USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 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 39 TYR OH : rot 83:sc= 0.875 USER MOD Set 1.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 SER OG : rot 124:sc= -1.78! USER MOD Set 2.2: A 23 CYS SG : rot 60:sc= -1.75 USER MOD Set 3.1: A 9 ASN :FLIP amide:sc= -1.95 F(o=-5.6,f=-2.5) USER MOD Set 3.2: A 10 ASN : amide:sc= -0.594 K(o=-2.5,f=-4.3!) USER MOD Set 4.1: A 5 HIS : no HE2:sc= -4.01! C(o=-13!,f=-14!) USER MOD Set 4.2: A 92 ASN : amide:sc= -7.41! C(o=-13!,f=-25!) USER MOD Set 4.3: A 94 SER OG : rot -33:sc= -1.27 USER MOD Single : A 3 ASN : amide:sc= -0.123 X(o=-0.12,f=0.0098) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -6.78! C(o=-6.8!,f=-10!) USER MOD Single : A 20 HIS : no HE2:sc= -5.67! C(o=-5.7!,f=-8.4!) USER MOD Single : A 25 ASN : amide:sc= -2.42 K(o=-2.4,f=-4.3!) USER MOD Single : A 33 SER OG : rot 131:sc= 0.00406 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -6.17! C(o=-6.2!,f=-15!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -44:sc= 0.688 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.168 F(o=-1.9,f=-0.17) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.01 X(o=-2,f=-2) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.049) USER MOD Single : A 80 ASN : amide:sc= -1.04 K(o=-1,f=-2.3!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.633 X(o=-0.63,f=-0.25) USER MOD Single : A 99 ASN : amide:sc= -1.55 K(o=-1.6,f=-4.3!) USER MOD Single : A 101 CYS SG : rot -49:sc= -0.268 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.791 -8.669 -3.992 1.00 0.00 N ATOM 21 CA GLY A 2 -5.315 -7.330 -3.798 1.00 0.00 C ATOM 22 C GLY A 2 -5.854 -6.727 -5.074 1.00 0.00 C ATOM 23 O GLY A 2 -5.374 -5.696 -5.545 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.108 -7.359 -3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.527 -6.689 -3.402 1.00 0.00 H new ATOM 27 N ASN A 3 -6.872 -7.373 -5.613 1.00 0.00 N ATOM 28 CA ASN A 3 -7.530 -6.922 -6.827 1.00 0.00 C ATOM 29 C ASN A 3 -8.158 -5.547 -6.627 1.00 0.00 C ATOM 30 O ASN A 3 -8.548 -4.891 -7.592 1.00 0.00 O ATOM 31 CB ASN A 3 -8.593 -7.927 -7.261 1.00 0.00 C ATOM 32 CG ASN A 3 -8.034 -9.006 -8.168 1.00 0.00 C ATOM 33 OD1 ASN A 3 -8.523 -9.214 -9.279 1.00 0.00 O ATOM 34 ND2 ASN A 3 -7.004 -9.700 -7.698 1.00 0.00 N ATOM 0 H ASN A 3 -7.267 -8.228 -5.221 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.777 -6.845 -7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.033 -8.391 -6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.396 -7.402 -7.778 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.586 -10.439 -8.264 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -6.630 -9.494 -6.771 1.00 0.00 H new ATOM 41 N PHE A 4 -8.291 -5.126 -5.367 1.00 0.00 N ATOM 42 CA PHE A 4 -8.913 -3.844 -5.054 1.00 0.00 C ATOM 43 C PHE A 4 -8.390 -2.736 -5.965 1.00 0.00 C ATOM 44 O PHE A 4 -9.124 -1.816 -6.321 1.00 0.00 O ATOM 45 CB PHE A 4 -8.660 -3.476 -3.585 1.00 0.00 C ATOM 46 CG PHE A 4 -7.424 -2.642 -3.365 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.165 -3.164 -3.618 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.525 -1.335 -2.914 1.00 0.00 C ATOM 49 CE1 PHE A 4 -5.031 -2.398 -3.423 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.394 -0.565 -2.719 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.145 -1.098 -2.973 1.00 0.00 C ATOM 0 H PHE A 4 -7.977 -5.654 -4.553 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.985 -3.944 -5.221 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.525 -2.933 -3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.576 -4.393 -3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.069 -4.180 -3.971 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.499 -0.914 -2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.056 -2.817 -3.623 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.486 0.452 -2.368 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.260 -0.499 -2.820 1.00 0.00 H new ATOM 61 N HIS A 5 -7.124 -2.835 -6.347 1.00 0.00 N ATOM 62 CA HIS A 5 -6.517 -1.845 -7.222 1.00 0.00 C ATOM 63 C HIS A 5 -7.223 -1.816 -8.575 1.00 0.00 C ATOM 64 O HIS A 5 -7.410 -0.754 -9.168 1.00 0.00 O ATOM 65 CB HIS A 5 -5.026 -2.147 -7.403 1.00 0.00 C ATOM 66 CG HIS A 5 -4.726 -3.074 -8.543 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.309 -2.631 -9.781 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.793 -4.424 -8.632 1.00 0.00 C ATOM 69 CE1 HIS A 5 -4.134 -3.666 -10.581 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.419 -4.766 -9.909 1.00 0.00 N ATOM 0 H HIS A 5 -6.499 -3.590 -6.064 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.624 -0.863 -6.761 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.492 -1.210 -7.560 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.640 -2.583 -6.482 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.159 -1.655 -10.038 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.086 -5.104 -7.846 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.812 -3.621 -11.611 1.00 0.00 H new ATOM 79 N GLU A 6 -7.608 -2.994 -9.060 1.00 0.00 N ATOM 80 CA GLU A 6 -8.286 -3.106 -10.344 1.00 0.00 C ATOM 81 C GLU A 6 -9.758 -2.715 -10.227 1.00 0.00 C ATOM 82 O GLU A 6 -10.382 -2.312 -11.209 1.00 0.00 O ATOM 83 CB GLU A 6 -8.154 -4.532 -10.892 1.00 0.00 C ATOM 84 CG GLU A 6 -9.028 -5.557 -10.181 1.00 0.00 C ATOM 85 CD GLU A 6 -9.874 -6.369 -11.143 1.00 0.00 C ATOM 86 OE1 GLU A 6 -11.007 -5.937 -11.447 1.00 0.00 O ATOM 87 OE2 GLU A 6 -9.405 -7.435 -11.592 1.00 0.00 O ATOM 0 H GLU A 6 -7.461 -3.883 -8.582 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.809 -2.415 -11.039 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.408 -4.527 -11.952 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.112 -4.844 -10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.395 -6.230 -9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.680 -5.045 -9.473 1.00 0.00 H new ATOM 94 N SER A 7 -10.307 -2.837 -9.022 1.00 0.00 N ATOM 95 CA SER A 7 -11.705 -2.497 -8.783 1.00 0.00 C ATOM 96 C SER A 7 -11.832 -1.202 -7.983 1.00 0.00 C ATOM 97 O SER A 7 -12.893 -0.908 -7.432 1.00 0.00 O ATOM 98 CB SER A 7 -12.407 -3.636 -8.042 1.00 0.00 C ATOM 99 OG SER A 7 -12.869 -4.625 -8.946 1.00 0.00 O ATOM 0 H SER A 7 -9.806 -3.168 -8.198 1.00 0.00 H new ATOM 0 HA SER A 7 -12.183 -2.348 -9.751 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.720 -4.086 -7.326 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.247 -3.240 -7.472 1.00 0.00 H new ATOM 0 HG SER A 7 -13.312 -5.343 -8.447 1.00 0.00 H new ATOM 105 N SER A 8 -10.751 -0.428 -7.922 1.00 0.00 N ATOM 106 CA SER A 8 -10.760 0.833 -7.188 1.00 0.00 C ATOM 107 C SER A 8 -10.181 1.961 -8.034 1.00 0.00 C ATOM 108 O SER A 8 -9.406 1.722 -8.960 1.00 0.00 O ATOM 109 CB SER A 8 -9.967 0.701 -5.887 1.00 0.00 C ATOM 110 OG SER A 8 -10.066 1.881 -5.107 1.00 0.00 O ATOM 0 H SER A 8 -9.862 -0.651 -8.370 1.00 0.00 H new ATOM 0 HA SER A 8 -11.796 1.074 -6.950 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.339 -0.149 -5.315 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.920 0.498 -6.114 1.00 0.00 H new ATOM 0 HG SER A 8 -10.406 1.656 -4.216 1.00 0.00 H new ATOM 116 N ASN A 9 -10.561 3.191 -7.705 1.00 0.00 N ATOM 117 CA ASN A 9 -10.079 4.359 -8.428 1.00 0.00 C ATOM 118 C ASN A 9 -9.376 5.324 -7.481 1.00 0.00 C ATOM 119 O ASN A 9 -9.578 5.280 -6.267 1.00 0.00 O ATOM 120 CB ASN A 9 -11.241 5.063 -9.135 1.00 0.00 C ATOM 121 CG ASN A 9 -10.842 6.401 -9.728 1.00 0.00 C ATOM 122 OD1 ASN A 9 -10.792 7.426 -8.887 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -10.582 6.510 -10.927 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.202 3.404 -6.941 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.361 4.027 -9.178 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.623 4.419 -9.927 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.055 5.213 -8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.634 5.694 -11.536 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.315 7.417 -11.311 1.00 0.00 H new ATOM 130 N ASN A 10 -8.549 6.193 -8.046 1.00 0.00 N ATOM 131 CA ASN A 10 -7.811 7.172 -7.255 1.00 0.00 C ATOM 132 C ASN A 10 -6.902 6.480 -6.242 1.00 0.00 C ATOM 133 O ASN A 10 -7.038 6.677 -5.034 1.00 0.00 O ATOM 134 CB ASN A 10 -8.782 8.110 -6.534 1.00 0.00 C ATOM 135 CG ASN A 10 -9.183 9.296 -7.389 1.00 0.00 C ATOM 136 OD1 ASN A 10 -8.790 9.400 -8.551 1.00 0.00 O ATOM 137 ND2 ASN A 10 -9.970 10.199 -6.815 1.00 0.00 N ATOM 0 H ASN A 10 -8.371 6.241 -9.049 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.188 7.757 -7.932 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.675 7.554 -6.247 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.321 8.468 -5.614 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.273 11.019 -7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.272 10.072 -5.849 1.00 0.00 H new ATOM 144 N ILE A 11 -5.973 5.673 -6.743 1.00 0.00 N ATOM 145 CA ILE A 11 -5.038 4.957 -5.881 1.00 0.00 C ATOM 146 C ILE A 11 -3.739 5.744 -5.732 1.00 0.00 C ATOM 147 O ILE A 11 -3.025 5.970 -6.710 1.00 0.00 O ATOM 148 CB ILE A 11 -4.713 3.544 -6.424 1.00 0.00 C ATOM 149 CG1 ILE A 11 -5.842 3.029 -7.322 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.472 2.575 -5.276 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.186 2.970 -6.628 1.00 0.00 C ATOM 0 H ILE A 11 -5.847 5.498 -7.740 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.522 4.849 -4.910 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.804 3.614 -7.022 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.922 3.673 -8.197 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.584 2.033 -7.682 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.245 1.587 -5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.633 2.925 -4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.365 2.518 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.938 2.597 -7.323 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.123 2.303 -5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.466 3.968 -6.292 1.00 0.00 H new ATOM 163 N TRP A 12 -3.442 6.165 -4.507 1.00 0.00 N ATOM 164 CA TRP A 12 -2.231 6.934 -4.237 1.00 0.00 C ATOM 165 C TRP A 12 -1.856 6.864 -2.760 1.00 0.00 C ATOM 166 O TRP A 12 -2.476 6.135 -1.986 1.00 0.00 O ATOM 167 CB TRP A 12 -2.427 8.393 -4.657 1.00 0.00 C ATOM 168 CG TRP A 12 -3.536 9.079 -3.919 1.00 0.00 C ATOM 169 CD1 TRP A 12 -4.868 8.787 -3.985 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.410 10.173 -3.003 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.578 9.632 -3.167 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.705 10.492 -2.553 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.328 10.914 -2.519 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -4.946 11.519 -1.643 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.568 11.932 -1.616 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.868 12.226 -1.186 1.00 0.00 C ATOM 0 H TRP A 12 -4.021 5.987 -3.687 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.418 6.499 -4.818 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.498 8.939 -4.492 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.634 8.431 -5.727 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.301 8.005 -4.592 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.590 9.621 -3.038 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.322 10.695 -2.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.948 11.749 -1.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.739 12.511 -1.235 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.023 13.028 -0.479 1.00 0.00 H new ATOM 187 N LEU A 13 -0.837 7.628 -2.377 1.00 0.00 N ATOM 188 CA LEU A 13 -0.379 7.654 -0.992 1.00 0.00 C ATOM 189 C LEU A 13 -0.229 9.087 -0.493 1.00 0.00 C ATOM 190 O LEU A 13 0.097 9.992 -1.261 1.00 0.00 O ATOM 191 CB LEU A 13 0.954 6.915 -0.861 1.00 0.00 C ATOM 192 CG LEU A 13 1.170 6.201 0.474 1.00 0.00 C ATOM 193 CD1 LEU A 13 0.069 5.179 0.719 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.538 5.536 0.507 1.00 0.00 C ATOM 0 H LEU A 13 -0.313 8.237 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.128 7.153 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.026 6.181 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.764 7.629 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 13 1.130 6.943 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.240 4.682 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.897 5.683 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.074 4.439 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.675 5.033 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.607 4.806 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.313 6.292 0.380 1.00 0.00 H new ATOM 206 N GLU A 14 -0.468 9.286 0.800 1.00 0.00 N ATOM 207 CA GLU A 14 -0.360 10.608 1.405 1.00 0.00 C ATOM 208 C GLU A 14 0.678 10.606 2.523 1.00 0.00 C ATOM 209 O GLU A 14 0.534 9.896 3.518 1.00 0.00 O ATOM 210 CB GLU A 14 -1.721 11.056 1.947 1.00 0.00 C ATOM 211 CG GLU A 14 -1.661 12.326 2.782 1.00 0.00 C ATOM 212 CD GLU A 14 -3.018 12.733 3.323 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.807 13.329 2.560 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.291 12.456 4.510 1.00 0.00 O ATOM 0 H GLU A 14 -0.738 8.547 1.449 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.038 11.312 0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.401 11.214 1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.143 10.254 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.972 12.177 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.258 13.137 2.175 1.00 0.00 H new ATOM 221 N ASP A 15 1.724 11.406 2.350 1.00 0.00 N ATOM 222 CA ASP A 15 2.792 11.500 3.340 1.00 0.00 C ATOM 223 C ASP A 15 3.506 10.159 3.513 1.00 0.00 C ATOM 224 O ASP A 15 4.232 9.954 4.486 1.00 0.00 O ATOM 225 CB ASP A 15 2.230 11.975 4.683 1.00 0.00 C ATOM 226 CG ASP A 15 2.811 13.307 5.114 1.00 0.00 C ATOM 227 OD1 ASP A 15 3.921 13.314 5.688 1.00 0.00 O ATOM 228 OD2 ASP A 15 2.156 14.345 4.879 1.00 0.00 O ATOM 0 H ASP A 15 1.856 12.000 1.532 1.00 0.00 H new ATOM 0 HA ASP A 15 3.520 12.227 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.146 12.061 4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.440 11.226 5.447 1.00 0.00 H new ATOM 233 N GLY A 16 3.304 9.251 2.560 1.00 0.00 N ATOM 234 CA GLY A 16 3.942 7.950 2.624 1.00 0.00 C ATOM 235 C GLY A 16 3.528 7.142 3.840 1.00 0.00 C ATOM 236 O GLY A 16 4.376 6.699 4.614 1.00 0.00 O ATOM 0 H GLY A 16 2.709 9.395 1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.699 7.388 1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.024 8.083 2.635 1.00 0.00 H new ATOM 240 N HIS A 17 2.224 6.938 4.004 1.00 0.00 N ATOM 241 CA HIS A 17 1.710 6.165 5.130 1.00 0.00 C ATOM 242 C HIS A 17 0.195 5.989 5.041 1.00 0.00 C ATOM 243 O HIS A 17 -0.340 4.955 5.440 1.00 0.00 O ATOM 244 CB HIS A 17 2.098 6.823 6.460 1.00 0.00 C ATOM 245 CG HIS A 17 1.339 8.076 6.773 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.219 9.129 5.890 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.665 8.445 7.889 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.506 10.091 6.450 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.158 9.701 7.662 1.00 0.00 N ATOM 0 H HIS A 17 1.506 7.296 3.374 1.00 0.00 H new ATOM 0 HA HIS A 17 2.164 5.175 5.086 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.941 6.106 7.266 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.163 7.053 6.441 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.618 9.160 4.952 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.548 7.860 8.789 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.251 11.036 5.993 1.00 0.00 H new ATOM 258 N ILE A 18 -0.492 6.997 4.513 1.00 0.00 N ATOM 259 CA ILE A 18 -1.943 6.938 4.372 1.00 0.00 C ATOM 260 C ILE A 18 -2.338 6.528 2.956 1.00 0.00 C ATOM 261 O ILE A 18 -1.836 7.077 1.975 1.00 0.00 O ATOM 262 CB ILE A 18 -2.600 8.292 4.718 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.388 8.616 6.199 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.087 8.278 4.381 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.215 7.761 7.135 1.00 0.00 C ATOM 0 H ILE A 18 -0.069 7.862 4.177 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.302 6.187 5.075 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.127 9.068 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.333 8.489 6.442 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.630 9.665 6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.527 9.243 4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.217 8.088 3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.582 7.493 4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.011 8.049 8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.274 7.906 6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.957 6.712 6.993 1.00 0.00 H new ATOM 277 N LEU A 19 -3.241 5.558 2.860 1.00 0.00 N ATOM 278 CA LEU A 19 -3.709 5.067 1.569 1.00 0.00 C ATOM 279 C LEU A 19 -5.163 5.457 1.336 1.00 0.00 C ATOM 280 O LEU A 19 -5.985 5.395 2.248 1.00 0.00 O ATOM 281 CB LEU A 19 -3.560 3.544 1.499 1.00 0.00 C ATOM 282 CG LEU A 19 -3.853 2.917 0.133 1.00 0.00 C ATOM 283 CD1 LEU A 19 -5.351 2.876 -0.129 1.00 0.00 C ATOM 284 CD2 LEU A 19 -3.136 3.677 -0.974 1.00 0.00 C ATOM 0 H LEU A 19 -3.665 5.095 3.664 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.100 5.523 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.543 3.282 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.227 3.096 2.236 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.479 1.893 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.538 2.427 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.839 2.282 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.751 3.890 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.358 3.215 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.475 4.713 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.061 3.649 -0.797 1.00 0.00 H new ATOM 296 N HIS A 20 -5.474 5.852 0.106 1.00 0.00 N ATOM 297 CA HIS A 20 -6.833 6.243 -0.252 1.00 0.00 C ATOM 298 C HIS A 20 -7.222 5.637 -1.595 1.00 0.00 C ATOM 299 O HIS A 20 -6.447 5.675 -2.551 1.00 0.00 O ATOM 300 CB HIS A 20 -6.973 7.770 -0.309 1.00 0.00 C ATOM 301 CG HIS A 20 -5.819 8.513 0.291 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.561 8.526 -0.271 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.737 9.270 1.411 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.755 9.258 0.476 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.444 9.721 1.502 1.00 0.00 N ATOM 0 H HIS A 20 -4.803 5.910 -0.660 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.504 5.865 0.520 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.086 8.075 -1.349 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.887 8.060 0.209 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.294 8.045 -1.130 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.539 9.480 2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.710 9.446 0.281 1.00 0.00 H new ATOM 314 N ALA A 21 -8.421 5.072 -1.661 1.00 0.00 N ATOM 315 CA ALA A 21 -8.902 4.453 -2.888 1.00 0.00 C ATOM 316 C ALA A 21 -10.413 4.260 -2.854 1.00 0.00 C ATOM 317 O ALA A 21 -10.984 3.928 -1.815 1.00 0.00 O ATOM 318 CB ALA A 21 -8.202 3.122 -3.111 1.00 0.00 C ATOM 0 H ALA A 21 -9.076 5.030 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.670 5.120 -3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.569 2.668 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.127 3.285 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.407 2.458 -2.271 1.00 0.00 H new ATOM 324 N GLU A 22 -11.055 4.470 -3.998 1.00 0.00 N ATOM 325 CA GLU A 22 -12.502 4.319 -4.102 1.00 0.00 C ATOM 326 C GLU A 22 -12.863 2.924 -4.602 1.00 0.00 C ATOM 327 O GLU A 22 -12.836 2.658 -5.803 1.00 0.00 O ATOM 328 CB GLU A 22 -13.086 5.375 -5.046 1.00 0.00 C ATOM 329 CG GLU A 22 -12.304 6.679 -5.070 1.00 0.00 C ATOM 330 CD GLU A 22 -13.180 7.879 -5.372 1.00 0.00 C ATOM 331 OE1 GLU A 22 -14.184 8.076 -4.657 1.00 0.00 O ATOM 332 OE2 GLU A 22 -12.861 8.623 -6.324 1.00 0.00 O ATOM 0 H GLU A 22 -10.596 4.745 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.928 4.458 -3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.122 4.966 -6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.114 5.584 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.816 6.823 -4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.515 6.612 -5.820 1.00 0.00 H new ATOM 339 N CYS A 23 -13.198 2.036 -3.672 1.00 0.00 N ATOM 340 CA CYS A 23 -13.561 0.667 -4.020 1.00 0.00 C ATOM 341 C CYS A 23 -15.073 0.476 -3.985 1.00 0.00 C ATOM 342 O CYS A 23 -15.757 1.016 -3.116 1.00 0.00 O ATOM 343 CB CYS A 23 -12.889 -0.320 -3.064 1.00 0.00 C ATOM 344 SG CYS A 23 -11.139 0.022 -2.760 1.00 0.00 S ATOM 0 H CYS A 23 -13.226 2.239 -2.673 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.213 0.475 -5.035 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.421 -0.308 -2.113 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.986 -1.327 -3.471 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.012 1.207 -2.240 1.00 0.00 H new ATOM 350 N GLY A 24 -15.589 -0.296 -4.936 1.00 0.00 N ATOM 351 CA GLY A 24 -17.017 -0.545 -4.996 1.00 0.00 C ATOM 352 C GLY A 24 -17.462 -1.610 -4.013 1.00 0.00 C ATOM 353 O GLY A 24 -16.646 -2.167 -3.279 1.00 0.00 O ATOM 0 H GLY A 24 -15.043 -0.754 -5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.553 0.382 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.287 -0.852 -6.006 1.00 0.00 H new ATOM 357 N ASN A 25 -18.761 -1.892 -3.997 1.00 0.00 N ATOM 358 CA ASN A 25 -19.314 -2.898 -3.095 1.00 0.00 C ATOM 359 C ASN A 25 -19.876 -4.080 -3.880 1.00 0.00 C ATOM 360 O ASN A 25 -19.772 -5.229 -3.450 1.00 0.00 O ATOM 361 CB ASN A 25 -20.408 -2.292 -2.202 1.00 0.00 C ATOM 362 CG ASN A 25 -20.811 -0.891 -2.624 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.543 0.084 -1.921 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.456 -0.784 -3.779 1.00 0.00 N ATOM 0 H ASN A 25 -19.450 -1.439 -4.597 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.504 -3.255 -2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.286 -2.938 -2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -20.055 -2.267 -1.171 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.750 0.133 -4.116 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.658 -1.619 -4.330 1.00 0.00 H new ATOM 433 N VAL A 31 -16.861 3.341 -3.448 1.00 0.00 N ATOM 434 CA VAL A 31 -16.867 3.819 -2.070 1.00 0.00 C ATOM 435 C VAL A 31 -15.470 4.233 -1.622 1.00 0.00 C ATOM 436 O VAL A 31 -14.567 3.403 -1.522 1.00 0.00 O ATOM 437 CB VAL A 31 -17.402 2.744 -1.105 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.613 3.329 0.282 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.692 2.140 -1.639 1.00 0.00 C ATOM 0 HA VAL A 31 -17.527 4.686 -2.042 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.660 1.949 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.991 2.555 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.665 3.708 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.334 4.145 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.054 1.383 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.443 2.923 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.504 1.681 -2.610 1.00 0.00 H new ATOM 449 N GLU A 32 -15.298 5.524 -1.355 1.00 0.00 N ATOM 450 CA GLU A 32 -14.017 6.053 -0.919 1.00 0.00 C ATOM 451 C GLU A 32 -13.594 5.448 0.416 1.00 0.00 C ATOM 452 O GLU A 32 -14.316 5.544 1.409 1.00 0.00 O ATOM 453 CB GLU A 32 -14.095 7.573 -0.799 1.00 0.00 C ATOM 454 CG GLU A 32 -12.746 8.253 -0.916 1.00 0.00 C ATOM 455 CD GLU A 32 -12.842 9.764 -0.829 1.00 0.00 C ATOM 456 OE1 GLU A 32 -13.612 10.262 0.019 1.00 0.00 O ATOM 457 OE2 GLU A 32 -12.147 10.449 -1.608 1.00 0.00 O ATOM 0 H GLU A 32 -16.036 6.224 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.269 5.785 -1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -14.757 7.958 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.543 7.832 0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.090 7.889 -0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.285 7.976 -1.864 1.00 0.00 H new ATOM 464 N SER A 33 -12.418 4.833 0.432 1.00 0.00 N ATOM 465 CA SER A 33 -11.890 4.218 1.644 1.00 0.00 C ATOM 466 C SER A 33 -10.401 4.512 1.784 1.00 0.00 C ATOM 467 O SER A 33 -9.769 5.010 0.853 1.00 0.00 O ATOM 468 CB SER A 33 -12.129 2.709 1.622 1.00 0.00 C ATOM 469 OG SER A 33 -13.499 2.414 1.412 1.00 0.00 O ATOM 0 H SER A 33 -11.810 4.747 -0.383 1.00 0.00 H new ATOM 0 HA SER A 33 -12.412 4.642 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.530 2.254 0.833 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.800 2.271 2.564 1.00 0.00 H new ATOM 0 HG SER A 33 -13.584 1.746 0.700 1.00 0.00 H new ATOM 475 N THR A 34 -9.843 4.209 2.951 1.00 0.00 N ATOM 476 CA THR A 34 -8.428 4.452 3.198 1.00 0.00 C ATOM 477 C THR A 34 -7.830 3.378 4.100 1.00 0.00 C ATOM 478 O THR A 34 -8.542 2.716 4.855 1.00 0.00 O ATOM 479 CB THR A 34 -8.232 5.832 3.829 1.00 0.00 C ATOM 480 OG1 THR A 34 -8.936 5.927 5.054 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.697 6.967 2.942 1.00 0.00 C ATOM 0 H THR A 34 -10.346 3.797 3.737 1.00 0.00 H new ATOM 0 HA THR A 34 -7.910 4.417 2.240 1.00 0.00 H new ATOM 0 HB THR A 34 -7.157 5.930 3.983 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.797 6.816 5.443 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.530 7.917 3.449 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.137 6.951 2.007 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.760 6.851 2.730 1.00 0.00 H new ATOM 489 N LEU A 35 -6.513 3.213 4.014 1.00 0.00 N ATOM 490 CA LEU A 35 -5.807 2.224 4.818 1.00 0.00 C ATOM 491 C LEU A 35 -4.489 2.791 5.335 1.00 0.00 C ATOM 492 O LEU A 35 -3.750 3.440 4.595 1.00 0.00 O ATOM 493 CB LEU A 35 -5.541 0.962 3.994 1.00 0.00 C ATOM 494 CG LEU A 35 -4.966 -0.218 4.783 1.00 0.00 C ATOM 495 CD1 LEU A 35 -5.995 -1.332 4.909 1.00 0.00 C ATOM 496 CD2 LEU A 35 -3.697 -0.736 4.122 1.00 0.00 C ATOM 0 H LEU A 35 -5.912 3.755 3.392 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.435 1.967 5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.475 0.647 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.851 1.211 3.188 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.714 0.131 5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.567 -2.161 5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.876 -0.956 5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.280 -1.678 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.303 -1.574 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.924 -1.066 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.954 0.061 4.087 1.00 0.00 H new ATOM 508 N ASP A 36 -4.199 2.541 6.607 1.00 0.00 N ATOM 509 CA ASP A 36 -2.969 3.026 7.217 1.00 0.00 C ATOM 510 C ASP A 36 -1.887 1.956 7.167 1.00 0.00 C ATOM 511 O ASP A 36 -2.065 0.852 7.672 1.00 0.00 O ATOM 512 CB ASP A 36 -3.224 3.450 8.665 1.00 0.00 C ATOM 513 CG ASP A 36 -1.980 3.996 9.338 1.00 0.00 C ATOM 514 OD1 ASP A 36 -1.406 4.976 8.817 1.00 0.00 O ATOM 515 OD2 ASP A 36 -1.580 3.445 10.385 1.00 0.00 O ATOM 0 H ASP A 36 -4.799 2.006 7.234 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.626 3.893 6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.007 4.208 8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.594 2.595 9.231 1.00 0.00 H new ATOM 520 N LEU A 37 -0.771 2.289 6.543 1.00 0.00 N ATOM 521 CA LEU A 37 0.347 1.362 6.425 1.00 0.00 C ATOM 522 C LEU A 37 1.273 1.486 7.621 1.00 0.00 C ATOM 523 O LEU A 37 1.927 0.522 8.019 1.00 0.00 O ATOM 524 CB LEU A 37 1.115 1.624 5.146 1.00 0.00 C ATOM 525 CG LEU A 37 0.248 2.055 3.973 1.00 0.00 C ATOM 526 CD1 LEU A 37 0.932 3.163 3.211 1.00 0.00 C ATOM 527 CD2 LEU A 37 -0.059 0.863 3.086 1.00 0.00 C ATOM 0 H LEU A 37 -0.612 3.198 6.108 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.051 0.348 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.860 2.397 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.657 0.719 4.869 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.702 2.442 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.306 3.468 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.092 4.015 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.893 2.808 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.680 1.183 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.872 0.442 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.590 0.107 3.664 1.00 0.00 H new ATOM 539 N ASP A 38 1.316 2.684 8.197 1.00 0.00 N ATOM 540 CA ASP A 38 2.156 2.942 9.357 1.00 0.00 C ATOM 541 C ASP A 38 1.809 1.987 10.493 1.00 0.00 C ATOM 542 O ASP A 38 2.550 1.875 11.469 1.00 0.00 O ATOM 543 CB ASP A 38 1.992 4.390 9.822 1.00 0.00 C ATOM 544 CG ASP A 38 3.076 4.811 10.794 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.265 4.557 10.505 1.00 0.00 O ATOM 546 OD2 ASP A 38 2.738 5.396 11.844 1.00 0.00 O ATOM 0 H ASP A 38 0.778 3.490 7.878 1.00 0.00 H new ATOM 0 HA ASP A 38 3.195 2.779 9.070 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.008 5.051 8.955 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.017 4.509 10.295 1.00 0.00 H new ATOM 551 N TYR A 39 0.678 1.295 10.360 1.00 0.00 N ATOM 552 CA TYR A 39 0.250 0.349 11.385 1.00 0.00 C ATOM 553 C TYR A 39 -0.061 -1.026 10.787 1.00 0.00 C ATOM 554 O TYR A 39 -0.479 -1.939 11.501 1.00 0.00 O ATOM 555 CB TYR A 39 -0.961 0.905 12.147 1.00 0.00 C ATOM 556 CG TYR A 39 -2.303 0.478 11.593 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.570 0.562 10.235 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.301 -0.005 12.429 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.794 0.176 9.722 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.528 -0.394 11.926 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.770 -0.301 10.572 1.00 0.00 C ATOM 562 OH TYR A 39 -5.990 -0.687 10.066 1.00 0.00 O ATOM 0 H TYR A 39 0.049 1.371 9.561 1.00 0.00 H new ATOM 0 HA TYR A 39 1.073 0.216 12.088 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.895 0.589 13.188 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.910 1.994 12.140 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.808 0.935 9.567 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.115 -0.078 13.490 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.985 0.247 8.661 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.293 -0.769 12.590 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.928 -1.605 9.728 1.00 0.00 H new ATOM 572 N TYR A 40 0.146 -1.173 9.479 1.00 0.00 N ATOM 573 CA TYR A 40 -0.112 -2.440 8.804 1.00 0.00 C ATOM 574 C TYR A 40 1.163 -3.001 8.173 1.00 0.00 C ATOM 575 O TYR A 40 1.293 -4.212 7.993 1.00 0.00 O ATOM 576 CB TYR A 40 -1.192 -2.261 7.733 1.00 0.00 C ATOM 577 CG TYR A 40 -2.555 -2.769 8.151 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.973 -2.695 9.474 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.425 -3.322 7.219 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.218 -3.158 9.857 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.671 -3.787 7.594 1.00 0.00 C ATOM 582 CZ TYR A 40 -5.063 -3.703 8.913 1.00 0.00 C ATOM 583 OH TYR A 40 -6.303 -4.165 9.290 1.00 0.00 O ATOM 0 H TYR A 40 0.491 -0.432 8.869 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.463 -3.152 9.551 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.270 -1.203 7.482 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.882 -2.782 6.827 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.314 -2.268 10.216 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.122 -3.389 6.185 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.527 -3.093 10.890 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.335 -4.214 6.857 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.773 -4.517 8.506 1.00 0.00 H new ATOM 593 N ILE A 41 2.100 -2.117 7.838 1.00 0.00 N ATOM 594 CA ILE A 41 3.358 -2.534 7.227 1.00 0.00 C ATOM 595 C ILE A 41 4.553 -2.083 8.064 1.00 0.00 C ATOM 596 O ILE A 41 4.542 -1.002 8.650 1.00 0.00 O ATOM 597 CB ILE A 41 3.499 -1.974 5.796 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.435 -2.584 4.883 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.893 -2.246 5.242 1.00 0.00 C ATOM 600 CD1 ILE A 41 1.925 -1.627 3.831 1.00 0.00 C ATOM 0 H ILE A 41 2.012 -1.111 7.979 1.00 0.00 H new ATOM 0 HA ILE A 41 3.344 -3.623 7.182 1.00 0.00 H new ATOM 0 HB ILE A 41 3.353 -0.894 5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.850 -3.464 4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.597 -2.924 5.491 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.968 -1.842 4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.637 -1.770 5.880 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.071 -3.321 5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.173 -2.126 3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.480 -0.757 4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.753 -1.306 3.199 1.00 0.00 H new ATOM 612 N GLY A 42 5.585 -2.921 8.106 1.00 0.00 N ATOM 613 CA GLY A 42 6.777 -2.595 8.865 1.00 0.00 C ATOM 614 C GLY A 42 8.044 -2.773 8.052 1.00 0.00 C ATOM 615 O GLY A 42 7.998 -3.249 6.917 1.00 0.00 O ATOM 0 H GLY A 42 5.616 -3.821 7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.713 -1.564 9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.825 -3.228 9.751 1.00 0.00 H new ATOM 619 N ASN A 43 9.177 -2.390 8.630 1.00 0.00 N ATOM 620 CA ASN A 43 10.461 -2.512 7.948 1.00 0.00 C ATOM 621 C ASN A 43 11.204 -3.764 8.403 1.00 0.00 C ATOM 622 O ASN A 43 11.658 -3.849 9.544 1.00 0.00 O ATOM 623 CB ASN A 43 11.319 -1.272 8.206 1.00 0.00 C ATOM 624 CG ASN A 43 12.646 -1.324 7.473 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.053 -2.373 6.974 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.329 -0.188 7.404 1.00 0.00 N ATOM 0 H ASN A 43 9.233 -1.993 9.568 1.00 0.00 H new ATOM 0 HA ASN A 43 10.269 -2.596 6.878 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.770 -0.383 7.896 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.502 -1.176 9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.228 -0.162 6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.955 0.659 7.832 1.00 0.00 H new ATOM 633 N ASP A 44 11.326 -4.732 7.501 1.00 0.00 N ATOM 634 CA ASP A 44 12.017 -5.979 7.806 1.00 0.00 C ATOM 635 C ASP A 44 13.317 -6.090 7.015 1.00 0.00 C ATOM 636 O ASP A 44 13.313 -6.479 5.848 1.00 0.00 O ATOM 637 CB ASP A 44 11.116 -7.174 7.494 1.00 0.00 C ATOM 638 CG ASP A 44 11.609 -8.455 8.138 1.00 0.00 C ATOM 639 OD1 ASP A 44 12.226 -8.375 9.221 1.00 0.00 O ATOM 640 OD2 ASP A 44 11.378 -9.537 7.559 1.00 0.00 O ATOM 0 H ASP A 44 10.955 -4.677 6.552 1.00 0.00 H new ATOM 0 HA ASP A 44 12.258 -5.980 8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.104 -6.963 7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.061 -7.312 6.414 1.00 0.00 H new ATOM 645 N ASP A 45 14.428 -5.746 7.659 1.00 0.00 N ATOM 646 CA ASP A 45 15.734 -5.810 7.013 1.00 0.00 C ATOM 647 C ASP A 45 15.776 -4.911 5.781 1.00 0.00 C ATOM 648 O ASP A 45 16.210 -5.329 4.707 1.00 0.00 O ATOM 649 CB ASP A 45 16.059 -7.252 6.618 1.00 0.00 C ATOM 650 CG ASP A 45 17.465 -7.399 6.070 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.413 -6.933 6.736 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.618 -7.981 4.976 1.00 0.00 O ATOM 0 H ASP A 45 14.450 -5.421 8.626 1.00 0.00 H new ATOM 0 HA ASP A 45 16.482 -5.457 7.723 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.941 -7.899 7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.343 -7.591 5.869 1.00 0.00 H new ATOM 657 N GLY A 46 15.321 -3.673 5.944 1.00 0.00 N ATOM 658 CA GLY A 46 15.314 -2.735 4.837 1.00 0.00 C ATOM 659 C GLY A 46 14.321 -3.117 3.756 1.00 0.00 C ATOM 660 O GLY A 46 14.409 -2.635 2.627 1.00 0.00 O ATOM 0 H GLY A 46 14.957 -3.303 6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.074 -1.740 5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.313 -2.681 4.405 1.00 0.00 H new ATOM 664 N SER A 47 13.372 -3.984 4.099 1.00 0.00 N ATOM 665 CA SER A 47 12.360 -4.426 3.147 1.00 0.00 C ATOM 666 C SER A 47 10.959 -4.249 3.723 1.00 0.00 C ATOM 667 O SER A 47 10.788 -4.103 4.933 1.00 0.00 O ATOM 668 CB SER A 47 12.589 -5.891 2.770 1.00 0.00 C ATOM 669 OG SER A 47 13.369 -6.000 1.592 1.00 0.00 O ATOM 0 H SER A 47 13.284 -4.394 5.029 1.00 0.00 H new ATOM 0 HA SER A 47 12.446 -3.811 2.251 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.089 -6.406 3.590 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.629 -6.385 2.621 1.00 0.00 H new ATOM 0 HG SER A 47 13.502 -6.946 1.374 1.00 0.00 H new ATOM 675 N PHE A 48 9.959 -4.264 2.847 1.00 0.00 N ATOM 676 CA PHE A 48 8.572 -4.105 3.269 1.00 0.00 C ATOM 677 C PHE A 48 8.001 -5.429 3.769 1.00 0.00 C ATOM 678 O PHE A 48 8.273 -6.487 3.202 1.00 0.00 O ATOM 679 CB PHE A 48 7.725 -3.576 2.111 1.00 0.00 C ATOM 680 CG PHE A 48 7.942 -2.117 1.824 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.888 -1.182 2.845 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.200 -1.681 0.534 1.00 0.00 C ATOM 683 CE1 PHE A 48 8.087 0.161 2.585 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.399 -0.339 0.268 1.00 0.00 C ATOM 685 CZ PHE A 48 8.343 0.583 1.295 1.00 0.00 C ATOM 0 H PHE A 48 10.083 -4.385 1.842 1.00 0.00 H new ATOM 0 HA PHE A 48 8.546 -3.386 4.088 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.951 -4.152 1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.672 -3.740 2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.688 -1.506 3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.246 -2.398 -0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.042 0.880 3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.598 -0.012 -0.742 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.499 1.632 1.090 1.00 0.00 H new ATOM 695 N SER A 49 7.211 -5.362 4.836 1.00 0.00 N ATOM 696 CA SER A 49 6.604 -6.558 5.412 1.00 0.00 C ATOM 697 C SER A 49 5.107 -6.362 5.632 1.00 0.00 C ATOM 698 O SER A 49 4.682 -5.382 6.245 1.00 0.00 O ATOM 699 CB SER A 49 7.282 -6.911 6.737 1.00 0.00 C ATOM 700 OG SER A 49 7.324 -5.790 7.603 1.00 0.00 O ATOM 0 H SER A 49 6.976 -4.495 5.319 1.00 0.00 H new ATOM 0 HA SER A 49 6.744 -7.378 4.708 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.743 -7.727 7.219 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.295 -7.266 6.547 1.00 0.00 H new ATOM 0 HG SER A 49 7.600 -4.997 7.098 1.00 0.00 H new ATOM 706 N TRP A 50 4.312 -7.301 5.128 1.00 0.00 N ATOM 707 CA TRP A 50 2.863 -7.234 5.271 1.00 0.00 C ATOM 708 C TRP A 50 2.438 -7.626 6.682 1.00 0.00 C ATOM 709 O TRP A 50 2.670 -8.752 7.121 1.00 0.00 O ATOM 710 CB TRP A 50 2.187 -8.149 4.249 1.00 0.00 C ATOM 711 CG TRP A 50 2.034 -7.518 2.899 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.598 -7.938 1.729 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.267 -6.352 2.580 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.229 -7.104 0.702 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.411 -6.123 1.198 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.471 -5.479 3.327 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.790 -5.058 0.551 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.145 -4.423 2.683 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.017 -4.220 1.307 1.00 0.00 C ATOM 0 H TRP A 50 4.648 -8.117 4.617 1.00 0.00 H new ATOM 0 HA TRP A 50 2.551 -6.205 5.090 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.770 -9.065 4.150 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.204 -8.435 4.622 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.240 -8.800 1.626 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.517 -7.199 -0.272 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.340 -5.627 4.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.914 -4.899 -0.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.762 -3.742 3.251 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.478 -3.385 0.833 1.00 0.00 H new ATOM 730 N GLY A 51 1.815 -6.689 7.388 1.00 0.00 N ATOM 731 CA GLY A 51 1.368 -6.955 8.743 1.00 0.00 C ATOM 732 C GLY A 51 2.234 -6.280 9.790 1.00 0.00 C ATOM 733 O GLY A 51 2.081 -6.532 10.985 1.00 0.00 O ATOM 0 H GLY A 51 1.611 -5.750 7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.339 -6.614 8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.368 -8.031 8.916 1.00 0.00 H new ATOM 737 N GLY A 52 3.146 -5.418 9.346 1.00 0.00 N ATOM 738 CA GLY A 52 4.018 -4.721 10.271 1.00 0.00 C ATOM 739 C GLY A 52 3.479 -3.359 10.658 1.00 0.00 C ATOM 740 O GLY A 52 2.266 -3.151 10.693 1.00 0.00 O ATOM 0 H GLY A 52 3.295 -5.191 8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.149 -5.325 11.169 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.003 -4.604 9.819 1.00 0.00 H new ATOM 744 N GLU A 53 4.381 -2.427 10.949 1.00 0.00 N ATOM 745 CA GLU A 53 3.987 -1.077 11.334 1.00 0.00 C ATOM 746 C GLU A 53 5.211 -0.204 11.587 1.00 0.00 C ATOM 747 O GLU A 53 6.296 -0.707 11.877 1.00 0.00 O ATOM 748 CB GLU A 53 3.106 -1.118 12.583 1.00 0.00 C ATOM 749 CG GLU A 53 3.694 -1.942 13.716 1.00 0.00 C ATOM 750 CD GLU A 53 3.238 -1.466 15.081 1.00 0.00 C ATOM 751 OE1 GLU A 53 2.177 -0.811 15.157 1.00 0.00 O ATOM 752 OE2 GLU A 53 3.941 -1.749 16.075 1.00 0.00 O ATOM 0 H GLU A 53 5.389 -2.582 10.925 1.00 0.00 H new ATOM 0 HA GLU A 53 3.419 -0.642 10.512 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.940 -0.099 12.934 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.131 -1.526 12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.410 -2.986 13.586 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.782 -1.899 13.665 1.00 0.00 H new ATOM 759 N ASN A 54 5.028 1.108 11.473 1.00 0.00 N ATOM 760 CA ASN A 54 6.116 2.056 11.687 1.00 0.00 C ATOM 761 C ASN A 54 7.205 1.884 10.633 1.00 0.00 C ATOM 762 O ASN A 54 8.374 2.180 10.881 1.00 0.00 O ATOM 763 CB ASN A 54 6.711 1.878 13.085 1.00 0.00 C ATOM 764 CG ASN A 54 5.656 1.927 14.173 1.00 0.00 C ATOM 765 OD1 ASN A 54 5.137 0.763 14.547 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 5.312 2.998 14.672 1.00 0.00 N flip ATOM 0 H ASN A 54 4.135 1.539 11.233 1.00 0.00 H new ATOM 0 HA ASN A 54 5.707 3.063 11.600 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.236 0.924 13.135 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.450 2.659 13.264 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.737 3.869 14.354 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.601 3.015 15.404 1.00 0.00 H new ATOM 773 N PHE A 55 6.815 1.404 9.455 1.00 0.00 N ATOM 774 CA PHE A 55 7.761 1.196 8.364 1.00 0.00 C ATOM 775 C PHE A 55 8.472 2.499 8.006 1.00 0.00 C ATOM 776 O PHE A 55 9.674 2.510 7.738 1.00 0.00 O ATOM 777 CB PHE A 55 7.038 0.634 7.136 1.00 0.00 C ATOM 778 CG PHE A 55 6.169 1.639 6.433 1.00 0.00 C ATOM 779 CD1 PHE A 55 4.908 1.945 6.917 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.616 2.277 5.287 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.108 2.869 6.271 1.00 0.00 C ATOM 782 CE2 PHE A 55 5.821 3.201 4.637 1.00 0.00 C ATOM 783 CZ PHE A 55 4.566 3.498 5.129 1.00 0.00 C ATOM 0 H PHE A 55 5.852 1.152 9.232 1.00 0.00 H new ATOM 0 HA PHE A 55 8.510 0.476 8.694 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.778 0.252 6.433 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.424 -0.212 7.443 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.546 1.456 7.809 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.597 2.049 4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.126 3.099 6.658 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.181 3.691 3.744 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.943 4.221 4.622 1.00 0.00 H new ATOM 793 N SER A 56 7.719 3.595 8.005 1.00 0.00 N ATOM 794 CA SER A 56 8.272 4.905 7.680 1.00 0.00 C ATOM 795 C SER A 56 9.217 5.390 8.777 1.00 0.00 C ATOM 796 O SER A 56 10.087 6.225 8.533 1.00 0.00 O ATOM 797 CB SER A 56 7.146 5.920 7.478 1.00 0.00 C ATOM 798 OG SER A 56 7.643 7.246 7.501 1.00 0.00 O ATOM 0 H SER A 56 6.723 3.601 8.226 1.00 0.00 H new ATOM 0 HA SER A 56 8.840 4.810 6.755 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.649 5.731 6.526 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.396 5.796 8.259 1.00 0.00 H new ATOM 0 HG SER A 56 6.903 7.875 7.368 1.00 0.00 H new ATOM 804 N GLY A 57 9.039 4.863 9.986 1.00 0.00 N ATOM 805 CA GLY A 57 9.884 5.258 11.101 1.00 0.00 C ATOM 806 C GLY A 57 11.363 5.172 10.775 1.00 0.00 C ATOM 807 O GLY A 57 12.178 5.879 11.367 1.00 0.00 O ATOM 0 H GLY A 57 8.326 4.170 10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.639 6.279 11.393 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.668 4.621 11.959 1.00 0.00 H new ATOM 811 N SER A 58 11.710 4.303 9.830 1.00 0.00 N ATOM 812 CA SER A 58 13.101 4.130 9.427 1.00 0.00 C ATOM 813 C SER A 58 13.238 4.181 7.908 1.00 0.00 C ATOM 814 O SER A 58 14.123 3.546 7.334 1.00 0.00 O ATOM 815 CB SER A 58 13.645 2.802 9.956 1.00 0.00 C ATOM 816 OG SER A 58 12.970 2.408 11.139 1.00 0.00 O ATOM 0 H SER A 58 11.048 3.709 9.330 1.00 0.00 H new ATOM 0 HA SER A 58 13.682 4.948 9.853 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.532 2.030 9.195 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.712 2.897 10.157 1.00 0.00 H new ATOM 0 HG SER A 58 13.335 1.556 11.456 1.00 0.00 H new ATOM 822 N ALA A 59 12.358 4.940 7.263 1.00 0.00 N ATOM 823 CA ALA A 59 12.383 5.074 5.812 1.00 0.00 C ATOM 824 C ALA A 59 12.470 6.539 5.397 1.00 0.00 C ATOM 825 O ALA A 59 12.369 7.438 6.232 1.00 0.00 O ATOM 826 CB ALA A 59 11.151 4.423 5.202 1.00 0.00 C ATOM 0 H ALA A 59 11.619 5.472 7.723 1.00 0.00 H new ATOM 0 HA ALA A 59 13.272 4.565 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.182 4.530 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.133 3.365 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.254 4.907 5.589 1.00 0.00 H new ATOM 832 N SER A 60 12.658 6.772 4.102 1.00 0.00 N ATOM 833 CA SER A 60 12.759 8.129 3.577 1.00 0.00 C ATOM 834 C SER A 60 12.074 8.238 2.218 1.00 0.00 C ATOM 835 O SER A 60 12.016 7.268 1.464 1.00 0.00 O ATOM 836 CB SER A 60 14.226 8.544 3.456 1.00 0.00 C ATOM 837 OG SER A 60 14.878 8.487 4.713 1.00 0.00 O ATOM 0 H SER A 60 12.743 6.039 3.397 1.00 0.00 H new ATOM 0 HA SER A 60 12.256 8.800 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.735 7.889 2.749 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.289 9.556 3.056 1.00 0.00 H new ATOM 0 HG SER A 60 15.815 8.755 4.608 1.00 0.00 H new ATOM 843 N ASN A 61 11.558 9.431 1.916 1.00 0.00 N ATOM 844 CA ASN A 61 10.871 9.690 0.648 1.00 0.00 C ATOM 845 C ASN A 61 9.997 8.508 0.230 1.00 0.00 C ATOM 846 O ASN A 61 10.254 7.859 -0.784 1.00 0.00 O ATOM 847 CB ASN A 61 11.883 10.013 -0.456 1.00 0.00 C ATOM 848 CG ASN A 61 13.106 9.117 -0.411 1.00 0.00 C ATOM 849 OD1 ASN A 61 14.181 9.536 0.018 1.00 0.00 O ATOM 850 ND2 ASN A 61 12.947 7.877 -0.855 1.00 0.00 N ATOM 0 H ASN A 61 11.603 10.239 2.537 1.00 0.00 H new ATOM 0 HA ASN A 61 10.221 10.552 0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.399 9.912 -1.427 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.196 11.053 -0.363 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.734 7.228 -0.849 1.00 0.00 H new ATOM 0 HD22 ASN A 61 12.038 7.572 -1.202 1.00 0.00 H new ATOM 857 N ILE A 62 8.965 8.236 1.020 1.00 0.00 N ATOM 858 CA ILE A 62 8.053 7.134 0.735 1.00 0.00 C ATOM 859 C ILE A 62 6.886 7.601 -0.128 1.00 0.00 C ATOM 860 O ILE A 62 6.143 8.506 0.253 1.00 0.00 O ATOM 861 CB ILE A 62 7.499 6.505 2.030 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.573 6.478 3.121 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.981 5.101 1.757 1.00 0.00 C ATOM 864 CD1 ILE A 62 8.090 5.888 4.428 1.00 0.00 C ATOM 0 H ILE A 62 8.739 8.763 1.863 1.00 0.00 H new ATOM 0 HA ILE A 62 8.628 6.381 0.195 1.00 0.00 H new ATOM 0 HB ILE A 62 6.670 7.118 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.427 5.902 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.925 7.494 3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.593 4.670 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.184 5.145 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.794 4.480 1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.902 5.900 5.155 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.255 6.477 4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.765 4.861 4.265 1.00 0.00 H new ATOM 876 N THR A 63 6.729 6.981 -1.294 1.00 0.00 N ATOM 877 CA THR A 63 5.651 7.339 -2.210 1.00 0.00 C ATOM 878 C THR A 63 5.141 6.114 -2.963 1.00 0.00 C ATOM 879 O THR A 63 5.859 5.127 -3.122 1.00 0.00 O ATOM 880 CB THR A 63 6.130 8.399 -3.204 1.00 0.00 C ATOM 881 OG1 THR A 63 7.524 8.284 -3.427 1.00 0.00 O ATOM 882 CG2 THR A 63 5.853 9.815 -2.747 1.00 0.00 C ATOM 0 H THR A 63 7.333 6.230 -1.626 1.00 0.00 H new ATOM 0 HA THR A 63 4.830 7.746 -1.620 1.00 0.00 H new ATOM 0 HB THR A 63 5.568 8.213 -4.119 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.811 8.969 -4.066 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.217 10.517 -3.497 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.780 9.951 -2.614 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.362 9.998 -1.801 1.00 0.00 H new ATOM 890 N LEU A 64 3.897 6.185 -3.426 1.00 0.00 N ATOM 891 CA LEU A 64 3.289 5.083 -4.164 1.00 0.00 C ATOM 892 C LEU A 64 3.218 5.399 -5.655 1.00 0.00 C ATOM 893 O LEU A 64 2.712 6.448 -6.054 1.00 0.00 O ATOM 894 CB LEU A 64 1.888 4.791 -3.625 1.00 0.00 C ATOM 895 CG LEU A 64 1.208 3.558 -4.224 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.502 2.326 -3.382 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.293 3.780 -4.342 1.00 0.00 C ATOM 0 H LEU A 64 3.289 6.995 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 64 3.914 4.200 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.950 4.664 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.256 5.660 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 64 1.610 3.395 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.011 1.458 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.578 2.156 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.128 2.479 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.760 2.893 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.712 3.969 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.484 4.637 -4.987 1.00 0.00 H new ATOM 909 N ASP A 65 3.727 4.484 -6.474 1.00 0.00 N ATOM 910 CA ASP A 65 3.722 4.665 -7.921 1.00 0.00 C ATOM 911 C ASP A 65 3.128 3.446 -8.622 1.00 0.00 C ATOM 912 O ASP A 65 3.167 2.334 -8.096 1.00 0.00 O ATOM 913 CB ASP A 65 5.144 4.919 -8.428 1.00 0.00 C ATOM 914 CG ASP A 65 5.388 6.379 -8.756 1.00 0.00 C ATOM 915 OD1 ASP A 65 4.745 6.891 -9.697 1.00 0.00 O ATOM 916 OD2 ASP A 65 6.221 7.010 -8.072 1.00 0.00 O ATOM 0 H ASP A 65 4.148 3.610 -6.160 1.00 0.00 H new ATOM 0 HA ASP A 65 3.101 5.530 -8.152 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.860 4.595 -7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.323 4.315 -9.317 1.00 0.00 H new ATOM 921 N ILE A 66 2.579 3.665 -9.813 1.00 0.00 N ATOM 922 CA ILE A 66 1.979 2.589 -10.589 1.00 0.00 C ATOM 923 C ILE A 66 3.041 1.857 -11.407 1.00 0.00 C ATOM 924 O ILE A 66 3.998 2.466 -11.888 1.00 0.00 O ATOM 925 CB ILE A 66 0.877 3.135 -11.527 1.00 0.00 C ATOM 926 CG1 ILE A 66 -0.422 3.354 -10.747 1.00 0.00 C ATOM 927 CG2 ILE A 66 0.641 2.198 -12.705 1.00 0.00 C ATOM 928 CD1 ILE A 66 -1.128 2.070 -10.366 1.00 0.00 C ATOM 0 H ILE A 66 2.538 4.580 -10.261 1.00 0.00 H new ATOM 0 HA ILE A 66 1.526 1.886 -9.890 1.00 0.00 H new ATOM 0 HB ILE A 66 1.215 4.092 -11.925 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.201 3.919 -9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.097 3.965 -11.347 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.139 2.609 -13.346 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.563 2.093 -13.277 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.330 1.221 -12.336 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.039 2.305 -9.816 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.382 1.513 -11.268 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.472 1.466 -9.739 1.00 0.00 H new ATOM 940 N GLU A 67 2.865 0.550 -11.561 1.00 0.00 N ATOM 941 CA GLU A 67 3.806 -0.265 -12.320 1.00 0.00 C ATOM 942 C GLU A 67 3.084 -1.395 -13.046 1.00 0.00 C ATOM 943 O GLU A 67 2.206 -2.048 -12.481 1.00 0.00 O ATOM 944 CB GLU A 67 4.881 -0.837 -11.392 1.00 0.00 C ATOM 945 CG GLU A 67 6.237 -0.169 -11.549 1.00 0.00 C ATOM 946 CD GLU A 67 7.381 -1.165 -11.560 1.00 0.00 C ATOM 947 OE1 GLU A 67 7.443 -1.987 -12.497 1.00 0.00 O ATOM 948 OE2 GLU A 67 8.213 -1.122 -10.630 1.00 0.00 O ATOM 0 H GLU A 67 2.079 0.031 -11.170 1.00 0.00 H new ATOM 0 HA GLU A 67 4.283 0.371 -13.065 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.551 -0.732 -10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.986 -1.904 -11.586 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.250 0.404 -12.476 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.385 0.540 -10.734 1.00 0.00 H new ATOM 955 N GLY A 68 3.461 -1.622 -14.300 1.00 0.00 N ATOM 956 CA GLY A 68 2.839 -2.674 -15.082 1.00 0.00 C ATOM 957 C GLY A 68 1.690 -2.166 -15.930 1.00 0.00 C ATOM 958 O GLY A 68 1.252 -1.026 -15.775 1.00 0.00 O ATOM 0 H GLY A 68 4.186 -1.096 -14.788 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.588 -3.133 -15.728 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.475 -3.453 -14.412 1.00 0.00 H new ATOM 962 N ASP A 69 1.201 -3.014 -16.828 1.00 0.00 N ATOM 963 CA ASP A 69 0.094 -2.647 -17.705 1.00 0.00 C ATOM 964 C ASP A 69 -1.242 -2.724 -16.970 1.00 0.00 C ATOM 965 O ASP A 69 -2.233 -2.136 -17.403 1.00 0.00 O ATOM 966 CB ASP A 69 0.068 -3.559 -18.933 1.00 0.00 C ATOM 967 CG ASP A 69 -0.211 -2.797 -20.214 1.00 0.00 C ATOM 968 OD1 ASP A 69 -0.743 -1.670 -20.130 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.102 -3.328 -21.300 1.00 0.00 O ATOM 0 H ASP A 69 1.554 -3.961 -16.968 1.00 0.00 H new ATOM 0 HA ASP A 69 0.247 -1.617 -18.026 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.025 -4.073 -19.021 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.694 -4.326 -18.796 1.00 0.00 H new ATOM 974 N ASP A 70 -1.266 -3.454 -15.857 1.00 0.00 N ATOM 975 CA ASP A 70 -2.484 -3.605 -15.069 1.00 0.00 C ATOM 976 C ASP A 70 -2.659 -2.447 -14.087 1.00 0.00 C ATOM 977 O ASP A 70 -3.700 -2.325 -13.442 1.00 0.00 O ATOM 978 CB ASP A 70 -2.460 -4.933 -14.310 1.00 0.00 C ATOM 979 CG ASP A 70 -3.168 -6.042 -15.062 1.00 0.00 C ATOM 980 OD1 ASP A 70 -4.398 -6.182 -14.894 1.00 0.00 O ATOM 981 OD2 ASP A 70 -2.494 -6.769 -15.821 1.00 0.00 O ATOM 0 H ASP A 70 -0.457 -3.949 -15.482 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.330 -3.597 -15.756 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.426 -5.225 -14.127 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.931 -4.800 -13.336 1.00 0.00 H new ATOM 986 N ASN A 71 -1.636 -1.602 -13.972 1.00 0.00 N ATOM 987 CA ASN A 71 -1.683 -0.462 -13.063 1.00 0.00 C ATOM 988 C ASN A 71 -1.719 -0.930 -11.618 1.00 0.00 C ATOM 989 O ASN A 71 -2.755 -0.867 -10.955 1.00 0.00 O ATOM 990 CB ASN A 71 -2.899 0.419 -13.362 1.00 0.00 C ATOM 991 CG ASN A 71 -2.953 0.857 -14.811 1.00 0.00 C ATOM 992 OD1 ASN A 71 -2.385 1.883 -15.184 1.00 0.00 O ATOM 993 ND2 ASN A 71 -3.640 0.078 -15.639 1.00 0.00 N ATOM 0 H ASN A 71 -0.766 -1.687 -14.497 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.780 0.129 -13.216 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.809 -0.128 -13.116 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.873 1.299 -12.720 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.712 0.322 -16.627 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.096 -0.764 -15.287 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.579 -1.406 -11.139 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.471 -1.894 -9.774 1.00 0.00 C ATOM 1002 C ILE A 72 0.224 -0.870 -8.877 1.00 0.00 C ATOM 1003 O ILE A 72 1.408 -0.586 -9.052 1.00 0.00 O ATOM 1004 CB ILE A 72 0.304 -3.223 -9.708 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.105 -4.035 -10.992 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.145 -4.025 -8.499 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.326 -4.472 -11.214 1.00 0.00 C ATOM 0 H ILE A 72 0.285 -1.464 -11.677 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.488 -2.058 -9.418 1.00 0.00 H new ATOM 0 HB ILE A 72 1.367 -3.000 -9.611 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.431 -3.438 -11.844 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.745 -4.917 -10.958 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.408 -4.964 -8.459 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.046 -3.453 -7.591 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.212 -4.235 -8.577 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.393 -5.042 -12.141 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.649 -5.096 -10.381 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.968 -3.594 -11.281 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.504 -0.302 -7.897 1.00 0.00 N ATOM 1020 CA PRO A 73 0.058 0.691 -6.974 1.00 0.00 C ATOM 1021 C PRO A 73 1.171 0.109 -6.110 1.00 0.00 C ATOM 1022 O PRO A 73 0.909 -0.608 -5.144 1.00 0.00 O ATOM 1023 CB PRO A 73 -1.138 1.098 -6.104 1.00 0.00 C ATOM 1024 CG PRO A 73 -2.106 -0.027 -6.228 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.921 -0.580 -7.612 1.00 0.00 C ATOM 0 HA PRO A 73 0.514 1.526 -7.506 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.838 1.248 -5.067 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.576 2.035 -6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.916 -0.791 -5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.129 0.320 -6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.138 -1.647 -7.652 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.580 -0.094 -8.332 1.00 0.00 H new ATOM 1033 N VAL A 74 2.413 0.420 -6.464 1.00 0.00 N ATOM 1034 CA VAL A 74 3.566 -0.077 -5.722 1.00 0.00 C ATOM 1035 C VAL A 74 4.206 1.029 -4.889 1.00 0.00 C ATOM 1036 O VAL A 74 4.521 2.103 -5.400 1.00 0.00 O ATOM 1037 CB VAL A 74 4.628 -0.675 -6.664 1.00 0.00 C ATOM 1038 CG1 VAL A 74 5.755 -1.313 -5.866 1.00 0.00 C ATOM 1039 CG2 VAL A 74 3.997 -1.687 -7.609 1.00 0.00 C ATOM 0 H VAL A 74 2.647 1.014 -7.260 1.00 0.00 H new ATOM 0 HA VAL A 74 3.198 -0.860 -5.059 1.00 0.00 H new ATOM 0 HB VAL A 74 5.050 0.133 -7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.495 -1.729 -6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.227 -0.559 -5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.352 -2.108 -5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.763 -2.098 -8.266 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.545 -2.493 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.230 -1.196 -8.208 1.00 0.00 H new ATOM 1049 N LEU A 75 4.400 0.753 -3.603 1.00 0.00 N ATOM 1050 CA LEU A 75 5.008 1.719 -2.696 1.00 0.00 C ATOM 1051 C LEU A 75 6.520 1.534 -2.650 1.00 0.00 C ATOM 1052 O LEU A 75 7.014 0.487 -2.234 1.00 0.00 O ATOM 1053 CB LEU A 75 4.419 1.575 -1.291 1.00 0.00 C ATOM 1054 CG LEU A 75 5.027 2.497 -0.232 1.00 0.00 C ATOM 1055 CD1 LEU A 75 5.038 3.938 -0.720 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.259 2.381 1.077 1.00 0.00 C ATOM 0 H LEU A 75 4.145 -0.132 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 75 4.791 2.720 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.347 1.765 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.545 0.542 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 75 6.057 2.188 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.474 4.578 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.631 4.009 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.017 4.261 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.704 3.043 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.219 2.664 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.303 1.352 1.435 1.00 0.00 H new ATOM 1068 N ARG A 76 7.250 2.556 -3.084 1.00 0.00 N ATOM 1069 CA ARG A 76 8.707 2.505 -3.098 1.00 0.00 C ATOM 1070 C ARG A 76 9.302 3.539 -2.148 1.00 0.00 C ATOM 1071 O ARG A 76 8.899 4.702 -2.148 1.00 0.00 O ATOM 1072 CB ARG A 76 9.232 2.737 -4.516 1.00 0.00 C ATOM 1073 CG ARG A 76 9.407 1.458 -5.317 1.00 0.00 C ATOM 1074 CD ARG A 76 9.425 1.735 -6.812 1.00 0.00 C ATOM 1075 NE ARG A 76 8.077 1.810 -7.371 1.00 0.00 N ATOM 1076 CZ ARG A 76 7.817 2.120 -8.639 1.00 0.00 C ATOM 1077 NH1 ARG A 76 8.808 2.385 -9.482 1.00 0.00 N ATOM 1078 NH2 ARG A 76 6.562 2.166 -9.066 1.00 0.00 N ATOM 0 H ARG A 76 6.856 3.430 -3.431 1.00 0.00 H new ATOM 0 HA ARG A 76 9.012 1.514 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.544 3.396 -5.046 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.190 3.254 -4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.336 0.969 -5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.597 0.767 -5.084 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.948 2.672 -7.001 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.985 0.949 -7.320 1.00 0.00 H new ATOM 0 HE ARG A 76 7.289 1.613 -6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.775 2.352 -9.159 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.602 2.622 -10.453 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.797 1.964 -8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.362 2.404 -10.038 1.00 0.00 H new ATOM 1092 N ALA A 77 10.266 3.107 -1.341 1.00 0.00 N ATOM 1093 CA ALA A 77 10.920 3.995 -0.388 1.00 0.00 C ATOM 1094 C ALA A 77 12.196 3.367 0.163 1.00 0.00 C ATOM 1095 O ALA A 77 12.306 2.144 0.257 1.00 0.00 O ATOM 1096 CB ALA A 77 9.970 4.343 0.747 1.00 0.00 C ATOM 0 H ALA A 77 10.611 2.147 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 77 11.194 4.910 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.472 5.007 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.088 4.841 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.668 3.431 1.261 1.00 0.00 H new ATOM 1102 N GLU A 78 13.156 4.210 0.527 1.00 0.00 N ATOM 1103 CA GLU A 78 14.424 3.736 1.071 1.00 0.00 C ATOM 1104 C GLU A 78 14.264 3.316 2.528 1.00 0.00 C ATOM 1105 O GLU A 78 14.038 4.151 3.403 1.00 0.00 O ATOM 1106 CB GLU A 78 15.492 4.825 0.955 1.00 0.00 C ATOM 1107 CG GLU A 78 15.838 5.188 -0.479 1.00 0.00 C ATOM 1108 CD GLU A 78 16.156 6.661 -0.648 1.00 0.00 C ATOM 1109 OE1 GLU A 78 16.805 7.235 0.251 1.00 0.00 O ATOM 1110 OE2 GLU A 78 15.755 7.240 -1.679 1.00 0.00 O ATOM 0 H GLU A 78 13.081 5.225 0.455 1.00 0.00 H new ATOM 0 HA GLU A 78 14.739 2.867 0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.145 5.719 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.396 4.491 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.694 4.596 -0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.003 4.924 -1.128 1.00 0.00 H new ATOM 1117 N LEU A 79 14.378 2.016 2.781 1.00 0.00 N ATOM 1118 CA LEU A 79 14.242 1.485 4.132 1.00 0.00 C ATOM 1119 C LEU A 79 15.608 1.254 4.771 1.00 0.00 C ATOM 1120 O LEU A 79 16.582 0.945 4.085 1.00 0.00 O ATOM 1121 CB LEU A 79 13.455 0.174 4.111 1.00 0.00 C ATOM 1122 CG LEU A 79 11.940 0.326 3.975 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.305 -1.000 3.585 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.339 0.847 5.272 1.00 0.00 C ATOM 0 H LEU A 79 14.564 1.311 2.068 1.00 0.00 H new ATOM 0 HA LEU A 79 13.701 2.221 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.818 -0.436 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.668 -0.374 5.029 1.00 0.00 H new ATOM 0 HG LEU A 79 11.734 1.050 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.226 -0.874 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.714 -1.333 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.519 -1.745 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.260 0.949 5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.554 0.147 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.772 1.819 5.509 1.00 0.00 H new ATOM 1136 N ASN A 80 15.667 1.398 6.091 1.00 0.00 N ATOM 1137 CA ASN A 80 16.907 1.199 6.830 1.00 0.00 C ATOM 1138 C ASN A 80 16.945 -0.198 7.450 1.00 0.00 C ATOM 1139 O ASN A 80 16.208 -0.484 8.394 1.00 0.00 O ATOM 1140 CB ASN A 80 17.048 2.258 7.924 1.00 0.00 C ATOM 1141 CG ASN A 80 17.660 3.545 7.407 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.845 3.593 7.075 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.853 4.597 7.336 1.00 0.00 N ATOM 0 H ASN A 80 14.868 1.652 6.671 1.00 0.00 H new ATOM 0 HA ASN A 80 17.740 1.295 6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 80 16.067 2.470 8.349 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.666 1.863 8.730 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.208 5.490 6.996 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.878 4.512 7.622 1.00 0.00 H new ATOM 1150 N PRO A 81 17.802 -1.093 6.926 1.00 0.00 N ATOM 1151 CA PRO A 81 17.921 -2.461 7.435 1.00 0.00 C ATOM 1152 C PRO A 81 18.653 -2.524 8.770 1.00 0.00 C ATOM 1153 O PRO A 81 19.271 -1.549 9.199 1.00 0.00 O ATOM 1154 CB PRO A 81 18.732 -3.170 6.351 1.00 0.00 C ATOM 1155 CG PRO A 81 19.555 -2.093 5.736 1.00 0.00 C ATOM 1156 CD PRO A 81 18.718 -0.844 5.797 1.00 0.00 C ATOM 0 HA PRO A 81 16.946 -2.911 7.625 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.358 -3.955 6.774 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.082 -3.642 5.614 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.492 -1.961 6.277 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.813 -2.339 4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.331 0.041 5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.173 -0.681 4.867 1.00 0.00 H new ATOM 1164 N MET A 82 18.580 -3.679 9.419 1.00 0.00 N ATOM 1165 CA MET A 82 19.237 -3.878 10.705 1.00 0.00 C ATOM 1166 C MET A 82 20.743 -4.041 10.528 1.00 0.00 C ATOM 1167 O MET A 82 21.517 -3.780 11.449 1.00 0.00 O ATOM 1168 CB MET A 82 18.660 -5.107 11.410 1.00 0.00 C ATOM 1169 CG MET A 82 18.649 -6.356 10.543 1.00 0.00 C ATOM 1170 SD MET A 82 19.025 -7.853 11.476 1.00 0.00 S ATOM 1171 CE MET A 82 19.966 -8.779 10.266 1.00 0.00 C ATOM 0 H MET A 82 18.072 -4.494 9.075 1.00 0.00 H new ATOM 0 HA MET A 82 19.055 -2.995 11.318 1.00 0.00 H new ATOM 0 HB2 MET A 82 19.241 -5.305 12.311 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.641 -4.888 11.730 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.670 -6.460 10.075 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.376 -6.242 9.739 1.00 0.00 H new ATOM 0 HE1 MET A 82 20.271 -9.733 10.695 1.00 0.00 H new ATOM 0 HE2 MET A 82 19.350 -8.958 9.385 1.00 0.00 H new ATOM 0 HE3 MET A 82 20.851 -8.210 9.980 1.00 0.00 H new ATOM 1181 N ASP A 83 21.154 -4.474 9.339 1.00 0.00 N ATOM 1182 CA ASP A 83 22.569 -4.670 9.046 1.00 0.00 C ATOM 1183 C ASP A 83 23.273 -3.332 8.847 1.00 0.00 C ATOM 1184 O ASP A 83 24.383 -3.124 9.337 1.00 0.00 O ATOM 1185 CB ASP A 83 22.737 -5.539 7.797 1.00 0.00 C ATOM 1186 CG ASP A 83 22.790 -7.018 8.125 1.00 0.00 C ATOM 1187 OD1 ASP A 83 23.582 -7.401 9.012 1.00 0.00 O ATOM 1188 OD2 ASP A 83 22.041 -7.793 7.495 1.00 0.00 O ATOM 0 H ASP A 83 20.528 -4.695 8.565 1.00 0.00 H new ATOM 0 HA ASP A 83 23.024 -5.177 9.897 1.00 0.00 H new ATOM 0 HB2 ASP A 83 21.910 -5.351 7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 83 23.651 -5.252 7.278 1.00 0.00 H new ATOM 1193 N GLY A 84 22.620 -2.428 8.125 1.00 0.00 N ATOM 1194 CA GLY A 84 23.198 -1.121 7.874 1.00 0.00 C ATOM 1195 C GLY A 84 23.010 -0.670 6.439 1.00 0.00 C ATOM 1196 O GLY A 84 22.770 -1.487 5.551 1.00 0.00 O ATOM 0 H GLY A 84 21.701 -2.577 7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.743 -0.391 8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.262 -1.147 8.107 1.00 0.00 H new ATOM 1200 N ASP A 85 23.118 0.636 6.213 1.00 0.00 N ATOM 1201 CA ASP A 85 22.958 1.196 4.876 1.00 0.00 C ATOM 1202 C ASP A 85 21.542 0.955 4.353 1.00 0.00 C ATOM 1203 O ASP A 85 21.181 -0.175 4.023 1.00 0.00 O ATOM 1204 CB ASP A 85 23.983 0.583 3.917 1.00 0.00 C ATOM 1205 CG ASP A 85 24.824 1.634 3.220 1.00 0.00 C ATOM 1206 OD1 ASP A 85 25.104 2.679 3.843 1.00 0.00 O ATOM 1207 OD2 ASP A 85 25.202 1.411 2.051 1.00 0.00 O ATOM 0 H ASP A 85 23.316 1.325 6.938 1.00 0.00 H new ATOM 0 HA ASP A 85 23.126 2.271 4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.636 -0.092 4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.464 -0.017 3.170 1.00 0.00 H new ATOM 1212 N PRO A 86 20.715 2.015 4.267 1.00 0.00 N ATOM 1213 CA PRO A 86 19.337 1.898 3.779 1.00 0.00 C ATOM 1214 C PRO A 86 19.279 1.516 2.304 1.00 0.00 C ATOM 1215 O PRO A 86 20.113 1.946 1.508 1.00 0.00 O ATOM 1216 CB PRO A 86 18.756 3.298 3.993 1.00 0.00 C ATOM 1217 CG PRO A 86 19.938 4.203 4.026 1.00 0.00 C ATOM 1218 CD PRO A 86 21.054 3.402 4.635 1.00 0.00 C ATOM 0 HA PRO A 86 18.787 1.114 4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 86 18.073 3.569 3.188 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.190 3.353 4.923 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.201 4.539 3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.730 5.095 4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.025 3.698 4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.099 3.532 5.716 1.00 0.00 H new ATOM 1226 N VAL A 87 18.288 0.705 1.946 1.00 0.00 N ATOM 1227 CA VAL A 87 18.124 0.266 0.566 1.00 0.00 C ATOM 1228 C VAL A 87 16.719 0.565 0.057 1.00 0.00 C ATOM 1229 O VAL A 87 15.755 0.550 0.822 1.00 0.00 O ATOM 1230 CB VAL A 87 18.400 -1.242 0.419 1.00 0.00 C ATOM 1231 CG1 VAL A 87 19.892 -1.523 0.500 1.00 0.00 C ATOM 1232 CG2 VAL A 87 17.643 -2.029 1.478 1.00 0.00 C ATOM 0 H VAL A 87 17.588 0.340 2.592 1.00 0.00 H new ATOM 0 HA VAL A 87 18.849 0.820 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 87 18.047 -1.563 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 87 20.067 -2.594 0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.406 -0.990 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 87 20.274 -1.187 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.850 -3.092 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.962 -1.706 2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 87 16.573 -1.853 1.367 1.00 0.00 H new ATOM 1242 N GLU A 88 16.610 0.837 -1.239 1.00 0.00 N ATOM 1243 CA GLU A 88 15.322 1.140 -1.850 1.00 0.00 C ATOM 1244 C GLU A 88 14.401 -0.075 -1.804 1.00 0.00 C ATOM 1245 O GLU A 88 14.665 -1.091 -2.446 1.00 0.00 O ATOM 1246 CB GLU A 88 15.515 1.599 -3.298 1.00 0.00 C ATOM 1247 CG GLU A 88 15.188 3.067 -3.518 1.00 0.00 C ATOM 1248 CD GLU A 88 16.236 3.780 -4.350 1.00 0.00 C ATOM 1249 OE1 GLU A 88 16.204 3.641 -5.591 1.00 0.00 O ATOM 1250 OE2 GLU A 88 17.089 4.477 -3.761 1.00 0.00 O ATOM 0 H GLU A 88 17.398 0.854 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 88 14.858 1.946 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.548 1.417 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.885 0.993 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.220 3.150 -4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.097 3.564 -2.552 1.00 0.00 H new ATOM 1257 N ALA A 89 13.318 0.039 -1.043 1.00 0.00 N ATOM 1258 CA ALA A 89 12.356 -1.047 -0.916 1.00 0.00 C ATOM 1259 C ALA A 89 11.089 -0.743 -1.707 1.00 0.00 C ATOM 1260 O ALA A 89 10.667 0.409 -1.800 1.00 0.00 O ATOM 1261 CB ALA A 89 12.022 -1.289 0.548 1.00 0.00 C ATOM 0 H ALA A 89 13.085 0.874 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 89 12.805 -1.952 -1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.302 -2.103 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.930 -1.554 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.594 -0.383 0.978 1.00 0.00 H new ATOM 1267 N ASN A 90 10.488 -1.781 -2.278 1.00 0.00 N ATOM 1268 CA ASN A 90 9.270 -1.617 -3.062 1.00 0.00 C ATOM 1269 C ASN A 90 8.264 -2.721 -2.749 1.00 0.00 C ATOM 1270 O ASN A 90 8.598 -3.905 -2.776 1.00 0.00 O ATOM 1271 CB ASN A 90 9.597 -1.607 -4.561 1.00 0.00 C ATOM 1272 CG ASN A 90 9.902 -2.989 -5.110 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.182 -3.502 -5.966 1.00 0.00 O ATOM 1274 ND2 ASN A 90 10.973 -3.600 -4.617 1.00 0.00 N ATOM 0 H ASN A 90 10.823 -2.742 -2.213 1.00 0.00 H new ATOM 0 HA ASN A 90 8.821 -0.661 -2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.755 -1.182 -5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.453 -0.955 -4.736 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.226 -4.531 -4.947 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.543 -3.138 -3.908 1.00 0.00 H new ATOM 1281 N VAL A 91 7.031 -2.324 -2.456 1.00 0.00 N ATOM 1282 CA VAL A 91 5.977 -3.279 -2.142 1.00 0.00 C ATOM 1283 C VAL A 91 4.685 -2.927 -2.872 1.00 0.00 C ATOM 1284 O VAL A 91 4.239 -1.780 -2.847 1.00 0.00 O ATOM 1285 CB VAL A 91 5.700 -3.342 -0.627 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.178 -2.006 -0.119 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.720 -4.461 -0.309 1.00 0.00 C ATOM 0 H VAL A 91 6.737 -1.347 -2.430 1.00 0.00 H new ATOM 0 HA VAL A 91 6.327 -4.256 -2.475 1.00 0.00 H new ATOM 0 HB VAL A 91 6.639 -3.555 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.989 -2.073 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.919 -1.230 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.251 -1.757 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.537 -4.490 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.781 -4.282 -0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.139 -5.414 -0.631 1.00 0.00 H new ATOM 1297 N ASN A 92 4.089 -3.921 -3.518 1.00 0.00 N ATOM 1298 CA ASN A 92 2.849 -3.719 -4.252 1.00 0.00 C ATOM 1299 C ASN A 92 1.647 -3.899 -3.327 1.00 0.00 C ATOM 1300 O ASN A 92 1.316 -5.017 -2.936 1.00 0.00 O ATOM 1301 CB ASN A 92 2.781 -4.695 -5.435 1.00 0.00 C ATOM 1302 CG ASN A 92 1.363 -5.016 -5.868 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.466 -4.179 -5.773 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.156 -6.237 -6.346 1.00 0.00 N ATOM 0 H ASN A 92 4.446 -4.876 -3.548 1.00 0.00 H new ATOM 0 HA ASN A 92 2.825 -2.700 -4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.324 -4.270 -6.279 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.289 -5.620 -5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.223 -6.513 -6.653 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.930 -6.899 -6.407 1.00 0.00 H new ATOM 1311 N LEU A 93 0.997 -2.790 -2.980 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.168 -2.828 -2.101 1.00 0.00 C ATOM 1313 C LEU A 93 -1.170 -3.879 -2.571 1.00 0.00 C ATOM 1314 O LEU A 93 -1.786 -4.572 -1.763 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.840 -1.454 -2.049 1.00 0.00 C ATOM 1316 CG LEU A 93 0.008 -0.341 -1.431 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.784 0.956 -1.360 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.494 -0.747 -0.048 1.00 0.00 C ATOM 0 H LEU A 93 1.258 -1.855 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 93 0.172 -3.097 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.113 -1.161 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.767 -1.541 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 93 0.878 -0.177 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.165 1.737 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.083 1.255 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.673 0.807 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.096 0.057 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.363 -0.938 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.099 -1.651 -0.126 1.00 0.00 H new ATOM 1330 N SER A 94 -1.316 -3.997 -3.886 1.00 0.00 N ATOM 1331 CA SER A 94 -2.232 -4.967 -4.475 1.00 0.00 C ATOM 1332 C SER A 94 -1.866 -6.396 -4.072 1.00 0.00 C ATOM 1333 O SER A 94 -2.649 -7.322 -4.268 1.00 0.00 O ATOM 1334 CB SER A 94 -2.231 -4.841 -5.999 1.00 0.00 C ATOM 1335 OG SER A 94 -2.170 -3.483 -6.398 1.00 0.00 O ATOM 0 H SER A 94 -0.810 -3.431 -4.567 1.00 0.00 H new ATOM 0 HA SER A 94 -3.231 -4.752 -4.096 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.380 -5.383 -6.411 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.131 -5.303 -6.406 1.00 0.00 H new ATOM 0 HG SER A 94 -2.648 -2.929 -5.746 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.671 -6.574 -3.520 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.216 -7.894 -3.104 1.00 0.00 C ATOM 1343 C GLU A 95 -1.115 -8.472 -2.016 1.00 0.00 C ATOM 1344 O GLU A 95 -1.501 -9.639 -2.075 1.00 0.00 O ATOM 1345 CB GLU A 95 1.224 -7.827 -2.594 1.00 0.00 C ATOM 1346 CG GLU A 95 2.259 -7.727 -3.703 1.00 0.00 C ATOM 1347 CD GLU A 95 3.305 -8.822 -3.626 1.00 0.00 C ATOM 1348 OE1 GLU A 95 2.950 -9.957 -3.245 1.00 0.00 O ATOM 1349 OE2 GLU A 95 4.480 -8.545 -3.948 1.00 0.00 O ATOM 0 H GLU A 95 -0.002 -5.823 -3.351 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.262 -8.547 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.327 -6.966 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.430 -8.714 -1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.757 -7.777 -4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.751 -6.756 -3.649 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.435 -7.655 -1.016 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.276 -8.103 0.089 1.00 0.00 C ATOM 1358 C ARG A 96 -3.259 -7.021 0.523 1.00 0.00 C ATOM 1359 O ARG A 96 -3.522 -6.853 1.715 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.404 -8.513 1.276 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.488 -9.687 0.980 1.00 0.00 C ATOM 1362 CD ARG A 96 -1.046 -10.979 1.549 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.509 -11.266 2.877 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.638 -12.440 3.491 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.286 -13.436 2.901 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.116 -12.617 4.697 1.00 0.00 N ATOM 0 H ARG A 96 -1.127 -6.685 -0.948 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.851 -8.961 -0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.800 -7.660 1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.048 -8.768 2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.359 -9.788 -0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.498 -9.497 1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.133 -10.912 1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.811 -11.804 0.876 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.006 -10.523 3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.688 -13.304 1.973 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.382 -14.334 3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.384 -11.854 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.214 -13.516 5.168 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.809 -6.294 -0.442 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.770 -5.241 -0.141 1.00 0.00 C ATOM 1382 C ILE A 97 -6.065 -5.465 -0.913 1.00 0.00 C ATOM 1383 O ILE A 97 -6.073 -5.456 -2.140 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.192 -3.850 -0.481 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -3.011 -3.533 0.440 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.263 -2.772 -0.366 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.406 -3.347 1.889 1.00 0.00 C ATOM 0 H ILE A 97 -3.607 -6.413 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.981 -5.277 0.928 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.841 -3.866 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.281 -4.340 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.519 -2.627 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.830 -1.802 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.076 -2.992 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.650 -2.750 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.519 -3.125 2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.113 -2.521 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.871 -4.260 2.259 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.159 -5.663 -0.187 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.439 -5.892 -0.832 1.00 0.00 C ATOM 1401 C GLY A 98 -9.466 -4.827 -0.501 1.00 0.00 C ATOM 1402 O GLY A 98 -9.165 -3.856 0.192 1.00 0.00 O ATOM 0 H GLY A 98 -7.183 -5.669 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.295 -5.927 -1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.823 -6.866 -0.530 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.684 -5.015 -0.999 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.767 -4.070 -0.754 1.00 0.00 C ATOM 1408 C ASN A 99 -13.050 -4.805 -0.376 1.00 0.00 C ATOM 1409 O ASN A 99 -13.730 -5.367 -1.234 1.00 0.00 O ATOM 1410 CB ASN A 99 -12.008 -3.205 -1.993 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.254 -4.034 -3.238 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.451 -4.898 -3.591 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.370 -3.775 -3.911 1.00 0.00 N ATOM 0 H ASN A 99 -10.946 -5.815 -1.576 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.476 -3.427 0.077 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.865 -2.555 -1.818 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.145 -2.559 -2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.589 -4.301 -4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.007 -3.050 -3.582 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.374 -4.797 0.913 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.575 -5.465 1.402 1.00 0.00 C ATOM 1422 C ASP A 100 -15.743 -4.488 1.495 1.00 0.00 C ATOM 1423 O ASP A 100 -15.699 -3.524 2.260 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.312 -6.095 2.771 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.499 -6.889 3.280 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -15.606 -8.084 2.935 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -16.322 -6.315 4.025 1.00 0.00 O ATOM 0 H ASP A 100 -12.823 -4.336 1.637 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.838 -6.250 0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.442 -6.749 2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.069 -5.311 3.488 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.786 -4.743 0.710 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.967 -3.887 0.702 1.00 0.00 C ATOM 1434 C CYS A 101 -17.587 -2.438 0.413 1.00 0.00 C ATOM 1435 O CYS A 101 -18.243 -1.508 0.883 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.698 -3.976 2.043 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.377 -3.307 2.013 1.00 0.00 S ATOM 0 H CYS A 101 -16.837 -5.536 0.071 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.631 -4.235 -0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.740 -5.020 2.353 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.119 -3.442 2.797 1.00 0.00 H new ATOM 0 HG CYS A 101 -20.364 -2.126 1.469 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.522 -2.254 -0.360 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.072 -0.916 -0.694 1.00 0.00 C ATOM 1445 C GLY A 102 -15.026 -0.394 0.273 1.00 0.00 C ATOM 1446 O GLY A 102 -14.328 0.575 -0.025 1.00 0.00 O ATOM 0 H GLY A 102 -15.963 -3.007 -0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.660 -0.916 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.927 -0.240 -0.699 1.00 0.00 H new ATOM 1450 N THR A 103 -14.915 -1.036 1.433 1.00 0.00 N ATOM 1451 CA THR A 103 -13.946 -0.627 2.443 1.00 0.00 C ATOM 1452 C THR A 103 -12.592 -1.282 2.193 1.00 0.00 C ATOM 1453 O THR A 103 -12.518 -2.417 1.723 1.00 0.00 O ATOM 1454 CB THR A 103 -14.449 -0.988 3.841 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.719 -0.408 4.082 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.521 -0.534 4.947 1.00 0.00 C ATOM 0 H THR A 103 -15.484 -1.841 1.696 1.00 0.00 H new ATOM 0 HA THR A 103 -13.825 0.454 2.377 1.00 0.00 H new ATOM 0 HB THR A 103 -14.502 -2.077 3.857 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.025 -0.652 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.937 -0.822 5.912 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.545 -1.002 4.818 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.411 0.550 4.908 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.524 -0.558 2.510 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.170 -1.067 2.320 1.00 0.00 C ATOM 1466 C LEU A 104 -9.839 -2.137 3.357 1.00 0.00 C ATOM 1467 O LEU A 104 -10.013 -1.928 4.557 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.159 0.081 2.405 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.519 0.482 1.075 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.628 -0.636 0.554 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.588 0.834 0.051 1.00 0.00 C ATOM 0 H LEU A 104 -11.569 0.383 2.900 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.111 -1.521 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.658 0.953 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.369 -0.202 3.100 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.902 1.365 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.181 -0.334 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.840 -0.841 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.224 -1.536 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.113 1.117 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.232 -0.029 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.185 1.667 0.421 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.358 -3.283 2.883 1.00 0.00 N ATOM 1484 CA ILE A 105 -9.001 -4.385 3.768 1.00 0.00 C ATOM 1485 C ILE A 105 -7.651 -4.982 3.382 1.00 0.00 C ATOM 1486 O ILE A 105 -7.082 -4.638 2.346 1.00 0.00 O ATOM 1487 CB ILE A 105 -10.068 -5.497 3.744 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.227 -6.056 2.329 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.396 -4.967 4.262 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.452 -7.552 2.292 1.00 0.00 C ATOM 0 H ILE A 105 -9.207 -3.472 1.892 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.941 -3.974 4.776 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.741 -6.306 4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.066 -5.558 1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.335 -5.816 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.140 -5.764 4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.273 -4.615 5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.729 -4.142 3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.556 -7.879 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.602 -8.059 2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.360 -7.797 2.843 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.143 -5.877 4.223 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.860 -6.520 3.973 1.00 0.00 C ATOM 1504 C PHE A 106 -6.018 -8.039 3.931 1.00 0.00 C ATOM 1505 O PHE A 106 -6.742 -8.621 4.740 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.850 -6.112 5.051 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.730 -7.095 5.242 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.869 -8.151 6.126 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.545 -6.964 4.538 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.844 -9.061 6.306 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.516 -7.870 4.713 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.666 -8.920 5.598 1.00 0.00 C ATOM 0 H PHE A 106 -7.602 -6.173 5.085 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.488 -6.192 3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.428 -5.142 4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.375 -5.987 5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.788 -8.265 6.681 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.423 -6.145 3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.964 -9.881 6.999 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.596 -7.757 4.159 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.864 -9.630 5.736 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.337 -8.674 2.983 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.401 -10.123 2.835 1.00 0.00 C ATOM 1524 C LEU A 107 -4.737 -10.821 4.018 1.00 0.00 C ATOM 1525 O LEU A 107 -3.511 -10.918 4.086 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.726 -10.552 1.531 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.652 -10.625 0.316 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -6.794 -11.596 0.573 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -6.191 -9.244 -0.026 1.00 0.00 C ATOM 0 H LEU A 107 -4.734 -8.207 2.305 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.451 -10.415 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.918 -9.854 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.270 -11.531 1.681 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.077 -10.990 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.442 -11.635 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.390 -12.589 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.369 -11.261 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.848 -9.314 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.751 -8.851 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.361 -8.575 -0.253 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.554 -11.304 4.949 1.00 0.00 N ATOM 1542 CA ALA A 108 -5.046 -11.992 6.130 1.00 0.00 C ATOM 1543 C ALA A 108 -5.527 -13.439 6.172 1.00 0.00 C ATOM 1544 O ALA A 108 -6.133 -13.889 5.177 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.470 -11.257 7.392 1.00 0.00 C ATOM 1546 OXT ALA A 108 -5.293 -14.109 7.199 1.00 0.00 O ATOM 0 H ALA A 108 -6.571 -11.231 4.908 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.957 -12.000 6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.084 -11.782 8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.072 -10.242 7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.558 -11.219 7.443 1.00 0.00 H new