USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 834 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 103 HIS : no HD1:sc= -0.0697 X(o=-0.31,f=-0.29) USER MOD Set 1.2: A 112 ASN : amide:sc= -0.237 K(o=-0.31,f=-1.4) USER MOD Set 2.1: A 101 THR OG1 : rot 180:sc=-0.00828 USER MOD Set 2.2: A 114 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 63 CYS SG : rot 180:sc= 0.838 USER MOD Set 3.2: A 90 CYS SG : rot -32:sc= 0.98 USER MOD Set 4.1: A 43 TYR OH : rot 33:sc= 1.29 USER MOD Set 4.2: A 46 THR OG1 : rot -107:sc= 2.3 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 160:sc= 0.907 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.37 K(o=1.4,f=-7.2!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -155:sc= -0.432 (180deg=-2.12!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0441 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -138:sc= 1.27 USER MOD Single : A 56 SER OG : rot 31:sc= 1.17 USER MOD Single : A 58 GLN : amide:sc= 0.438 K(o=0.44,f=-4!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0496 USER MOD Single : A 68 GLN : amide:sc= -0.82 X(o=-0.82,f=-0.88) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -168:sc= -0.227 (180deg=-0.227) USER MOD Single : A 75 ASN : amide:sc= -0.227 K(o=-0.23,f=-3.7!) USER MOD Single : A 76 THR OG1 : rot 90:sc= -0.149 USER MOD Single : A 78 SER OG : rot 160:sc= 0 USER MOD Single : A 82 MET CE :methyl -129:sc= -4.55! (180deg=-8.46!) USER MOD Single : A 83 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.87) USER MOD Single : A 94 THR OG1 : rot -36:sc= 0.0797 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 152:sc= -0.253 (180deg=-1.42) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.0277 F(o=-0.66,f=-0.028) USER MOD Single : A 108 GLN : amide:sc= 0.766 K(o=0.77,f=-0.00024) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 100:sc= 0.609 USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 27 -2.277 -16.415 9.037 1.00 0.00 N ATOM 26 CA GLU A 27 -1.353 -15.316 9.255 1.00 0.00 C ATOM 27 C GLU A 27 0.071 -15.864 9.275 1.00 0.00 C ATOM 28 O GLU A 27 0.384 -16.716 10.111 1.00 0.00 O ATOM 29 CB GLU A 27 -1.759 -14.655 10.581 1.00 0.00 C ATOM 30 CG GLU A 27 -0.742 -13.668 11.178 1.00 0.00 C ATOM 31 CD GLU A 27 -0.898 -13.460 12.685 1.00 0.00 C ATOM 32 OE1 GLU A 27 -0.021 -12.800 13.287 1.00 0.00 O ATOM 33 OE2 GLU A 27 -1.846 -13.994 13.307 1.00 0.00 O ATOM 0 HA GLU A 27 -1.389 -14.568 8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.701 -14.128 10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.947 -15.440 11.313 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.266 -14.030 10.973 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.844 -12.706 10.675 1.00 0.00 H new ATOM 41 N LEU A 28 0.928 -15.384 8.366 1.00 0.00 N ATOM 42 CA LEU A 28 2.337 -15.750 8.289 1.00 0.00 C ATOM 43 C LEU A 28 3.253 -14.606 7.804 1.00 0.00 C ATOM 44 O LEU A 28 3.931 -14.732 6.778 1.00 0.00 O ATOM 45 CB LEU A 28 2.513 -17.094 7.555 1.00 0.00 C ATOM 46 CG LEU A 28 1.814 -17.384 6.208 1.00 0.00 C ATOM 47 CD1 LEU A 28 0.310 -17.613 6.325 1.00 0.00 C ATOM 48 CD2 LEU A 28 2.013 -16.264 5.205 1.00 0.00 C ATOM 0 H LEU A 28 0.649 -14.715 7.649 1.00 0.00 H new ATOM 0 HA LEU A 28 2.694 -15.916 9.305 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.582 -17.225 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.199 -17.875 8.248 1.00 0.00 H new ATOM 0 HG LEU A 28 2.290 -18.303 5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.106 -17.810 5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.122 -18.467 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.161 -16.725 6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.503 -16.514 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.601 -15.338 5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.078 -16.134 5.012 1.00 0.00 H new ATOM 60 N PRO A 29 3.315 -13.474 8.529 1.00 0.00 N ATOM 61 CA PRO A 29 4.241 -12.402 8.206 1.00 0.00 C ATOM 62 C PRO A 29 5.674 -12.847 8.525 1.00 0.00 C ATOM 63 O PRO A 29 5.930 -13.329 9.629 1.00 0.00 O ATOM 64 CB PRO A 29 3.812 -11.203 9.045 1.00 0.00 C ATOM 65 CG PRO A 29 3.142 -11.835 10.269 1.00 0.00 C ATOM 66 CD PRO A 29 2.620 -13.185 9.773 1.00 0.00 C ATOM 0 HA PRO A 29 4.224 -12.141 7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.666 -10.588 9.329 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.122 -10.559 8.499 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.851 -11.961 11.087 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.331 -11.210 10.643 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.807 -13.966 10.510 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.542 -13.148 9.614 1.00 0.00 H new ATOM 74 N PRO A 30 6.620 -12.714 7.585 1.00 0.00 N ATOM 75 CA PRO A 30 8.045 -12.726 7.859 1.00 0.00 C ATOM 76 C PRO A 30 8.571 -11.297 8.105 1.00 0.00 C ATOM 77 O PRO A 30 9.762 -11.120 8.361 1.00 0.00 O ATOM 78 CB PRO A 30 8.645 -13.320 6.587 1.00 0.00 C ATOM 79 CG PRO A 30 7.784 -12.687 5.492 1.00 0.00 C ATOM 80 CD PRO A 30 6.419 -12.517 6.162 1.00 0.00 C ATOM 0 HA PRO A 30 8.302 -13.292 8.754 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.698 -13.062 6.476 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.580 -14.408 6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.192 -11.731 5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.722 -13.326 4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.012 -11.525 5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.704 -13.240 5.769 1.00 0.00 H new ATOM 88 N GLY A 31 7.726 -10.265 7.973 1.00 0.00 N ATOM 89 CA GLY A 31 8.099 -8.865 8.011 1.00 0.00 C ATOM 90 C GLY A 31 8.007 -8.310 6.603 1.00 0.00 C ATOM 91 O GLY A 31 7.045 -7.627 6.268 1.00 0.00 O ATOM 0 H GLY A 31 6.725 -10.401 7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.438 -8.314 8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.112 -8.752 8.398 1.00 0.00 H new ATOM 95 N THR A 32 8.972 -8.646 5.759 1.00 0.00 N ATOM 96 CA THR A 32 9.208 -7.965 4.494 1.00 0.00 C ATOM 97 C THR A 32 9.157 -8.998 3.377 1.00 0.00 C ATOM 98 O THR A 32 9.493 -10.167 3.582 1.00 0.00 O ATOM 99 CB THR A 32 10.560 -7.217 4.556 1.00 0.00 C ATOM 100 OG1 THR A 32 10.729 -6.629 5.833 1.00 0.00 O ATOM 101 CG2 THR A 32 10.672 -6.108 3.499 1.00 0.00 C ATOM 0 H THR A 32 9.623 -9.411 5.937 1.00 0.00 H new ATOM 0 HA THR A 32 8.441 -7.216 4.296 1.00 0.00 H new ATOM 0 HB THR A 32 11.334 -7.959 4.359 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.588 -6.159 5.865 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.641 -5.616 3.589 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.576 -6.543 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.879 -5.377 3.653 1.00 0.00 H new ATOM 109 N TYR A 33 8.734 -8.576 2.190 1.00 0.00 N ATOM 110 CA TYR A 33 8.914 -9.312 0.950 1.00 0.00 C ATOM 111 C TYR A 33 9.158 -8.308 -0.175 1.00 0.00 C ATOM 112 O TYR A 33 8.954 -7.110 0.026 1.00 0.00 O ATOM 113 CB TYR A 33 7.731 -10.270 0.704 1.00 0.00 C ATOM 114 CG TYR A 33 6.393 -9.758 0.188 1.00 0.00 C ATOM 115 CD1 TYR A 33 5.830 -8.525 0.579 1.00 0.00 C ATOM 116 CD2 TYR A 33 5.653 -10.604 -0.650 1.00 0.00 C ATOM 117 CE1 TYR A 33 4.559 -8.128 0.118 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.399 -10.204 -1.132 1.00 0.00 C ATOM 119 CZ TYR A 33 3.840 -8.967 -0.755 1.00 0.00 C ATOM 120 OH TYR A 33 2.608 -8.584 -1.204 1.00 0.00 O ATOM 0 H TYR A 33 8.245 -7.690 2.064 1.00 0.00 H new ATOM 0 HA TYR A 33 9.788 -9.961 1.001 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.076 -11.026 -0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.534 -10.780 1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.382 -7.875 1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.051 -11.569 -0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.138 -7.184 0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.854 -10.853 -1.801 1.00 0.00 H new ATOM 0 HH TYR A 33 2.388 -9.081 -2.020 1.00 0.00 H new ATOM 130 N ARG A 34 9.568 -8.763 -1.360 1.00 0.00 N ATOM 131 CA ARG A 34 9.653 -7.929 -2.557 1.00 0.00 C ATOM 132 C ARG A 34 8.842 -8.588 -3.656 1.00 0.00 C ATOM 133 O ARG A 34 8.807 -9.817 -3.725 1.00 0.00 O ATOM 134 CB ARG A 34 11.119 -7.702 -2.973 1.00 0.00 C ATOM 135 CG ARG A 34 11.228 -6.477 -3.895 1.00 0.00 C ATOM 136 CD ARG A 34 11.531 -6.773 -5.362 1.00 0.00 C ATOM 137 NE ARG A 34 12.960 -7.046 -5.611 1.00 0.00 N ATOM 138 CZ ARG A 34 13.459 -7.959 -6.463 1.00 0.00 C ATOM 139 NH1 ARG A 34 12.664 -8.804 -7.118 1.00 0.00 N ATOM 140 NH2 ARG A 34 14.772 -8.042 -6.658 1.00 0.00 N ATOM 0 H ARG A 34 9.853 -9.730 -1.516 1.00 0.00 H new ATOM 0 HA ARG A 34 9.240 -6.941 -2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.737 -7.555 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.500 -8.586 -3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.291 -5.922 -3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.009 -5.823 -3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.941 -7.632 -5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.217 -5.925 -5.971 1.00 0.00 H new ATOM 0 HE ARG A 34 13.634 -6.488 -5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.654 -8.767 -6.978 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.065 -9.488 -7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.402 -7.413 -6.161 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.149 -8.735 -7.305 1.00 0.00 H new ATOM 154 N VAL A 35 8.159 -7.776 -4.459 1.00 0.00 N ATOM 155 CA VAL A 35 7.109 -8.182 -5.388 1.00 0.00 C ATOM 156 C VAL A 35 6.934 -7.096 -6.457 1.00 0.00 C ATOM 157 O VAL A 35 7.519 -6.013 -6.329 1.00 0.00 O ATOM 158 CB VAL A 35 5.780 -8.312 -4.631 1.00 0.00 C ATOM 159 CG1 VAL A 35 5.805 -9.492 -3.687 1.00 0.00 C ATOM 160 CG2 VAL A 35 5.402 -7.097 -3.778 1.00 0.00 C ATOM 0 H VAL A 35 8.331 -6.771 -4.480 1.00 0.00 H new ATOM 0 HA VAL A 35 7.384 -9.133 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 35 5.044 -8.424 -5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.851 -9.560 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.974 -10.408 -4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.608 -9.361 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.449 -7.283 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.174 -6.925 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.314 -6.218 -4.416 1.00 0.00 H new ATOM 170 N ASP A 36 6.025 -7.319 -7.414 1.00 0.00 N ATOM 171 CA ASP A 36 5.381 -6.271 -8.185 1.00 0.00 C ATOM 172 C ASP A 36 4.170 -5.839 -7.361 1.00 0.00 C ATOM 173 O ASP A 36 3.313 -6.650 -6.990 1.00 0.00 O ATOM 174 CB ASP A 36 4.956 -6.778 -9.577 1.00 0.00 C ATOM 175 CG ASP A 36 5.871 -6.318 -10.716 1.00 0.00 C ATOM 176 OD1 ASP A 36 7.046 -5.952 -10.476 1.00 0.00 O ATOM 177 OD2 ASP A 36 5.383 -6.215 -11.863 1.00 0.00 O ATOM 0 H ASP A 36 5.716 -8.256 -7.673 1.00 0.00 H new ATOM 0 HA ASP A 36 6.059 -5.437 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.931 -7.868 -9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.941 -6.438 -9.781 1.00 0.00 H new ATOM 183 N ILE A 37 4.119 -4.555 -7.021 1.00 0.00 N ATOM 184 CA ILE A 37 2.989 -3.891 -6.402 1.00 0.00 C ATOM 185 C ILE A 37 1.999 -3.578 -7.534 1.00 0.00 C ATOM 186 O ILE A 37 2.391 -2.985 -8.548 1.00 0.00 O ATOM 187 CB ILE A 37 3.478 -2.619 -5.665 1.00 0.00 C ATOM 188 CG1 ILE A 37 4.415 -2.949 -4.475 1.00 0.00 C ATOM 189 CG2 ILE A 37 2.298 -1.814 -5.107 1.00 0.00 C ATOM 190 CD1 ILE A 37 5.908 -2.935 -4.810 1.00 0.00 C ATOM 0 H ILE A 37 4.904 -3.924 -7.179 1.00 0.00 H new ATOM 0 HA ILE A 37 2.497 -4.509 -5.651 1.00 0.00 H new ATOM 0 HB ILE A 37 4.024 -2.041 -6.410 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.230 -2.232 -3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.153 -3.933 -4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.672 -0.927 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.644 -1.512 -5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.738 -2.430 -4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.484 -3.177 -3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.114 -3.673 -5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.191 -1.945 -5.167 1.00 0.00 H new ATOM 202 N TYR A 38 0.730 -3.956 -7.354 1.00 0.00 N ATOM 203 CA TYR A 38 -0.291 -3.969 -8.414 1.00 0.00 C ATOM 204 C TYR A 38 -1.587 -3.314 -7.925 1.00 0.00 C ATOM 205 O TYR A 38 -2.114 -3.726 -6.894 1.00 0.00 O ATOM 206 CB TYR A 38 -0.548 -5.428 -8.826 1.00 0.00 C ATOM 207 CG TYR A 38 -0.111 -5.766 -10.236 1.00 0.00 C ATOM 208 CD1 TYR A 38 -0.974 -5.527 -11.320 1.00 0.00 C ATOM 209 CD2 TYR A 38 1.158 -6.321 -10.466 1.00 0.00 C ATOM 210 CE1 TYR A 38 -0.574 -5.841 -12.630 1.00 0.00 C ATOM 211 CE2 TYR A 38 1.569 -6.640 -11.773 1.00 0.00 C ATOM 212 CZ TYR A 38 0.698 -6.410 -12.862 1.00 0.00 C ATOM 213 OH TYR A 38 1.084 -6.733 -14.126 1.00 0.00 O ATOM 0 H TYR A 38 0.373 -4.268 -6.451 1.00 0.00 H new ATOM 0 HA TYR A 38 0.064 -3.399 -9.272 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.028 -6.086 -8.130 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.613 -5.638 -8.729 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.950 -5.100 -11.145 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.823 -6.504 -9.635 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.239 -5.647 -13.459 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.549 -7.060 -11.944 1.00 0.00 H new ATOM 0 HH TYR A 38 1.987 -7.112 -14.105 1.00 0.00 H new ATOM 223 N LEU A 39 -2.119 -2.311 -8.630 1.00 0.00 N ATOM 224 CA LEU A 39 -3.289 -1.536 -8.213 1.00 0.00 C ATOM 225 C LEU A 39 -4.295 -1.424 -9.343 1.00 0.00 C ATOM 226 O LEU A 39 -3.907 -1.084 -10.454 1.00 0.00 O ATOM 227 CB LEU A 39 -2.865 -0.129 -7.770 1.00 0.00 C ATOM 228 CG LEU A 39 -4.039 0.629 -7.106 1.00 0.00 C ATOM 229 CD1 LEU A 39 -3.726 0.934 -5.643 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.444 1.910 -7.852 1.00 0.00 C ATOM 0 H LEU A 39 -1.739 -2.009 -9.527 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.755 -2.057 -7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.033 -0.201 -7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.507 0.434 -8.632 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.899 -0.038 -7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.564 1.467 -5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.560 0.001 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.830 1.552 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.272 2.389 -7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.595 2.593 -7.889 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.752 1.658 -8.867 1.00 0.00 H new ATOM 242 N ASN A 40 -5.577 -1.661 -9.050 1.00 0.00 N ATOM 243 CA ASN A 40 -6.677 -1.683 -10.026 1.00 0.00 C ATOM 244 C ASN A 40 -6.359 -2.591 -11.202 1.00 0.00 C ATOM 245 O ASN A 40 -6.801 -2.370 -12.329 1.00 0.00 O ATOM 246 CB ASN A 40 -7.107 -0.255 -10.428 1.00 0.00 C ATOM 247 CG ASN A 40 -7.827 0.450 -9.291 1.00 0.00 C ATOM 248 OD1 ASN A 40 -8.465 -0.198 -8.467 1.00 0.00 O ATOM 249 ND2 ASN A 40 -7.727 1.759 -9.157 1.00 0.00 N ATOM 0 H ASN A 40 -5.891 -1.849 -8.098 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.552 -2.124 -9.548 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.229 0.322 -10.718 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.760 -0.302 -11.300 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.179 2.227 -8.371 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.198 2.303 -9.839 1.00 0.00 H new ATOM 256 N ASN A 41 -5.608 -3.655 -10.902 1.00 0.00 N ATOM 257 CA ASN A 41 -5.134 -4.659 -11.839 1.00 0.00 C ATOM 258 C ASN A 41 -4.185 -4.084 -12.897 1.00 0.00 C ATOM 259 O ASN A 41 -3.820 -4.783 -13.842 1.00 0.00 O ATOM 260 CB ASN A 41 -6.321 -5.448 -12.412 1.00 0.00 C ATOM 261 CG ASN A 41 -6.951 -6.306 -11.332 1.00 0.00 C ATOM 262 OD1 ASN A 41 -7.871 -5.895 -10.622 1.00 0.00 O ATOM 263 ND2 ASN A 41 -6.375 -7.472 -11.132 1.00 0.00 N ATOM 0 H ASN A 41 -5.302 -3.842 -9.947 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.513 -5.373 -11.298 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.062 -4.760 -12.818 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.985 -6.077 -13.236 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.687 -8.071 -10.367 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.616 -7.777 -11.742 1.00 0.00 H new ATOM 270 N GLY A 42 -3.708 -2.857 -12.698 1.00 0.00 N ATOM 271 CA GLY A 42 -2.602 -2.259 -13.426 1.00 0.00 C ATOM 272 C GLY A 42 -1.336 -2.334 -12.576 1.00 0.00 C ATOM 273 O GLY A 42 -1.400 -2.510 -11.353 1.00 0.00 O ATOM 0 H GLY A 42 -4.101 -2.231 -11.995 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.450 -2.780 -14.371 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.830 -1.221 -13.668 1.00 0.00 H new ATOM 277 N TYR A 43 -0.172 -2.226 -13.210 1.00 0.00 N ATOM 278 CA TYR A 43 1.102 -2.281 -12.506 1.00 0.00 C ATOM 279 C TYR A 43 1.376 -0.921 -11.857 1.00 0.00 C ATOM 280 O TYR A 43 0.877 0.107 -12.324 1.00 0.00 O ATOM 281 CB TYR A 43 2.195 -2.678 -13.507 1.00 0.00 C ATOM 282 CG TYR A 43 3.611 -2.467 -13.014 1.00 0.00 C ATOM 283 CD1 TYR A 43 4.096 -3.177 -11.899 1.00 0.00 C ATOM 284 CD2 TYR A 43 4.437 -1.527 -13.656 1.00 0.00 C ATOM 285 CE1 TYR A 43 5.398 -2.948 -11.427 1.00 0.00 C ATOM 286 CE2 TYR A 43 5.733 -1.276 -13.179 1.00 0.00 C ATOM 287 CZ TYR A 43 6.220 -1.981 -12.059 1.00 0.00 C ATOM 288 OH TYR A 43 7.477 -1.720 -11.615 1.00 0.00 O ATOM 0 H TYR A 43 -0.087 -2.099 -14.218 1.00 0.00 H new ATOM 0 HA TYR A 43 1.083 -3.026 -11.711 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.068 -3.729 -13.765 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.055 -2.105 -14.424 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.464 -3.900 -11.405 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.072 -0.995 -14.522 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.773 -3.508 -10.583 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.357 -0.543 -13.669 1.00 0.00 H new ATOM 0 HH TYR A 43 7.875 -2.541 -11.258 1.00 0.00 H new ATOM 298 N MET A 44 2.193 -0.904 -10.799 1.00 0.00 N ATOM 299 CA MET A 44 2.615 0.323 -10.132 1.00 0.00 C ATOM 300 C MET A 44 4.125 0.380 -9.977 1.00 0.00 C ATOM 301 O MET A 44 4.781 1.203 -10.611 1.00 0.00 O ATOM 302 CB MET A 44 1.914 0.464 -8.766 1.00 0.00 C ATOM 303 CG MET A 44 0.436 0.769 -8.918 1.00 0.00 C ATOM 304 SD MET A 44 0.224 2.326 -9.801 1.00 0.00 S ATOM 305 CE MET A 44 -1.388 2.012 -10.502 1.00 0.00 C ATOM 0 H MET A 44 2.581 -1.750 -10.381 1.00 0.00 H new ATOM 0 HA MET A 44 2.319 1.164 -10.759 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.038 -0.458 -8.197 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.392 1.259 -8.193 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.058 -0.038 -9.460 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.035 0.829 -7.937 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.516 2.612 -11.403 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.476 0.955 -10.754 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.158 2.277 -9.777 1.00 0.00 H new ATOM 315 N ALA A 45 4.666 -0.436 -9.076 1.00 0.00 N ATOM 316 CA ALA A 45 6.086 -0.394 -8.707 1.00 0.00 C ATOM 317 C ALA A 45 6.610 -1.769 -8.313 1.00 0.00 C ATOM 318 O ALA A 45 5.826 -2.708 -8.195 1.00 0.00 O ATOM 319 CB ALA A 45 6.301 0.586 -7.550 1.00 0.00 C ATOM 0 H ALA A 45 4.134 -1.149 -8.577 1.00 0.00 H new ATOM 0 HA ALA A 45 6.641 -0.059 -9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.358 0.609 -7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.981 1.583 -7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.717 0.264 -6.688 1.00 0.00 H new ATOM 325 N THR A 46 7.913 -1.879 -8.049 1.00 0.00 N ATOM 326 CA THR A 46 8.583 -3.136 -7.755 1.00 0.00 C ATOM 327 C THR A 46 9.655 -2.824 -6.725 1.00 0.00 C ATOM 328 O THR A 46 10.695 -2.283 -7.084 1.00 0.00 O ATOM 329 CB THR A 46 9.200 -3.702 -9.044 1.00 0.00 C ATOM 330 OG1 THR A 46 8.238 -3.725 -10.068 1.00 0.00 O ATOM 331 CG2 THR A 46 9.768 -5.102 -8.855 1.00 0.00 C ATOM 0 H THR A 46 8.541 -1.076 -8.035 1.00 0.00 H new ATOM 0 HA THR A 46 7.893 -3.885 -7.368 1.00 0.00 H new ATOM 0 HB THR A 46 10.026 -3.044 -9.315 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.955 -4.649 -10.231 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.191 -5.453 -9.796 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.547 -5.079 -8.093 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.973 -5.778 -8.540 1.00 0.00 H new ATOM 339 N ARG A 47 9.395 -3.050 -5.441 1.00 0.00 N ATOM 340 CA ARG A 47 10.386 -2.860 -4.382 1.00 0.00 C ATOM 341 C ARG A 47 9.889 -3.536 -3.114 1.00 0.00 C ATOM 342 O ARG A 47 8.771 -4.059 -3.120 1.00 0.00 O ATOM 343 CB ARG A 47 10.759 -1.381 -4.140 1.00 0.00 C ATOM 344 CG ARG A 47 9.808 -0.262 -4.565 1.00 0.00 C ATOM 345 CD ARG A 47 8.580 -0.190 -3.670 1.00 0.00 C ATOM 346 NE ARG A 47 7.766 0.958 -4.082 1.00 0.00 N ATOM 347 CZ ARG A 47 6.454 1.092 -3.910 1.00 0.00 C ATOM 348 NH1 ARG A 47 5.777 0.204 -3.183 1.00 0.00 N ATOM 349 NH2 ARG A 47 5.839 2.106 -4.498 1.00 0.00 N ATOM 0 H ARG A 47 8.488 -3.371 -5.102 1.00 0.00 H new ATOM 0 HA ARG A 47 11.316 -3.327 -4.707 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.936 -1.264 -3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.710 -1.203 -4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.334 0.692 -4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.496 -0.423 -5.597 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.002 -1.111 -3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.878 -0.087 -2.627 1.00 0.00 H new ATOM 0 HE ARG A 47 8.252 1.726 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.265 -0.583 -2.755 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.771 0.311 -3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.371 2.764 -5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.833 2.230 -4.381 1.00 0.00 H new ATOM 363 N ASP A 48 10.727 -3.578 -2.079 1.00 0.00 N ATOM 364 CA ASP A 48 10.395 -4.225 -0.816 1.00 0.00 C ATOM 365 C ASP A 48 9.134 -3.580 -0.231 1.00 0.00 C ATOM 366 O ASP A 48 8.838 -2.401 -0.454 1.00 0.00 O ATOM 367 CB ASP A 48 11.587 -4.270 0.152 1.00 0.00 C ATOM 368 CG ASP A 48 12.695 -5.183 -0.381 1.00 0.00 C ATOM 369 OD1 ASP A 48 12.721 -6.384 -0.043 1.00 0.00 O ATOM 370 OD2 ASP A 48 13.531 -4.688 -1.170 1.00 0.00 O ATOM 0 H ASP A 48 11.658 -3.162 -2.096 1.00 0.00 H new ATOM 0 HA ASP A 48 10.168 -5.275 -0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.979 -3.264 0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.255 -4.627 1.127 1.00 0.00 H new ATOM 376 N VAL A 49 8.363 -4.388 0.483 1.00 0.00 N ATOM 377 CA VAL A 49 7.087 -4.072 1.097 1.00 0.00 C ATOM 378 C VAL A 49 7.097 -4.837 2.413 1.00 0.00 C ATOM 379 O VAL A 49 7.323 -6.047 2.449 1.00 0.00 O ATOM 380 CB VAL A 49 5.887 -4.428 0.177 1.00 0.00 C ATOM 381 CG1 VAL A 49 6.197 -5.436 -0.930 1.00 0.00 C ATOM 382 CG2 VAL A 49 4.549 -4.660 0.910 1.00 0.00 C ATOM 0 H VAL A 49 8.637 -5.354 0.660 1.00 0.00 H new ATOM 0 HA VAL A 49 6.959 -3.003 1.267 1.00 0.00 H new ATOM 0 HB VAL A 49 5.714 -3.502 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.297 -5.619 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.978 -5.037 -1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.537 -6.371 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.773 -4.902 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.658 -5.485 1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.269 -3.756 1.451 1.00 0.00 H new ATOM 392 N THR A 50 6.853 -4.119 3.493 1.00 0.00 N ATOM 393 CA THR A 50 6.789 -4.645 4.842 1.00 0.00 C ATOM 394 C THR A 50 5.309 -4.779 5.150 1.00 0.00 C ATOM 395 O THR A 50 4.526 -3.882 4.836 1.00 0.00 O ATOM 396 CB THR A 50 7.470 -3.667 5.813 1.00 0.00 C ATOM 397 OG1 THR A 50 8.625 -3.113 5.224 1.00 0.00 O ATOM 398 CG2 THR A 50 7.855 -4.347 7.128 1.00 0.00 C ATOM 0 H THR A 50 6.687 -3.113 3.452 1.00 0.00 H new ATOM 0 HA THR A 50 7.302 -5.602 4.943 1.00 0.00 H new ATOM 0 HB THR A 50 6.750 -2.878 6.031 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.047 -2.491 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.333 -3.622 7.786 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.960 -4.740 7.610 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.547 -5.165 6.926 1.00 0.00 H new ATOM 406 N PHE A 51 4.896 -5.893 5.731 1.00 0.00 N ATOM 407 CA PHE A 51 3.577 -6.104 6.280 1.00 0.00 C ATOM 408 C PHE A 51 3.704 -6.707 7.681 1.00 0.00 C ATOM 409 O PHE A 51 4.788 -7.097 8.122 1.00 0.00 O ATOM 410 CB PHE A 51 2.766 -6.960 5.301 1.00 0.00 C ATOM 411 CG PHE A 51 3.447 -8.232 4.862 1.00 0.00 C ATOM 412 CD1 PHE A 51 4.523 -8.233 3.943 1.00 0.00 C ATOM 413 CD2 PHE A 51 2.979 -9.428 5.410 1.00 0.00 C ATOM 414 CE1 PHE A 51 5.145 -9.451 3.618 1.00 0.00 C ATOM 415 CE2 PHE A 51 3.549 -10.648 5.016 1.00 0.00 C ATOM 416 CZ PHE A 51 4.635 -10.653 4.132 1.00 0.00 C ATOM 0 H PHE A 51 5.501 -6.707 5.835 1.00 0.00 H new ATOM 0 HA PHE A 51 3.034 -5.167 6.400 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.814 -7.216 5.766 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.539 -6.362 4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.862 -7.310 3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.180 -9.414 6.136 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.013 -9.462 2.975 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.152 -11.579 5.393 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.085 -11.591 3.843 1.00 0.00 H new ATOM 426 N ASN A 52 2.604 -6.687 8.421 1.00 0.00 N ATOM 427 CA ASN A 52 2.537 -7.015 9.840 1.00 0.00 C ATOM 428 C ASN A 52 1.082 -7.269 10.206 1.00 0.00 C ATOM 429 O ASN A 52 0.197 -6.945 9.420 1.00 0.00 O ATOM 430 CB ASN A 52 3.075 -5.859 10.697 1.00 0.00 C ATOM 431 CG ASN A 52 2.452 -4.511 10.363 1.00 0.00 C ATOM 432 OD1 ASN A 52 1.445 -4.106 10.930 1.00 0.00 O ATOM 433 ND2 ASN A 52 3.039 -3.790 9.419 1.00 0.00 N ATOM 0 H ASN A 52 1.696 -6.431 8.034 1.00 0.00 H new ATOM 0 HA ASN A 52 3.147 -7.898 10.031 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.894 -6.083 11.748 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.155 -5.793 10.566 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.653 -2.884 9.155 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.877 -4.141 8.956 1.00 0.00 H new ATOM 440 N THR A 53 0.818 -7.885 11.353 1.00 0.00 N ATOM 441 CA THR A 53 -0.529 -8.324 11.694 1.00 0.00 C ATOM 442 C THR A 53 -1.455 -7.115 11.942 1.00 0.00 C ATOM 443 O THR A 53 -1.044 -6.105 12.527 1.00 0.00 O ATOM 444 CB THR A 53 -0.455 -9.314 12.870 1.00 0.00 C ATOM 445 OG1 THR A 53 0.618 -10.220 12.656 1.00 0.00 O ATOM 446 CG2 THR A 53 -1.738 -10.136 12.959 1.00 0.00 C ATOM 0 H THR A 53 1.521 -8.092 12.063 1.00 0.00 H new ATOM 0 HA THR A 53 -0.980 -8.858 10.858 1.00 0.00 H new ATOM 0 HB THR A 53 -0.312 -8.743 13.787 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.334 -11.126 12.899 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.668 -10.831 13.796 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.587 -9.470 13.111 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.877 -10.696 12.034 1.00 0.00 H new ATOM 454 N GLY A 54 -2.705 -7.218 11.484 1.00 0.00 N ATOM 455 CA GLY A 54 -3.790 -6.252 11.535 1.00 0.00 C ATOM 456 C GLY A 54 -5.100 -6.962 11.197 1.00 0.00 C ATOM 457 O GLY A 54 -5.580 -7.731 12.032 1.00 0.00 O ATOM 0 H GLY A 54 -3.007 -8.075 11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.849 -5.803 12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.607 -5.442 10.829 1.00 0.00 H new ATOM 461 N ASP A 55 -5.667 -6.727 10.007 1.00 0.00 N ATOM 462 CA ASP A 55 -6.930 -7.311 9.534 1.00 0.00 C ATOM 463 C ASP A 55 -6.861 -7.480 8.011 1.00 0.00 C ATOM 464 O ASP A 55 -6.636 -6.501 7.286 1.00 0.00 O ATOM 465 CB ASP A 55 -8.107 -6.403 9.925 1.00 0.00 C ATOM 466 CG ASP A 55 -9.478 -6.998 9.579 1.00 0.00 C ATOM 467 OD1 ASP A 55 -10.369 -6.999 10.462 1.00 0.00 O ATOM 468 OD2 ASP A 55 -9.735 -7.350 8.406 1.00 0.00 O ATOM 0 H ASP A 55 -5.244 -6.102 9.321 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.084 -8.286 9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.064 -6.207 10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.998 -5.443 9.421 1.00 0.00 H new ATOM 474 N SER A 56 -6.968 -8.722 7.534 1.00 0.00 N ATOM 475 CA SER A 56 -6.987 -9.161 6.135 1.00 0.00 C ATOM 476 C SER A 56 -7.370 -10.648 6.100 1.00 0.00 C ATOM 477 O SER A 56 -7.538 -11.272 7.148 1.00 0.00 O ATOM 478 CB SER A 56 -5.618 -8.918 5.491 1.00 0.00 C ATOM 479 OG SER A 56 -5.478 -7.556 5.140 1.00 0.00 O ATOM 0 H SER A 56 -7.051 -9.515 8.170 1.00 0.00 H new ATOM 0 HA SER A 56 -7.721 -8.591 5.564 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.826 -9.206 6.183 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.509 -9.543 4.604 1.00 0.00 H new ATOM 0 HG SER A 56 -5.989 -7.002 5.767 1.00 0.00 H new ATOM 485 N GLU A 57 -7.457 -11.251 4.914 1.00 0.00 N ATOM 486 CA GLU A 57 -7.524 -12.700 4.705 1.00 0.00 C ATOM 487 C GLU A 57 -6.444 -13.421 5.515 1.00 0.00 C ATOM 488 O GLU A 57 -6.739 -14.378 6.226 1.00 0.00 O ATOM 489 CB GLU A 57 -7.351 -12.967 3.203 1.00 0.00 C ATOM 490 CG GLU A 57 -7.130 -14.438 2.829 1.00 0.00 C ATOM 491 CD GLU A 57 -6.821 -14.569 1.341 1.00 0.00 C ATOM 492 OE1 GLU A 57 -7.754 -14.412 0.524 1.00 0.00 O ATOM 493 OE2 GLU A 57 -5.651 -14.822 0.978 1.00 0.00 O ATOM 0 H GLU A 57 -7.484 -10.726 4.040 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.486 -13.083 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.236 -12.603 2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.504 -12.384 2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.308 -14.849 3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.019 -15.020 3.075 1.00 0.00 H new ATOM 501 N GLN A 58 -5.194 -12.970 5.403 1.00 0.00 N ATOM 502 CA GLN A 58 -4.070 -13.522 6.151 1.00 0.00 C ATOM 503 C GLN A 58 -3.895 -12.814 7.503 1.00 0.00 C ATOM 504 O GLN A 58 -2.842 -12.914 8.118 1.00 0.00 O ATOM 505 CB GLN A 58 -2.795 -13.492 5.323 1.00 0.00 C ATOM 506 CG GLN A 58 -2.916 -14.427 4.123 1.00 0.00 C ATOM 507 CD GLN A 58 -3.094 -13.574 2.896 1.00 0.00 C ATOM 508 OE1 GLN A 58 -4.039 -12.808 2.747 1.00 0.00 O ATOM 509 NE2 GLN A 58 -2.110 -13.530 2.045 1.00 0.00 N ATOM 0 H GLN A 58 -4.933 -12.203 4.783 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.291 -14.567 6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.600 -12.475 4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.947 -13.790 5.939 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.025 -15.049 4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.764 -15.101 4.247 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.315 -14.159 2.152 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.134 -12.866 1.271 1.00 0.00 H new ATOM 518 N GLY A 59 -4.837 -11.974 7.929 1.00 0.00 N ATOM 519 CA GLY A 59 -4.705 -11.178 9.140 1.00 0.00 C ATOM 520 C GLY A 59 -3.572 -10.150 9.091 1.00 0.00 C ATOM 521 O GLY A 59 -3.328 -9.504 10.099 1.00 0.00 O ATOM 0 H GLY A 59 -5.719 -11.828 7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.645 -10.658 9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.539 -11.846 9.985 1.00 0.00 H new ATOM 525 N ILE A 60 -2.875 -9.974 7.964 1.00 0.00 N ATOM 526 CA ILE A 60 -1.701 -9.113 7.824 1.00 0.00 C ATOM 527 C ILE A 60 -1.956 -7.974 6.857 1.00 0.00 C ATOM 528 O ILE A 60 -2.630 -8.148 5.842 1.00 0.00 O ATOM 529 CB ILE A 60 -0.477 -9.890 7.310 1.00 0.00 C ATOM 530 CG1 ILE A 60 -0.852 -10.890 6.203 1.00 0.00 C ATOM 531 CG2 ILE A 60 0.242 -10.593 8.459 1.00 0.00 C ATOM 532 CD1 ILE A 60 0.293 -11.322 5.301 1.00 0.00 C ATOM 0 H ILE A 60 -3.123 -10.445 7.094 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.501 -8.723 8.822 1.00 0.00 H new ATOM 0 HB ILE A 60 0.206 -9.163 6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.281 -11.778 6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.632 -10.446 5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.104 -11.136 8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.576 -9.853 9.186 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.440 -11.293 8.941 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.077 -12.026 4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.711 -10.449 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.067 -11.801 5.900 1.00 0.00 H new ATOM 544 N VAL A 61 -1.314 -6.841 7.118 1.00 0.00 N ATOM 545 CA VAL A 61 -1.516 -5.608 6.399 1.00 0.00 C ATOM 546 C VAL A 61 -0.173 -4.961 6.050 1.00 0.00 C ATOM 547 O VAL A 61 0.708 -4.873 6.909 1.00 0.00 O ATOM 548 CB VAL A 61 -2.440 -4.682 7.223 1.00 0.00 C ATOM 549 CG1 VAL A 61 -3.818 -5.325 7.402 1.00 0.00 C ATOM 550 CG2 VAL A 61 -1.919 -4.348 8.634 1.00 0.00 C ATOM 0 H VAL A 61 -0.619 -6.762 7.860 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.012 -5.805 5.449 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.481 -3.758 6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.457 -4.661 7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.269 -5.497 6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.711 -6.275 7.925 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.630 -3.694 9.139 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.803 -5.268 9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.955 -3.845 8.556 1.00 0.00 H new ATOM 560 N PRO A 62 0.029 -4.532 4.794 1.00 0.00 N ATOM 561 CA PRO A 62 1.231 -3.834 4.387 1.00 0.00 C ATOM 562 C PRO A 62 1.295 -2.430 4.985 1.00 0.00 C ATOM 563 O PRO A 62 0.295 -1.711 5.075 1.00 0.00 O ATOM 564 CB PRO A 62 1.220 -3.844 2.857 1.00 0.00 C ATOM 565 CG PRO A 62 -0.266 -3.935 2.520 1.00 0.00 C ATOM 566 CD PRO A 62 -0.818 -4.790 3.643 1.00 0.00 C ATOM 0 HA PRO A 62 2.132 -4.322 4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.672 -2.942 2.445 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.777 -4.691 2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.735 -2.951 2.494 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.431 -4.393 1.545 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.855 -4.532 3.856 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.801 -5.846 3.374 1.00 0.00 H new ATOM 574 N CYS A 63 2.521 -2.026 5.316 1.00 0.00 N ATOM 575 CA CYS A 63 2.957 -0.657 5.470 1.00 0.00 C ATOM 576 C CYS A 63 2.752 0.027 4.126 1.00 0.00 C ATOM 577 O CYS A 63 3.590 -0.068 3.228 1.00 0.00 O ATOM 578 CB CYS A 63 4.431 -0.627 5.891 1.00 0.00 C ATOM 579 SG CYS A 63 5.155 1.034 5.984 1.00 0.00 S ATOM 0 H CYS A 63 3.273 -2.692 5.492 1.00 0.00 H new ATOM 0 HA CYS A 63 2.389 -0.140 6.243 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.527 -1.106 6.865 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.009 -1.222 5.185 1.00 0.00 H new ATOM 0 HG CYS A 63 6.399 0.945 6.349 1.00 0.00 H new ATOM 585 N LEU A 64 1.605 0.675 3.968 1.00 0.00 N ATOM 586 CA LEU A 64 1.275 1.497 2.823 1.00 0.00 C ATOM 587 C LEU A 64 1.019 2.866 3.399 1.00 0.00 C ATOM 588 O LEU A 64 0.080 3.033 4.177 1.00 0.00 O ATOM 589 CB LEU A 64 0.041 0.975 2.082 1.00 0.00 C ATOM 590 CG LEU A 64 0.206 -0.444 1.525 1.00 0.00 C ATOM 591 CD1 LEU A 64 -1.064 -0.847 0.775 1.00 0.00 C ATOM 592 CD2 LEU A 64 1.412 -0.571 0.591 1.00 0.00 C ATOM 0 H LEU A 64 0.857 0.638 4.660 1.00 0.00 H new ATOM 0 HA LEU A 64 2.077 1.497 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.812 0.992 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.191 1.653 1.261 1.00 0.00 H new ATOM 0 HG LEU A 64 0.379 -1.109 2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.948 -1.856 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.913 -0.821 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.237 -0.152 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.483 -1.595 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.292 0.108 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.322 -0.317 1.135 1.00 0.00 H new ATOM 604 N THR A 65 1.904 3.806 3.098 1.00 0.00 N ATOM 605 CA THR A 65 1.918 5.098 3.739 1.00 0.00 C ATOM 606 C THR A 65 1.367 6.140 2.778 1.00 0.00 C ATOM 607 O THR A 65 1.118 5.840 1.606 1.00 0.00 O ATOM 608 CB THR A 65 3.338 5.360 4.262 1.00 0.00 C ATOM 609 OG1 THR A 65 4.247 5.468 3.184 1.00 0.00 O ATOM 610 CG2 THR A 65 3.799 4.180 5.129 1.00 0.00 C ATOM 0 H THR A 65 2.634 3.685 2.396 1.00 0.00 H new ATOM 0 HA THR A 65 1.264 5.145 4.610 1.00 0.00 H new ATOM 0 HB THR A 65 3.318 6.285 4.839 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.148 5.637 3.531 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.807 4.371 5.497 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.120 4.062 5.974 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.798 3.268 4.532 1.00 0.00 H new ATOM 618 N ARG A 66 1.136 7.366 3.252 1.00 0.00 N ATOM 619 CA ARG A 66 0.518 8.398 2.408 1.00 0.00 C ATOM 620 C ARG A 66 1.359 8.620 1.159 1.00 0.00 C ATOM 621 O ARG A 66 0.825 8.693 0.053 1.00 0.00 O ATOM 622 CB ARG A 66 0.358 9.747 3.142 1.00 0.00 C ATOM 623 CG ARG A 66 0.167 9.630 4.656 1.00 0.00 C ATOM 624 CD ARG A 66 -0.426 10.902 5.249 1.00 0.00 C ATOM 625 NE ARG A 66 0.466 12.075 5.262 1.00 0.00 N ATOM 626 CZ ARG A 66 0.219 13.135 6.039 1.00 0.00 C ATOM 627 NH1 ARG A 66 -0.972 13.263 6.611 1.00 0.00 N ATOM 628 NH2 ARG A 66 1.126 14.083 6.222 1.00 0.00 N ATOM 0 H ARG A 66 1.362 7.668 4.200 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.476 8.035 2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.239 10.359 2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.497 10.276 2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.487 8.786 4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.127 9.421 5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.325 11.158 4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.737 10.693 6.273 1.00 0.00 H new ATOM 0 HE ARG A 66 1.292 12.078 4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.691 12.556 6.456 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.169 14.068 7.205 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.036 14.014 5.766 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.915 14.882 6.819 1.00 0.00 H new ATOM 642 N ALA A 67 2.675 8.666 1.371 1.00 0.00 N ATOM 643 CA ALA A 67 3.706 8.633 0.358 1.00 0.00 C ATOM 644 C ALA A 67 3.340 7.666 -0.755 1.00 0.00 C ATOM 645 O ALA A 67 3.074 8.060 -1.891 1.00 0.00 O ATOM 646 CB ALA A 67 4.997 8.166 1.038 1.00 0.00 C ATOM 0 H ALA A 67 3.062 8.731 2.313 1.00 0.00 H new ATOM 0 HA ALA A 67 3.826 9.622 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.802 8.128 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.263 8.864 1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.846 7.174 1.463 1.00 0.00 H new ATOM 652 N GLN A 68 3.333 6.384 -0.401 1.00 0.00 N ATOM 653 CA GLN A 68 3.246 5.326 -1.370 1.00 0.00 C ATOM 654 C GLN A 68 1.863 5.285 -1.987 1.00 0.00 C ATOM 655 O GLN A 68 1.768 5.084 -3.189 1.00 0.00 O ATOM 656 CB GLN A 68 3.683 3.995 -0.726 1.00 0.00 C ATOM 657 CG GLN A 68 4.889 3.440 -1.496 1.00 0.00 C ATOM 658 CD GLN A 68 6.075 4.415 -1.502 1.00 0.00 C ATOM 659 OE1 GLN A 68 6.480 4.921 -2.543 1.00 0.00 O ATOM 660 NE2 GLN A 68 6.601 4.765 -0.344 1.00 0.00 N ATOM 0 H GLN A 68 3.388 6.063 0.566 1.00 0.00 H new ATOM 0 HA GLN A 68 3.932 5.512 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.944 4.151 0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.861 3.279 -0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.200 2.496 -1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.594 3.224 -2.523 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.261 4.342 0.519 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.348 5.459 -0.312 1.00 0.00 H new ATOM 669 N LEU A 69 0.792 5.535 -1.233 1.00 0.00 N ATOM 670 CA LEU A 69 -0.559 5.430 -1.762 1.00 0.00 C ATOM 671 C LEU A 69 -0.773 6.452 -2.885 1.00 0.00 C ATOM 672 O LEU A 69 -1.357 6.124 -3.926 1.00 0.00 O ATOM 673 CB LEU A 69 -1.567 5.500 -0.605 1.00 0.00 C ATOM 674 CG LEU A 69 -1.439 4.250 0.321 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.202 4.303 1.651 1.00 0.00 C ATOM 676 CD2 LEU A 69 -1.889 2.992 -0.426 1.00 0.00 C ATOM 0 H LEU A 69 0.839 5.812 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.723 4.462 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.398 6.407 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.580 5.561 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.381 4.234 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.034 3.379 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.847 5.148 2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.268 4.420 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.795 2.126 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.929 3.104 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.264 2.849 -1.307 1.00 0.00 H new ATOM 688 N ALA A 70 -0.210 7.651 -2.738 1.00 0.00 N ATOM 689 CA ALA A 70 -0.179 8.660 -3.788 1.00 0.00 C ATOM 690 C ALA A 70 0.698 8.274 -4.990 1.00 0.00 C ATOM 691 O ALA A 70 0.500 8.818 -6.076 1.00 0.00 O ATOM 692 CB ALA A 70 0.332 9.948 -3.168 1.00 0.00 C ATOM 0 H ALA A 70 0.242 7.949 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.189 8.769 -4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.368 10.728 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.337 10.255 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.332 9.786 -2.766 1.00 0.00 H new ATOM 698 N SER A 71 1.633 7.331 -4.833 1.00 0.00 N ATOM 699 CA SER A 71 2.419 6.792 -5.937 1.00 0.00 C ATOM 700 C SER A 71 1.503 6.012 -6.878 1.00 0.00 C ATOM 701 O SER A 71 1.656 6.125 -8.094 1.00 0.00 O ATOM 702 CB SER A 71 3.576 5.919 -5.414 1.00 0.00 C ATOM 703 OG SER A 71 4.598 5.742 -6.375 1.00 0.00 O ATOM 0 H SER A 71 1.864 6.920 -3.928 1.00 0.00 H new ATOM 0 HA SER A 71 2.869 7.613 -6.494 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.998 6.378 -4.520 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.187 4.945 -5.119 1.00 0.00 H new ATOM 0 HG SER A 71 5.309 5.184 -5.997 1.00 0.00 H new ATOM 709 N MET A 72 0.527 5.250 -6.365 1.00 0.00 N ATOM 710 CA MET A 72 -0.426 4.585 -7.235 1.00 0.00 C ATOM 711 C MET A 72 -1.477 5.563 -7.763 1.00 0.00 C ATOM 712 O MET A 72 -2.015 5.340 -8.845 1.00 0.00 O ATOM 713 CB MET A 72 -1.108 3.388 -6.561 1.00 0.00 C ATOM 714 CG MET A 72 -0.177 2.447 -5.797 1.00 0.00 C ATOM 715 SD MET A 72 -0.008 2.824 -4.052 1.00 0.00 S ATOM 716 CE MET A 72 1.659 2.186 -3.765 1.00 0.00 C ATOM 0 H MET A 72 0.386 5.086 -5.368 1.00 0.00 H new ATOM 0 HA MET A 72 0.151 4.200 -8.076 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.863 3.763 -5.871 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.632 2.813 -7.325 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.547 1.427 -5.901 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.809 2.478 -6.260 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.852 2.141 -2.693 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.745 1.187 -4.192 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.387 2.845 -4.237 1.00 0.00 H new ATOM 726 N GLY A 73 -1.757 6.650 -7.032 1.00 0.00 N ATOM 727 CA GLY A 73 -2.611 7.745 -7.489 1.00 0.00 C ATOM 728 C GLY A 73 -3.617 8.196 -6.436 1.00 0.00 C ATOM 729 O GLY A 73 -4.455 9.071 -6.680 1.00 0.00 O ATOM 0 H GLY A 73 -1.389 6.792 -6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.986 8.592 -7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.147 7.431 -8.385 1.00 0.00 H new ATOM 733 N LEU A 74 -3.589 7.561 -5.261 1.00 0.00 N ATOM 734 CA LEU A 74 -4.589 7.743 -4.229 1.00 0.00 C ATOM 735 C LEU A 74 -4.542 9.172 -3.684 1.00 0.00 C ATOM 736 O LEU A 74 -3.487 9.683 -3.295 1.00 0.00 O ATOM 737 CB LEU A 74 -4.351 6.691 -3.143 1.00 0.00 C ATOM 738 CG LEU A 74 -5.415 6.528 -2.043 1.00 0.00 C ATOM 739 CD1 LEU A 74 -5.498 7.744 -1.146 1.00 0.00 C ATOM 740 CD2 LEU A 74 -6.824 6.167 -2.483 1.00 0.00 C ATOM 0 H LEU A 74 -2.857 6.899 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.592 7.605 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.230 5.726 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.403 6.922 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.038 5.656 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.262 7.583 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.534 7.907 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.758 8.619 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.468 6.084 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.209 6.943 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.807 5.214 -3.012 1.00 0.00 H new ATOM 752 N ASN A 75 -5.713 9.787 -3.587 1.00 0.00 N ATOM 753 CA ASN A 75 -5.934 11.066 -2.951 1.00 0.00 C ATOM 754 C ASN A 75 -5.991 10.869 -1.445 1.00 0.00 C ATOM 755 O ASN A 75 -7.050 10.632 -0.863 1.00 0.00 O ATOM 756 CB ASN A 75 -7.244 11.679 -3.445 1.00 0.00 C ATOM 757 CG ASN A 75 -7.478 13.065 -2.871 1.00 0.00 C ATOM 758 OD1 ASN A 75 -6.673 13.588 -2.104 1.00 0.00 O ATOM 759 ND2 ASN A 75 -8.571 13.683 -3.265 1.00 0.00 N ATOM 0 H ASN A 75 -6.569 9.385 -3.969 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.117 11.742 -3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.230 11.736 -4.533 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.074 11.028 -3.171 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.771 14.626 -2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.218 13.219 -3.903 1.00 0.00 H new ATOM 766 N THR A 76 -4.828 10.904 -0.807 1.00 0.00 N ATOM 767 CA THR A 76 -4.684 10.734 0.638 1.00 0.00 C ATOM 768 C THR A 76 -5.437 11.817 1.418 1.00 0.00 C ATOM 769 O THR A 76 -5.650 11.652 2.621 1.00 0.00 O ATOM 770 CB THR A 76 -3.186 10.730 0.976 1.00 0.00 C ATOM 771 OG1 THR A 76 -2.550 11.873 0.445 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.439 9.558 0.365 1.00 0.00 C ATOM 0 H THR A 76 -3.940 11.054 -1.286 1.00 0.00 H new ATOM 0 HA THR A 76 -5.130 9.786 0.938 1.00 0.00 H new ATOM 0 HB THR A 76 -3.150 10.686 2.065 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.579 12.599 1.103 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.386 9.614 0.641 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.862 8.624 0.735 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.531 9.594 -0.720 1.00 0.00 H new ATOM 780 N ALA A 77 -5.857 12.913 0.774 1.00 0.00 N ATOM 781 CA ALA A 77 -6.692 13.929 1.383 1.00 0.00 C ATOM 782 C ALA A 77 -8.182 13.685 1.082 1.00 0.00 C ATOM 783 O ALA A 77 -9.014 14.445 1.568 1.00 0.00 O ATOM 784 CB ALA A 77 -6.197 15.335 1.002 1.00 0.00 C ATOM 0 H ALA A 77 -5.617 13.112 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.604 13.861 2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.836 16.085 1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.172 15.466 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.232 15.452 -0.081 1.00 0.00 H new ATOM 790 N SER A 78 -8.555 12.629 0.346 1.00 0.00 N ATOM 791 CA SER A 78 -9.914 12.086 0.337 1.00 0.00 C ATOM 792 C SER A 78 -10.146 11.370 1.670 1.00 0.00 C ATOM 793 O SER A 78 -10.966 11.826 2.470 1.00 0.00 O ATOM 794 CB SER A 78 -10.183 11.215 -0.920 1.00 0.00 C ATOM 795 OG SER A 78 -11.436 11.555 -1.472 1.00 0.00 O ATOM 0 H SER A 78 -7.913 12.125 -0.265 1.00 0.00 H new ATOM 0 HA SER A 78 -10.649 12.887 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.395 11.370 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.167 10.158 -0.653 1.00 0.00 H new ATOM 0 HG SER A 78 -11.472 11.262 -2.407 1.00 0.00 H new ATOM 801 N VAL A 79 -9.352 10.337 1.973 1.00 0.00 N ATOM 802 CA VAL A 79 -9.772 9.281 2.888 1.00 0.00 C ATOM 803 C VAL A 79 -9.620 9.840 4.312 1.00 0.00 C ATOM 804 O VAL A 79 -8.540 10.297 4.713 1.00 0.00 O ATOM 805 CB VAL A 79 -9.007 7.971 2.603 1.00 0.00 C ATOM 806 CG1 VAL A 79 -9.088 7.586 1.115 1.00 0.00 C ATOM 807 CG2 VAL A 79 -7.533 7.971 2.986 1.00 0.00 C ATOM 0 H VAL A 79 -8.413 10.214 1.594 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.816 8.999 2.753 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.513 7.249 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.539 6.659 0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.131 7.446 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.651 8.380 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.094 7.003 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.014 8.754 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.435 8.155 4.056 1.00 0.00 H new ATOM 817 N ALA A 80 -10.752 9.945 5.011 1.00 0.00 N ATOM 818 CA ALA A 80 -10.906 10.751 6.208 1.00 0.00 C ATOM 819 C ALA A 80 -10.125 10.178 7.381 1.00 0.00 C ATOM 820 O ALA A 80 -10.590 9.287 8.086 1.00 0.00 O ATOM 821 CB ALA A 80 -12.383 10.922 6.547 1.00 0.00 C ATOM 0 H ALA A 80 -11.607 9.455 4.747 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.487 11.736 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.482 11.529 7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.892 11.416 5.719 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.833 9.944 6.718 1.00 0.00 H new ATOM 827 N GLY A 81 -8.926 10.712 7.584 1.00 0.00 N ATOM 828 CA GLY A 81 -8.012 10.253 8.605 1.00 0.00 C ATOM 829 C GLY A 81 -6.588 10.275 8.100 1.00 0.00 C ATOM 830 O GLY A 81 -5.691 10.646 8.850 1.00 0.00 O ATOM 0 H GLY A 81 -8.563 11.488 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.099 10.886 9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.279 9.241 8.910 1.00 0.00 H new ATOM 834 N MET A 82 -6.336 9.952 6.824 1.00 0.00 N ATOM 835 CA MET A 82 -4.957 9.904 6.357 1.00 0.00 C ATOM 836 C MET A 82 -4.342 11.294 6.298 1.00 0.00 C ATOM 837 O MET A 82 -3.127 11.458 6.387 1.00 0.00 O ATOM 838 CB MET A 82 -4.868 9.155 5.038 1.00 0.00 C ATOM 839 CG MET A 82 -3.407 8.724 4.858 1.00 0.00 C ATOM 840 SD MET A 82 -3.012 7.553 3.545 1.00 0.00 S ATOM 841 CE MET A 82 -4.356 6.347 3.713 1.00 0.00 C ATOM 0 H MET A 82 -7.044 9.729 6.125 1.00 0.00 H new ATOM 0 HA MET A 82 -4.361 9.345 7.079 1.00 0.00 H new ATOM 0 HB2 MET A 82 -5.527 8.287 5.043 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.186 9.791 4.212 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.814 9.623 4.690 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.070 8.292 5.800 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.938 5.342 3.765 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.919 6.554 4.623 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.020 6.420 2.852 1.00 0.00 H new ATOM 851 N ASN A 83 -5.176 12.319 6.208 1.00 0.00 N ATOM 852 CA ASN A 83 -4.777 13.709 6.338 1.00 0.00 C ATOM 853 C ASN A 83 -4.559 14.155 7.790 1.00 0.00 C ATOM 854 O ASN A 83 -4.222 15.318 8.006 1.00 0.00 O ATOM 855 CB ASN A 83 -5.802 14.583 5.603 1.00 0.00 C ATOM 856 CG ASN A 83 -7.227 14.294 6.065 1.00 0.00 C ATOM 857 OD1 ASN A 83 -7.650 14.694 7.138 1.00 0.00 O ATOM 858 ND2 ASN A 83 -7.987 13.511 5.315 1.00 0.00 N ATOM 0 H ASN A 83 -6.175 12.202 6.038 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.797 13.828 5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.571 15.635 5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.725 14.409 4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.919 13.246 5.635 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.641 13.173 4.417 1.00 0.00 H new ATOM 865 N LEU A 84 -4.681 13.249 8.765 1.00 0.00 N ATOM 866 CA LEU A 84 -4.487 13.470 10.198 1.00 0.00 C ATOM 867 C LEU A 84 -3.454 12.478 10.760 1.00 0.00 C ATOM 868 O LEU A 84 -3.267 12.403 11.977 1.00 0.00 O ATOM 869 CB LEU A 84 -5.819 13.276 10.952 1.00 0.00 C ATOM 870 CG LEU A 84 -7.073 13.935 10.355 1.00 0.00 C ATOM 871 CD1 LEU A 84 -8.289 13.502 11.172 1.00 0.00 C ATOM 872 CD2 LEU A 84 -7.011 15.465 10.333 1.00 0.00 C ATOM 0 H LEU A 84 -4.934 12.282 8.560 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.128 14.490 10.337 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.007 12.205 11.033 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.690 13.654 11.966 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.142 13.607 9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.187 13.962 10.760 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.386 12.417 11.132 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.163 13.817 12.208 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.929 15.860 9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.901 15.839 11.351 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.159 15.786 9.734 1.00 0.00 H new ATOM 884 N LEU A 85 -2.838 11.655 9.906 1.00 0.00 N ATOM 885 CA LEU A 85 -1.749 10.732 10.208 1.00 0.00 C ATOM 886 C LEU A 85 -0.404 11.388 9.885 1.00 0.00 C ATOM 887 O LEU A 85 -0.370 12.478 9.306 1.00 0.00 O ATOM 888 CB LEU A 85 -1.969 9.459 9.373 1.00 0.00 C ATOM 889 CG LEU A 85 -2.971 8.519 10.072 1.00 0.00 C ATOM 890 CD1 LEU A 85 -3.811 7.755 9.055 1.00 0.00 C ATOM 891 CD2 LEU A 85 -2.239 7.497 10.931 1.00 0.00 C ATOM 0 H LEU A 85 -3.107 11.616 8.923 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.737 10.475 11.267 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.341 9.726 8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.019 8.944 9.228 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.615 9.144 10.690 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.508 7.100 9.578 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.368 8.461 8.439 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.158 7.157 8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.964 6.843 11.416 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.576 6.902 10.303 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.652 8.014 11.690 1.00 0.00 H new ATOM 903 N ALA A 86 0.698 10.718 10.230 1.00 0.00 N ATOM 904 CA ALA A 86 2.033 11.089 9.780 1.00 0.00 C ATOM 905 C ALA A 86 2.212 10.797 8.281 1.00 0.00 C ATOM 906 O ALA A 86 1.449 10.034 7.684 1.00 0.00 O ATOM 907 CB ALA A 86 3.069 10.320 10.609 1.00 0.00 C ATOM 0 H ALA A 86 0.684 9.897 10.835 1.00 0.00 H new ATOM 0 HA ALA A 86 2.174 12.160 9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.072 10.591 10.280 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.952 10.573 11.663 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.920 9.249 10.475 1.00 0.00 H new ATOM 913 N ASP A 87 3.264 11.373 7.692 1.00 0.00 N ATOM 914 CA ASP A 87 3.707 11.190 6.304 1.00 0.00 C ATOM 915 C ASP A 87 4.048 9.730 6.023 1.00 0.00 C ATOM 916 O ASP A 87 3.704 9.197 4.966 1.00 0.00 O ATOM 917 CB ASP A 87 4.870 12.151 6.006 1.00 0.00 C ATOM 918 CG ASP A 87 4.321 13.552 5.733 1.00 0.00 C ATOM 919 OD1 ASP A 87 4.592 14.481 6.528 1.00 0.00 O ATOM 920 OD2 ASP A 87 3.448 13.690 4.847 1.00 0.00 O ATOM 0 H ASP A 87 3.867 12.019 8.201 1.00 0.00 H new ATOM 0 HA ASP A 87 2.893 11.439 5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.559 12.178 6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.436 11.797 5.144 1.00 0.00 H new ATOM 926 N ASP A 88 4.646 9.062 7.008 1.00 0.00 N ATOM 927 CA ASP A 88 5.167 7.703 6.914 1.00 0.00 C ATOM 928 C ASP A 88 4.403 6.759 7.814 1.00 0.00 C ATOM 929 O ASP A 88 4.943 5.790 8.345 1.00 0.00 O ATOM 930 CB ASP A 88 6.601 7.761 7.441 1.00 0.00 C ATOM 931 CG ASP A 88 6.721 8.004 8.953 1.00 0.00 C ATOM 932 OD1 ASP A 88 5.975 8.848 9.509 1.00 0.00 O ATOM 933 OD2 ASP A 88 7.656 7.466 9.583 1.00 0.00 O ATOM 0 H ASP A 88 4.786 9.472 7.931 1.00 0.00 H new ATOM 0 HA ASP A 88 5.090 7.350 5.886 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.101 6.824 7.197 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.135 8.553 6.916 1.00 0.00 H new ATOM 939 N ALA A 89 3.100 6.983 7.913 1.00 0.00 N ATOM 940 CA ALA A 89 2.308 6.187 8.808 1.00 0.00 C ATOM 941 C ALA A 89 1.859 4.944 8.060 1.00 0.00 C ATOM 942 O ALA A 89 1.382 5.093 6.938 1.00 0.00 O ATOM 943 CB ALA A 89 1.103 7.018 9.226 1.00 0.00 C ATOM 0 H ALA A 89 2.588 7.695 7.393 1.00 0.00 H new ATOM 0 HA ALA A 89 2.871 5.891 9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.480 6.439 9.908 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.442 7.925 9.726 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.522 7.286 8.344 1.00 0.00 H new ATOM 949 N CYS A 90 1.935 3.748 8.647 1.00 0.00 N ATOM 950 CA CYS A 90 1.237 2.588 8.099 1.00 0.00 C ATOM 951 C CYS A 90 -0.262 2.901 8.106 1.00 0.00 C ATOM 952 O CYS A 90 -0.780 3.281 9.164 1.00 0.00 O ATOM 953 CB CYS A 90 1.524 1.352 8.960 1.00 0.00 C ATOM 954 SG CYS A 90 3.240 0.786 8.955 1.00 0.00 S ATOM 0 H CYS A 90 2.469 3.560 9.495 1.00 0.00 H new ATOM 0 HA CYS A 90 1.575 2.380 7.084 1.00 0.00 H new ATOM 0 HB2 CYS A 90 1.234 1.571 9.988 1.00 0.00 H new ATOM 0 HB3 CYS A 90 0.889 0.535 8.617 1.00 0.00 H new ATOM 0 HG CYS A 90 3.778 1.042 7.800 1.00 0.00 H new ATOM 960 N VAL A 91 -0.964 2.774 6.972 1.00 0.00 N ATOM 961 CA VAL A 91 -2.394 3.077 6.904 1.00 0.00 C ATOM 962 C VAL A 91 -3.171 1.871 6.329 1.00 0.00 C ATOM 963 O VAL A 91 -2.715 1.283 5.342 1.00 0.00 O ATOM 964 CB VAL A 91 -2.635 4.404 6.141 1.00 0.00 C ATOM 965 CG1 VAL A 91 -3.841 5.100 6.772 1.00 0.00 C ATOM 966 CG2 VAL A 91 -1.489 5.421 6.197 1.00 0.00 C ATOM 0 H VAL A 91 -0.561 2.462 6.089 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.786 3.238 7.908 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.761 4.114 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.032 6.039 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.716 4.456 6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.635 5.303 7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.764 6.311 5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.297 5.696 7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.590 4.980 5.766 1.00 0.00 H new ATOM 976 N PRO A 92 -4.313 1.458 6.924 1.00 0.00 N ATOM 977 CA PRO A 92 -5.027 0.237 6.555 1.00 0.00 C ATOM 978 C PRO A 92 -5.859 0.390 5.309 1.00 0.00 C ATOM 979 O PRO A 92 -6.787 1.213 5.280 1.00 0.00 O ATOM 980 CB PRO A 92 -5.974 -0.079 7.678 1.00 0.00 C ATOM 981 CG PRO A 92 -6.248 1.279 8.317 1.00 0.00 C ATOM 982 CD PRO A 92 -4.956 2.061 8.084 1.00 0.00 C ATOM 0 HA PRO A 92 -4.285 -0.540 6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.891 -0.540 7.310 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.531 -0.774 8.391 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.103 1.773 7.855 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.471 1.183 9.380 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.167 3.116 7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.307 2.009 8.958 1.00 0.00 H new ATOM 990 N LEU A 93 -5.579 -0.434 4.302 1.00 0.00 N ATOM 991 CA LEU A 93 -6.159 -0.135 3.014 1.00 0.00 C ATOM 992 C LEU A 93 -7.597 -0.612 2.830 1.00 0.00 C ATOM 993 O LEU A 93 -8.252 -0.120 1.918 1.00 0.00 O ATOM 994 CB LEU A 93 -5.235 -0.540 1.861 1.00 0.00 C ATOM 995 CG LEU A 93 -5.362 0.466 0.699 1.00 0.00 C ATOM 996 CD1 LEU A 93 -4.924 1.885 1.115 1.00 0.00 C ATOM 997 CD2 LEU A 93 -4.514 0.055 -0.501 1.00 0.00 C ATOM 0 H LEU A 93 -4.989 -1.264 4.352 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.246 0.951 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.203 -0.577 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.491 -1.541 1.515 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.418 0.468 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.029 2.562 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.550 2.233 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.882 1.865 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.631 0.789 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.466 0.004 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.838 -0.923 -0.858 1.00 0.00 H new ATOM 1009 N THR A 94 -8.126 -1.467 3.708 1.00 0.00 N ATOM 1010 CA THR A 94 -9.544 -1.828 3.679 1.00 0.00 C ATOM 1011 C THR A 94 -10.367 -1.077 4.734 1.00 0.00 C ATOM 1012 O THR A 94 -11.586 -1.235 4.786 1.00 0.00 O ATOM 1013 CB THR A 94 -9.688 -3.357 3.661 1.00 0.00 C ATOM 1014 OG1 THR A 94 -10.974 -3.758 3.233 1.00 0.00 O ATOM 1015 CG2 THR A 94 -9.400 -4.012 5.010 1.00 0.00 C ATOM 0 H THR A 94 -7.592 -1.922 4.448 1.00 0.00 H new ATOM 0 HA THR A 94 -9.996 -1.482 2.750 1.00 0.00 H new ATOM 0 HB THR A 94 -8.935 -3.697 2.950 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.643 -3.129 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.521 -5.092 4.923 1.00 0.00 H new ATOM 0 HG22 THR A 94 -8.378 -3.784 5.314 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.095 -3.628 5.757 1.00 0.00 H new ATOM 1023 N THR A 95 -9.728 -0.240 5.559 1.00 0.00 N ATOM 1024 CA THR A 95 -10.328 0.226 6.808 1.00 0.00 C ATOM 1025 C THR A 95 -10.408 1.752 6.851 1.00 0.00 C ATOM 1026 O THR A 95 -11.460 2.289 7.190 1.00 0.00 O ATOM 1027 CB THR A 95 -9.526 -0.359 7.974 1.00 0.00 C ATOM 1028 OG1 THR A 95 -9.244 -1.732 7.748 1.00 0.00 O ATOM 1029 CG2 THR A 95 -10.157 -0.249 9.352 1.00 0.00 C ATOM 0 H THR A 95 -8.793 0.128 5.381 1.00 0.00 H new ATOM 0 HA THR A 95 -11.358 -0.122 6.884 1.00 0.00 H new ATOM 0 HB THR A 95 -8.630 0.261 7.991 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.730 -2.089 8.502 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.495 -0.698 10.092 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.316 0.801 9.597 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.114 -0.771 9.357 1.00 0.00 H new ATOM 1037 N MET A 96 -9.321 2.457 6.516 1.00 0.00 N ATOM 1038 CA MET A 96 -9.267 3.920 6.516 1.00 0.00 C ATOM 1039 C MET A 96 -10.200 4.476 5.433 1.00 0.00 C ATOM 1040 O MET A 96 -10.859 5.504 5.584 1.00 0.00 O ATOM 1041 CB MET A 96 -7.806 4.328 6.253 1.00 0.00 C ATOM 1042 CG MET A 96 -7.599 5.790 5.843 1.00 0.00 C ATOM 1043 SD MET A 96 -8.051 7.067 7.038 1.00 0.00 S ATOM 1044 CE MET A 96 -6.980 6.607 8.425 1.00 0.00 C ATOM 0 H MET A 96 -8.444 2.020 6.234 1.00 0.00 H new ATOM 0 HA MET A 96 -9.598 4.325 7.472 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.224 4.134 7.154 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.402 3.687 5.469 1.00 0.00 H new ATOM 0 HG2 MET A 96 -6.547 5.923 5.592 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.169 5.967 4.931 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.746 7.494 9.013 1.00 0.00 H new ATOM 0 HE2 MET A 96 -7.492 5.879 9.054 1.00 0.00 H new ATOM 0 HE3 MET A 96 -6.057 6.171 8.043 1.00 0.00 H new ATOM 1054 N VAL A 97 -10.172 3.787 4.304 1.00 0.00 N ATOM 1055 CA VAL A 97 -10.921 3.963 3.076 1.00 0.00 C ATOM 1056 C VAL A 97 -12.049 2.910 3.078 1.00 0.00 C ATOM 1057 O VAL A 97 -12.223 2.157 4.040 1.00 0.00 O ATOM 1058 CB VAL A 97 -9.886 3.924 1.921 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -8.745 2.941 2.169 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -10.456 3.757 0.520 1.00 0.00 C ATOM 0 H VAL A 97 -9.541 2.990 4.220 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.441 4.914 2.956 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.478 4.935 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.056 2.962 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.213 3.223 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.149 1.935 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.642 3.743 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -11.010 2.820 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.125 4.588 0.298 1.00 0.00 H new ATOM 1070 N GLN A 98 -12.871 2.917 2.037 1.00 0.00 N ATOM 1071 CA GLN A 98 -13.915 1.962 1.727 1.00 0.00 C ATOM 1072 C GLN A 98 -13.632 1.453 0.329 1.00 0.00 C ATOM 1073 O GLN A 98 -13.141 2.223 -0.494 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.230 2.741 1.779 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.406 2.142 0.998 1.00 0.00 C ATOM 1076 CD GLN A 98 -16.705 2.773 -0.369 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -15.741 3.188 -1.170 1.00 0.00 O flip ATOM 1078 NE2 GLN A 98 -17.863 2.973 -0.720 1.00 0.00 N flip ATOM 0 H GLN A 98 -12.816 3.653 1.333 1.00 0.00 H new ATOM 0 HA GLN A 98 -13.964 1.116 2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.528 2.840 2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.047 3.747 1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.213 1.080 0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.302 2.220 1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -18.635 2.667 -0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -18.054 3.445 -1.604 1.00 0.00 H new ATOM 1087 N ASP A 99 -14.015 0.223 0.013 1.00 0.00 N ATOM 1088 CA ASP A 99 -13.874 -0.454 -1.283 1.00 0.00 C ATOM 1089 C ASP A 99 -12.433 -0.873 -1.552 1.00 0.00 C ATOM 1090 O ASP A 99 -12.224 -1.960 -2.085 1.00 0.00 O ATOM 1091 CB ASP A 99 -14.388 0.380 -2.469 1.00 0.00 C ATOM 1092 CG ASP A 99 -14.497 -0.455 -3.742 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -13.467 -0.690 -4.409 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -15.628 -0.869 -4.084 1.00 0.00 O ATOM 0 H ASP A 99 -14.467 -0.378 0.703 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.502 -1.342 -1.204 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -15.364 0.798 -2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -13.715 1.220 -2.642 1.00 0.00 H new ATOM 1100 N ALA A 100 -11.441 -0.053 -1.178 1.00 0.00 N ATOM 1101 CA ALA A 100 -10.056 -0.373 -1.471 1.00 0.00 C ATOM 1102 C ALA A 100 -9.633 -1.653 -0.756 1.00 0.00 C ATOM 1103 O ALA A 100 -10.142 -1.985 0.318 1.00 0.00 O ATOM 1104 CB ALA A 100 -9.099 0.779 -1.118 1.00 0.00 C ATOM 0 H ALA A 100 -11.579 0.825 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.990 -0.529 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.076 0.488 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.368 1.665 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.174 1.001 -0.054 1.00 0.00 H new ATOM 1110 N THR A 101 -8.660 -2.327 -1.356 1.00 0.00 N ATOM 1111 CA THR A 101 -8.185 -3.639 -0.922 1.00 0.00 C ATOM 1112 C THR A 101 -6.664 -3.704 -0.937 1.00 0.00 C ATOM 1113 O THR A 101 -6.009 -2.884 -1.592 1.00 0.00 O ATOM 1114 CB THR A 101 -8.795 -4.729 -1.830 1.00 0.00 C ATOM 1115 OG1 THR A 101 -8.235 -4.643 -3.123 1.00 0.00 O ATOM 1116 CG2 THR A 101 -10.311 -4.626 -2.019 1.00 0.00 C ATOM 0 H THR A 101 -8.167 -1.971 -2.175 1.00 0.00 H new ATOM 0 HA THR A 101 -8.505 -3.810 0.106 1.00 0.00 H new ATOM 0 HB THR A 101 -8.572 -5.667 -1.322 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.624 -5.337 -3.695 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.652 -5.431 -2.670 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.805 -4.709 -1.051 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.557 -3.665 -2.471 1.00 0.00 H new ATOM 1124 N ALA A 102 -6.113 -4.696 -0.232 1.00 0.00 N ATOM 1125 CA ALA A 102 -4.711 -5.057 -0.251 1.00 0.00 C ATOM 1126 C ALA A 102 -4.556 -6.513 0.190 1.00 0.00 C ATOM 1127 O ALA A 102 -4.723 -6.835 1.374 1.00 0.00 O ATOM 1128 CB ALA A 102 -3.938 -4.107 0.657 1.00 0.00 C ATOM 0 H ALA A 102 -6.663 -5.288 0.390 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.306 -4.967 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -2.881 -4.374 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.058 -3.084 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.322 -4.183 1.674 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.278 -7.392 -0.767 1.00 0.00 N ATOM 1135 CA HIS A 103 -4.046 -8.817 -0.588 1.00 0.00 C ATOM 1136 C HIS A 103 -2.644 -9.141 -1.063 1.00 0.00 C ATOM 1137 O HIS A 103 -2.244 -8.846 -2.190 1.00 0.00 O ATOM 1138 CB HIS A 103 -5.117 -9.628 -1.341 1.00 0.00 C ATOM 1139 CG HIS A 103 -4.726 -11.058 -1.646 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -4.884 -12.158 -0.831 1.00 0.00 N ATOM 1141 CD2 HIS A 103 -4.158 -11.493 -2.816 1.00 0.00 C ATOM 1142 CE1 HIS A 103 -4.428 -13.220 -1.512 1.00 0.00 C ATOM 1143 NE2 HIS A 103 -3.984 -12.879 -2.732 1.00 0.00 N ATOM 0 H HIS A 103 -4.205 -7.110 -1.745 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.126 -9.089 0.465 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.032 -9.634 -0.749 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.346 -9.120 -2.278 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.891 -10.872 -3.658 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.419 -14.228 -1.125 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.601 -13.499 -3.446 1.00 0.00 H new ATOM 1152 N LEU A 104 -1.911 -9.801 -0.177 1.00 0.00 N ATOM 1153 CA LEU A 104 -0.620 -10.362 -0.456 1.00 0.00 C ATOM 1154 C LEU A 104 -0.883 -11.664 -1.188 1.00 0.00 C ATOM 1155 O LEU A 104 -1.354 -12.631 -0.582 1.00 0.00 O ATOM 1156 CB LEU A 104 0.087 -10.544 0.886 1.00 0.00 C ATOM 1157 CG LEU A 104 1.525 -11.106 0.869 1.00 0.00 C ATOM 1158 CD1 LEU A 104 1.658 -12.117 1.985 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.970 -11.842 -0.375 1.00 0.00 C ATOM 0 H LEU A 104 -2.219 -9.959 0.783 1.00 0.00 H new ATOM 0 HA LEU A 104 0.025 -9.742 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.111 -9.576 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.524 -11.205 1.500 1.00 0.00 H new ATOM 0 HG LEU A 104 2.145 -10.213 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.669 -12.525 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.460 -11.632 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.942 -12.924 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.998 -12.181 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.322 -12.703 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.911 -11.173 -1.234 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.570 -11.695 -2.477 1.00 0.00 N ATOM 1172 CA ASP A 105 -0.540 -12.939 -3.222 1.00 0.00 C ATOM 1173 C ASP A 105 0.831 -13.570 -3.047 1.00 0.00 C ATOM 1174 O ASP A 105 1.787 -13.168 -3.702 1.00 0.00 O ATOM 1175 CB ASP A 105 -0.857 -12.731 -4.705 1.00 0.00 C ATOM 1176 CG ASP A 105 -1.434 -14.031 -5.275 1.00 0.00 C ATOM 1177 OD1 ASP A 105 -2.324 -13.971 -6.150 1.00 0.00 O ATOM 1178 OD2 ASP A 105 -1.064 -15.133 -4.804 1.00 0.00 O ATOM 0 H ASP A 105 -0.333 -10.869 -3.026 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.313 -13.602 -2.832 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.570 -11.916 -4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.045 -12.449 -5.248 1.00 0.00 H new ATOM 1184 N VAL A 106 1.004 -14.499 -2.113 1.00 0.00 N ATOM 1185 CA VAL A 106 2.312 -15.119 -1.893 1.00 0.00 C ATOM 1186 C VAL A 106 2.499 -16.243 -2.915 1.00 0.00 C ATOM 1187 O VAL A 106 3.632 -16.620 -3.229 1.00 0.00 O ATOM 1188 CB VAL A 106 2.397 -15.599 -0.433 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.853 -17.006 -0.175 1.00 0.00 C ATOM 1190 CG2 VAL A 106 3.827 -15.441 0.098 1.00 0.00 C ATOM 0 H VAL A 106 0.264 -14.839 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 106 3.127 -14.410 -2.042 1.00 0.00 H new ATOM 0 HB VAL A 106 1.724 -14.949 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.959 -17.249 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.800 -17.045 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.412 -17.727 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.871 -15.785 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.509 -16.034 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.118 -14.392 0.052 1.00 0.00 H new ATOM 1200 N GLY A 107 1.391 -16.749 -3.473 1.00 0.00 N ATOM 1201 CA GLY A 107 1.416 -17.797 -4.466 1.00 0.00 C ATOM 1202 C GLY A 107 1.743 -17.247 -5.856 1.00 0.00 C ATOM 1203 O GLY A 107 1.885 -18.016 -6.804 1.00 0.00 O ATOM 0 H GLY A 107 0.451 -16.430 -3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.157 -18.546 -4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.449 -18.299 -4.491 1.00 0.00 H new ATOM 1207 N GLN A 108 1.851 -15.921 -5.984 1.00 0.00 N ATOM 1208 CA GLN A 108 2.268 -15.191 -7.175 1.00 0.00 C ATOM 1209 C GLN A 108 3.326 -14.139 -6.844 1.00 0.00 C ATOM 1210 O GLN A 108 3.758 -13.425 -7.744 1.00 0.00 O ATOM 1211 CB GLN A 108 1.044 -14.530 -7.820 1.00 0.00 C ATOM 1212 CG GLN A 108 0.026 -15.553 -8.331 1.00 0.00 C ATOM 1213 CD GLN A 108 0.505 -16.218 -9.617 1.00 0.00 C ATOM 1214 OE1 GLN A 108 0.314 -15.691 -10.712 1.00 0.00 O ATOM 1215 NE2 GLN A 108 1.186 -17.346 -9.530 1.00 0.00 N ATOM 0 H GLN A 108 1.635 -15.294 -5.209 1.00 0.00 H new ATOM 0 HA GLN A 108 2.715 -15.897 -7.875 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.563 -13.876 -7.093 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.369 -13.901 -8.649 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.144 -16.313 -7.568 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.930 -15.060 -8.508 1.00 0.00 H new ATOM 0 HE21 GLN A 108 1.342 -17.779 -8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 108 1.556 -17.784 -10.373 1.00 0.00 H new ATOM 1224 N GLN A 109 3.734 -14.029 -5.576 1.00 0.00 N ATOM 1225 CA GLN A 109 4.559 -12.959 -5.024 1.00 0.00 C ATOM 1226 C GLN A 109 4.171 -11.599 -5.603 1.00 0.00 C ATOM 1227 O GLN A 109 4.913 -11.010 -6.394 1.00 0.00 O ATOM 1228 CB GLN A 109 6.035 -13.323 -5.200 1.00 0.00 C ATOM 1229 CG GLN A 109 6.419 -14.361 -4.153 1.00 0.00 C ATOM 1230 CD GLN A 109 7.795 -14.936 -4.423 1.00 0.00 C ATOM 1231 OE1 GLN A 109 7.994 -15.755 -5.313 1.00 0.00 O ATOM 1232 NE2 GLN A 109 8.774 -14.477 -3.672 1.00 0.00 N ATOM 0 H GLN A 109 3.482 -14.723 -4.872 1.00 0.00 H new ATOM 0 HA GLN A 109 4.381 -12.860 -3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.209 -13.717 -6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 109 6.657 -12.434 -5.095 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.401 -13.905 -3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.682 -15.164 -4.147 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.578 -13.796 -2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.729 -14.803 -3.823 1.00 0.00 H new ATOM 1241 N ARG A 110 3.002 -11.104 -5.192 1.00 0.00 N ATOM 1242 CA ARG A 110 2.393 -9.894 -5.736 1.00 0.00 C ATOM 1243 C ARG A 110 1.692 -9.153 -4.615 1.00 0.00 C ATOM 1244 O ARG A 110 1.485 -9.709 -3.527 1.00 0.00 O ATOM 1245 CB ARG A 110 1.516 -10.276 -6.948 1.00 0.00 C ATOM 1246 CG ARG A 110 1.000 -9.110 -7.804 1.00 0.00 C ATOM 1247 CD ARG A 110 0.298 -9.595 -9.085 1.00 0.00 C ATOM 1248 NE ARG A 110 1.252 -10.044 -10.119 1.00 0.00 N ATOM 1249 CZ ARG A 110 1.066 -10.008 -11.445 1.00 0.00 C ATOM 1250 NH1 ARG A 110 -0.107 -9.663 -11.962 1.00 0.00 N ATOM 1251 NH2 ARG A 110 2.061 -10.306 -12.272 1.00 0.00 N ATOM 0 H ARG A 110 2.444 -11.542 -4.459 1.00 0.00 H new ATOM 0 HA ARG A 110 3.128 -9.191 -6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.090 -10.945 -7.590 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.658 -10.841 -6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.306 -8.510 -7.216 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.834 -8.461 -8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.376 -10.415 -8.837 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.315 -8.788 -9.487 1.00 0.00 H new ATOM 0 HE ARG A 110 2.142 -10.419 -9.790 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.884 -9.420 -11.347 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.232 -9.641 -12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.974 -10.565 -11.899 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.912 -10.276 -13.281 1.00 0.00 H new ATOM 1265 N LEU A 111 1.390 -7.878 -4.840 1.00 0.00 N ATOM 1266 CA LEU A 111 0.679 -7.038 -3.892 1.00 0.00 C ATOM 1267 C LEU A 111 -0.564 -6.540 -4.608 1.00 0.00 C ATOM 1268 O LEU A 111 -0.450 -5.624 -5.415 1.00 0.00 O ATOM 1269 CB LEU A 111 1.588 -5.889 -3.386 1.00 0.00 C ATOM 1270 CG LEU A 111 1.435 -5.502 -1.915 1.00 0.00 C ATOM 1271 CD1 LEU A 111 1.704 -4.011 -1.681 1.00 0.00 C ATOM 1272 CD2 LEU A 111 0.097 -5.881 -1.286 1.00 0.00 C ATOM 0 H LEU A 111 1.639 -7.394 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 111 0.390 -7.589 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.626 -6.173 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.393 -5.006 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 111 2.196 -6.098 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.584 -3.781 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.721 -3.772 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.998 -3.418 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.083 -5.566 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.711 -5.387 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.038 -6.961 -1.341 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.705 -7.196 -4.401 1.00 0.00 N ATOM 1285 CA ASN A 112 -2.919 -6.982 -5.192 1.00 0.00 C ATOM 1286 C ASN A 112 -3.819 -5.982 -4.479 1.00 0.00 C ATOM 1287 O ASN A 112 -4.311 -6.259 -3.385 1.00 0.00 O ATOM 1288 CB ASN A 112 -3.677 -8.301 -5.425 1.00 0.00 C ATOM 1289 CG ASN A 112 -3.029 -9.178 -6.488 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -2.443 -8.680 -7.447 1.00 0.00 O ATOM 1291 ND2 ASN A 112 -3.097 -10.493 -6.354 1.00 0.00 N ATOM 0 H ASN A 112 -1.815 -7.900 -3.671 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.629 -6.588 -6.166 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -3.729 -8.854 -4.487 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.702 -8.078 -5.721 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.662 -11.100 -7.049 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.585 -10.900 -5.556 1.00 0.00 H new ATOM 1298 N LEU A 113 -4.006 -4.806 -5.070 1.00 0.00 N ATOM 1299 CA LEU A 113 -4.675 -3.644 -4.501 1.00 0.00 C ATOM 1300 C LEU A 113 -5.783 -3.171 -5.450 1.00 0.00 C ATOM 1301 O LEU A 113 -5.697 -3.350 -6.666 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.649 -2.501 -4.327 1.00 0.00 C ATOM 1303 CG LEU A 113 -2.320 -2.872 -3.629 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -1.148 -2.077 -4.208 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -2.399 -2.612 -2.130 1.00 0.00 C ATOM 0 H LEU A 113 -3.673 -4.630 -6.018 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.106 -3.913 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.417 -2.097 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.122 -1.701 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.154 -3.935 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.228 -2.360 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.053 -2.292 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.327 -1.011 -4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.451 -2.881 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.603 -1.556 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.200 -3.213 -1.698 1.00 0.00 H new ATOM 1317 N THR A 114 -6.767 -2.459 -4.914 1.00 0.00 N ATOM 1318 CA THR A 114 -7.876 -1.858 -5.656 1.00 0.00 C ATOM 1319 C THR A 114 -8.205 -0.528 -4.985 1.00 0.00 C ATOM 1320 O THR A 114 -8.030 -0.419 -3.769 1.00 0.00 O ATOM 1321 CB THR A 114 -9.098 -2.786 -5.577 1.00 0.00 C ATOM 1322 OG1 THR A 114 -8.779 -4.076 -6.081 1.00 0.00 O ATOM 1323 CG2 THR A 114 -10.325 -2.253 -6.312 1.00 0.00 C ATOM 0 H THR A 114 -6.819 -2.276 -3.912 1.00 0.00 H new ATOM 0 HA THR A 114 -7.611 -1.708 -6.703 1.00 0.00 H new ATOM 0 HB THR A 114 -9.355 -2.840 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.568 -4.655 -6.022 1.00 0.00 H new ATOM 0 HG21 THR A 114 -11.146 -2.963 -6.211 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.618 -1.295 -5.883 1.00 0.00 H new ATOM 0 HG23 THR A 114 -10.088 -2.120 -7.368 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.665 0.474 -5.740 1.00 0.00 N ATOM 1332 CA ILE A 115 -9.216 1.742 -5.259 1.00 0.00 C ATOM 1333 C ILE A 115 -10.257 2.214 -6.312 1.00 0.00 C ATOM 1334 O ILE A 115 -9.943 2.257 -7.499 1.00 0.00 O ATOM 1335 CB ILE A 115 -8.100 2.804 -5.066 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -6.893 2.315 -4.247 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.600 4.136 -4.521 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -5.655 3.223 -4.288 1.00 0.00 C ATOM 0 H ILE A 115 -8.662 0.418 -6.758 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.686 1.608 -4.285 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.751 2.974 -6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.203 2.200 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.609 1.326 -4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.761 4.824 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -9.331 4.559 -5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.066 3.979 -3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.863 2.787 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.309 3.320 -5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.913 4.207 -3.897 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.457 2.652 -5.907 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.689 2.770 -6.671 1.00 0.00 C ATOM 1352 C PRO A 116 -12.765 3.896 -7.687 1.00 0.00 C ATOM 1353 O PRO A 116 -13.840 4.388 -8.026 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.810 2.822 -5.633 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.168 3.526 -4.480 1.00 0.00 C ATOM 1356 CD PRO A 116 -11.793 2.879 -4.543 1.00 0.00 C ATOM 0 HA PRO A 116 -12.768 1.909 -7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -14.679 3.365 -6.004 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.151 1.824 -5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.131 4.607 -4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -13.679 3.339 -3.535 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -11.050 3.524 -4.073 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -11.793 1.938 -3.992 1.00 0.00 H new ATOM 1364 N GLN A 117 -11.624 4.461 -8.035 1.00 0.00 N ATOM 1365 CA GLN A 117 -11.425 5.637 -8.799 1.00 0.00 C ATOM 1366 C GLN A 117 -12.193 6.853 -8.235 1.00 0.00 C ATOM 1367 O GLN A 117 -12.484 7.814 -8.956 1.00 0.00 O ATOM 1368 CB GLN A 117 -11.700 5.333 -10.266 1.00 0.00 C ATOM 1369 CG GLN A 117 -11.254 3.993 -10.914 1.00 0.00 C ATOM 1370 CD GLN A 117 -9.821 3.880 -11.468 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -9.452 2.853 -12.035 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -8.981 4.897 -11.395 1.00 0.00 N ATOM 0 H GLN A 117 -10.735 4.050 -7.751 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.382 5.946 -8.724 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.778 5.411 -10.409 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.242 6.134 -10.847 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -11.384 3.207 -10.170 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -11.942 3.776 -11.731 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.264 5.760 -10.930 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.050 4.820 -11.804 1.00 0.00 H new ATOM 1381 N ALA A 118 -12.562 6.781 -6.948 1.00 0.00 N ATOM 1382 CA ALA A 118 -13.243 7.824 -6.193 1.00 0.00 C ATOM 1383 C ALA A 118 -12.283 8.543 -5.265 1.00 0.00 C ATOM 1384 O ALA A 118 -12.380 9.756 -5.087 1.00 0.00 O ATOM 1385 CB ALA A 118 -14.351 7.243 -5.310 1.00 0.00 C ATOM 0 H ALA A 118 -12.381 5.950 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 118 -13.659 8.509 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -14.838 8.048 -4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -15.085 6.734 -5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -13.919 6.532 -4.605 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.410 7.784 -4.597 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.508 8.386 -3.625 1.00 0.00 C ATOM 1393 C PHE A 119 -9.146 8.623 -4.277 1.00 0.00 C ATOM 1394 O PHE A 119 -8.130 8.489 -3.616 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.366 7.455 -2.415 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.652 7.082 -1.712 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -12.193 7.891 -0.700 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -12.277 5.873 -2.032 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -13.311 7.472 0.036 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -13.367 5.443 -1.277 1.00 0.00 C ATOM 1401 CZ PHE A 119 -13.893 6.230 -0.242 1.00 0.00 C ATOM 0 H PHE A 119 -11.313 6.775 -4.710 1.00 0.00 H new ATOM 0 HA PHE A 119 -10.910 9.342 -3.288 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -9.875 6.539 -2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.704 7.930 -1.691 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -11.742 8.849 -0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -11.918 5.277 -2.858 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -13.720 8.103 0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -13.815 4.485 -1.493 1.00 0.00 H new ATOM 0 HZ PHE A 119 -14.738 5.881 0.334 1.00 0.00 H new ATOM 1411 N MET A 120 -9.063 9.024 -5.542 1.00 0.00 N ATOM 1412 CA MET A 120 -7.795 9.197 -6.260 1.00 0.00 C ATOM 1413 C MET A 120 -7.681 10.671 -6.690 1.00 0.00 C ATOM 1414 O MET A 120 -8.686 11.390 -6.682 1.00 0.00 O ATOM 1415 CB MET A 120 -7.700 8.205 -7.435 1.00 0.00 C ATOM 1416 CG MET A 120 -7.784 6.734 -6.976 1.00 0.00 C ATOM 1417 SD MET A 120 -7.486 5.489 -8.250 1.00 0.00 S ATOM 1418 CE MET A 120 -5.672 5.385 -8.192 1.00 0.00 C ATOM 0 H MET A 120 -9.883 9.242 -6.109 1.00 0.00 H new ATOM 0 HA MET A 120 -6.946 8.969 -5.616 1.00 0.00 H new ATOM 0 HB2 MET A 120 -8.504 8.408 -8.143 1.00 0.00 H new ATOM 0 HB3 MET A 120 -6.761 8.364 -7.965 1.00 0.00 H new ATOM 0 HG2 MET A 120 -7.063 6.583 -6.173 1.00 0.00 H new ATOM 0 HG3 MET A 120 -8.774 6.562 -6.552 1.00 0.00 H new ATOM 0 HE1 MET A 120 -5.326 4.655 -8.923 1.00 0.00 H new ATOM 0 HE2 MET A 120 -5.244 6.361 -8.423 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.357 5.077 -7.195 1.00 0.00 H new ATOM 1428 N SER A 121 -6.486 11.179 -6.990 1.00 0.00 N ATOM 1429 CA SER A 121 -6.282 12.571 -7.402 1.00 0.00 C ATOM 1430 C SER A 121 -4.892 12.695 -8.020 1.00 0.00 C ATOM 1431 O SER A 121 -4.768 13.161 -9.149 1.00 0.00 O ATOM 1432 CB SER A 121 -6.438 13.542 -6.213 1.00 0.00 C ATOM 1433 OG SER A 121 -6.288 14.900 -6.570 1.00 0.00 O ATOM 0 H SER A 121 -5.625 10.634 -6.954 1.00 0.00 H new ATOM 0 HA SER A 121 -7.042 12.842 -8.135 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.421 13.399 -5.764 1.00 0.00 H new ATOM 0 HB3 SER A 121 -5.700 13.292 -5.451 1.00 0.00 H new ATOM 0 HG SER A 121 -7.172 15.313 -6.665 1.00 0.00 H new ATOM 1439 N ASN A 122 -3.872 12.379 -7.212 1.00 0.00 N ATOM 1440 CA ASN A 122 -2.425 12.417 -7.412 1.00 0.00 C ATOM 1441 C ASN A 122 -1.841 12.846 -6.071 1.00 0.00 C ATOM 1442 O ASN A 122 -1.424 12.002 -5.290 1.00 0.00 O ATOM 1443 CB ASN A 122 -1.931 13.291 -8.583 1.00 0.00 C ATOM 1444 CG ASN A 122 -0.410 13.259 -8.667 1.00 0.00 C ATOM 1445 OD1 ASN A 122 0.193 12.196 -8.565 1.00 0.00 O ATOM 1446 ND2 ASN A 122 0.234 14.397 -8.842 1.00 0.00 N ATOM 0 H ASN A 122 -4.078 12.044 -6.271 1.00 0.00 H new ATOM 0 HA ASN A 122 -2.081 11.430 -7.721 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -2.361 12.933 -9.519 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -2.272 14.317 -8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 122 1.253 14.404 -8.895 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -0.287 15.270 -8.925 1.00 0.00 H new ATOM 1453 N ARG A 123 -1.939 14.153 -5.779 1.00 0.00 N ATOM 1454 CA ARG A 123 -1.514 14.843 -4.560 1.00 0.00 C ATOM 1455 C ARG A 123 -1.544 13.968 -3.304 1.00 0.00 C ATOM 1456 O ARG A 123 -2.602 13.772 -2.692 1.00 0.00 O ATOM 1457 CB ARG A 123 -2.297 16.164 -4.376 1.00 0.00 C ATOM 1458 CG ARG A 123 -3.810 16.079 -4.646 1.00 0.00 C ATOM 1459 CD ARG A 123 -4.500 17.437 -4.475 1.00 0.00 C ATOM 1460 NE ARG A 123 -5.821 17.430 -5.121 1.00 0.00 N ATOM 1461 CZ ARG A 123 -6.687 18.448 -5.189 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -6.455 19.601 -4.573 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -7.822 18.298 -5.869 1.00 0.00 N ATOM 0 H ARG A 123 -2.352 14.804 -6.447 1.00 0.00 H new ATOM 0 HA ARG A 123 -0.461 15.087 -4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.147 16.516 -3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.869 16.916 -5.039 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -3.978 15.712 -5.659 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -4.260 15.355 -3.966 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -4.609 17.665 -3.415 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -3.881 18.223 -4.908 1.00 0.00 H new ATOM 0 HE ARG A 123 -6.107 16.557 -5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -5.600 19.727 -4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -7.132 20.361 -4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -8.026 17.413 -6.333 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -8.488 19.069 -5.926 1.00 0.00 H new ATOM 1477 N ALA A 124 -0.369 13.504 -2.877 1.00 0.00 N ATOM 1478 CA ALA A 124 -0.162 13.045 -1.514 1.00 0.00 C ATOM 1479 C ALA A 124 -0.373 14.211 -0.538 1.00 0.00 C ATOM 1480 O ALA A 124 -0.523 15.370 -0.932 1.00 0.00 O ATOM 1481 CB ALA A 124 1.247 12.457 -1.337 1.00 0.00 C ATOM 0 H ALA A 124 0.460 13.438 -3.468 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.885 12.258 -1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 124 1.375 12.121 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.376 11.612 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.991 13.220 -1.565 1.00 0.00 H new ATOM 1487 N ARG A 125 -0.277 13.924 0.759 1.00 0.00 N ATOM 1488 CA ARG A 125 0.210 14.895 1.730 1.00 0.00 C ATOM 1489 C ARG A 125 1.693 14.561 1.875 1.00 0.00 C ATOM 1490 O ARG A 125 2.039 13.378 1.894 1.00 0.00 O ATOM 1491 CB ARG A 125 -0.539 14.782 3.071 1.00 0.00 C ATOM 1492 CG ARG A 125 -1.504 15.945 3.364 1.00 0.00 C ATOM 1493 CD ARG A 125 -1.609 16.223 4.872 1.00 0.00 C ATOM 1494 NE ARG A 125 -2.182 17.550 5.119 1.00 0.00 N ATOM 1495 CZ ARG A 125 -2.186 18.200 6.286 1.00 0.00 C ATOM 1496 NH1 ARG A 125 -1.895 17.589 7.432 1.00 0.00 N ATOM 1497 NH2 ARG A 125 -2.471 19.493 6.297 1.00 0.00 N ATOM 0 H ARG A 125 -0.532 13.022 1.161 1.00 0.00 H new ATOM 0 HA ARG A 125 0.048 15.924 1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.102 13.849 3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 125 0.192 14.722 3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.160 16.843 2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.491 15.709 2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.229 15.461 5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.621 16.158 5.328 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.618 18.020 4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -1.660 16.596 7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -1.907 18.113 8.307 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.683 19.976 5.424 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -2.479 20.006 7.179 1.00 0.00 H new ATOM 1511 N GLY A 126 2.550 15.580 1.911 1.00 0.00 N ATOM 1512 CA GLY A 126 3.995 15.425 1.928 1.00 0.00 C ATOM 1513 C GLY A 126 4.508 15.077 0.534 1.00 0.00 C ATOM 1514 O GLY A 126 5.085 15.937 -0.140 1.00 0.00 O ATOM 0 H GLY A 126 2.248 16.554 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.462 16.347 2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 126 4.275 14.641 2.632 1.00 0.00 H new ATOM 1518 N TYR A 127 4.257 13.839 0.101 1.00 0.00 N ATOM 1519 CA TYR A 127 5.068 13.046 -0.823 1.00 0.00 C ATOM 1520 C TYR A 127 6.417 12.742 -0.158 1.00 0.00 C ATOM 1521 O TYR A 127 7.039 13.597 0.469 1.00 0.00 O ATOM 1522 CB TYR A 127 5.175 13.645 -2.250 1.00 0.00 C ATOM 1523 CG TYR A 127 6.136 12.894 -3.164 1.00 0.00 C ATOM 1524 CD1 TYR A 127 7.506 12.871 -2.850 1.00 0.00 C ATOM 1525 CD2 TYR A 127 5.686 12.163 -4.280 1.00 0.00 C ATOM 1526 CE1 TYR A 127 8.375 12.001 -3.500 1.00 0.00 C ATOM 1527 CE2 TYR A 127 6.595 11.391 -5.036 1.00 0.00 C ATOM 1528 CZ TYR A 127 7.942 11.268 -4.624 1.00 0.00 C ATOM 1529 OH TYR A 127 8.819 10.443 -5.263 1.00 0.00 O ATOM 0 H TYR A 127 3.427 13.332 0.407 1.00 0.00 H new ATOM 0 HA TYR A 127 4.558 12.101 -1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 127 4.185 13.651 -2.706 1.00 0.00 H new ATOM 0 HB3 TYR A 127 5.498 14.683 -2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.889 13.539 -2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 127 4.643 12.193 -4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 127 9.387 11.886 -3.142 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.260 10.892 -5.933 1.00 0.00 H new ATOM 0 HH TYR A 127 8.369 10.008 -6.017 1.00 0.00 H new ATOM 1539 N ILE A 128 6.861 11.493 -0.303 1.00 0.00 N ATOM 1540 CA ILE A 128 8.084 10.913 0.226 1.00 0.00 C ATOM 1541 C ILE A 128 8.469 9.896 -0.857 1.00 0.00 C ATOM 1542 O ILE A 128 7.594 9.149 -1.318 1.00 0.00 O ATOM 1543 CB ILE A 128 7.838 10.215 1.585 1.00 0.00 C ATOM 1544 CG1 ILE A 128 7.197 11.127 2.658 1.00 0.00 C ATOM 1545 CG2 ILE A 128 9.061 9.470 2.144 1.00 0.00 C ATOM 1546 CD1 ILE A 128 5.676 11.291 2.521 1.00 0.00 C ATOM 0 H ILE A 128 6.326 10.809 -0.839 1.00 0.00 H new ATOM 0 HA ILE A 128 8.860 11.653 0.424 1.00 0.00 H new ATOM 0 HB ILE A 128 7.098 9.453 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 128 7.419 10.720 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 128 7.663 12.111 2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 128 8.802 9.010 3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 128 9.369 8.697 1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 128 9.880 10.174 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 128 5.308 11.945 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 128 5.443 11.729 1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 128 5.196 10.316 2.604 1.00 0.00 H new ATOM 1558 N PRO A 129 9.727 9.863 -1.304 1.00 0.00 N ATOM 1559 CA PRO A 129 10.128 8.991 -2.391 1.00 0.00 C ATOM 1560 C PRO A 129 10.200 7.538 -1.909 1.00 0.00 C ATOM 1561 O PRO A 129 10.336 7.279 -0.708 1.00 0.00 O ATOM 1562 CB PRO A 129 11.478 9.538 -2.853 1.00 0.00 C ATOM 1563 CG PRO A 129 12.070 10.156 -1.590 1.00 0.00 C ATOM 1564 CD PRO A 129 10.860 10.576 -0.752 1.00 0.00 C ATOM 0 HA PRO A 129 9.418 8.979 -3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 129 12.116 8.748 -3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.360 10.279 -3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 129 12.692 9.439 -1.054 1.00 0.00 H new ATOM 0 HG3 PRO A 129 12.702 11.012 -1.828 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.006 10.324 0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 129 10.705 11.654 -0.802 1.00 0.00 H new ATOM 1572 N PRO A 130 10.207 6.565 -2.833 1.00 0.00 N ATOM 1573 CA PRO A 130 10.347 5.155 -2.497 1.00 0.00 C ATOM 1574 C PRO A 130 11.783 4.808 -2.056 1.00 0.00 C ATOM 1575 O PRO A 130 12.080 3.633 -1.844 1.00 0.00 O ATOM 1576 CB PRO A 130 9.938 4.417 -3.770 1.00 0.00 C ATOM 1577 CG PRO A 130 10.470 5.350 -4.854 1.00 0.00 C ATOM 1578 CD PRO A 130 10.166 6.734 -4.282 1.00 0.00 C ATOM 0 HA PRO A 130 9.727 4.871 -1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.385 3.424 -3.829 1.00 0.00 H new ATOM 0 HB3 PRO A 130 8.858 4.285 -3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 130 11.537 5.207 -5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 130 9.971 5.188 -5.809 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.901 7.468 -4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 130 9.189 7.090 -4.610 1.00 0.00 H new ATOM 1586 N GLU A 131 12.660 5.807 -1.919 1.00 0.00 N ATOM 1587 CA GLU A 131 14.088 5.718 -1.637 1.00 0.00 C ATOM 1588 C GLU A 131 14.425 6.420 -0.301 1.00 0.00 C ATOM 1589 O GLU A 131 15.579 6.747 -0.015 1.00 0.00 O ATOM 1590 CB GLU A 131 14.809 6.323 -2.855 1.00 0.00 C ATOM 1591 CG GLU A 131 16.315 6.063 -2.829 1.00 0.00 C ATOM 1592 CD GLU A 131 17.014 6.474 -4.123 1.00 0.00 C ATOM 1593 OE1 GLU A 131 17.364 5.590 -4.939 1.00 0.00 O ATOM 1594 OE2 GLU A 131 17.281 7.686 -4.312 1.00 0.00 O ATOM 0 H GLU A 131 12.360 6.778 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 131 14.420 4.689 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 131 14.387 5.905 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 131 14.629 7.398 -2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 131 16.758 6.607 -1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 131 16.492 5.003 -2.648 1.00 0.00 H new ATOM 1602 N LEU A 132 13.405 6.728 0.510 1.00 0.00 N ATOM 1603 CA LEU A 132 13.599 7.234 1.874 1.00 0.00 C ATOM 1604 C LEU A 132 12.698 6.537 2.889 1.00 0.00 C ATOM 1605 O LEU A 132 12.952 6.585 4.085 1.00 0.00 O ATOM 1606 CB LEU A 132 13.349 8.750 1.929 1.00 0.00 C ATOM 1607 CG LEU A 132 14.437 9.574 1.225 1.00 0.00 C ATOM 1608 CD1 LEU A 132 13.999 11.041 1.132 1.00 0.00 C ATOM 1609 CD2 LEU A 132 15.763 9.504 1.984 1.00 0.00 C ATOM 0 H LEU A 132 12.426 6.634 0.240 1.00 0.00 H new ATOM 0 HA LEU A 132 14.634 7.018 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 132 12.385 8.968 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 132 13.284 9.062 2.971 1.00 0.00 H new ATOM 0 HG LEU A 132 14.579 9.157 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 132 14.774 11.621 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 132 13.072 11.108 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 132 13.839 11.437 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 132 16.513 10.097 1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 132 15.627 9.897 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 132 16.095 8.467 2.041 1.00 0.00 H new ATOM 1621 N TRP A 133 11.648 5.866 2.424 1.00 0.00 N ATOM 1622 CA TRP A 133 10.763 5.039 3.237 1.00 0.00 C ATOM 1623 C TRP A 133 11.363 3.665 3.545 1.00 0.00 C ATOM 1624 O TRP A 133 10.616 2.740 3.869 1.00 0.00 O ATOM 1625 CB TRP A 133 9.420 4.982 2.521 1.00 0.00 C ATOM 1626 CG TRP A 133 9.228 3.895 1.516 1.00 0.00 C ATOM 1627 CD1 TRP A 133 10.084 3.475 0.560 1.00 0.00 C ATOM 1628 CD2 TRP A 133 8.096 3.002 1.453 1.00 0.00 C ATOM 1629 NE1 TRP A 133 9.530 2.401 -0.115 1.00 0.00 N ATOM 1630 CE2 TRP A 133 8.307 2.048 0.419 1.00 0.00 C ATOM 1631 CE3 TRP A 133 6.896 2.960 2.179 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 7.371 1.036 0.158 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 5.937 1.966 1.904 1.00 0.00 C ATOM 1634 CH2 TRP A 133 6.183 0.997 0.912 1.00 0.00 C ATOM 0 H TRP A 133 11.382 5.884 1.440 1.00 0.00 H new ATOM 0 HA TRP A 133 10.623 5.479 4.224 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.639 4.886 3.275 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.264 5.937 2.020 1.00 0.00 H new ATOM 0 HD1 TRP A 133 11.051 3.910 0.354 1.00 0.00 H new ATOM 0 HE1 TRP A 133 9.969 1.930 -0.906 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.707 3.692 2.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.559 0.299 -0.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 5.009 1.947 2.456 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.456 0.220 0.729 1.00 0.00 H new ATOM 1645 N ASP A 134 12.680 3.526 3.368 1.00 0.00 N ATOM 1646 CA ASP A 134 13.419 2.322 2.999 1.00 0.00 C ATOM 1647 C ASP A 134 12.913 1.109 3.780 1.00 0.00 C ATOM 1648 O ASP A 134 13.265 0.968 4.955 1.00 0.00 O ATOM 1649 CB ASP A 134 14.931 2.532 3.161 1.00 0.00 C ATOM 1650 CG ASP A 134 15.412 3.762 2.410 1.00 0.00 C ATOM 1651 OD1 ASP A 134 15.706 4.774 3.082 1.00 0.00 O ATOM 1652 OD2 ASP A 134 15.423 3.718 1.159 1.00 0.00 O ATOM 0 H ASP A 134 13.306 4.322 3.490 1.00 0.00 H new ATOM 0 HA ASP A 134 13.239 2.118 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.173 2.634 4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 134 15.462 1.652 2.796 1.00 0.00 H new ATOM 1658 N PRO A 135 12.023 0.284 3.191 1.00 0.00 N ATOM 1659 CA PRO A 135 11.195 -0.614 3.978 1.00 0.00 C ATOM 1660 C PRO A 135 11.975 -1.873 4.376 1.00 0.00 C ATOM 1661 O PRO A 135 11.913 -2.313 5.523 1.00 0.00 O ATOM 1662 CB PRO A 135 9.979 -0.942 3.105 1.00 0.00 C ATOM 1663 CG PRO A 135 10.470 -0.706 1.683 1.00 0.00 C ATOM 1664 CD PRO A 135 11.503 0.399 1.840 1.00 0.00 C ATOM 0 HA PRO A 135 10.881 -0.155 4.916 1.00 0.00 H new ATOM 0 HB2 PRO A 135 9.651 -1.972 3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 135 9.131 -0.301 3.346 1.00 0.00 H new ATOM 0 HG2 PRO A 135 10.909 -1.608 1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 135 9.657 -0.404 1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 135 12.302 0.292 1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 135 11.052 1.378 1.679 1.00 0.00 H new ATOM 1672 N GLY A 136 12.722 -2.445 3.430 1.00 0.00 N ATOM 1673 CA GLY A 136 13.790 -3.398 3.701 1.00 0.00 C ATOM 1674 C GLY A 136 15.020 -2.985 2.916 1.00 0.00 C ATOM 1675 O GLY A 136 16.074 -2.757 3.495 1.00 0.00 O ATOM 0 H GLY A 136 12.596 -2.252 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 136 14.013 -3.423 4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.480 -4.404 3.417 1.00 0.00 H new ATOM 1679 N ILE A 137 14.848 -2.819 1.602 1.00 0.00 N ATOM 1680 CA ILE A 137 15.913 -2.690 0.614 1.00 0.00 C ATOM 1681 C ILE A 137 16.715 -3.980 0.569 1.00 0.00 C ATOM 1682 O ILE A 137 17.849 -4.057 1.050 1.00 0.00 O ATOM 1683 CB ILE A 137 16.819 -1.461 0.827 1.00 0.00 C ATOM 1684 CG1 ILE A 137 16.056 -0.171 1.140 1.00 0.00 C ATOM 1685 CG2 ILE A 137 17.688 -1.302 -0.420 1.00 0.00 C ATOM 1686 CD1 ILE A 137 14.996 0.236 0.120 1.00 0.00 C ATOM 0 H ILE A 137 13.919 -2.769 1.183 1.00 0.00 H new ATOM 0 HA ILE A 137 15.439 -2.518 -0.352 1.00 0.00 H new ATOM 0 HB ILE A 137 17.430 -1.637 1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 137 15.575 -0.282 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 137 16.776 0.642 1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 137 18.342 -0.438 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 137 18.292 -2.198 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 137 17.050 -1.156 -1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 137 14.519 1.162 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.466 0.388 -0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 137 14.246 -0.551 0.042 1.00 0.00 H new