.418 12.195 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.447 0.611 11.259 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.910 1.314 11.989 1.00 0.00 H new ATOM 338 N GLN A 22 -16.050 3.597 7.623 1.00 0.00 N ATOM 339 CA GLN A 22 -15.914 4.356 6.347 1.00 0.00 C ATOM 340 C GLN A 22 -16.268 3.453 5.163 1.00 0.00 C ATOM 341 O GLN A 22 -15.481 3.267 4.257 1.00 0.00 O ATOM 342 CB GLN A 22 -14.443 4.767 6.286 1.00 0.00 C ATOM 343 CG GLN A 22 -14.110 5.661 7.482 1.00 0.00 C ATOM 344 CD GLN A 22 -12.620 6.007 7.458 1.00 0.00 C ATOM 345 OE1 GLN A 22 -11.849 5.374 6.765 1.00 0.00 O ATOM 346 NE2 GLN A 22 -12.181 6.992 8.192 1.00 0.00 N ATOM 0 H GLN A 22 -16.551 4.082 8.368 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.579 5.219 6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -13.807 3.882 6.293 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -14.241 5.297 5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.707 6.572 7.446 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -14.361 5.151 8.412 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.829 7.523 8.774 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.189 7.231 8.184 1.00 0.00 H new ATOM 355 N GLU A 23 -17.445 2.888 5.165 1.00 0.00 N ATOM 356 CA GLU A 23 -17.842 1.993 4.041 1.00 0.00 C ATOM 357 C GLU A 23 -16.671 1.084 3.656 1.00 0.00 C ATOM 358 O GLU A 23 -16.012 1.309 2.659 1.00 0.00 O ATOM 359 CB GLU A 23 -18.195 2.935 2.888 1.00 0.00 C ATOM 360 CG GLU A 23 -19.664 3.350 3.003 1.00 0.00 C ATOM 361 CD GLU A 23 -19.794 4.491 4.013 1.00 0.00 C ATOM 362 OE1 GLU A 23 -19.102 5.483 3.849 1.00 0.00 O ATOM 363 OE2 GLU A 23 -20.584 4.356 4.932 1.00 0.00 O ATOM 0 H GLU A 23 -18.147 3.007 5.895 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.677 1.343 4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.554 3.816 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.019 2.441 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -20.041 3.666 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -20.269 2.500 3.318 1.00 0.00 H new ATOM 370 N PRO A 24 -16.448 0.084 4.468 1.00 0.00 N ATOM 371 CA PRO A 24 -15.343 -0.873 4.223 1.00 0.00 C ATOM 372 C PRO A 24 -15.544 -1.603 2.893 1.00 0.00 C ATOM 373 O PRO A 24 -16.630 -2.043 2.572 1.00 0.00 O ATOM 374 CB PRO A 24 -15.467 -1.838 5.404 1.00 0.00 C ATOM 375 CG PRO A 24 -16.647 -1.390 6.289 1.00 0.00 C ATOM 376 CD PRO A 24 -17.285 -0.141 5.667 1.00 0.00 C ATOM 0 HA PRO A 24 -14.363 -0.400 4.153 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -15.629 -2.855 5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.543 -1.847 5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.383 -2.190 6.369 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.300 -1.173 7.299 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.330 -0.306 5.407 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.257 0.710 6.347 1.00 0.00 H new ATOM 384 N GLN A 25 -14.503 -1.737 2.118 1.00 0.00 N ATOM 385 CA GLN A 25 -14.631 -2.440 0.809 1.00 0.00 C ATOM 386 C GLN A 25 -13.318 -3.147 0.462 1.00 0.00 C ATOM 387 O GLN A 25 -12.300 -2.929 1.090 1.00 0.00 O ATOM 388 CB GLN A 25 -14.932 -1.338 -0.207 1.00 0.00 C ATOM 389 CG GLN A 25 -15.303 -1.971 -1.549 1.00 0.00 C ATOM 390 CD GLN A 25 -15.626 -0.869 -2.560 1.00 0.00 C ATOM 391 OE1 GLN A 25 -15.763 0.283 -2.198 1.00 0.00 O ATOM 392 NE2 GLN A 25 -15.755 -1.176 -3.821 1.00 0.00 N ATOM 0 H GLN A 25 -13.569 -1.390 2.334 1.00 0.00 H new ATOM 0 HA GLN A 25 -15.410 -3.202 0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -15.750 -0.712 0.151 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.063 -0.691 -0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.479 -2.584 -1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -16.162 -2.631 -1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.640 -2.143 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -15.971 -0.449 -4.503 1.00 0.00 H new ATOM 401 N GLU A 26 -13.331 -3.991 -0.533 1.00 0.00 N ATOM 402 CA GLU A 26 -12.082 -4.709 -0.917 1.00 0.00 C ATOM 403 C GLU A 26 -11.859 -4.611 -2.430 1.00 0.00 C ATOM 404 O GLU A 26 -11.841 -5.612 -3.120 1.00 0.00 O ATOM 405 CB GLU A 26 -12.318 -6.161 -0.502 1.00 0.00 C ATOM 406 CG GLU A 26 -11.583 -6.443 0.809 1.00 0.00 C ATOM 407 CD GLU A 26 -11.585 -7.949 1.082 1.00 0.00 C ATOM 408 OE1 GLU A 26 -11.571 -8.704 0.124 1.00 0.00 O ATOM 409 OE2 GLU A 26 -11.599 -8.321 2.244 1.00 0.00 O ATOM 0 H GLU A 26 -14.151 -4.215 -1.096 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.198 -4.287 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.385 -6.347 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.964 -6.835 -1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.559 -6.075 0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.066 -5.913 1.630 1.00 0.00 H new ATOM 416 N PRO A 27 -11.693 -3.402 -2.897 1.00 0.00 N ATOM 417 CA PRO A 27 -11.466 -3.160 -4.341 1.00 0.00 C ATOM 418 C PRO A 27 -10.175 -3.844 -4.801 1.00 0.00 C ATOM 419 O PRO A 27 -9.264 -4.058 -4.026 1.00 0.00 O ATOM 420 CB PRO A 27 -11.335 -1.636 -4.410 1.00 0.00 C ATOM 421 CG PRO A 27 -11.491 -1.059 -2.989 1.00 0.00 C ATOM 422 CD PRO A 27 -11.724 -2.216 -2.009 1.00 0.00 C ATOM 0 HA PRO A 27 -12.256 -3.553 -4.982 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.366 -1.359 -4.826 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.096 -1.221 -5.071 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.598 -0.501 -2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.327 -0.361 -2.955 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -10.949 -2.262 -1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.678 -2.122 -1.491 1.00 0.00 H new ATOM 430 N ARG A 28 -10.088 -4.185 -6.058 1.00 0.00 N ATOM 431 CA ARG A 28 -8.853 -4.851 -6.563 1.00 0.00 C ATOM 432 C ARG A 28 -7.950 -3.827 -7.258 1.00 0.00 C ATOM 433 O ARG A 28 -8.411 -2.981 -7.998 1.00 0.00 O ATOM 434 CB ARG A 28 -9.345 -5.899 -7.561 1.00 0.00 C ATOM 435 CG ARG A 28 -9.950 -5.201 -8.780 1.00 0.00 C ATOM 436 CD ARG A 28 -10.567 -6.246 -9.711 1.00 0.00 C ATOM 437 NE ARG A 28 -11.777 -6.733 -8.991 1.00 0.00 N ATOM 438 CZ ARG A 28 -12.701 -7.387 -9.639 1.00 0.00 C ATOM 439 NH1 ARG A 28 -12.367 -8.320 -10.489 1.00 0.00 N ATOM 440 NH2 ARG A 28 -13.960 -7.110 -9.436 1.00 0.00 N ATOM 0 H ARG A 28 -10.816 -4.032 -6.756 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.267 -5.300 -5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.518 -6.539 -7.869 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.089 -6.543 -7.091 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.710 -4.486 -8.463 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.181 -4.636 -9.308 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.829 -5.811 -10.675 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.870 -7.060 -9.908 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.883 -6.555 -7.992 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.383 -8.538 -10.647 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.090 -8.831 -10.995 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.221 -6.382 -8.771 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.683 -7.621 -9.943 1.00 0.00 H new ATOM 454 N VAL A 29 -6.669 -3.897 -7.023 1.00 0.00 N ATOM 455 CA VAL A 29 -5.739 -2.926 -7.668 1.00 0.00 C ATOM 456 C VAL A 29 -6.160 -1.491 -7.335 1.00 0.00 C ATOM 457 O VAL A 29 -7.168 -1.006 -7.808 1.00 0.00 O ATOM 458 CB VAL A 29 -5.870 -3.189 -9.168 1.00 0.00 C ATOM 459 CG1 VAL A 29 -5.183 -2.064 -9.946 1.00 0.00 C ATOM 460 CG2 VAL A 29 -5.206 -4.524 -9.511 1.00 0.00 C ATOM 0 H VAL A 29 -6.226 -4.584 -6.413 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.712 -3.044 -7.322 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.925 -3.227 -9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.276 -2.252 -11.016 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.655 -1.112 -9.702 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.128 -2.026 -9.675 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.299 -4.712 -10.581 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.151 -4.486 -9.240 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.694 -5.326 -8.958 1.00 0.00 H new ATOM 470 N GLY A 30 -5.396 -0.811 -6.525 1.00 0.00 N ATOM 471 CA GLY A 30 -5.757 0.589 -6.164 1.00 0.00 C ATOM 472 C GLY A 30 -4.598 1.239 -5.403 1.00 0.00 C ATOM 473 O GLY A 30 -3.505 0.711 -5.348 1.00 0.00 O ATOM 0 H GLY A 30 -4.539 -1.163 -6.098 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.980 1.161 -7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.658 0.596 -5.550 1.00 0.00 H new ATOM 477 N LYS A 31 -4.831 2.379 -4.813 1.00 0.00 N ATOM 478 CA LYS A 31 -3.745 3.065 -4.055 1.00 0.00 C ATOM 479 C LYS A 31 -3.331 2.222 -2.845 1.00 0.00 C ATOM 480 O LYS A 31 -4.126 1.495 -2.281 1.00 0.00 O ATOM 481 CB LYS A 31 -4.357 4.390 -3.601 1.00 0.00 C ATOM 482 CG LYS A 31 -3.295 5.226 -2.884 1.00 0.00 C ATOM 483 CD LYS A 31 -3.939 6.498 -2.328 1.00 0.00 C ATOM 484 CE LYS A 31 -2.856 7.398 -1.727 1.00 0.00 C ATOM 485 NZ LYS A 31 -3.572 8.243 -0.729 1.00 0.00 N ATOM 0 H LYS A 31 -5.727 2.866 -4.823 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.850 3.215 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.745 4.936 -4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.199 4.204 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.847 4.649 -2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.492 5.484 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.468 7.027 -3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.677 6.242 -1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.070 6.809 -1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.380 8.009 -2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.897 8.889 -0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.310 8.797 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.010 7.634 -0.009 1.00 0.00 H new ATOM 499 N LEU A 32 -2.093 2.312 -2.441 1.00 0.00 N ATOM 500 CA LEU A 32 -1.631 1.516 -1.268 1.00 0.00 C ATOM 501 C LEU A 32 -2.287 2.034 0.014 1.00 0.00 C ATOM 502 O LEU A 32 -2.702 3.173 0.095 1.00 0.00 O ATOM 503 CB LEU A 32 -0.116 1.726 -1.220 1.00 0.00 C ATOM 504 CG LEU A 32 0.494 1.339 -2.568 1.00 0.00 C ATOM 505 CD1 LEU A 32 2.016 1.482 -2.501 1.00 0.00 C ATOM 506 CD2 LEU A 32 0.132 -0.111 -2.895 1.00 0.00 C ATOM 0 H LEU A 32 -1.382 2.902 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.894 0.462 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.111 2.767 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.321 1.123 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 32 0.102 1.995 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.450 1.206 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.275 2.515 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.409 0.827 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.567 -0.387 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.523 -0.768 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.952 -0.213 -2.945 1.00 0.00 H new ATOM 518 N ARG A 33 -2.389 1.206 1.018 1.00 0.00 N ATOM 519 CA ARG A 33 -3.022 1.652 2.292 1.00 0.00 C ATOM 520 C ARG A 33 -1.950 2.026 3.318 1.00 0.00 C ATOM 521 O ARG A 33 -1.038 1.267 3.584 1.00 0.00 O ATOM 522 CB ARG A 33 -3.828 0.447 2.777 1.00 0.00 C ATOM 523 CG ARG A 33 -4.796 0.005 1.679 1.00 0.00 C ATOM 524 CD ARG A 33 -5.816 1.116 1.423 1.00 0.00 C ATOM 525 NE ARG A 33 -6.828 0.502 0.517 1.00 0.00 N ATOM 526 CZ ARG A 33 -6.448 -0.094 -0.579 1.00 0.00 C ATOM 527 NH1 ARG A 33 -6.594 0.502 -1.731 1.00 0.00 N ATOM 528 NH2 ARG A 33 -5.920 -1.287 -0.523 1.00 0.00 N ATOM 0 H ARG A 33 -2.061 0.240 1.011 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.647 2.534 2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.157 -0.372 3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.380 0.705 3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.248 -0.218 0.764 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.307 -0.911 1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.272 1.456 2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.347 1.985 0.961 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.819 0.548 0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.005 1.434 -1.774 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.297 0.035 -2.588 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.805 -1.752 0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.623 -1.754 -1.380 1.00 0.00 H new ATOM 542 N ASN A 34 -2.054 3.190 3.899 1.00 0.00 N ATOM 543 CA ASN A 34 -1.044 3.614 4.910 1.00 0.00 C ATOM 544 C ASN A 34 -1.744 4.265 6.108 1.00 0.00 C ATOM 545 O ASN A 34 -2.804 4.844 5.979 1.00 0.00 O ATOM 546 CB ASN A 34 -0.160 4.630 4.187 1.00 0.00 C ATOM 547 CG ASN A 34 -0.970 5.893 3.891 1.00 0.00 C ATOM 548 OD1 ASN A 34 -2.184 5.873 3.930 1.00 0.00 O ATOM 549 ND2 ASN A 34 -0.344 6.999 3.594 1.00 0.00 N ATOM 0 H ASN A 34 -2.796 3.866 3.717 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.465 2.775 5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.706 4.876 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.219 4.202 3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.874 7.847 3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.675 7.015 3.561 1.00 0.00 H new ATOM 556 N PHE A 35 -1.158 4.174 7.271 1.00 0.00 N ATOM 557 CA PHE A 35 -1.790 4.788 8.475 1.00 0.00 C ATOM 558 C PHE A 35 -0.725 5.467 9.342 1.00 0.00 C ATOM 559 O PHE A 35 0.447 5.156 9.260 1.00 0.00 O ATOM 560 CB PHE A 35 -2.436 3.621 9.225 1.00 0.00 C ATOM 561 CG PHE A 35 -3.170 4.145 10.436 1.00 0.00 C ATOM 562 CD1 PHE A 35 -4.484 4.612 10.311 1.00 0.00 C ATOM 563 CD2 PHE A 35 -2.536 4.162 11.684 1.00 0.00 C ATOM 564 CE1 PHE A 35 -5.164 5.096 11.437 1.00 0.00 C ATOM 565 CE2 PHE A 35 -3.215 4.647 12.808 1.00 0.00 C ATOM 566 CZ PHE A 35 -4.530 5.114 12.684 1.00 0.00 C ATOM 0 H PHE A 35 -0.270 3.702 7.440 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.520 5.554 8.214 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.127 3.091 8.569 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.673 2.905 9.531 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.973 4.599 9.348 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.523 3.801 11.780 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.178 5.455 11.342 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.725 4.661 13.770 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.054 5.488 13.551 1.00 0.00 H new ATOM 576 N ALA A 36 -1.122 6.397 10.166 1.00 0.00 N ATOM 577 CA ALA A 36 -0.133 7.102 11.033 1.00 0.00 C ATOM 578 C ALA A 36 0.592 6.103 11.945 1.00 0.00 C ATOM 579 O ALA A 36 -0.039 5.307 12.613 1.00 0.00 O ATOM 580 CB ALA A 36 -0.964 8.079 11.865 1.00 0.00 C ATOM 0 H ALA A 36 -2.089 6.700 10.277 1.00 0.00 H new ATOM 0 HA ALA A 36 0.635 7.609 10.449 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.308 8.639 12.532 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.484 8.771 11.202 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.694 7.525 12.455 1.00 0.00 H new ATOM 586 N PRO A 37 1.899 6.181 11.947 1.00 0.00 N ATOM 587 CA PRO A 37 2.721 5.278 12.787 1.00 0.00 C ATOM 588 C PRO A 37 2.452 5.532 14.272 1.00 0.00 C ATOM 589 O PRO A 37 3.327 5.943 15.009 1.00 0.00 O ATOM 590 CB PRO A 37 4.150 5.680 12.415 1.00 0.00 C ATOM 591 CG PRO A 37 4.091 6.811 11.370 1.00 0.00 C ATOM 592 CD PRO A 37 2.622 7.166 11.108 1.00 0.00 C ATOM 0 HA PRO A 37 2.514 4.220 12.623 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.691 6.012 13.301 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.691 4.823 12.014 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.632 7.686 11.730 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.574 6.496 10.445 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.394 8.191 11.399 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.363 7.069 10.054 1.00 0.00 H new ATOM 600 N ILE A 38 1.249 5.293 14.720 1.00 0.00 N ATOM 601 CA ILE A 38 0.932 5.528 16.159 1.00 0.00 C ATOM 602 C ILE A 38 0.319 4.269 16.781 1.00 0.00 C ATOM 603 O ILE A 38 -0.830 4.271 17.177 1.00 0.00 O ATOM 604 CB ILE A 38 -0.084 6.677 16.176 1.00 0.00 C ATOM 605 CG1 ILE A 38 -0.010 7.469 14.867 1.00 0.00 C ATOM 606 CG2 ILE A 38 0.223 7.610 17.350 1.00 0.00 C ATOM 607 CD1 ILE A 38 1.398 8.046 14.695 1.00 0.00 C ATOM 0 H ILE A 38 0.474 4.946 14.154 1.00 0.00 H new ATOM 0 HA ILE A 38 1.826 5.770 16.734 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.086 6.262 16.285 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.254 6.822 14.024 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.745 8.274 14.875 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.498 8.427 17.364 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.157 7.053 18.284 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.229 8.015 17.239 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.449 8.609 13.763 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.625 8.707 15.531 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.124 7.233 14.668 1.00 0.00 H new ATOM 619 N PRO A 39 1.110 3.230 16.849 1.00 0.00 N ATOM 620 CA PRO A 39 0.644 1.949 17.431 1.00 0.00 C ATOM 621 C PRO A 39 0.258 2.137 18.902 1.00 0.00 C ATOM 622 O PRO A 39 0.823 2.954 19.602 1.00 0.00 O ATOM 623 CB PRO A 39 1.876 1.050 17.298 1.00 0.00 C ATOM 624 CG PRO A 39 3.011 1.860 16.641 1.00 0.00 C ATOM 625 CD PRO A 39 2.503 3.279 16.350 1.00 0.00 C ATOM 0 HA PRO A 39 -0.240 1.541 16.941 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.188 0.689 18.278 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.640 0.173 16.696 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.878 1.898 17.300 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.333 1.378 15.718 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.093 4.035 16.868 1.00 0.00 H new ATOM 0 HD3 PRO A 39 2.545 3.515 15.287 1.00 0.00 H new ATOM 633 N GLY A 40 -0.698 1.387 19.376 1.00 0.00 N ATOM 634 CA GLY A 40 -1.115 1.526 20.798 1.00 0.00 C ATOM 635 C GLY A 40 -2.571 1.986 20.859 1.00 0.00 C ATOM 636 O GLY A 40 -2.941 2.809 21.671 1.00 0.00 O ATOM 0 H GLY A 40 -1.208 0.685 18.840 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.001 0.574 21.316 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.474 2.245 21.308 1.00 0.00 H new ATOM 640 N GLU A 41 -3.400 1.460 20.002 1.00 0.00 N ATOM 641 CA GLU A 41 -4.834 1.866 20.005 1.00 0.00 C ATOM 642 C GLU A 41 -5.738 0.630 20.014 1.00 0.00 C ATOM 643 O GLU A 41 -6.353 0.306 19.017 1.00 0.00 O ATOM 644 CB GLU A 41 -5.020 2.658 18.710 1.00 0.00 C ATOM 645 CG GLU A 41 -3.858 3.640 18.540 1.00 0.00 C ATOM 646 CD GLU A 41 -4.322 4.842 17.716 1.00 0.00 C ATOM 647 OE1 GLU A 41 -5.152 5.588 18.208 1.00 0.00 O ATOM 648 OE2 GLU A 41 -3.836 4.997 16.608 1.00 0.00 O ATOM 0 H GLU A 41 -3.147 0.766 19.299 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.095 2.453 20.886 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.063 1.979 17.859 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.966 3.199 18.735 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.501 3.970 19.516 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.021 3.147 18.045 1.00 0.00 H new ATOM 655 N PRO A 42 -5.790 -0.021 21.147 1.00 0.00 N ATOM 656 CA PRO A 42 -6.628 -1.233 21.296 1.00 0.00 C ATOM 657 C PRO A 42 -8.100 -0.891 21.044 1.00 0.00 C ATOM 658 O PRO A 42 -8.574 0.160 21.426 1.00 0.00 O ATOM 659 CB PRO A 42 -6.394 -1.626 22.756 1.00 0.00 C ATOM 660 CG PRO A 42 -5.420 -0.613 23.392 1.00 0.00 C ATOM 661 CD PRO A 42 -5.019 0.421 22.331 1.00 0.00 C ATOM 0 HA PRO A 42 -6.382 -2.031 20.595 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.338 -1.635 23.301 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.982 -2.634 22.815 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.891 -0.119 24.242 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.537 -1.126 23.772 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.283 1.435 22.632 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.945 0.414 22.142 1.00 0.00 H new ATOM 669 N VAL A 43 -8.826 -1.765 20.401 1.00 0.00 N ATOM 670 CA VAL A 43 -10.262 -1.472 20.128 1.00 0.00 C ATOM 671 C VAL A 43 -11.114 -2.731 20.308 1.00 0.00 C ATOM 672 O VAL A 43 -11.847 -3.125 19.423 1.00 0.00 O ATOM 673 CB VAL A 43 -10.300 -1.000 18.674 1.00 0.00 C ATOM 674 CG1 VAL A 43 -9.567 0.337 18.553 1.00 0.00 C ATOM 675 CG2 VAL A 43 -9.615 -2.038 17.782 1.00 0.00 C ATOM 0 H VAL A 43 -8.490 -2.664 20.055 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.664 -0.725 20.812 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.336 -0.877 18.359 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.594 0.674 17.517 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.053 1.077 19.188 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.531 0.214 18.868 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.642 -1.702 16.746 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.579 -2.161 18.097 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.136 -2.992 17.868 1.00 0.00 H new ATOM 685 N VAL A 44 -11.035 -3.359 21.449 1.00 0.00 N ATOM 686 CA VAL A 44 -11.857 -4.582 21.679 1.00 0.00 C ATOM 687 C VAL A 44 -12.512 -4.539 23.067 1.00 0.00 C ATOM 688 O VAL A 44 -12.463 -5.507 23.801 1.00 0.00 O ATOM 689 CB VAL A 44 -10.874 -5.752 21.588 1.00 0.00 C ATOM 690 CG1 VAL A 44 -10.129 -5.696 20.254 1.00 0.00 C ATOM 691 CG2 VAL A 44 -9.868 -5.672 22.736 1.00 0.00 C ATOM 0 H VAL A 44 -10.440 -3.080 22.229 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.664 -4.670 20.952 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.427 -6.689 21.656 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.430 -6.530 20.192 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.845 -5.761 19.435 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.580 -4.757 20.183 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.170 -6.507 22.667 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.318 -4.733 22.673 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.397 -5.719 23.688 1.00 0.00 H new ATOM 701 N PRO A 45 -13.115 -3.417 23.384 1.00 0.00 N ATOM 702 CA PRO A 45 -13.791 -3.259 24.694 1.00 0.00 C ATOM 703 C PRO A 45 -14.906 -4.297 24.847 1.00 0.00 C ATOM 704 O PRO A 45 -14.831 -5.385 24.311 1.00 0.00 O ATOM 705 CB PRO A 45 -14.371 -1.844 24.606 1.00 0.00 C ATOM 706 CG PRO A 45 -14.003 -1.243 23.237 1.00 0.00 C ATOM 707 CD PRO A 45 -13.155 -2.259 22.461 1.00 0.00 C ATOM 0 HA PRO A 45 -13.130 -3.400 25.549 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.454 -1.871 24.728 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.976 -1.223 25.410 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.906 -1.000 22.677 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.450 -0.313 23.370 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.608 -2.519 21.504 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.157 -1.876 22.248 1.00 0.00 H new ATOM 715 N ILE A 46 -15.942 -3.971 25.571 1.00 0.00 N ATOM 716 CA ILE A 46 -17.059 -4.940 25.750 1.00 0.00 C ATOM 717 C ILE A 46 -17.655 -5.309 24.389 1.00 0.00 C ATOM 718 O ILE A 46 -18.185 -4.473 23.683 1.00 0.00 O ATOM 719 CB ILE A 46 -18.088 -4.207 26.614 1.00 0.00 C ATOM 720 CG1 ILE A 46 -19.085 -5.218 27.185 1.00 0.00 C ATOM 721 CG2 ILE A 46 -18.836 -3.177 25.765 1.00 0.00 C ATOM 722 CD1 ILE A 46 -19.889 -4.561 28.310 1.00 0.00 C ATOM 0 H ILE A 46 -16.063 -3.076 26.046 1.00 0.00 H new ATOM 0 HA ILE A 46 -16.733 -5.870 26.216 1.00 0.00 H new ATOM 0 HB ILE A 46 -17.576 -3.697 27.430 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -19.756 -5.567 26.400 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.556 -6.092 27.564 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.568 -2.658 26.384 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -18.127 -2.456 25.359 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -19.348 -3.683 24.946 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -20.599 -5.280 28.717 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.211 -4.234 29.099 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -20.430 -3.700 27.916 1.00 0.00 H new ATOM 734 N LEU A 47 -17.571 -6.556 24.014 1.00 0.00 N ATOM 735 CA LEU A 47 -18.131 -6.981 22.698 1.00 0.00 C ATOM 736 C LEU A 47 -17.410 -6.262 21.554 1.00 0.00 C ATOM 737 O LEU A 47 -18.020 -5.843 20.590 1.00 0.00 O ATOM 738 CB LEU A 47 -19.605 -6.575 22.743 1.00 0.00 C ATOM 739 CG LEU A 47 -20.460 -7.802 23.067 1.00 0.00 C ATOM 740 CD1 LEU A 47 -20.255 -8.867 21.987 1.00 0.00 C ATOM 741 CD2 LEU A 47 -20.043 -8.367 24.427 1.00 0.00 C ATOM 0 H LEU A 47 -17.139 -7.300 24.562 1.00 0.00 H new ATOM 0 HA LEU A 47 -18.008 -8.050 22.526 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -19.758 -5.802 23.496 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -19.906 -6.151 21.785 1.00 0.00 H new ATOM 0 HG LEU A 47 -21.511 -7.515 23.098 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -20.864 -9.741 22.218 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -20.551 -8.464 21.018 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -19.204 -9.155 21.955 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -20.651 -9.241 24.660 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -18.992 -8.654 24.395 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -20.189 -7.609 25.196 1.00 0.00 H new ATOM 753 N CYS A 48 -16.115 -6.118 21.651 1.00 0.00 N ATOM 754 CA CYS A 48 -15.354 -5.430 20.567 1.00 0.00 C ATOM 755 C CYS A 48 -15.809 -3.976 20.428 1.00 0.00 C ATOM 756 O CYS A 48 -16.922 -3.627 20.767 1.00 0.00 O ATOM 757 CB CYS A 48 -15.672 -6.217 19.295 1.00 0.00 C ATOM 758 SG CYS A 48 -14.335 -7.391 18.964 1.00 0.00 S ATOM 0 H CYS A 48 -15.551 -6.447 22.434 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.284 -5.403 20.774 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.617 -6.748 19.409 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.789 -5.536 18.452 1.00 0.00 H new ATOM 763 N SER A 49 -14.951 -3.126 19.930 1.00 0.00 N ATOM 764 CA SER A 49 -15.328 -1.693 19.769 1.00 0.00 C ATOM 765 C SER A 49 -16.002 -1.473 18.416 1.00 0.00 C ATOM 766 O SER A 49 -17.125 -1.019 18.338 1.00 0.00 O ATOM 767 CB SER A 49 -14.008 -0.926 19.840 1.00 0.00 C ATOM 768 OG SER A 49 -14.032 -0.044 20.953 1.00 0.00 O ATOM 0 H SER A 49 -14.006 -3.363 19.628 1.00 0.00 H new ATOM 0 HA SER A 49 -16.033 -1.364 20.532 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.175 -1.623 19.932 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.852 -0.363 18.920 1.00 0.00 H new ATOM 0 HG SER A 49 -13.185 0.447 21.000 1.00 0.00 H new ATOM 774 N ASN A 50 -15.323 -1.792 17.351 1.00 0.00 N ATOM 775 CA ASN A 50 -15.916 -1.606 15.994 1.00 0.00 C ATOM 776 C ASN A 50 -16.890 -2.748 15.677 1.00 0.00 C ATOM 777 O ASN A 50 -16.474 -3.874 15.480 1.00 0.00 O ATOM 778 CB ASN A 50 -14.722 -1.651 15.042 1.00 0.00 C ATOM 779 CG ASN A 50 -14.113 -0.254 14.917 1.00 0.00 C ATOM 780 OD1 ASN A 50 -14.607 0.582 14.049 1.00 0.00 O flip ATOM 781 ND2 ASN A 50 -13.178 0.080 15.618 1.00 0.00 N flip ATOM 0 H ASN A 50 -14.378 -2.176 17.360 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.479 -0.676 15.912 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.975 -2.353 15.413 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.038 -2.010 14.063 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.791 -0.575 16.298 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.780 1.015 15.526 1.00 0.00 H new ATOM 788 N PRO A 51 -18.158 -2.424 15.636 1.00 0.00 N ATOM 789 CA PRO A 51 -19.195 -3.440 15.339 1.00 0.00 C ATOM 790 C PRO A 51 -18.984 -4.022 13.939 1.00 0.00 C ATOM 791 O PRO A 51 -19.594 -5.004 13.567 1.00 0.00 O ATOM 792 CB PRO A 51 -20.492 -2.630 15.406 1.00 0.00 C ATOM 793 CG PRO A 51 -20.144 -1.166 15.740 1.00 0.00 C ATOM 794 CD PRO A 51 -18.621 -1.036 15.874 1.00 0.00 C ATOM 0 HA PRO A 51 -19.185 -4.290 16.022 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -21.021 -2.685 14.455 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -21.157 -3.043 16.165 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.512 -0.503 14.957 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.631 -0.865 16.667 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.207 -0.340 15.144 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.330 -0.675 16.860 1.00 0.00 H new ATOM 802 N ASN A 52 -18.131 -3.418 13.160 1.00 0.00 N ATOM 803 CA ASN A 52 -17.892 -3.932 11.783 1.00 0.00 C ATOM 804 C ASN A 52 -16.391 -4.077 11.511 1.00 0.00 C ATOM 805 O ASN A 52 -15.934 -3.894 10.400 1.00 0.00 O ATOM 806 CB ASN A 52 -18.506 -2.880 10.859 1.00 0.00 C ATOM 807 CG ASN A 52 -20.032 -2.956 10.945 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.580 -3.954 11.370 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.746 -1.934 10.557 1.00 0.00 N ATOM 0 H ASN A 52 -17.590 -2.592 13.417 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.331 -4.918 11.633 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.164 -1.885 11.144 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.180 -3.047 9.832 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.764 -1.973 10.611 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.286 -1.096 10.200 1.00 0.00 H new ATOM 816 N PHE A 53 -15.621 -4.426 12.507 1.00 0.00 N ATOM 817 CA PHE A 53 -14.156 -4.601 12.278 1.00 0.00 C ATOM 818 C PHE A 53 -13.919 -5.970 11.650 1.00 0.00 C ATOM 819 O PHE A 53 -14.843 -6.750 11.528 1.00 0.00 O ATOM 820 CB PHE A 53 -13.497 -4.503 13.663 1.00 0.00 C ATOM 821 CG PHE A 53 -13.546 -5.843 14.373 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.742 -6.567 14.431 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.390 -6.354 14.984 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.785 -7.799 15.095 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.434 -7.589 15.649 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.631 -8.309 15.704 1.00 0.00 C ATOM 0 H PHE A 53 -15.939 -4.596 13.461 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.741 -3.851 11.605 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.462 -4.179 13.557 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.007 -3.749 14.262 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.633 -6.175 13.963 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.466 -5.796 14.942 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.709 -8.357 15.138 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.544 -7.983 16.118 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.666 -9.259 16.216 1.00 0.00 H new ATOM 836 N PRO A 54 -12.697 -6.234 11.278 1.00 0.00 N ATOM 837 CA PRO A 54 -12.372 -7.539 10.674 1.00 0.00 C ATOM 838 C PRO A 54 -12.792 -8.648 11.637 1.00 0.00 C ATOM 839 O PRO A 54 -11.985 -9.226 12.334 1.00 0.00 O ATOM 840 CB PRO A 54 -10.853 -7.460 10.498 1.00 0.00 C ATOM 841 CG PRO A 54 -10.371 -6.081 10.998 1.00 0.00 C ATOM 842 CD PRO A 54 -11.591 -5.265 11.446 1.00 0.00 C ATOM 0 HA PRO A 54 -12.877 -7.754 9.732 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.365 -8.257 11.058 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.586 -7.597 9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.673 -6.202 11.826 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.837 -5.557 10.205 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.498 -4.929 12.479 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.733 -4.375 10.832 1.00 0.00 H new ATOM 850 N GLU A 55 -14.070 -8.912 11.697 1.00 0.00 N ATOM 851 CA GLU A 55 -14.587 -9.945 12.635 1.00 0.00 C ATOM 852 C GLU A 55 -13.637 -11.139 12.687 1.00 0.00 C ATOM 853 O GLU A 55 -13.552 -11.828 13.684 1.00 0.00 O ATOM 854 CB GLU A 55 -15.946 -10.340 12.067 1.00 0.00 C ATOM 855 CG GLU A 55 -16.619 -11.342 13.005 1.00 0.00 C ATOM 856 CD GLU A 55 -17.945 -11.798 12.395 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.242 -11.375 11.290 1.00 0.00 O ATOM 858 OE2 GLU A 55 -18.642 -12.562 13.044 1.00 0.00 O ATOM 0 H GLU A 55 -14.782 -8.451 11.131 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.670 -9.579 13.658 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.574 -9.457 11.950 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.825 -10.778 11.076 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.967 -12.200 13.167 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.792 -10.885 13.979 1.00 0.00 H new ATOM 865 N GLU A 56 -12.890 -11.374 11.644 1.00 0.00 N ATOM 866 CA GLU A 56 -11.927 -12.505 11.685 1.00 0.00 C ATOM 867 C GLU A 56 -11.058 -12.347 12.935 1.00 0.00 C ATOM 868 O GLU A 56 -10.468 -13.288 13.427 1.00 0.00 O ATOM 869 CB GLU A 56 -11.087 -12.367 10.416 1.00 0.00 C ATOM 870 CG GLU A 56 -10.248 -13.632 10.221 1.00 0.00 C ATOM 871 CD GLU A 56 -11.157 -14.787 9.794 1.00 0.00 C ATOM 872 OE1 GLU A 56 -12.207 -14.513 9.237 1.00 0.00 O ATOM 873 OE2 GLU A 56 -10.786 -15.925 10.031 1.00 0.00 O ATOM 0 H GLU A 56 -12.905 -10.838 10.776 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.408 -13.482 11.727 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.735 -12.210 9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.438 -11.495 10.490 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.482 -13.460 9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.732 -13.885 11.147 1.00 0.00 H new ATOM 880 N LEU A 57 -10.995 -11.147 13.458 1.00 0.00 N ATOM 881 CA LEU A 57 -10.190 -10.895 14.686 1.00 0.00 C ATOM 882 C LEU A 57 -11.020 -11.238 15.925 1.00 0.00 C ATOM 883 O LEU A 57 -10.629 -10.961 17.042 1.00 0.00 O ATOM 884 CB LEU A 57 -9.885 -9.397 14.666 1.00 0.00 C ATOM 885 CG LEU A 57 -9.115 -9.034 13.398 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.799 -7.538 13.412 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.811 -9.824 13.347 1.00 0.00 C ATOM 0 H LEU A 57 -11.472 -10.328 13.081 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.282 -11.498 14.714 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.814 -8.828 14.712 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.301 -9.125 15.545 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.719 -9.276 12.524 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.249 -7.274 12.509 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.729 -6.970 13.450 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.194 -7.302 14.287 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.263 -9.564 12.441 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.205 -9.582 14.220 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.032 -10.891 13.343 1.00 0.00 H new ATOM 899 N LYS A 58 -12.169 -11.831 15.734 1.00 0.00 N ATOM 900 CA LYS A 58 -13.031 -12.184 16.897 1.00 0.00 C ATOM 901 C LYS A 58 -12.183 -12.698 18.064 1.00 0.00 C ATOM 902 O LYS A 58 -12.312 -12.220 19.173 1.00 0.00 O ATOM 903 CB LYS A 58 -13.959 -13.285 16.384 1.00 0.00 C ATOM 904 CG LYS A 58 -15.412 -12.900 16.667 1.00 0.00 C ATOM 905 CD LYS A 58 -16.205 -14.149 17.060 1.00 0.00 C ATOM 906 CE LYS A 58 -17.364 -13.751 17.975 1.00 0.00 C ATOM 907 NZ LYS A 58 -16.943 -14.183 19.337 1.00 0.00 N ATOM 0 H LYS A 58 -12.547 -12.086 14.821 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.584 -11.322 17.270 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.812 -13.430 15.314 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.721 -14.231 16.870 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.454 -12.163 17.469 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.855 -12.438 15.785 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.586 -14.646 16.168 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.554 -14.861 17.568 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.544 -12.677 17.939 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.291 -14.240 17.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.688 -13.944 20.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.785 -15.211 19.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.062 -13.696 19.599 1.00 0.00 H new ATOM 921 N PRO A 59 -11.339 -13.657 17.782 1.00 0.00 N ATOM 922 CA PRO A 59 -10.470 -14.227 18.833 1.00 0.00 C ATOM 923 C PRO A 59 -9.626 -13.131 19.493 1.00 0.00 C ATOM 924 O PRO A 59 -9.489 -13.092 20.699 1.00 0.00 O ATOM 925 CB PRO A 59 -9.602 -15.219 18.055 1.00 0.00 C ATOM 926 CG PRO A 59 -10.024 -15.187 16.572 1.00 0.00 C ATOM 927 CD PRO A 59 -11.204 -14.218 16.417 1.00 0.00 C ATOM 0 HA PRO A 59 -11.019 -14.696 19.650 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.548 -14.958 18.154 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.721 -16.224 18.460 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.189 -14.868 15.948 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.308 -16.185 16.238 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.999 -13.443 15.678 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.111 -14.731 16.097 1.00 0.00 H new ATOM 935 N LEU A 60 -9.050 -12.243 18.724 1.00 0.00 N ATOM 936 CA LEU A 60 -8.215 -11.172 19.335 1.00 0.00 C ATOM 937 C LEU A 60 -9.054 -10.315 20.286 1.00 0.00 C ATOM 938 O LEU A 60 -8.606 -9.929 21.346 1.00 0.00 O ATOM 939 CB LEU A 60 -7.716 -10.335 18.154 1.00 0.00 C ATOM 940 CG LEU A 60 -6.839 -11.190 17.229 1.00 0.00 C ATOM 941 CD1 LEU A 60 -5.677 -10.342 16.705 1.00 0.00 C ATOM 942 CD2 LEU A 60 -6.281 -12.394 17.993 1.00 0.00 C ATOM 0 H LEU A 60 -9.122 -12.215 17.707 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.393 -11.579 19.923 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.564 -9.937 17.597 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.146 -9.481 18.520 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.445 -11.546 16.396 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.052 -10.947 16.048 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.070 -9.490 16.150 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.080 -9.984 17.544 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.661 -12.993 17.326 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.679 -12.045 18.832 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.105 -13.002 18.365 1.00 0.00 H new ATOM 954 N CYS A 61 -10.269 -10.014 19.920 1.00 0.00 N ATOM 955 CA CYS A 61 -11.131 -9.179 20.803 1.00 0.00 C ATOM 956 C CYS A 61 -11.448 -9.918 22.105 1.00 0.00 C ATOM 957 O CYS A 61 -11.684 -9.311 23.131 1.00 0.00 O ATOM 958 CB CYS A 61 -12.404 -8.950 19.990 1.00 0.00 C ATOM 959 SG CYS A 61 -13.497 -7.817 20.880 1.00 0.00 S ATOM 0 H CYS A 61 -10.703 -10.311 19.046 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.648 -8.245 21.089 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.154 -8.537 19.013 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.911 -9.899 19.815 1.00 0.00 H new ATOM 964 N LYS A 62 -11.468 -11.222 22.074 1.00 0.00 N ATOM 965 CA LYS A 62 -11.782 -11.989 23.313 1.00 0.00 C ATOM 966 C LYS A 62 -10.501 -12.312 24.087 1.00 0.00 C ATOM 967 O LYS A 62 -10.523 -13.033 25.064 1.00 0.00 O ATOM 968 CB LYS A 62 -12.452 -13.274 22.827 1.00 0.00 C ATOM 969 CG LYS A 62 -12.978 -14.063 24.029 1.00 0.00 C ATOM 970 CD LYS A 62 -13.542 -15.403 23.552 1.00 0.00 C ATOM 971 CE LYS A 62 -14.153 -16.150 24.740 1.00 0.00 C ATOM 972 NZ LYS A 62 -13.149 -16.014 25.834 1.00 0.00 N ATOM 0 H LYS A 62 -11.281 -11.789 21.247 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.423 -11.424 23.990 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.271 -13.035 22.149 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.739 -13.878 22.266 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.176 -14.229 24.748 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.752 -13.492 24.542 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.298 -15.239 22.784 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.752 -16.002 23.099 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.112 -15.719 25.027 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.334 -17.197 24.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.311 -16.753 26.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.192 -16.116 25.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.243 -15.078 26.277 1.00 0.00 H new ATOM 986 N GLU A 63 -9.383 -11.787 23.665 1.00 0.00 N ATOM 987 CA GLU A 63 -8.114 -12.076 24.390 1.00 0.00 C ATOM 988 C GLU A 63 -7.354 -10.775 24.677 1.00 0.00 C ATOM 989 O GLU A 63 -7.377 -9.857 23.882 1.00 0.00 O ATOM 990 CB GLU A 63 -7.310 -12.974 23.449 1.00 0.00 C ATOM 991 CG GLU A 63 -6.990 -12.209 22.163 1.00 0.00 C ATOM 992 CD GLU A 63 -6.264 -13.138 21.187 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.891 -14.069 20.709 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.095 -12.901 20.933 1.00 0.00 O ATOM 0 H GLU A 63 -9.294 -11.174 22.855 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.292 -12.555 25.353 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.387 -13.293 23.934 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.877 -13.876 23.217 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.909 -11.835 21.711 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.369 -11.342 22.387 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.705 -10.741 25.813 1.00 0.00 N ATOM 1002 CA PRO A 64 -5.929 -9.545 26.222 1.00 0.00 C ATOM 1003 C PRO A 64 -4.792 -9.270 25.233 1.00 0.00 C ATOM 1004 O PRO A 64 -4.123 -8.258 25.308 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.379 -9.953 27.592 1.00 0.00 C ATOM 1006 CG PRO A 64 -5.865 -11.379 27.917 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.713 -11.893 26.746 1.00 0.00 C ATOM 0 HA PRO A 64 -6.521 -8.630 26.250 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.290 -9.917 27.587 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.717 -9.255 28.358 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.014 -12.039 28.084 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.452 -11.377 28.835 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.281 -12.785 26.293 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.724 -12.153 27.061 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.558 -10.167 24.314 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.454 -9.957 23.335 1.00 0.00 C ATOM 1017 C ASN A 65 -3.900 -8.991 22.235 1.00 0.00 C ATOM 1018 O ASN A 65 -3.090 -8.342 21.604 1.00 0.00 O ATOM 1019 CB ASN A 65 -3.172 -11.343 22.755 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.664 -12.266 23.865 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.249 -11.807 24.910 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -2.681 -13.559 23.681 1.00 0.00 N ATOM 0 H ASN A 65 -5.082 -11.034 24.199 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.568 -9.522 23.796 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.078 -11.755 22.311 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.431 -11.272 21.959 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.346 -14.183 24.415 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.030 -13.945 22.803 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.178 -8.879 22.005 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.660 -7.942 20.952 1.00 0.00 C ATOM 1031 C ALA A 66 -5.042 -6.560 21.170 1.00 0.00 C ATOM 1032 O ALA A 66 -4.715 -5.859 20.234 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.176 -7.880 21.133 1.00 0.00 C ATOM 0 H ALA A 66 -5.908 -9.393 22.498 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.386 -8.269 19.949 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.604 -7.207 20.390 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.599 -8.877 21.006 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.408 -7.512 22.132 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.875 -6.167 22.404 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.272 -4.833 22.685 1.00 0.00 C ATOM 1041 C GLN A 67 -2.851 -4.779 22.122 1.00 0.00 C ATOM 1042 O GLN A 67 -2.454 -3.809 21.506 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.254 -4.720 24.209 1.00 0.00 C ATOM 1044 CG GLN A 67 -5.691 -4.735 24.736 1.00 0.00 C ATOM 1045 CD GLN A 67 -5.674 -4.694 26.265 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -4.652 -4.930 26.879 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -6.770 -4.404 26.909 1.00 0.00 N ATOM 0 H GLN A 67 -5.130 -6.711 23.228 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.830 -4.016 22.227 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.688 -5.546 24.639 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.754 -3.800 24.511 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.242 -3.880 24.345 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.207 -5.631 24.391 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.627 -4.206 26.393 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.770 -4.375 27.929 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.087 -5.820 22.314 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.699 -5.837 21.773 1.00 0.00 C ATOM 1058 C GLU A 68 -0.732 -6.194 20.285 1.00 0.00 C ATOM 1059 O GLU A 68 -0.026 -5.621 19.480 1.00 0.00 O ATOM 1060 CB GLU A 68 0.028 -6.918 22.571 1.00 0.00 C ATOM 1061 CG GLU A 68 1.509 -6.923 22.185 1.00 0.00 C ATOM 1062 CD GLU A 68 2.217 -8.084 22.887 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.547 -8.824 23.586 1.00 0.00 O ATOM 1064 OE2 GLU A 68 3.417 -8.212 22.711 1.00 0.00 O ATOM 0 H GLU A 68 -2.365 -6.660 22.822 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.203 -4.871 21.863 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.080 -6.732 23.640 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.415 -7.894 22.371 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.613 -7.020 21.104 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.972 -5.977 22.467 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.557 -7.137 19.917 1.00 0.00 N ATOM 1072 CA ILE A 69 -1.647 -7.529 18.482 1.00 0.00 C ATOM 1073 C ILE A 69 -2.173 -6.356 17.655 1.00 0.00 C ATOM 1074 O ILE A 69 -1.643 -6.029 16.612 1.00 0.00 O ATOM 1075 CB ILE A 69 -2.640 -8.690 18.443 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.112 -9.848 19.291 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -2.819 -9.155 16.995 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.173 -10.948 19.368 1.00 0.00 C ATOM 0 H ILE A 69 -2.172 -7.652 20.548 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.678 -7.810 18.070 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.599 -8.361 18.842 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.194 -10.243 18.856 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.864 -9.496 20.292 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.527 -9.983 16.964 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.199 -8.330 16.392 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.859 -9.483 16.597 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.798 -11.774 19.972 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.079 -10.548 19.823 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.399 -11.307 18.364 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.213 -5.716 18.118 1.00 0.00 N ATOM 1091 CA LEU A 70 -3.774 -4.561 17.363 1.00 0.00 C ATOM 1092 C LEU A 70 -2.654 -3.590 16.987 1.00 0.00 C ATOM 1093 O LEU A 70 -2.480 -3.246 15.835 1.00 0.00 O ATOM 1094 CB LEU A 70 -4.760 -3.894 18.324 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.299 -2.607 17.694 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.269 -1.487 17.859 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.568 -2.837 16.205 1.00 0.00 C ATOM 0 H LEU A 70 -3.698 -5.944 18.986 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.258 -4.869 16.436 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.582 -4.574 18.547 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.267 -3.669 19.270 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.227 -2.324 18.190 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.653 -0.571 17.410 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.080 -1.320 18.919 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.340 -1.771 17.365 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.952 -1.920 15.759 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.641 -3.123 15.708 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.303 -3.633 16.087 1.00 0.00 H new ATOM 1109 N GLN A 71 -1.887 -3.151 17.948 1.00 0.00 N ATOM 1110 CA GLN A 71 -0.775 -2.207 17.638 1.00 0.00 C ATOM 1111 C GLN A 71 -0.006 -2.694 16.410 1.00 0.00 C ATOM 1112 O GLN A 71 0.168 -1.974 15.447 1.00 0.00 O ATOM 1113 CB GLN A 71 0.124 -2.233 18.874 1.00 0.00 C ATOM 1114 CG GLN A 71 -0.655 -1.727 20.091 1.00 0.00 C ATOM 1115 CD GLN A 71 0.244 -1.787 21.327 1.00 0.00 C ATOM 1116 OE1 GLN A 71 1.349 -2.288 21.265 1.00 0.00 O ATOM 1117 NE2 GLN A 71 -0.185 -1.292 22.456 1.00 0.00 N ATOM 0 H GLN A 71 -1.982 -3.404 18.932 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.134 -1.202 17.417 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.481 -3.247 19.055 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.003 -1.611 18.709 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.992 -0.704 19.922 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.546 -2.335 20.245 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.113 -0.871 22.509 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.407 -1.326 23.286 1.00 0.00 H new ATOM 1126 N ARG A 72 0.452 -3.917 16.433 1.00 0.00 N ATOM 1127 CA ARG A 72 1.204 -4.452 15.263 1.00 0.00 C ATOM 1128 C ARG A 72 0.332 -4.365 14.009 1.00 0.00 C ATOM 1129 O ARG A 72 0.719 -3.790 13.011 1.00 0.00 O ATOM 1130 CB ARG A 72 1.507 -5.909 15.614 1.00 0.00 C ATOM 1131 CG ARG A 72 2.433 -5.956 16.831 1.00 0.00 C ATOM 1132 CD ARG A 72 2.851 -7.404 17.100 1.00 0.00 C ATOM 1133 NE ARG A 72 3.601 -7.353 18.386 1.00 0.00 N ATOM 1134 CZ ARG A 72 4.854 -6.987 18.396 1.00 0.00 C ATOM 1135 NH1 ARG A 72 5.187 -5.807 18.843 1.00 0.00 N ATOM 1136 NH2 ARG A 72 5.775 -7.802 17.957 1.00 0.00 N ATOM 0 H ARG A 72 0.338 -4.567 17.210 1.00 0.00 H new ATOM 0 HA ARG A 72 2.117 -3.893 15.060 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.581 -6.444 15.827 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.976 -6.409 14.767 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.314 -5.339 16.655 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.925 -5.545 17.704 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.983 -8.059 17.175 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.474 -7.792 16.294 1.00 0.00 H new ATOM 0 HE ARG A 72 3.136 -7.604 19.258 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.468 -5.170 19.185 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.166 -5.522 18.850 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.515 -8.724 17.607 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.754 -7.517 17.965 1.00 0.00 H new ATOM 1150 N LEU A 73 -0.846 -4.925 14.056 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.745 -4.864 12.868 1.00 0.00 C ATOM 1152 C LEU A 73 -1.748 -3.446 12.296 1.00 0.00 C ATOM 1153 O LEU A 73 -1.458 -3.233 11.136 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.129 -5.228 13.401 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.108 -6.656 13.947 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.532 -7.083 14.310 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.547 -7.600 12.884 1.00 0.00 C ATOM 0 H LEU A 73 -1.224 -5.421 14.863 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.429 -5.535 12.069 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.422 -4.532 14.187 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.870 -5.142 12.606 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.479 -6.697 14.836 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.518 -8.101 14.699 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.932 -6.410 15.068 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.162 -7.043 13.421 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.532 -8.618 13.273 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.176 -7.561 11.994 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.533 -7.295 12.625 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.075 -2.473 13.103 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.093 -1.069 12.606 1.00 0.00 C ATOM 1171 C GLU A 74 -0.771 -0.740 11.906 1.00 0.00 C ATOM 1172 O GLU A 74 -0.747 -0.293 10.776 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.261 -0.206 13.857 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.542 -0.605 14.592 1.00 0.00 C ATOM 1175 CD GLU A 74 -3.906 0.481 15.608 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -3.031 1.257 15.954 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.053 0.517 16.021 1.00 0.00 O ATOM 0 H GLU A 74 -2.330 -2.590 14.084 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.890 -0.899 11.882 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.400 -0.330 14.514 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.302 0.848 13.581 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.356 -0.739 13.880 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.401 -1.560 15.099 1.00 0.00 H new ATOM 1184 N GLU A 75 0.331 -0.957 12.575 1.00 0.00 N ATOM 1185 CA GLU A 75 1.655 -0.653 11.960 1.00 0.00 C ATOM 1186 C GLU A 75 1.810 -1.381 10.622 1.00 0.00 C ATOM 1187 O GLU A 75 2.086 -0.774 9.605 1.00 0.00 O ATOM 1188 CB GLU A 75 2.680 -1.166 12.971 1.00 0.00 C ATOM 1189 CG GLU A 75 4.089 -0.804 12.500 1.00 0.00 C ATOM 1190 CD GLU A 75 5.119 -1.443 13.434 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.709 -2.153 14.338 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.298 -1.211 13.230 1.00 0.00 O ATOM 0 H GLU A 75 0.370 -1.332 13.523 1.00 0.00 H new ATOM 0 HA GLU A 75 1.776 0.410 11.751 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.490 -0.729 13.951 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.589 -2.247 13.081 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.243 -1.152 11.479 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.214 0.279 12.490 1.00 0.00 H new ATOM 1199 N ILE A 76 1.637 -2.674 10.608 1.00 0.00 N ATOM 1200 CA ILE A 76 1.777 -3.424 9.326 1.00 0.00 C ATOM 1201 C ILE A 76 0.781 -2.884 8.298 1.00 0.00 C ATOM 1202 O ILE A 76 1.081 -2.775 7.126 1.00 0.00 O ATOM 1203 CB ILE A 76 1.460 -4.877 9.676 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.430 -5.363 10.758 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.616 -5.747 8.426 1.00 0.00 C ATOM 1206 CD1 ILE A 76 3.861 -4.994 10.360 1.00 0.00 C ATOM 0 H ILE A 76 1.406 -3.242 11.423 1.00 0.00 H new ATOM 0 HA ILE A 76 2.772 -3.324 8.891 1.00 0.00 H new ATOM 0 HB ILE A 76 0.437 -4.948 10.045 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.179 -4.910 11.717 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.342 -6.442 10.883 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.390 -6.784 8.674 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.929 -5.401 7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.640 -5.676 8.059 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.553 -5.339 11.128 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.108 -5.468 9.410 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.943 -3.912 10.258 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.396 -2.532 8.733 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.403 -1.986 7.782 1.00 0.00 C ATOM 1220 C ALA A 77 -0.828 -0.756 7.076 1.00 0.00 C ATOM 1221 O ALA A 77 -1.123 -0.488 5.928 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.602 -1.601 8.649 1.00 0.00 C ATOM 0 H ALA A 77 -0.704 -2.598 9.703 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.681 -2.702 7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.390 -1.189 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.976 -2.485 9.166 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.296 -0.854 9.382 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.006 -0.005 7.759 1.00 0.00 N ATOM 1229 CA GLU A 78 0.593 1.208 7.133 1.00 0.00 C ATOM 1230 C GLU A 78 1.414 0.825 5.898 1.00 0.00 C ATOM 1231 O GLU A 78 1.367 1.487 4.881 1.00 0.00 O ATOM 1232 CB GLU A 78 1.500 1.804 8.212 1.00 0.00 C ATOM 1233 CG GLU A 78 0.645 2.304 9.376 1.00 0.00 C ATOM 1234 CD GLU A 78 1.552 2.831 10.489 1.00 0.00 C ATOM 1235 OE1 GLU A 78 2.758 2.691 10.360 1.00 0.00 O ATOM 1236 OE2 GLU A 78 1.026 3.366 11.451 1.00 0.00 O ATOM 0 H GLU A 78 0.276 -0.180 8.723 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.168 1.914 6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.208 1.053 8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.085 2.625 7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.026 3.093 9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.020 1.496 9.755 1.00 0.00 H new ATOM 1243 N ASP A 79 2.170 -0.237 5.980 1.00 0.00 N ATOM 1244 CA ASP A 79 2.996 -0.657 4.811 1.00 0.00 C ATOM 1245 C ASP A 79 3.135 -2.180 4.780 1.00 0.00 C ATOM 1246 O ASP A 79 2.951 -2.840 5.783 1.00 0.00 O ATOM 1247 CB ASP A 79 4.368 0.000 5.015 1.00 0.00 C ATOM 1248 CG ASP A 79 4.408 0.733 6.359 1.00 0.00 C ATOM 1249 OD1 ASP A 79 4.279 0.073 7.376 1.00 0.00 O ATOM 1250 OD2 ASP A 79 4.565 1.944 6.348 1.00 0.00 O ATOM 0 H ASP A 79 2.251 -0.831 6.805 1.00 0.00 H new ATOM 0 HA ASP A 79 2.542 -0.356 3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.151 -0.758 4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.568 0.700 4.204 1.00 0.00 H new ATOM 1255 N PRO A 80 3.461 -2.690 3.622 1.00 0.00 N ATOM 1256 CA PRO A 80 3.632 -4.152 3.449 1.00 0.00 C ATOM 1257 C PRO A 80 4.733 -4.680 4.373 1.00 0.00 C ATOM 1258 O PRO A 80 4.508 -5.560 5.179 1.00 0.00 O ATOM 1259 CB PRO A 80 4.039 -4.269 1.979 1.00 0.00 C ATOM 1260 CG PRO A 80 4.087 -2.856 1.363 1.00 0.00 C ATOM 1261 CD PRO A 80 3.678 -1.836 2.433 1.00 0.00 C ATOM 0 HA PRO A 80 2.742 -4.731 3.695 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.013 -4.751 1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.327 -4.892 1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.090 -2.638 0.997 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.415 -2.795 0.507 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.457 -1.093 2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.775 -1.293 2.153 1.00 0.00 H new ATOM 1269 N GLY A 81 5.921 -4.152 4.265 1.00 0.00 N ATOM 1270 CA GLY A 81 7.030 -4.630 5.137 1.00 0.00 C ATOM 1271 C GLY A 81 7.530 -5.981 4.625 1.00 0.00 C ATOM 1272 O GLY A 81 7.624 -6.208 3.435 1.00 0.00 O ATOM 0 H GLY A 81 6.171 -3.411 3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.844 -3.905 5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.684 -4.724 6.166 1.00 0.00 H new ATOM 1276 N THR A 82 7.849 -6.881 5.514 1.00 0.00 N ATOM 1277 CA THR A 82 8.340 -8.219 5.076 1.00 0.00 C ATOM 1278 C THR A 82 7.161 -9.086 4.626 1.00 0.00 C ATOM 1279 O THR A 82 7.320 -10.035 3.885 1.00 0.00 O ATOM 1280 CB THR A 82 9.008 -8.819 6.313 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.043 -8.959 7.348 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.133 -7.898 6.786 1.00 0.00 C ATOM 0 H THR A 82 7.791 -6.748 6.524 1.00 0.00 H new ATOM 0 HA THR A 82 9.029 -8.155 4.234 1.00 0.00 H new ATOM 0 HB THR A 82 9.422 -9.796 6.065 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.494 -9.192 8.186 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.608 -8.327 7.668 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.872 -7.789 5.992 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.722 -6.920 7.035 1.00 0.00 H new ATOM 1290 N CYS A 83 5.978 -8.764 5.068 1.00 0.00 N ATOM 1291 CA CYS A 83 4.792 -9.569 4.664 1.00 0.00 C ATOM 1292 C CYS A 83 4.711 -9.651 3.138 1.00 0.00 C ATOM 1293 O CYS A 83 4.634 -10.721 2.566 1.00 0.00 O ATOM 1294 CB CYS A 83 3.590 -8.810 5.231 1.00 0.00 C ATOM 1295 SG CYS A 83 2.073 -9.741 4.897 1.00 0.00 S ATOM 0 H CYS A 83 5.781 -7.980 5.690 1.00 0.00 H new ATOM 0 HA CYS A 83 4.836 -10.593 5.034 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.711 -8.666 6.305 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.527 -7.819 4.781 1.00 0.00 H new ATOM 1300 N GLU A 84 4.717 -8.529 2.474 1.00 0.00 N ATOM 1301 CA GLU A 84 4.629 -8.537 0.985 1.00 0.00 C ATOM 1302 C GLU A 84 5.744 -9.391 0.373 1.00 0.00 C ATOM 1303 O GLU A 84 5.568 -9.997 -0.666 1.00 0.00 O ATOM 1304 CB GLU A 84 4.793 -7.075 0.572 1.00 0.00 C ATOM 1305 CG GLU A 84 4.613 -6.952 -0.942 1.00 0.00 C ATOM 1306 CD GLU A 84 4.897 -5.512 -1.374 1.00 0.00 C ATOM 1307 OE1 GLU A 84 5.240 -4.715 -0.517 1.00 0.00 O ATOM 1308 OE2 GLU A 84 4.767 -5.231 -2.553 1.00 0.00 O ATOM 0 H GLU A 84 4.779 -7.604 2.899 1.00 0.00 H new ATOM 0 HA GLU A 84 3.687 -8.963 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.060 -6.455 1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.779 -6.712 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.287 -7.637 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.598 -7.234 -1.222 1.00 0.00 H new ATOM 1315 N ILE A 85 6.890 -9.445 0.995 1.00 0.00 N ATOM 1316 CA ILE A 85 8.001 -10.261 0.424 1.00 0.00 C ATOM 1317 C ILE A 85 8.045 -11.639 1.090 1.00 0.00 C ATOM 1318 O ILE A 85 8.979 -12.396 0.915 1.00 0.00 O ATOM 1319 CB ILE A 85 9.277 -9.466 0.719 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.532 -9.441 2.227 1.00 0.00 C ATOM 1321 CG2 ILE A 85 9.113 -8.034 0.210 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.637 -8.430 2.538 1.00 0.00 C ATOM 0 H ILE A 85 7.105 -8.963 1.868 1.00 0.00 H new ATOM 0 HA ILE A 85 7.877 -10.436 -0.645 1.00 0.00 H new ATOM 0 HB ILE A 85 10.121 -9.940 0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.618 -9.172 2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.822 -10.432 2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.020 -7.467 0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.934 -8.048 -0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.268 -7.564 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.820 -8.410 3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.551 -8.719 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.328 -7.439 2.205 1.00 0.00 H new ATOM 1334 N CYS A 86 7.034 -11.972 1.846 1.00 0.00 N ATOM 1335 CA CYS A 86 7.009 -13.303 2.519 1.00 0.00 C ATOM 1336 C CYS A 86 8.247 -13.483 3.402 1.00 0.00 C ATOM 1337 O CYS A 86 8.605 -14.585 3.767 1.00 0.00 O ATOM 1338 CB CYS A 86 7.013 -14.323 1.379 1.00 0.00 C ATOM 1339 SG CYS A 86 5.469 -15.266 1.407 1.00 0.00 S ATOM 0 H CYS A 86 6.224 -11.380 2.027 1.00 0.00 H new ATOM 0 HA CYS A 86 6.141 -13.416 3.169 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.123 -13.814 0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.864 -14.996 1.482 1.00 0.00 H new ATOM 1344 N ALA A 87 8.903 -12.410 3.748 1.00 0.00 N ATOM 1345 CA ALA A 87 10.115 -12.528 4.609 1.00 0.00 C ATOM 1346 C ALA A 87 9.710 -12.920 6.032 1.00 0.00 C ATOM 1347 O ALA A 87 10.542 -13.203 6.871 1.00 0.00 O ATOM 1348 CB ALA A 87 10.750 -11.138 4.595 1.00 0.00 C ATOM 0 H ALA A 87 8.654 -11.460 3.473 1.00 0.00 H new ATOM 0 HA ALA A 87 10.805 -13.292 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.651 -11.143 5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.010 -10.867 3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.043 -10.411 4.995 1.00 0.00 H new ATOM 1354 N TYR A 88 8.434 -12.936 6.310 1.00 0.00 N ATOM 1355 CA TYR A 88 7.974 -13.306 7.677 1.00 0.00 C ATOM 1356 C TYR A 88 6.627 -14.032 7.608 1.00 0.00 C ATOM 1357 O TYR A 88 5.971 -14.051 6.586 1.00 0.00 O ATOM 1358 CB TYR A 88 7.829 -11.975 8.417 1.00 0.00 C ATOM 1359 CG TYR A 88 7.586 -12.235 9.884 1.00 0.00 C ATOM 1360 CD1 TYR A 88 8.608 -12.768 10.679 1.00 0.00 C ATOM 1361 CD2 TYR A 88 6.339 -11.941 10.450 1.00 0.00 C ATOM 1362 CE1 TYR A 88 8.383 -13.007 12.040 1.00 0.00 C ATOM 1363 CE2 TYR A 88 6.115 -12.179 11.812 1.00 0.00 C ATOM 1364 CZ TYR A 88 7.137 -12.713 12.606 1.00 0.00 C ATOM 1365 OH TYR A 88 6.915 -12.947 13.949 1.00 0.00 O ATOM 0 H TYR A 88 7.691 -12.709 5.649 1.00 0.00 H new ATOM 0 HA TYR A 88 8.669 -13.980 8.178 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.730 -11.376 8.288 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.002 -11.402 7.997 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.569 -12.995 10.242 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.550 -11.531 9.836 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.171 -13.418 12.653 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.154 -11.951 12.249 1.00 0.00 H new ATOM 0 HH TYR A 88 5.999 -12.687 14.179 1.00 0.00 H new ATOM 1375 N ALA A 89 6.216 -14.634 8.691 1.00 0.00 N ATOM 1376 CA ALA A 89 4.914 -15.365 8.694 1.00 0.00 C ATOM 1377 C ALA A 89 3.743 -14.376 8.737 1.00 0.00 C ATOM 1378 O ALA A 89 2.597 -14.763 8.840 1.00 0.00 O ATOM 1379 CB ALA A 89 4.944 -16.216 9.963 1.00 0.00 C ATOM 0 H ALA A 89 6.725 -14.652 9.575 1.00 0.00 H new ATOM 0 HA ALA A 89 4.780 -15.970 7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.019 -16.787 10.040 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.791 -16.901 9.922 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.044 -15.568 10.834 1.00 0.00 H new ATOM 1385 N ALA A 90 4.022 -13.103 8.664 1.00 0.00 N ATOM 1386 CA ALA A 90 2.922 -12.095 8.704 1.00 0.00 C ATOM 1387 C ALA A 90 2.029 -12.227 7.467 1.00 0.00 C ATOM 1388 O ALA A 90 0.831 -12.032 7.532 1.00 0.00 O ATOM 1389 CB ALA A 90 3.629 -10.739 8.709 1.00 0.00 C ATOM 0 H ALA A 90 4.962 -12.717 8.579 1.00 0.00 H new ATOM 0 HA ALA A 90 2.278 -12.226 9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.886 -9.942 8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.272 -10.667 9.586 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.233 -10.640 7.807 1.00 0.00 H new ATOM 1395 N CYS A 91 2.602 -12.552 6.339 1.00 0.00 N ATOM 1396 CA CYS A 91 1.784 -12.689 5.099 1.00 0.00 C ATOM 1397 C CYS A 91 1.413 -14.149 4.856 1.00 0.00 C ATOM 1398 O CYS A 91 2.266 -15.004 4.723 1.00 0.00 O ATOM 1399 CB CYS A 91 2.682 -12.186 3.978 1.00 0.00 C ATOM 1400 SG CYS A 91 1.963 -10.693 3.252 1.00 0.00 S ATOM 0 H CYS A 91 3.600 -12.728 6.223 1.00 0.00 H new ATOM 0 HA CYS A 91 0.850 -12.131 5.166 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.678 -11.972 4.364 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.795 -12.956 3.215 1.00 0.00 H new ATOM 1405 N THR A 92 0.149 -14.439 4.811 1.00 0.00 N ATOM 1406 CA THR A 92 -0.281 -15.845 4.590 1.00 0.00 C ATOM 1407 C THR A 92 -0.787 -16.034 3.158 1.00 0.00 C ATOM 1408 O THR A 92 -1.088 -17.133 2.735 1.00 0.00 O ATOM 1409 CB THR A 92 -1.403 -16.060 5.603 1.00 0.00 C ATOM 1410 OG1 THR A 92 -1.234 -15.154 6.688 1.00 0.00 O ATOM 1411 CG2 THR A 92 -1.348 -17.497 6.122 1.00 0.00 C ATOM 0 H THR A 92 -0.608 -13.764 4.918 1.00 0.00 H new ATOM 0 HA THR A 92 0.532 -16.559 4.719 1.00 0.00 H new ATOM 0 HB THR A 92 -2.368 -15.884 5.128 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.712 -14.320 6.496 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.148 -17.653 6.846 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.471 -18.190 5.289 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.385 -17.674 6.602 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.875 -14.974 2.402 1.00 0.00 N ATOM 1420 CA GLY A 93 -1.351 -15.099 0.996 1.00 0.00 C ATOM 1421 C GLY A 93 -0.173 -15.498 0.102 1.00 0.00 C ATOM 1422 O GLY A 93 -0.321 -16.252 -0.838 1.00 0.00 O ATOM 0 H GLY A 93 -0.638 -14.027 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.142 -15.846 0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.777 -14.154 0.658 1.00 0.00 H new ATOM 1426 N CYS A 94 0.995 -14.995 0.395 1.00 0.00 N ATOM 1427 CA CYS A 94 2.188 -15.341 -0.431 1.00 0.00 C ATOM 1428 C CYS A 94 1.826 -15.318 -1.919 1.00 0.00 C ATOM 1429 O CYS A 94 1.142 -14.395 -2.327 1.00 0.00 O ATOM 1430 CB CYS A 94 2.576 -16.754 0.005 1.00 0.00 C ATOM 1431 SG CYS A 94 4.177 -16.706 0.848 1.00 0.00 S ATOM 1432 OXT CYS A 94 2.242 -16.224 -2.622 1.00 0.00 O ATOM 0 H CYS A 94 1.175 -14.359 1.171 1.00 0.00 H new ATOM 0 HA CYS A 94 3.005 -14.633 -0.292 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.815 -17.163 0.670 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.629 -17.412 -0.862 1.00 0.00 H new TER 1437 CYS A 94