USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 641 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 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 101 ASN : amide:sc= -1.73 X(o=-1.7,f=-2.1!) USER MOD Single : A 60 LYS NZ :NH3+ -155:sc= -0.0666 (180deg=-0.85) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.632 F(o=-1.5,f=-0.63) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.502 F(o=-1.4,f=-0.5) USER MOD Single : A 80 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.7!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 152:sc= -0.204 (180deg=-0.794) USER MOD Single : A 90 GLN :FLIP amide:sc= -0.304 F(o=-1.1,f=-0.3) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -170:sc= -0.801 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 84:sc= -0.751 USER MOD Single : A 119 CYS SG : rot -140:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 60 2.158 -7.872 -5.295 1.00 0.00 N ATOM 2 CA LYS A 60 3.171 -6.993 -5.867 1.00 0.00 C ATOM 3 C LYS A 60 3.752 -7.591 -7.145 1.00 0.00 C ATOM 4 O LYS A 60 4.469 -8.590 -7.102 1.00 0.00 O ATOM 5 CB LYS A 60 4.290 -6.743 -4.854 1.00 0.00 C ATOM 6 CG LYS A 60 5.142 -5.527 -5.176 1.00 0.00 C ATOM 7 CD LYS A 60 4.475 -4.242 -4.715 1.00 0.00 C ATOM 8 CE LYS A 60 4.877 -3.885 -3.292 1.00 0.00 C ATOM 9 NZ LYS A 60 3.972 -4.508 -2.288 1.00 0.00 N ATOM 0 HA LYS A 60 2.695 -6.044 -6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.851 -6.617 -3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.931 -7.623 -4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.115 -5.626 -4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.320 -5.481 -6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.748 -3.428 -5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.392 -4.352 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.901 -4.212 -3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.863 -2.802 -3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.985 -3.946 -1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.003 -4.539 -2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.294 -5.475 -2.083 1.00 0.00 H new ATOM 23 N GLU A 61 3.438 -6.973 -8.279 1.00 0.00 N ATOM 24 CA GLU A 61 3.930 -7.445 -9.567 1.00 0.00 C ATOM 25 C GLU A 61 4.962 -6.480 -10.142 1.00 0.00 C ATOM 26 O GLU A 61 5.945 -6.897 -10.757 1.00 0.00 O ATOM 27 CB GLU A 61 2.770 -7.614 -10.551 1.00 0.00 C ATOM 28 CG GLU A 61 1.798 -6.446 -10.551 1.00 0.00 C ATOM 29 CD GLU A 61 0.757 -6.553 -9.453 1.00 0.00 C ATOM 30 OE1 GLU A 61 -0.006 -7.541 -9.453 1.00 0.00 O ATOM 31 OE2 GLU A 61 0.706 -5.648 -8.593 1.00 0.00 O ATOM 0 H GLU A 61 2.845 -6.145 -8.332 1.00 0.00 H new ATOM 0 HA GLU A 61 4.409 -8.412 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.172 -7.741 -11.556 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.228 -8.527 -10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.353 -5.516 -10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.297 -6.395 -11.518 1.00 0.00 H new ATOM 38 N THR A 62 4.732 -5.186 -9.939 1.00 0.00 N ATOM 39 CA THR A 62 5.640 -4.161 -10.438 1.00 0.00 C ATOM 40 C THR A 62 6.638 -3.741 -9.365 1.00 0.00 C ATOM 41 O THR A 62 6.414 -3.961 -8.175 1.00 0.00 O ATOM 42 CB THR A 62 4.871 -2.918 -10.923 1.00 0.00 C ATOM 43 OG1 THR A 62 3.745 -2.676 -10.073 1.00 0.00 O ATOM 44 CG2 THR A 62 4.400 -3.098 -12.358 1.00 0.00 C ATOM 0 H THR A 62 3.924 -4.823 -9.432 1.00 0.00 H new ATOM 0 HA THR A 62 6.178 -4.597 -11.279 1.00 0.00 H new ATOM 0 HB THR A 62 5.546 -2.063 -10.884 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.262 -1.883 -10.387 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.860 -2.207 -12.678 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.262 -3.252 -13.007 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.741 -3.964 -12.419 1.00 0.00 H new ATOM 52 N VAL A 63 7.740 -3.134 -9.794 1.00 0.00 N ATOM 53 CA VAL A 63 8.772 -2.681 -8.869 1.00 0.00 C ATOM 54 C VAL A 63 8.896 -1.161 -8.885 1.00 0.00 C ATOM 55 O VAL A 63 8.543 -0.495 -9.858 1.00 0.00 O ATOM 56 CB VAL A 63 10.141 -3.300 -9.208 1.00 0.00 C ATOM 57 CG1 VAL A 63 10.207 -4.744 -8.734 1.00 0.00 C ATOM 58 CG2 VAL A 63 10.411 -3.208 -10.702 1.00 0.00 C ATOM 0 H VAL A 63 7.941 -2.945 -10.776 1.00 0.00 H new ATOM 0 HA VAL A 63 8.470 -3.008 -7.874 1.00 0.00 H new ATOM 0 HB VAL A 63 10.914 -2.736 -8.686 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.182 -5.164 -8.982 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.061 -4.780 -7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.426 -5.324 -9.225 1.00 0.00 H new ATOM 0 HG21 VAL A 63 11.382 -3.650 -10.924 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.635 -3.746 -11.246 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.410 -2.162 -11.008 1.00 0.00 H new ATOM 68 N PRO A 64 9.410 -0.598 -7.781 1.00 0.00 N ATOM 69 CA PRO A 64 9.593 0.850 -7.644 1.00 0.00 C ATOM 70 C PRO A 64 10.698 1.383 -8.549 1.00 0.00 C ATOM 71 O PRO A 64 11.199 0.670 -9.420 1.00 0.00 O ATOM 72 CB PRO A 64 9.979 1.020 -6.172 1.00 0.00 C ATOM 73 CG PRO A 64 10.581 -0.286 -5.785 1.00 0.00 C ATOM 74 CD PRO A 64 9.852 -1.331 -6.583 1.00 0.00 C ATOM 0 HA PRO A 64 8.699 1.403 -7.932 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.688 1.837 -6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.108 1.252 -5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.649 -0.303 -6.003 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.471 -0.465 -4.715 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.503 -2.167 -6.840 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.008 -1.743 -6.030 1.00 0.00 H new ATOM 82 N TYR A 65 11.075 2.639 -8.338 1.00 0.00 N ATOM 83 CA TYR A 65 12.120 3.268 -9.137 1.00 0.00 C ATOM 84 C TYR A 65 13.391 3.462 -8.316 1.00 0.00 C ATOM 85 O TYR A 65 14.490 3.538 -8.864 1.00 0.00 O ATOM 86 CB TYR A 65 11.637 4.616 -9.676 1.00 0.00 C ATOM 87 CG TYR A 65 10.993 4.526 -11.042 1.00 0.00 C ATOM 88 CD1 TYR A 65 11.745 4.207 -12.166 1.00 0.00 C ATOM 89 CD2 TYR A 65 9.634 4.762 -11.208 1.00 0.00 C ATOM 90 CE1 TYR A 65 11.161 4.124 -13.415 1.00 0.00 C ATOM 91 CE2 TYR A 65 9.042 4.681 -12.453 1.00 0.00 C ATOM 92 CZ TYR A 65 9.810 4.362 -13.554 1.00 0.00 C ATOM 93 OH TYR A 65 9.224 4.281 -14.796 1.00 0.00 O ATOM 0 H TYR A 65 10.673 3.242 -7.620 1.00 0.00 H new ATOM 0 HA TYR A 65 12.347 2.609 -9.975 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.921 5.044 -8.974 1.00 0.00 H new ATOM 0 HB3 TYR A 65 12.483 5.302 -9.727 1.00 0.00 H new ATOM 0 HD1 TYR A 65 12.804 4.021 -12.061 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.030 5.013 -10.349 1.00 0.00 H new ATOM 0 HE1 TYR A 65 11.760 3.874 -14.278 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.984 4.866 -12.564 1.00 0.00 H new ATOM 0 HH TYR A 65 8.267 4.476 -14.719 1.00 0.00 H new ATOM 103 N GLN A 66 13.230 3.541 -6.999 1.00 0.00 N ATOM 104 CA GLN A 66 14.365 3.726 -6.102 1.00 0.00 C ATOM 105 C GLN A 66 15.151 2.428 -5.943 1.00 0.00 C ATOM 106 O GLN A 66 16.299 2.438 -5.500 1.00 0.00 O ATOM 107 CB GLN A 66 13.885 4.216 -4.734 1.00 0.00 C ATOM 108 CG GLN A 66 12.963 3.237 -4.026 1.00 0.00 C ATOM 109 CD GLN A 66 12.036 3.919 -3.039 1.00 0.00 C ATOM 110 OE1 GLN A 66 10.913 4.291 -3.379 1.00 0.00 O ATOM 111 NE2 GLN A 66 12.503 4.086 -1.807 1.00 0.00 N ATOM 0 H GLN A 66 12.326 3.480 -6.530 1.00 0.00 H new ATOM 0 HA GLN A 66 15.023 4.477 -6.539 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.752 4.408 -4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.365 5.166 -4.859 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.369 2.702 -4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.563 2.493 -3.501 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.440 3.762 -1.569 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.924 4.538 -1.099 1.00 0.00 H new ATOM 120 N ILE A 67 14.524 1.315 -6.307 1.00 0.00 N ATOM 121 CA ILE A 67 15.165 0.010 -6.205 1.00 0.00 C ATOM 122 C ILE A 67 15.741 -0.426 -7.548 1.00 0.00 C ATOM 123 O ILE A 67 15.082 -0.356 -8.586 1.00 0.00 O ATOM 124 CB ILE A 67 14.180 -1.065 -5.709 1.00 0.00 C ATOM 125 CG1 ILE A 67 13.587 -0.659 -4.358 1.00 0.00 C ATOM 126 CG2 ILE A 67 14.876 -2.414 -5.604 1.00 0.00 C ATOM 127 CD1 ILE A 67 14.626 -0.470 -3.274 1.00 0.00 C ATOM 0 H ILE A 67 13.573 1.291 -6.675 1.00 0.00 H new ATOM 0 HA ILE A 67 15.973 0.112 -5.481 1.00 0.00 H new ATOM 0 HB ILE A 67 13.368 -1.153 -6.430 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.028 0.269 -4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 67 12.875 -1.421 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 67 14.167 -3.163 -5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 67 15.255 -2.705 -6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.706 -2.342 -4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.134 -0.183 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 67 15.169 -1.403 -3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 67 15.324 0.312 -3.572 1.00 0.00 H new ATOM 139 N PRO A 68 17.000 -0.889 -7.530 1.00 0.00 N ATOM 140 CA PRO A 68 17.794 -0.976 -6.301 1.00 0.00 C ATOM 141 C PRO A 68 18.187 0.397 -5.766 1.00 0.00 C ATOM 142 O PRO A 68 17.997 0.692 -4.586 1.00 0.00 O ATOM 143 CB PRO A 68 19.037 -1.756 -6.736 1.00 0.00 C ATOM 144 CG PRO A 68 19.153 -1.498 -8.199 1.00 0.00 C ATOM 145 CD PRO A 68 17.745 -1.362 -8.709 1.00 0.00 C ATOM 0 HA PRO A 68 17.239 -1.449 -5.490 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.925 -1.416 -6.202 1.00 0.00 H new ATOM 0 HB3 PRO A 68 18.929 -2.821 -6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 68 19.727 -0.591 -8.391 1.00 0.00 H new ATOM 0 HG3 PRO A 68 19.672 -2.316 -8.699 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.683 -0.653 -9.535 1.00 0.00 H new ATOM 0 HD3 PRO A 68 17.357 -2.312 -9.075 1.00 0.00 H new ATOM 153 N TYR A 69 18.735 1.233 -6.641 1.00 0.00 N ATOM 154 CA TYR A 69 19.156 2.575 -6.256 1.00 0.00 C ATOM 155 C TYR A 69 18.784 3.592 -7.330 1.00 0.00 C ATOM 156 O TYR A 69 18.742 3.272 -8.519 1.00 0.00 O ATOM 157 CB TYR A 69 20.666 2.606 -6.009 1.00 0.00 C ATOM 158 CG TYR A 69 21.465 1.852 -7.047 1.00 0.00 C ATOM 159 CD1 TYR A 69 21.746 2.419 -8.284 1.00 0.00 C ATOM 160 CD2 TYR A 69 21.940 0.571 -6.791 1.00 0.00 C ATOM 161 CE1 TYR A 69 22.476 1.733 -9.236 1.00 0.00 C ATOM 162 CE2 TYR A 69 22.672 -0.122 -7.736 1.00 0.00 C ATOM 163 CZ TYR A 69 22.936 0.463 -8.957 1.00 0.00 C ATOM 164 OH TYR A 69 23.664 -0.224 -9.901 1.00 0.00 O ATOM 0 H TYR A 69 18.898 1.005 -7.622 1.00 0.00 H new ATOM 0 HA TYR A 69 18.638 2.841 -5.335 1.00 0.00 H new ATOM 0 HB2 TYR A 69 21.001 3.643 -5.988 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.874 2.184 -5.026 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.388 3.413 -8.505 1.00 0.00 H new ATOM 0 HD2 TYR A 69 21.733 0.109 -5.837 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.685 2.189 -10.193 1.00 0.00 H new ATOM 0 HE2 TYR A 69 23.035 -1.116 -7.520 1.00 0.00 H new ATOM 0 HH TYR A 69 23.913 -1.103 -9.546 1.00 0.00 H new ATOM 174 N THR A 70 18.514 4.822 -6.903 1.00 0.00 N ATOM 175 CA THR A 70 18.145 5.888 -7.826 1.00 0.00 C ATOM 176 C THR A 70 19.291 6.874 -8.014 1.00 0.00 C ATOM 177 O THR A 70 20.151 7.036 -7.148 1.00 0.00 O ATOM 178 CB THR A 70 16.901 6.651 -7.333 1.00 0.00 C ATOM 179 OG1 THR A 70 16.621 6.305 -5.972 1.00 0.00 O ATOM 180 CG2 THR A 70 15.693 6.335 -8.201 1.00 0.00 C ATOM 0 H THR A 70 18.544 5.104 -5.923 1.00 0.00 H new ATOM 0 HA THR A 70 17.917 5.415 -8.781 1.00 0.00 H new ATOM 0 HB THR A 70 17.107 7.719 -7.400 1.00 0.00 H new ATOM 0 HG1 THR A 70 15.830 6.796 -5.666 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.827 6.885 -7.833 1.00 0.00 H new ATOM 0 HG22 THR A 70 15.898 6.627 -9.231 1.00 0.00 H new ATOM 0 HG23 THR A 70 15.487 5.265 -8.162 1.00 0.00 H new ATOM 188 N PRO A 71 19.306 7.551 -9.172 1.00 0.00 N ATOM 189 CA PRO A 71 20.342 8.535 -9.500 1.00 0.00 C ATOM 190 C PRO A 71 20.234 9.797 -8.650 1.00 0.00 C ATOM 191 O PRO A 71 21.242 10.348 -8.209 1.00 0.00 O ATOM 192 CB PRO A 71 20.073 8.857 -10.972 1.00 0.00 C ATOM 193 CG PRO A 71 18.626 8.560 -11.166 1.00 0.00 C ATOM 194 CD PRO A 71 18.313 7.409 -10.249 1.00 0.00 C ATOM 0 HA PRO A 71 21.344 8.150 -9.310 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.297 9.900 -11.196 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.694 8.249 -11.630 1.00 0.00 H new ATOM 0 HG2 PRO A 71 18.014 9.429 -10.925 1.00 0.00 H new ATOM 0 HG3 PRO A 71 18.417 8.300 -12.204 1.00 0.00 H new ATOM 0 HD2 PRO A 71 17.294 7.466 -9.866 1.00 0.00 H new ATOM 0 HD3 PRO A 71 18.408 6.451 -10.760 1.00 0.00 H new ATOM 202 N SER A 72 19.004 10.249 -8.425 1.00 0.00 N ATOM 203 CA SER A 72 18.764 11.448 -7.631 1.00 0.00 C ATOM 204 C SER A 72 19.360 11.303 -6.234 1.00 0.00 C ATOM 205 O SER A 72 19.898 12.258 -5.676 1.00 0.00 O ATOM 206 CB SER A 72 17.263 11.727 -7.531 1.00 0.00 C ATOM 207 OG SER A 72 17.017 12.972 -6.900 1.00 0.00 O ATOM 0 H SER A 72 18.159 9.803 -8.781 1.00 0.00 H new ATOM 0 HA SER A 72 19.250 12.287 -8.129 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.823 11.728 -8.528 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.778 10.929 -6.969 1.00 0.00 H new ATOM 0 HG SER A 72 16.051 13.128 -6.850 1.00 0.00 H new ATOM 213 N GLU A 73 19.258 10.100 -5.676 1.00 0.00 N ATOM 214 CA GLU A 73 19.786 9.830 -4.344 1.00 0.00 C ATOM 215 C GLU A 73 21.306 9.965 -4.323 1.00 0.00 C ATOM 216 O GLU A 73 21.865 10.681 -3.492 1.00 0.00 O ATOM 217 CB GLU A 73 19.381 8.427 -3.886 1.00 0.00 C ATOM 218 CG GLU A 73 17.911 8.115 -4.108 1.00 0.00 C ATOM 219 CD GLU A 73 16.993 9.089 -3.395 1.00 0.00 C ATOM 220 OE1 GLU A 73 17.467 9.778 -2.466 1.00 0.00 O ATOM 221 OE2 GLU A 73 15.803 9.163 -3.764 1.00 0.00 O ATOM 0 H GLU A 73 18.815 9.298 -6.125 1.00 0.00 H new ATOM 0 HA GLU A 73 19.364 10.565 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 73 19.984 7.692 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.610 8.320 -2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.697 8.135 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.702 7.103 -3.760 1.00 0.00 H new ATOM 228 N LEU A 74 21.968 9.272 -5.243 1.00 0.00 N ATOM 229 CA LEU A 74 23.423 9.313 -5.331 1.00 0.00 C ATOM 230 C LEU A 74 23.915 10.739 -5.556 1.00 0.00 C ATOM 231 O LEU A 74 24.780 11.229 -4.831 1.00 0.00 O ATOM 232 CB LEU A 74 23.911 8.409 -6.464 1.00 0.00 C ATOM 233 CG LEU A 74 23.443 6.954 -6.411 1.00 0.00 C ATOM 234 CD1 LEU A 74 24.131 6.132 -7.489 1.00 0.00 C ATOM 235 CD2 LEU A 74 23.706 6.359 -5.035 1.00 0.00 C ATOM 0 H LEU A 74 21.520 8.675 -5.938 1.00 0.00 H new ATOM 0 HA LEU A 74 23.829 8.953 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 74 23.586 8.840 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 74 25.001 8.419 -6.466 1.00 0.00 H new ATOM 0 HG LEU A 74 22.369 6.931 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 74 23.785 5.100 -7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 74 23.892 6.544 -8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 74 25.210 6.162 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 74 23.367 5.323 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 74 24.774 6.395 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 74 23.166 6.932 -4.281 1.00 0.00 H new ATOM 247 N GLU A 75 23.355 11.401 -6.564 1.00 0.00 N ATOM 248 CA GLU A 75 23.737 12.772 -6.883 1.00 0.00 C ATOM 249 C GLU A 75 23.474 13.699 -5.699 1.00 0.00 C ATOM 250 O GLU A 75 24.289 14.565 -5.383 1.00 0.00 O ATOM 251 CB GLU A 75 22.970 13.266 -8.111 1.00 0.00 C ATOM 252 CG GLU A 75 23.212 12.430 -9.357 1.00 0.00 C ATOM 253 CD GLU A 75 24.449 12.864 -10.119 1.00 0.00 C ATOM 254 OE1 GLU A 75 24.701 14.084 -10.196 1.00 0.00 O ATOM 255 OE2 GLU A 75 25.165 11.982 -10.638 1.00 0.00 O ATOM 0 H GLU A 75 22.636 11.011 -7.173 1.00 0.00 H new ATOM 0 HA GLU A 75 24.805 12.783 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.903 13.268 -7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.254 14.298 -8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.313 11.383 -9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 75 22.343 12.500 -10.012 1.00 0.00 H new ATOM 262 N GLU A 76 22.330 13.509 -5.049 1.00 0.00 N ATOM 263 CA GLU A 76 21.959 14.329 -3.902 1.00 0.00 C ATOM 264 C GLU A 76 22.887 14.062 -2.720 1.00 0.00 C ATOM 265 O GLU A 76 23.178 14.961 -1.929 1.00 0.00 O ATOM 266 CB GLU A 76 20.509 14.055 -3.498 1.00 0.00 C ATOM 267 CG GLU A 76 20.004 14.963 -2.389 1.00 0.00 C ATOM 268 CD GLU A 76 18.500 15.155 -2.433 1.00 0.00 C ATOM 269 OE1 GLU A 76 17.773 14.143 -2.503 1.00 0.00 O ATOM 270 OE2 GLU A 76 18.050 16.320 -2.396 1.00 0.00 O ATOM 0 H GLU A 76 21.645 12.795 -5.297 1.00 0.00 H new ATOM 0 HA GLU A 76 22.056 15.376 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.869 14.173 -4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.420 13.018 -3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.285 14.542 -1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.493 15.934 -2.468 1.00 0.00 H new ATOM 277 N LEU A 77 23.347 12.821 -2.606 1.00 0.00 N ATOM 278 CA LEU A 77 24.242 12.434 -1.520 1.00 0.00 C ATOM 279 C LEU A 77 25.600 13.113 -1.666 1.00 0.00 C ATOM 280 O LEU A 77 26.092 13.744 -0.731 1.00 0.00 O ATOM 281 CB LEU A 77 24.418 10.915 -1.496 1.00 0.00 C ATOM 282 CG LEU A 77 24.589 10.281 -0.115 1.00 0.00 C ATOM 283 CD1 LEU A 77 25.718 10.959 0.647 1.00 0.00 C ATOM 284 CD2 LEU A 77 23.290 10.360 0.673 1.00 0.00 C ATOM 0 H LEU A 77 23.116 12.066 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 77 23.795 12.757 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 77 23.552 10.461 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 77 25.288 10.661 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 77 24.847 9.230 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 77 25.825 10.495 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 77 26.649 10.851 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 77 25.490 12.018 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 77 23.431 9.904 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 77 23.002 11.404 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 77 22.505 9.829 0.135 1.00 0.00 H new ATOM 296 N GLN A 78 26.199 12.980 -2.845 1.00 0.00 N ATOM 297 CA GLN A 78 27.500 13.582 -3.113 1.00 0.00 C ATOM 298 C GLN A 78 27.440 15.098 -2.957 1.00 0.00 C ATOM 299 O GLN A 78 28.296 15.698 -2.306 1.00 0.00 O ATOM 300 CB GLN A 78 27.972 13.220 -4.522 1.00 0.00 C ATOM 301 CG GLN A 78 26.958 13.545 -5.606 1.00 0.00 C ATOM 302 CD GLN A 78 27.395 13.067 -6.977 1.00 0.00 C ATOM 303 OE1 GLN A 78 27.827 11.814 -7.057 1.00 0.00 O flip ATOM 304 NE2 GLN A 78 27.345 13.816 -7.953 1.00 0.00 N flip ATOM 0 H GLN A 78 25.805 12.461 -3.630 1.00 0.00 H new ATOM 0 HA GLN A 78 28.212 13.188 -2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 78 28.900 13.752 -4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.200 12.155 -4.557 1.00 0.00 H new ATOM 0 HG2 GLN A 78 26.002 13.086 -5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.796 14.623 -5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 78 27.006 14.772 -7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 78 27.643 13.480 -8.869 1.00 0.00 H new ATOM 313 N GLN A 79 26.426 15.711 -3.559 1.00 0.00 N ATOM 314 CA GLN A 79 26.256 17.157 -3.487 1.00 0.00 C ATOM 315 C GLN A 79 26.125 17.619 -2.039 1.00 0.00 C ATOM 316 O GLN A 79 26.730 18.611 -1.637 1.00 0.00 O ATOM 317 CB GLN A 79 25.025 17.588 -4.286 1.00 0.00 C ATOM 318 CG GLN A 79 25.198 17.452 -5.790 1.00 0.00 C ATOM 319 CD GLN A 79 26.299 18.341 -6.334 1.00 0.00 C ATOM 320 OE1 GLN A 79 27.512 17.807 -6.402 1.00 0.00 O flip ATOM 321 NE2 GLN A 79 26.061 19.496 -6.688 1.00 0.00 N flip ATOM 0 H GLN A 79 25.710 15.229 -4.102 1.00 0.00 H new ATOM 0 HA GLN A 79 27.142 17.623 -3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 79 24.170 16.990 -3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.793 18.626 -4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.421 16.413 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 79 24.259 17.700 -6.284 1.00 0.00 H new ATOM 0 HE21 GLN A 79 25.113 19.866 -6.618 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.812 20.083 -7.051 1.00 0.00 H new ATOM 330 N ASN A 80 25.329 16.891 -1.262 1.00 0.00 N ATOM 331 CA ASN A 80 25.118 17.227 0.142 1.00 0.00 C ATOM 332 C ASN A 80 26.410 17.073 0.939 1.00 0.00 C ATOM 333 O ASN A 80 26.643 17.797 1.907 1.00 0.00 O ATOM 334 CB ASN A 80 24.027 16.338 0.742 1.00 0.00 C ATOM 335 CG ASN A 80 22.633 16.877 0.482 1.00 0.00 C ATOM 336 OD1 ASN A 80 22.442 18.084 0.326 1.00 0.00 O ATOM 337 ND2 ASN A 80 21.652 15.984 0.435 1.00 0.00 N ATOM 0 H ASN A 80 24.820 16.066 -1.580 1.00 0.00 H new ATOM 0 HA ASN A 80 24.800 18.268 0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 80 24.109 15.335 0.324 1.00 0.00 H new ATOM 0 HB3 ASN A 80 24.185 16.250 1.817 1.00 0.00 H new ATOM 0 HD21 ASN A 80 20.693 16.288 0.264 1.00 0.00 H new ATOM 0 HD22 ASN A 80 21.857 14.994 0.570 1.00 0.00 H new ATOM 344 N ILE A 81 27.245 16.127 0.524 1.00 0.00 N ATOM 345 CA ILE A 81 28.514 15.880 1.198 1.00 0.00 C ATOM 346 C ILE A 81 29.458 17.067 1.045 1.00 0.00 C ATOM 347 O ILE A 81 29.949 17.616 2.031 1.00 0.00 O ATOM 348 CB ILE A 81 29.204 14.615 0.653 1.00 0.00 C ATOM 349 CG1 ILE A 81 28.489 13.360 1.158 1.00 0.00 C ATOM 350 CG2 ILE A 81 30.670 14.596 1.058 1.00 0.00 C ATOM 351 CD1 ILE A 81 28.816 12.117 0.361 1.00 0.00 C ATOM 0 H ILE A 81 27.066 15.519 -0.275 1.00 0.00 H new ATOM 0 HA ILE A 81 28.287 15.734 2.254 1.00 0.00 H new ATOM 0 HB ILE A 81 29.148 14.628 -0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.757 13.194 2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.412 13.528 1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 81 31.144 13.696 0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 81 31.171 15.476 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 81 30.747 14.602 2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 81 28.274 11.266 0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 81 28.522 12.263 -0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 81 29.888 11.924 0.411 1.00 0.00 H new ATOM 363 N LYS A 82 29.707 17.461 -0.200 1.00 0.00 N ATOM 364 CA LYS A 82 30.590 18.585 -0.485 1.00 0.00 C ATOM 365 C LYS A 82 29.960 19.900 -0.036 1.00 0.00 C ATOM 366 O LYS A 82 30.661 20.874 0.241 1.00 0.00 O ATOM 367 CB LYS A 82 30.908 18.645 -1.981 1.00 0.00 C ATOM 368 CG LYS A 82 29.673 18.680 -2.864 1.00 0.00 C ATOM 369 CD LYS A 82 30.042 18.758 -4.336 1.00 0.00 C ATOM 370 CE LYS A 82 30.868 19.998 -4.638 1.00 0.00 C ATOM 371 NZ LYS A 82 30.501 20.604 -5.948 1.00 0.00 N ATOM 0 H LYS A 82 29.309 17.018 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 82 31.515 18.437 0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 82 31.512 19.530 -2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 82 31.513 17.779 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 82 29.072 17.789 -2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 82 29.057 19.539 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 82 30.603 17.868 -4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 82 29.135 18.768 -4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 82 30.724 20.732 -3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 82 31.926 19.737 -4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 31.087 21.447 -6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 30.662 19.912 -6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 29.497 20.877 -5.935 1.00 0.00 H new ATOM 385 N LEU A 83 28.634 19.920 0.036 1.00 0.00 N ATOM 386 CA LEU A 83 27.908 21.115 0.453 1.00 0.00 C ATOM 387 C LEU A 83 27.865 21.222 1.974 1.00 0.00 C ATOM 388 O LEU A 83 27.803 22.320 2.527 1.00 0.00 O ATOM 389 CB LEU A 83 26.486 21.095 -0.109 1.00 0.00 C ATOM 390 CG LEU A 83 26.339 21.487 -1.579 1.00 0.00 C ATOM 391 CD1 LEU A 83 24.964 21.099 -2.101 1.00 0.00 C ATOM 392 CD2 LEU A 83 26.578 22.979 -1.760 1.00 0.00 C ATOM 0 H LEU A 83 28.039 19.122 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 83 28.434 21.985 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 83 26.080 20.092 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 83 25.871 21.768 0.489 1.00 0.00 H new ATOM 0 HG LEU A 83 27.090 20.946 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.878 21.386 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 83 24.830 20.021 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 83 24.197 21.611 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.469 23.240 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 83 25.851 23.538 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 83 27.585 23.229 -1.426 1.00 0.00 H new ATOM 404 N GLU A 84 27.900 20.075 2.645 1.00 0.00 N ATOM 405 CA GLU A 84 27.866 20.041 4.102 1.00 0.00 C ATOM 406 C GLU A 84 29.255 19.767 4.672 1.00 0.00 C ATOM 407 O GLU A 84 29.927 20.675 5.164 1.00 0.00 O ATOM 408 CB GLU A 84 26.884 18.973 4.587 1.00 0.00 C ATOM 409 CG GLU A 84 25.435 19.279 4.247 1.00 0.00 C ATOM 410 CD GLU A 84 24.462 18.370 4.972 1.00 0.00 C ATOM 411 OE1 GLU A 84 24.241 18.582 6.182 1.00 0.00 O ATOM 412 OE2 GLU A 84 23.921 17.446 4.329 1.00 0.00 O ATOM 0 H GLU A 84 27.952 19.157 2.203 1.00 0.00 H new ATOM 0 HA GLU A 84 27.533 21.017 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 84 27.157 18.014 4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 84 26.980 18.867 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.217 20.316 4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 84 25.289 19.178 3.172 1.00 0.00 H new ATOM 419 N LEU A 85 29.679 18.510 4.602 1.00 0.00 N ATOM 420 CA LEU A 85 30.988 18.115 5.112 1.00 0.00 C ATOM 421 C LEU A 85 32.090 18.982 4.512 1.00 0.00 C ATOM 422 O LEU A 85 31.840 19.791 3.619 1.00 0.00 O ATOM 423 CB LEU A 85 31.255 16.642 4.798 1.00 0.00 C ATOM 424 CG LEU A 85 30.573 15.626 5.715 1.00 0.00 C ATOM 425 CD1 LEU A 85 30.931 15.895 7.169 1.00 0.00 C ATOM 426 CD2 LEU A 85 29.065 15.660 5.520 1.00 0.00 C ATOM 0 H LEU A 85 29.136 17.747 4.197 1.00 0.00 H new ATOM 0 HA LEU A 85 30.988 18.256 6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.939 16.446 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.331 16.472 4.837 1.00 0.00 H new ATOM 0 HG LEU A 85 30.931 14.630 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 85 30.437 15.162 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 85 32.011 15.819 7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.602 16.897 7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.596 14.931 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 85 28.690 16.656 5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.826 15.418 4.484 1.00 0.00 H new ATOM 438 N GLU A 86 33.311 18.806 5.009 1.00 0.00 N ATOM 439 CA GLU A 86 34.451 19.573 4.521 1.00 0.00 C ATOM 440 C GLU A 86 35.747 19.093 5.169 1.00 0.00 C ATOM 441 O GLU A 86 35.726 18.315 6.121 1.00 0.00 O ATOM 442 CB GLU A 86 34.249 21.063 4.800 1.00 0.00 C ATOM 443 CG GLU A 86 34.066 21.387 6.273 1.00 0.00 C ATOM 444 CD GLU A 86 34.214 22.867 6.568 1.00 0.00 C ATOM 445 OE1 GLU A 86 34.336 23.654 5.606 1.00 0.00 O ATOM 446 OE2 GLU A 86 34.209 23.238 7.760 1.00 0.00 O ATOM 0 H GLU A 86 33.535 18.140 5.748 1.00 0.00 H new ATOM 0 HA GLU A 86 34.525 19.420 3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 86 35.108 21.615 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 86 33.376 21.412 4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 86 33.079 21.053 6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 86 34.798 20.829 6.857 1.00 0.00 H new ATOM 453 N GLY A 87 36.874 19.564 4.645 1.00 0.00 N ATOM 454 CA GLY A 87 38.163 19.173 5.184 1.00 0.00 C ATOM 455 C GLY A 87 38.444 17.695 5.000 1.00 0.00 C ATOM 456 O GLY A 87 38.465 17.194 3.875 1.00 0.00 O ATOM 0 H GLY A 87 36.917 20.210 3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 87 38.948 19.752 4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 87 38.199 19.417 6.246 1.00 0.00 H new ATOM 460 N LYS A 88 38.662 16.993 6.107 1.00 0.00 N ATOM 461 CA LYS A 88 38.944 15.563 6.064 1.00 0.00 C ATOM 462 C LYS A 88 37.686 14.752 6.360 1.00 0.00 C ATOM 463 O LYS A 88 37.726 13.783 7.117 1.00 0.00 O ATOM 464 CB LYS A 88 40.041 15.209 7.071 1.00 0.00 C ATOM 465 CG LYS A 88 41.019 14.164 6.561 1.00 0.00 C ATOM 466 CD LYS A 88 40.618 12.765 6.998 1.00 0.00 C ATOM 467 CE LYS A 88 41.824 11.841 7.082 1.00 0.00 C ATOM 468 NZ LYS A 88 42.808 12.304 8.099 1.00 0.00 N ATOM 0 H LYS A 88 38.649 17.392 7.046 1.00 0.00 H new ATOM 0 HA LYS A 88 39.287 15.315 5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 88 40.591 16.114 7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 88 39.578 14.844 7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 88 41.064 14.207 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 88 42.019 14.389 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 88 40.126 12.813 7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 88 39.893 12.356 6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 88 41.492 10.833 7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 88 42.308 11.786 6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 43.333 11.487 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 43.473 12.972 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 42.306 12.777 8.877 1.00 0.00 H new ATOM 482 N GLU A 89 36.572 15.155 5.757 1.00 0.00 N ATOM 483 CA GLU A 89 35.304 14.464 5.956 1.00 0.00 C ATOM 484 C GLU A 89 34.590 14.243 4.626 1.00 0.00 C ATOM 485 O GLU A 89 34.354 13.106 4.218 1.00 0.00 O ATOM 486 CB GLU A 89 34.405 15.263 6.903 1.00 0.00 C ATOM 487 CG GLU A 89 35.099 15.688 8.186 1.00 0.00 C ATOM 488 CD GLU A 89 34.133 16.240 9.216 1.00 0.00 C ATOM 489 OE1 GLU A 89 33.059 15.631 9.408 1.00 0.00 O ATOM 490 OE2 GLU A 89 34.450 17.280 9.830 1.00 0.00 O ATOM 0 H GLU A 89 36.522 15.956 5.127 1.00 0.00 H new ATOM 0 HA GLU A 89 35.516 13.492 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 89 34.043 16.151 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 89 33.531 14.662 7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 89 35.627 14.833 8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 89 35.850 16.444 7.955 1.00 0.00 H new ATOM 497 N GLN A 90 34.249 15.338 3.955 1.00 0.00 N ATOM 498 CA GLN A 90 33.561 15.264 2.671 1.00 0.00 C ATOM 499 C GLN A 90 34.366 14.445 1.668 1.00 0.00 C ATOM 500 O GLN A 90 33.802 13.798 0.787 1.00 0.00 O ATOM 501 CB GLN A 90 33.314 16.669 2.119 1.00 0.00 C ATOM 502 CG GLN A 90 34.586 17.395 1.712 1.00 0.00 C ATOM 503 CD GLN A 90 34.310 18.646 0.902 1.00 0.00 C ATOM 504 OE1 GLN A 90 33.332 19.432 1.339 1.00 0.00 O flip ATOM 505 NE2 GLN A 90 34.968 18.904 -0.107 1.00 0.00 N flip ATOM 0 H GLN A 90 34.438 16.287 4.279 1.00 0.00 H new ATOM 0 HA GLN A 90 32.602 14.770 2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 90 32.653 16.600 1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 90 32.793 17.260 2.872 1.00 0.00 H new ATOM 0 HG2 GLN A 90 35.149 17.663 2.606 1.00 0.00 H new ATOM 0 HG3 GLN A 90 35.214 16.721 1.130 1.00 0.00 H new ATOM 0 HE21 GLN A 90 35.711 18.272 -0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 90 34.770 19.749 -0.642 1.00 0.00 H new ATOM 514 N GLU A 91 35.688 14.480 1.809 1.00 0.00 N ATOM 515 CA GLU A 91 36.570 13.741 0.913 1.00 0.00 C ATOM 516 C GLU A 91 36.295 12.242 0.992 1.00 0.00 C ATOM 517 O GLU A 91 36.089 11.583 -0.027 1.00 0.00 O ATOM 518 CB GLU A 91 38.034 14.021 1.259 1.00 0.00 C ATOM 519 CG GLU A 91 38.344 15.496 1.447 1.00 0.00 C ATOM 520 CD GLU A 91 38.243 16.283 0.154 1.00 0.00 C ATOM 521 OE1 GLU A 91 39.035 16.007 -0.771 1.00 0.00 O ATOM 522 OE2 GLU A 91 37.372 17.173 0.068 1.00 0.00 O ATOM 0 H GLU A 91 36.171 15.011 2.534 1.00 0.00 H new ATOM 0 HA GLU A 91 36.374 14.075 -0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 91 38.291 13.485 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 91 38.668 13.623 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 91 37.656 15.918 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 91 39.349 15.603 1.856 1.00 0.00 H new ATOM 529 N LEU A 92 36.293 11.711 2.210 1.00 0.00 N ATOM 530 CA LEU A 92 36.043 10.289 2.424 1.00 0.00 C ATOM 531 C LEU A 92 34.663 9.895 1.907 1.00 0.00 C ATOM 532 O LEU A 92 34.528 8.956 1.123 1.00 0.00 O ATOM 533 CB LEU A 92 36.160 9.949 3.910 1.00 0.00 C ATOM 534 CG LEU A 92 37.581 9.824 4.461 1.00 0.00 C ATOM 535 CD1 LEU A 92 38.366 8.781 3.681 1.00 0.00 C ATOM 536 CD2 LEU A 92 38.290 11.170 4.417 1.00 0.00 C ATOM 0 H LEU A 92 36.461 12.243 3.064 1.00 0.00 H new ATOM 0 HA LEU A 92 36.793 9.726 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 92 35.637 10.717 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 92 35.638 9.009 4.089 1.00 0.00 H new ATOM 0 HG LEU A 92 37.520 9.501 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 92 39.375 8.706 4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 92 37.869 7.815 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 92 38.418 9.074 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 92 39.300 11.062 4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 92 38.340 11.522 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 92 37.739 11.891 5.020 1.00 0.00 H new ATOM 548 N ALA A 93 33.642 10.620 2.349 1.00 0.00 N ATOM 549 CA ALA A 93 32.273 10.349 1.928 1.00 0.00 C ATOM 550 C ALA A 93 32.157 10.345 0.408 1.00 0.00 C ATOM 551 O ALA A 93 31.721 9.359 -0.189 1.00 0.00 O ATOM 552 CB ALA A 93 31.323 11.374 2.529 1.00 0.00 C ATOM 0 H ALA A 93 33.737 11.400 2.999 1.00 0.00 H new ATOM 0 HA ALA A 93 31.997 9.359 2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 93 30.304 11.159 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 93 31.377 11.326 3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 93 31.606 12.372 2.196 1.00 0.00 H new ATOM 558 N LEU A 94 32.548 11.452 -0.213 1.00 0.00 N ATOM 559 CA LEU A 94 32.487 11.577 -1.666 1.00 0.00 C ATOM 560 C LEU A 94 33.361 10.524 -2.339 1.00 0.00 C ATOM 561 O LEU A 94 32.992 9.966 -3.372 1.00 0.00 O ATOM 562 CB LEU A 94 32.930 12.976 -2.096 1.00 0.00 C ATOM 563 CG LEU A 94 31.828 14.032 -2.184 1.00 0.00 C ATOM 564 CD1 LEU A 94 32.361 15.395 -1.772 1.00 0.00 C ATOM 565 CD2 LEU A 94 31.251 14.085 -3.591 1.00 0.00 C ATOM 0 H LEU A 94 32.911 12.276 0.266 1.00 0.00 H new ATOM 0 HA LEU A 94 31.455 11.419 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 94 33.687 13.327 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 94 33.411 12.899 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 94 31.029 13.754 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 94 31.563 16.134 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 94 32.725 15.348 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 94 33.178 15.681 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 94 30.468 14.842 -3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 94 32.040 14.338 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 94 30.831 13.113 -3.849 1.00 0.00 H new ATOM 577 N GLU A 95 34.521 10.257 -1.746 1.00 0.00 N ATOM 578 CA GLU A 95 35.446 9.270 -2.289 1.00 0.00 C ATOM 579 C GLU A 95 34.741 7.939 -2.533 1.00 0.00 C ATOM 580 O GLU A 95 34.724 7.429 -3.654 1.00 0.00 O ATOM 581 CB GLU A 95 36.627 9.067 -1.337 1.00 0.00 C ATOM 582 CG GLU A 95 37.592 7.983 -1.786 1.00 0.00 C ATOM 583 CD GLU A 95 38.920 8.045 -1.057 1.00 0.00 C ATOM 584 OE1 GLU A 95 38.984 7.582 0.101 1.00 0.00 O ATOM 585 OE2 GLU A 95 39.896 8.557 -1.645 1.00 0.00 O ATOM 0 H GLU A 95 34.842 10.710 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 95 35.817 9.645 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 95 37.170 10.007 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 95 36.246 8.815 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 95 37.137 7.006 -1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 95 37.766 8.078 -2.858 1.00 0.00 H new ATOM 592 N LEU A 96 34.161 7.381 -1.477 1.00 0.00 N ATOM 593 CA LEU A 96 33.454 6.109 -1.575 1.00 0.00 C ATOM 594 C LEU A 96 32.272 6.215 -2.534 1.00 0.00 C ATOM 595 O LEU A 96 32.040 5.322 -3.350 1.00 0.00 O ATOM 596 CB LEU A 96 32.966 5.666 -0.194 1.00 0.00 C ATOM 597 CG LEU A 96 32.334 4.276 -0.119 1.00 0.00 C ATOM 598 CD1 LEU A 96 33.397 3.219 0.138 1.00 0.00 C ATOM 599 CD2 LEU A 96 31.265 4.233 0.963 1.00 0.00 C ATOM 0 H LEU A 96 34.166 7.789 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 96 34.149 5.365 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 96 33.810 5.697 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 96 32.237 6.394 0.162 1.00 0.00 H new ATOM 0 HG LEU A 96 31.861 4.061 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 96 32.928 2.236 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 96 34.126 3.232 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 96 33.899 3.430 1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 96 30.826 3.236 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 96 31.714 4.470 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.488 4.963 0.736 1.00 0.00 H new ATOM 611 N LEU A 97 31.531 7.312 -2.432 1.00 0.00 N ATOM 612 CA LEU A 97 30.374 7.537 -3.292 1.00 0.00 C ATOM 613 C LEU A 97 30.761 7.428 -4.763 1.00 0.00 C ATOM 614 O LEU A 97 30.075 6.776 -5.549 1.00 0.00 O ATOM 615 CB LEU A 97 29.766 8.913 -3.013 1.00 0.00 C ATOM 616 CG LEU A 97 28.261 9.042 -3.251 1.00 0.00 C ATOM 617 CD1 LEU A 97 27.751 10.376 -2.729 1.00 0.00 C ATOM 618 CD2 LEU A 97 27.940 8.888 -4.731 1.00 0.00 C ATOM 0 H LEU A 97 31.710 8.060 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 97 29.633 6.768 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 97 29.974 9.176 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 97 30.277 9.647 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 97 27.756 8.245 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 97 26.678 10.450 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 97 27.947 10.447 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 97 28.262 11.188 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 97 26.865 8.983 -4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 97 28.456 9.663 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 97 28.270 7.908 -5.075 1.00 0.00 H new ATOM 630 N ASN A 98 31.866 8.070 -5.129 1.00 0.00 N ATOM 631 CA ASN A 98 32.345 8.044 -6.506 1.00 0.00 C ATOM 632 C ASN A 98 32.985 6.698 -6.833 1.00 0.00 C ATOM 633 O ASN A 98 32.937 6.237 -7.974 1.00 0.00 O ATOM 634 CB ASN A 98 33.353 9.171 -6.738 1.00 0.00 C ATOM 635 CG ASN A 98 32.686 10.465 -7.163 1.00 0.00 C ATOM 636 OD1 ASN A 98 31.618 10.819 -6.665 1.00 0.00 O ATOM 637 ND2 ASN A 98 33.316 11.178 -8.090 1.00 0.00 N ATOM 0 H ASN A 98 32.446 8.615 -4.491 1.00 0.00 H new ATOM 0 HA ASN A 98 31.490 8.189 -7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 98 33.920 9.341 -5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 98 34.066 8.865 -7.503 1.00 0.00 H new ATOM 0 HD21 ASN A 98 32.916 12.058 -8.416 1.00 0.00 H new ATOM 0 HD22 ASN A 98 34.200 10.846 -8.475 1.00 0.00 H new ATOM 644 N TYR A 99 33.583 6.073 -5.826 1.00 0.00 N ATOM 645 CA TYR A 99 34.235 4.781 -6.006 1.00 0.00 C ATOM 646 C TYR A 99 33.209 3.690 -6.298 1.00 0.00 C ATOM 647 O TYR A 99 33.517 2.689 -6.947 1.00 0.00 O ATOM 648 CB TYR A 99 35.044 4.416 -4.761 1.00 0.00 C ATOM 649 CG TYR A 99 36.537 4.581 -4.939 1.00 0.00 C ATOM 650 CD1 TYR A 99 37.235 3.816 -5.865 1.00 0.00 C ATOM 651 CD2 TYR A 99 37.249 5.503 -4.182 1.00 0.00 C ATOM 652 CE1 TYR A 99 38.598 3.963 -6.030 1.00 0.00 C ATOM 653 CE2 TYR A 99 38.612 5.658 -4.341 1.00 0.00 C ATOM 654 CZ TYR A 99 39.282 4.885 -5.267 1.00 0.00 C ATOM 655 OH TYR A 99 40.641 5.035 -5.429 1.00 0.00 O ATOM 0 H TYR A 99 33.630 6.440 -4.875 1.00 0.00 H new ATOM 0 HA TYR A 99 34.910 4.858 -6.859 1.00 0.00 H new ATOM 0 HB2 TYR A 99 34.715 5.038 -3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 99 34.831 3.382 -4.490 1.00 0.00 H new ATOM 0 HD1 TYR A 99 36.702 3.094 -6.466 1.00 0.00 H new ATOM 0 HD2 TYR A 99 36.727 6.109 -3.456 1.00 0.00 H new ATOM 0 HE1 TYR A 99 39.125 3.359 -6.753 1.00 0.00 H new ATOM 0 HE2 TYR A 99 39.150 6.380 -3.744 1.00 0.00 H new ATOM 0 HH TYR A 99 40.969 5.726 -4.816 1.00 0.00 H new ATOM 665 N LEU A 100 31.988 3.891 -5.814 1.00 0.00 N ATOM 666 CA LEU A 100 30.915 2.925 -6.022 1.00 0.00 C ATOM 667 C LEU A 100 29.550 3.575 -5.815 1.00 0.00 C ATOM 668 O LEU A 100 29.364 4.370 -4.895 1.00 0.00 O ATOM 669 CB LEU A 100 31.077 1.739 -5.070 1.00 0.00 C ATOM 670 CG LEU A 100 30.169 0.537 -5.334 1.00 0.00 C ATOM 671 CD1 LEU A 100 30.356 0.028 -6.755 1.00 0.00 C ATOM 672 CD2 LEU A 100 30.445 -0.571 -4.328 1.00 0.00 C ATOM 0 H LEU A 100 31.717 4.714 -5.275 1.00 0.00 H new ATOM 0 HA LEU A 100 30.975 2.568 -7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 100 32.113 1.403 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 100 30.898 2.088 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 100 29.133 0.856 -5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 100 29.702 -0.827 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 100 30.107 0.820 -7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 100 31.393 -0.274 -6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 100 29.790 -1.418 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 100 31.485 -0.888 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 100 30.258 -0.202 -3.320 1.00 0.00 H new ATOM 684 N ASN A 101 28.599 3.228 -6.676 1.00 0.00 N ATOM 685 CA ASN A 101 27.250 3.777 -6.587 1.00 0.00 C ATOM 686 C ASN A 101 26.439 3.055 -5.516 1.00 0.00 C ATOM 687 O ASN A 101 25.910 3.680 -4.597 1.00 0.00 O ATOM 688 CB ASN A 101 26.542 3.668 -7.939 1.00 0.00 C ATOM 689 CG ASN A 101 26.752 2.316 -8.594 1.00 0.00 C ATOM 690 OD1 ASN A 101 27.786 2.067 -9.212 1.00 0.00 O ATOM 691 ND2 ASN A 101 25.766 1.436 -8.460 1.00 0.00 N ATOM 0 H ASN A 101 28.737 2.570 -7.443 1.00 0.00 H new ATOM 0 HA ASN A 101 27.330 4.828 -6.310 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.474 3.841 -7.802 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.909 4.451 -8.602 1.00 0.00 H new ATOM 0 HD21 ASN A 101 25.849 0.510 -8.879 1.00 0.00 H new ATOM 0 HD22 ASN A 101 24.926 1.687 -7.938 1.00 0.00 H new ATOM 698 N GLU A 102 26.347 1.734 -5.641 1.00 0.00 N ATOM 699 CA GLU A 102 25.599 0.927 -4.683 1.00 0.00 C ATOM 700 C GLU A 102 26.007 1.265 -3.252 1.00 0.00 C ATOM 701 O GLU A 102 25.159 1.427 -2.374 1.00 0.00 O ATOM 702 CB GLU A 102 25.825 -0.562 -4.952 1.00 0.00 C ATOM 703 CG GLU A 102 27.289 -0.935 -5.121 1.00 0.00 C ATOM 704 CD GLU A 102 27.483 -2.406 -5.434 1.00 0.00 C ATOM 705 OE1 GLU A 102 26.818 -3.243 -4.790 1.00 0.00 O ATOM 706 OE2 GLU A 102 28.301 -2.719 -6.325 1.00 0.00 O ATOM 0 H GLU A 102 26.780 1.201 -6.395 1.00 0.00 H new ATOM 0 HA GLU A 102 24.540 1.154 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 102 25.404 -1.139 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 102 25.280 -0.847 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 102 27.723 -0.336 -5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 102 27.831 -0.687 -4.209 1.00 0.00 H new ATOM 713 N LYS A 103 27.312 1.369 -3.024 1.00 0.00 N ATOM 714 CA LYS A 103 27.835 1.687 -1.701 1.00 0.00 C ATOM 715 C LYS A 103 27.841 3.194 -1.466 1.00 0.00 C ATOM 716 O LYS A 103 28.767 3.892 -1.875 1.00 0.00 O ATOM 717 CB LYS A 103 29.251 1.130 -1.542 1.00 0.00 C ATOM 718 CG LYS A 103 29.290 -0.291 -1.007 1.00 0.00 C ATOM 719 CD LYS A 103 30.715 -0.805 -0.891 1.00 0.00 C ATOM 720 CE LYS A 103 30.849 -1.827 0.228 1.00 0.00 C ATOM 721 NZ LYS A 103 30.253 -3.139 -0.145 1.00 0.00 N ATOM 0 H LYS A 103 28.027 1.237 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 103 27.184 1.224 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 103 29.754 1.159 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 103 29.814 1.778 -0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 103 28.809 -0.326 -0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 103 28.719 -0.945 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 103 31.018 -1.256 -1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 103 31.390 0.030 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 103 31.903 -1.963 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 103 30.361 -1.448 1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 30.365 -3.808 0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 29.242 -3.014 -0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 30.736 -3.513 -0.987 1.00 0.00 H new ATOM 735 N GLY A 104 26.800 3.690 -0.803 1.00 0.00 N ATOM 736 CA GLY A 104 26.706 5.111 -0.525 1.00 0.00 C ATOM 737 C GLY A 104 25.349 5.506 0.024 1.00 0.00 C ATOM 738 O GLY A 104 25.134 5.493 1.236 1.00 0.00 O ATOM 0 H GLY A 104 26.020 3.133 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 104 27.479 5.390 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 104 26.901 5.671 -1.440 1.00 0.00 H new ATOM 742 N PHE A 105 24.432 5.860 -0.870 1.00 0.00 N ATOM 743 CA PHE A 105 23.089 6.264 -0.469 1.00 0.00 C ATOM 744 C PHE A 105 22.482 5.249 0.496 1.00 0.00 C ATOM 745 O PHE A 105 21.993 5.610 1.567 1.00 0.00 O ATOM 746 CB PHE A 105 22.191 6.417 -1.698 1.00 0.00 C ATOM 747 CG PHE A 105 20.732 6.543 -1.363 1.00 0.00 C ATOM 748 CD1 PHE A 105 20.293 7.511 -0.475 1.00 0.00 C ATOM 749 CD2 PHE A 105 19.800 5.693 -1.936 1.00 0.00 C ATOM 750 CE1 PHE A 105 18.952 7.629 -0.164 1.00 0.00 C ATOM 751 CE2 PHE A 105 18.457 5.806 -1.629 1.00 0.00 C ATOM 752 CZ PHE A 105 18.032 6.776 -0.742 1.00 0.00 C ATOM 0 H PHE A 105 24.594 5.875 -1.877 1.00 0.00 H new ATOM 0 HA PHE A 105 23.162 7.225 0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 105 22.504 7.297 -2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 105 22.333 5.556 -2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 105 21.007 8.181 -0.020 1.00 0.00 H new ATOM 0 HD2 PHE A 105 20.127 4.933 -2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 105 18.623 8.388 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 105 17.741 5.137 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 105 16.983 6.867 -0.501 1.00 0.00 H new ATOM 762 N LEU A 106 22.516 3.979 0.107 1.00 0.00 N ATOM 763 CA LEU A 106 21.968 2.911 0.936 1.00 0.00 C ATOM 764 C LEU A 106 23.012 1.829 1.189 1.00 0.00 C ATOM 765 O LEU A 106 22.690 0.642 1.243 1.00 0.00 O ATOM 766 CB LEU A 106 20.736 2.300 0.267 1.00 0.00 C ATOM 767 CG LEU A 106 19.548 2.010 1.186 1.00 0.00 C ATOM 768 CD1 LEU A 106 19.967 1.098 2.329 1.00 0.00 C ATOM 769 CD2 LEU A 106 18.960 3.306 1.723 1.00 0.00 C ATOM 0 H LEU A 106 22.917 3.664 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 106 21.677 3.341 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.403 2.975 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.033 1.368 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 106 18.780 1.500 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 106 19.109 0.903 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 106 20.340 0.156 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 106 20.753 1.580 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 106 18.116 3.080 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 106 19.721 3.844 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 106 18.621 3.924 0.891 1.00 0.00 H new ATOM 781 N SER A 107 24.264 2.247 1.346 1.00 0.00 N ATOM 782 CA SER A 107 25.357 1.313 1.592 1.00 0.00 C ATOM 783 C SER A 107 25.075 0.460 2.826 1.00 0.00 C ATOM 784 O SER A 107 24.029 0.592 3.460 1.00 0.00 O ATOM 785 CB SER A 107 26.673 2.071 1.772 1.00 0.00 C ATOM 786 OG SER A 107 26.439 3.440 2.050 1.00 0.00 O ATOM 0 H SER A 107 24.547 3.226 1.307 1.00 0.00 H new ATOM 0 HA SER A 107 25.441 0.654 0.728 1.00 0.00 H new ATOM 0 HB2 SER A 107 27.245 1.624 2.585 1.00 0.00 H new ATOM 0 HB3 SER A 107 27.276 1.978 0.869 1.00 0.00 H new ATOM 0 HG SER A 107 27.285 3.932 2.004 1.00 0.00 H new ATOM 792 N LYS A 108 26.017 -0.415 3.160 1.00 0.00 N ATOM 793 CA LYS A 108 25.874 -1.290 4.317 1.00 0.00 C ATOM 794 C LYS A 108 26.116 -0.523 5.613 1.00 0.00 C ATOM 795 O LYS A 108 26.022 0.704 5.645 1.00 0.00 O ATOM 796 CB LYS A 108 26.849 -2.465 4.218 1.00 0.00 C ATOM 797 CG LYS A 108 26.903 -3.097 2.838 1.00 0.00 C ATOM 798 CD LYS A 108 25.572 -3.722 2.458 1.00 0.00 C ATOM 799 CE LYS A 108 24.871 -2.925 1.369 1.00 0.00 C ATOM 800 NZ LYS A 108 23.401 -2.854 1.592 1.00 0.00 N ATOM 0 H LYS A 108 26.889 -0.537 2.645 1.00 0.00 H new ATOM 0 HA LYS A 108 24.853 -1.673 4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 108 27.847 -2.122 4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 108 26.564 -3.225 4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 108 27.174 -2.341 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 108 27.683 -3.858 2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 108 25.734 -4.744 2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 108 24.931 -3.779 3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 108 25.282 -1.916 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 108 25.069 -3.382 0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 22.960 -2.302 0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 23.004 -3.815 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 23.210 -2.395 2.505 1.00 0.00 H new ATOM 814 N SER A 109 26.430 -1.253 6.678 1.00 0.00 N ATOM 815 CA SER A 109 26.684 -0.640 7.977 1.00 0.00 C ATOM 816 C SER A 109 27.915 0.260 7.922 1.00 0.00 C ATOM 817 O SER A 109 28.772 0.107 7.051 1.00 0.00 O ATOM 818 CB SER A 109 26.874 -1.719 9.045 1.00 0.00 C ATOM 819 OG SER A 109 25.652 -2.381 9.323 1.00 0.00 O ATOM 0 H SER A 109 26.515 -2.269 6.667 1.00 0.00 H new ATOM 0 HA SER A 109 25.820 -0.029 8.238 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.615 -2.443 8.707 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.263 -1.267 9.958 1.00 0.00 H new ATOM 0 HG SER A 109 25.800 -3.067 10.007 1.00 0.00 H new ATOM 825 N VAL A 110 27.996 1.199 8.859 1.00 0.00 N ATOM 826 CA VAL A 110 29.121 2.124 8.920 1.00 0.00 C ATOM 827 C VAL A 110 30.449 1.375 8.890 1.00 0.00 C ATOM 828 O VAL A 110 31.420 1.838 8.292 1.00 0.00 O ATOM 829 CB VAL A 110 29.064 2.995 10.188 1.00 0.00 C ATOM 830 CG1 VAL A 110 27.837 3.894 10.164 1.00 0.00 C ATOM 831 CG2 VAL A 110 29.072 2.123 11.434 1.00 0.00 C ATOM 0 H VAL A 110 27.295 1.339 9.587 1.00 0.00 H new ATOM 0 HA VAL A 110 29.050 2.768 8.043 1.00 0.00 H new ATOM 0 HB VAL A 110 29.949 3.630 10.211 1.00 0.00 H new ATOM 0 HG11 VAL A 110 27.814 4.502 11.068 1.00 0.00 H new ATOM 0 HG12 VAL A 110 27.879 4.544 9.290 1.00 0.00 H new ATOM 0 HG13 VAL A 110 26.937 3.280 10.116 1.00 0.00 H new ATOM 0 HG21 VAL A 110 29.031 2.755 12.321 1.00 0.00 H new ATOM 0 HG22 VAL A 110 28.206 1.461 11.420 1.00 0.00 H new ATOM 0 HG23 VAL A 110 29.984 1.527 11.455 1.00 0.00 H new ATOM 841 N GLU A 111 30.484 0.216 9.539 1.00 0.00 N ATOM 842 CA GLU A 111 31.694 -0.597 9.587 1.00 0.00 C ATOM 843 C GLU A 111 32.165 -0.953 8.180 1.00 0.00 C ATOM 844 O GLU A 111 33.341 -0.796 7.850 1.00 0.00 O ATOM 845 CB GLU A 111 31.446 -1.874 10.392 1.00 0.00 C ATOM 846 CG GLU A 111 31.200 -1.623 11.870 1.00 0.00 C ATOM 847 CD GLU A 111 31.546 -2.823 12.731 1.00 0.00 C ATOM 848 OE1 GLU A 111 30.687 -3.719 12.870 1.00 0.00 O ATOM 849 OE2 GLU A 111 32.674 -2.865 13.265 1.00 0.00 O ATOM 0 H GLU A 111 29.689 -0.181 10.039 1.00 0.00 H new ATOM 0 HA GLU A 111 32.474 -0.014 10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 111 30.586 -2.397 9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 111 32.306 -2.535 10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 111 31.792 -0.766 12.193 1.00 0.00 H new ATOM 0 HG3 GLU A 111 30.153 -1.362 12.021 1.00 0.00 H new ATOM 856 N GLU A 112 31.240 -1.433 7.355 1.00 0.00 N ATOM 857 CA GLU A 112 31.561 -1.813 5.985 1.00 0.00 C ATOM 858 C GLU A 112 32.249 -0.666 5.249 1.00 0.00 C ATOM 859 O GLU A 112 33.373 -0.809 4.767 1.00 0.00 O ATOM 860 CB GLU A 112 30.293 -2.226 5.235 1.00 0.00 C ATOM 861 CG GLU A 112 29.882 -3.668 5.483 1.00 0.00 C ATOM 862 CD GLU A 112 30.077 -4.091 6.926 1.00 0.00 C ATOM 863 OE1 GLU A 112 29.443 -3.483 7.814 1.00 0.00 O ATOM 864 OE2 GLU A 112 30.865 -5.029 7.168 1.00 0.00 O ATOM 0 H GLU A 112 30.262 -1.568 7.612 1.00 0.00 H new ATOM 0 HA GLU A 112 32.245 -2.661 6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 112 29.476 -1.568 5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 112 30.449 -2.080 4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 112 28.835 -3.795 5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 112 30.463 -4.324 4.835 1.00 0.00 H new ATOM 871 N ILE A 113 31.565 0.470 5.167 1.00 0.00 N ATOM 872 CA ILE A 113 32.109 1.642 4.492 1.00 0.00 C ATOM 873 C ILE A 113 33.480 2.011 5.050 1.00 0.00 C ATOM 874 O ILE A 113 34.433 2.214 4.298 1.00 0.00 O ATOM 875 CB ILE A 113 31.170 2.855 4.624 1.00 0.00 C ATOM 876 CG1 ILE A 113 29.880 2.617 3.835 1.00 0.00 C ATOM 877 CG2 ILE A 113 31.866 4.119 4.143 1.00 0.00 C ATOM 878 CD1 ILE A 113 28.637 3.092 4.553 1.00 0.00 C ATOM 0 H ILE A 113 30.633 0.604 5.560 1.00 0.00 H new ATOM 0 HA ILE A 113 32.206 1.382 3.438 1.00 0.00 H new ATOM 0 HB ILE A 113 30.912 2.984 5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 113 29.952 3.127 2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 113 29.784 1.552 3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 113 31.189 4.967 4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 113 32.758 4.294 4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 113 32.150 4.002 3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 113 27.761 2.892 3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 113 28.541 2.564 5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 113 28.712 4.163 4.740 1.00 0.00 H new ATOM 890 N SER A 114 33.571 2.095 6.373 1.00 0.00 N ATOM 891 CA SER A 114 34.824 2.441 7.033 1.00 0.00 C ATOM 892 C SER A 114 35.932 1.468 6.641 1.00 0.00 C ATOM 893 O SER A 114 37.049 1.877 6.324 1.00 0.00 O ATOM 894 CB SER A 114 34.643 2.440 8.552 1.00 0.00 C ATOM 895 OG SER A 114 35.431 1.431 9.159 1.00 0.00 O ATOM 0 H SER A 114 32.791 1.928 7.009 1.00 0.00 H new ATOM 0 HA SER A 114 35.111 3.441 6.709 1.00 0.00 H new ATOM 0 HB2 SER A 114 34.920 3.414 8.955 1.00 0.00 H new ATOM 0 HB3 SER A 114 33.593 2.281 8.796 1.00 0.00 H new ATOM 0 HG SER A 114 36.343 1.764 9.291 1.00 0.00 H new ATOM 901 N ASP A 115 35.613 0.179 6.663 1.00 0.00 N ATOM 902 CA ASP A 115 36.579 -0.854 6.309 1.00 0.00 C ATOM 903 C ASP A 115 36.984 -0.740 4.843 1.00 0.00 C ATOM 904 O ASP A 115 38.114 -1.058 4.473 1.00 0.00 O ATOM 905 CB ASP A 115 35.999 -2.242 6.585 1.00 0.00 C ATOM 906 CG ASP A 115 36.892 -3.076 7.481 1.00 0.00 C ATOM 907 OD1 ASP A 115 37.389 -2.536 8.492 1.00 0.00 O ATOM 908 OD2 ASP A 115 37.096 -4.269 7.172 1.00 0.00 O ATOM 0 H ASP A 115 34.692 -0.176 6.922 1.00 0.00 H new ATOM 0 HA ASP A 115 37.467 -0.712 6.925 1.00 0.00 H new ATOM 0 HB2 ASP A 115 35.019 -2.137 7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 115 35.849 -2.764 5.640 1.00 0.00 H new ATOM 913 N VAL A 116 36.052 -0.285 4.011 1.00 0.00 N ATOM 914 CA VAL A 116 36.312 -0.129 2.585 1.00 0.00 C ATOM 915 C VAL A 116 37.168 1.102 2.313 1.00 0.00 C ATOM 916 O VAL A 116 38.000 1.106 1.405 1.00 0.00 O ATOM 917 CB VAL A 116 35.000 -0.016 1.785 1.00 0.00 C ATOM 918 CG1 VAL A 116 35.292 0.186 0.306 1.00 0.00 C ATOM 919 CG2 VAL A 116 34.135 -1.248 2.003 1.00 0.00 C ATOM 0 H VAL A 116 35.111 -0.018 4.300 1.00 0.00 H new ATOM 0 HA VAL A 116 36.851 -1.020 2.262 1.00 0.00 H new ATOM 0 HB VAL A 116 34.450 0.854 2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 116 34.353 0.264 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 116 35.868 1.101 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 116 35.864 -0.662 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 116 33.213 -1.151 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 116 34.675 -2.135 1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 116 33.896 -1.342 3.062 1.00 0.00 H new ATOM 929 N LEU A 117 36.960 2.147 3.106 1.00 0.00 N ATOM 930 CA LEU A 117 37.713 3.387 2.953 1.00 0.00 C ATOM 931 C LEU A 117 38.963 3.376 3.827 1.00 0.00 C ATOM 932 O LEU A 117 39.754 4.320 3.808 1.00 0.00 O ATOM 933 CB LEU A 117 36.837 4.588 3.311 1.00 0.00 C ATOM 934 CG LEU A 117 36.697 5.663 2.233 1.00 0.00 C ATOM 935 CD1 LEU A 117 36.274 5.041 0.911 1.00 0.00 C ATOM 936 CD2 LEU A 117 35.701 6.728 2.667 1.00 0.00 C ATOM 0 H LEU A 117 36.276 2.160 3.862 1.00 0.00 H new ATOM 0 HA LEU A 117 38.021 3.469 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 117 35.841 4.223 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 117 37.243 5.053 4.209 1.00 0.00 H new ATOM 0 HG LEU A 117 37.668 6.139 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 117 36.179 5.821 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 117 37.024 4.317 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 117 35.315 4.538 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 117 35.615 7.485 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 117 34.727 6.268 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 117 36.047 7.195 3.589 1.00 0.00 H new ATOM 948 N ARG A 118 39.136 2.302 4.590 1.00 0.00 N ATOM 949 CA ARG A 118 40.290 2.168 5.471 1.00 0.00 C ATOM 950 C ARG A 118 40.353 3.324 6.465 1.00 0.00 C ATOM 951 O ARG A 118 41.408 3.614 7.030 1.00 0.00 O ATOM 952 CB ARG A 118 41.581 2.117 4.651 1.00 0.00 C ATOM 953 CG ARG A 118 41.834 0.768 3.997 1.00 0.00 C ATOM 954 CD ARG A 118 42.504 0.923 2.641 1.00 0.00 C ATOM 955 NE ARG A 118 43.078 -0.334 2.168 1.00 0.00 N ATOM 956 CZ ARG A 118 43.545 -0.510 0.937 1.00 0.00 C ATOM 957 NH1 ARG A 118 43.508 0.484 0.061 1.00 0.00 N ATOM 958 NH2 ARG A 118 44.052 -1.684 0.580 1.00 0.00 N ATOM 0 H ARG A 118 38.492 1.512 4.616 1.00 0.00 H new ATOM 0 HA ARG A 118 40.183 1.237 6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 118 41.541 2.884 3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 118 42.423 2.361 5.299 1.00 0.00 H new ATOM 0 HG2 ARG A 118 42.463 0.159 4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 118 40.889 0.237 3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 118 41.775 1.284 1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 118 43.288 1.677 2.708 1.00 0.00 H new ATOM 0 HE ARG A 118 43.123 -1.119 2.818 1.00 0.00 H new ATOM 0 HH11 ARG A 118 43.120 1.388 0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 118 43.868 0.345 -0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 118 44.083 -2.451 1.251 1.00 0.00 H new ATOM 0 HH22 ARG A 118 44.410 -1.818 -0.365 1.00 0.00 H new ATOM 972 N CYS A 119 39.216 3.980 6.674 1.00 0.00 N ATOM 973 CA CYS A 119 39.142 5.105 7.599 1.00 0.00 C ATOM 974 C CYS A 119 38.328 4.739 8.836 1.00 0.00 C ATOM 975 O CYS A 119 37.622 3.731 8.851 1.00 0.00 O ATOM 976 CB CYS A 119 38.523 6.321 6.907 1.00 0.00 C ATOM 977 SG CYS A 119 39.166 7.908 7.488 1.00 0.00 S ATOM 0 H CYS A 119 38.334 3.752 6.216 1.00 0.00 H new ATOM 0 HA CYS A 119 40.156 5.352 7.914 1.00 0.00 H new ATOM 0 HB2 CYS A 119 38.696 6.242 5.834 1.00 0.00 H new ATOM 0 HB3 CYS A 119 37.444 6.301 7.058 1.00 0.00 H new ATOM 0 HG CYS A 119 38.192 8.765 7.575 1.00 0.00 H new ATOM 983 N SER A 120 38.433 5.565 9.872 1.00 0.00 N ATOM 984 CA SER A 120 37.710 5.326 11.116 1.00 0.00 C ATOM 985 C SER A 120 36.204 5.321 10.877 1.00 0.00 C ATOM 986 O SER A 120 35.690 6.088 10.062 1.00 0.00 O ATOM 987 CB SER A 120 38.071 6.391 12.153 1.00 0.00 C ATOM 988 OG SER A 120 39.454 6.360 12.457 1.00 0.00 O ATOM 0 H SER A 120 39.011 6.405 9.875 1.00 0.00 H new ATOM 0 HA SER A 120 38.003 4.347 11.495 1.00 0.00 H new ATOM 0 HB2 SER A 120 37.801 7.377 11.775 1.00 0.00 H new ATOM 0 HB3 SER A 120 37.492 6.228 13.062 1.00 0.00 H new ATOM 0 HG SER A 120 39.659 7.051 13.121 1.00 0.00 H new ATOM 994 N VAL A 121 35.500 4.450 11.594 1.00 0.00 N ATOM 995 CA VAL A 121 34.052 4.345 11.462 1.00 0.00 C ATOM 996 C VAL A 121 33.361 5.613 11.953 1.00 0.00 C ATOM 997 O VAL A 121 32.406 6.088 11.340 1.00 0.00 O ATOM 998 CB VAL A 121 33.503 3.138 12.246 1.00 0.00 C ATOM 999 CG1 VAL A 121 31.982 3.154 12.254 1.00 0.00 C ATOM 1000 CG2 VAL A 121 34.028 1.838 11.658 1.00 0.00 C ATOM 0 H VAL A 121 35.909 3.807 12.272 1.00 0.00 H new ATOM 0 HA VAL A 121 33.840 4.207 10.402 1.00 0.00 H new ATOM 0 HB VAL A 121 33.848 3.209 13.277 1.00 0.00 H new ATOM 0 HG11 VAL A 121 31.612 2.294 12.812 1.00 0.00 H new ATOM 0 HG12 VAL A 121 31.630 4.072 12.726 1.00 0.00 H new ATOM 0 HG13 VAL A 121 31.612 3.108 11.230 1.00 0.00 H new ATOM 0 HG21 VAL A 121 33.630 0.996 12.224 1.00 0.00 H new ATOM 0 HG22 VAL A 121 33.714 1.756 10.617 1.00 0.00 H new ATOM 0 HG23 VAL A 121 35.117 1.828 11.710 1.00 0.00 H new ATOM 1010 N GLU A 122 33.852 6.155 13.063 1.00 0.00 N ATOM 1011 CA GLU A 122 33.282 7.369 13.636 1.00 0.00 C ATOM 1012 C GLU A 122 33.107 8.445 12.569 1.00 0.00 C ATOM 1013 O GLU A 122 32.031 9.026 12.429 1.00 0.00 O ATOM 1014 CB GLU A 122 34.172 7.894 14.765 1.00 0.00 C ATOM 1015 CG GLU A 122 35.641 7.987 14.388 1.00 0.00 C ATOM 1016 CD GLU A 122 36.534 8.260 15.582 1.00 0.00 C ATOM 1017 OE1 GLU A 122 36.000 8.406 16.702 1.00 0.00 O ATOM 1018 OE2 GLU A 122 37.767 8.329 15.397 1.00 0.00 O ATOM 0 H GLU A 122 34.642 5.773 13.583 1.00 0.00 H new ATOM 0 HA GLU A 122 32.301 7.122 14.042 1.00 0.00 H new ATOM 0 HB2 GLU A 122 33.819 8.881 15.065 1.00 0.00 H new ATOM 0 HB3 GLU A 122 34.068 7.241 15.632 1.00 0.00 H new ATOM 0 HG2 GLU A 122 35.950 7.056 13.914 1.00 0.00 H new ATOM 0 HG3 GLU A 122 35.774 8.779 13.651 1.00 0.00 H new ATOM 1025 N GLU A 123 34.173 8.705 11.819 1.00 0.00 N ATOM 1026 CA GLU A 123 34.138 9.712 10.765 1.00 0.00 C ATOM 1027 C GLU A 123 33.029 9.410 9.761 1.00 0.00 C ATOM 1028 O GLU A 123 32.292 10.305 9.345 1.00 0.00 O ATOM 1029 CB GLU A 123 35.487 9.779 10.047 1.00 0.00 C ATOM 1030 CG GLU A 123 36.067 11.181 9.969 1.00 0.00 C ATOM 1031 CD GLU A 123 36.862 11.554 11.205 1.00 0.00 C ATOM 1032 OE1 GLU A 123 38.041 11.151 11.295 1.00 0.00 O ATOM 1033 OE2 GLU A 123 36.306 12.248 12.082 1.00 0.00 O ATOM 0 H GLU A 123 35.071 8.233 11.922 1.00 0.00 H new ATOM 0 HA GLU A 123 33.933 10.678 11.227 1.00 0.00 H new ATOM 0 HB2 GLU A 123 36.196 9.130 10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 123 35.371 9.386 9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 123 36.710 11.256 9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 123 35.257 11.898 9.833 1.00 0.00 H new ATOM 1040 N LEU A 124 32.919 8.144 9.374 1.00 0.00 N ATOM 1041 CA LEU A 124 31.901 7.723 8.418 1.00 0.00 C ATOM 1042 C LEU A 124 30.500 7.978 8.965 1.00 0.00 C ATOM 1043 O LEU A 124 29.603 8.391 8.231 1.00 0.00 O ATOM 1044 CB LEU A 124 32.069 6.239 8.085 1.00 0.00 C ATOM 1045 CG LEU A 124 31.108 5.673 7.039 1.00 0.00 C ATOM 1046 CD1 LEU A 124 29.775 5.314 7.677 1.00 0.00 C ATOM 1047 CD2 LEU A 124 30.909 6.667 5.905 1.00 0.00 C ATOM 0 H LEU A 124 33.522 7.392 9.707 1.00 0.00 H new ATOM 0 HA LEU A 124 32.027 8.310 7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 124 33.089 6.079 7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 124 31.952 5.665 9.004 1.00 0.00 H new ATOM 0 HG LEU A 124 31.545 4.764 6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 124 29.104 4.913 6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 124 29.933 4.565 8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 124 29.331 6.206 8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 124 30.222 6.248 5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 124 30.494 7.594 6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 124 31.868 6.873 5.429 1.00 0.00 H new ATOM 1059 N GLU A 125 30.322 7.730 10.259 1.00 0.00 N ATOM 1060 CA GLU A 125 29.030 7.934 10.904 1.00 0.00 C ATOM 1061 C GLU A 125 28.647 9.412 10.899 1.00 0.00 C ATOM 1062 O GLU A 125 27.488 9.764 10.681 1.00 0.00 O ATOM 1063 CB GLU A 125 29.065 7.410 12.341 1.00 0.00 C ATOM 1064 CG GLU A 125 29.753 6.063 12.482 1.00 0.00 C ATOM 1065 CD GLU A 125 28.980 5.102 13.364 1.00 0.00 C ATOM 1066 OE1 GLU A 125 27.784 4.873 13.085 1.00 0.00 O ATOM 1067 OE2 GLU A 125 29.570 4.579 14.332 1.00 0.00 O ATOM 0 H GLU A 125 31.055 7.388 10.880 1.00 0.00 H new ATOM 0 HA GLU A 125 28.279 7.380 10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 125 29.577 8.137 12.971 1.00 0.00 H new ATOM 0 HB3 GLU A 125 28.044 7.328 12.713 1.00 0.00 H new ATOM 0 HG2 GLU A 125 29.882 5.620 11.494 1.00 0.00 H new ATOM 0 HG3 GLU A 125 30.750 6.210 12.898 1.00 0.00 H new ATOM 1074 N LYS A 126 29.630 10.272 11.140 1.00 0.00 N ATOM 1075 CA LYS A 126 29.399 11.712 11.163 1.00 0.00 C ATOM 1076 C LYS A 126 28.988 12.219 9.784 1.00 0.00 C ATOM 1077 O LYS A 126 27.929 12.826 9.625 1.00 0.00 O ATOM 1078 CB LYS A 126 30.658 12.444 11.633 1.00 0.00 C ATOM 1079 CG LYS A 126 31.342 11.780 12.816 1.00 0.00 C ATOM 1080 CD LYS A 126 31.633 12.778 13.924 1.00 0.00 C ATOM 1081 CE LYS A 126 30.722 12.563 15.122 1.00 0.00 C ATOM 1082 NZ LYS A 126 30.665 13.765 15.999 1.00 0.00 N ATOM 0 H LYS A 126 30.595 9.997 11.322 1.00 0.00 H new ATOM 0 HA LYS A 126 28.587 11.913 11.862 1.00 0.00 H new ATOM 0 HB2 LYS A 126 31.363 12.506 10.804 1.00 0.00 H new ATOM 0 HB3 LYS A 126 30.394 13.466 11.904 1.00 0.00 H new ATOM 0 HG2 LYS A 126 30.709 10.981 13.202 1.00 0.00 H new ATOM 0 HG3 LYS A 126 32.273 11.318 12.487 1.00 0.00 H new ATOM 0 HD2 LYS A 126 32.673 12.684 14.235 1.00 0.00 H new ATOM 0 HD3 LYS A 126 31.504 13.792 13.545 1.00 0.00 H new ATOM 0 HE2 LYS A 126 29.718 12.319 14.775 1.00 0.00 H new ATOM 0 HE3 LYS A 126 31.077 11.709 15.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 30.034 13.578 16.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 31.619 13.984 16.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 30.302 14.574 15.456 1.00 0.00 H new ATOM 1096 N VAL A 127 29.833 11.965 8.789 1.00 0.00 N ATOM 1097 CA VAL A 127 29.556 12.393 7.424 1.00 0.00 C ATOM 1098 C VAL A 127 28.209 11.865 6.944 1.00 0.00 C ATOM 1099 O VAL A 127 27.428 12.593 6.330 1.00 0.00 O ATOM 1100 CB VAL A 127 30.655 11.920 6.454 1.00 0.00 C ATOM 1101 CG1 VAL A 127 31.966 12.635 6.741 1.00 0.00 C ATOM 1102 CG2 VAL A 127 30.831 10.411 6.543 1.00 0.00 C ATOM 0 H VAL A 127 30.715 11.465 8.904 1.00 0.00 H new ATOM 0 HA VAL A 127 29.533 13.483 7.433 1.00 0.00 H new ATOM 0 HB VAL A 127 30.349 12.168 5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 127 32.730 12.287 6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 127 31.828 13.710 6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 127 32.281 12.421 7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 127 31.611 10.094 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 127 31.114 10.137 7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 127 29.894 9.919 6.283 1.00 0.00 H new ATOM 1112 N ARG A 128 27.942 10.595 7.229 1.00 0.00 N ATOM 1113 CA ARG A 128 26.688 9.969 6.826 1.00 0.00 C ATOM 1114 C ARG A 128 25.495 10.705 7.429 1.00 0.00 C ATOM 1115 O ARG A 128 24.586 11.123 6.712 1.00 0.00 O ATOM 1116 CB ARG A 128 26.665 8.501 7.256 1.00 0.00 C ATOM 1117 CG ARG A 128 27.078 7.538 6.155 1.00 0.00 C ATOM 1118 CD ARG A 128 25.872 6.839 5.546 1.00 0.00 C ATOM 1119 NE ARG A 128 25.159 6.024 6.526 1.00 0.00 N ATOM 1120 CZ ARG A 128 24.112 5.263 6.227 1.00 0.00 C ATOM 1121 NH1 ARG A 128 23.659 5.213 4.982 1.00 0.00 N ATOM 1122 NH2 ARG A 128 23.517 4.550 7.175 1.00 0.00 N ATOM 0 H ARG A 128 28.577 9.979 7.737 1.00 0.00 H new ATOM 0 HA ARG A 128 26.616 10.024 5.740 1.00 0.00 H new ATOM 0 HB2 ARG A 128 27.330 8.371 8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 128 25.660 8.245 7.593 1.00 0.00 H new ATOM 0 HG2 ARG A 128 27.616 8.081 5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 128 27.765 6.795 6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 128 25.193 7.584 5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 128 26.198 6.209 4.719 1.00 0.00 H new ATOM 0 HE ARG A 128 25.483 6.040 7.493 1.00 0.00 H new ATOM 0 HH11 ARG A 128 24.115 5.760 4.251 1.00 0.00 H new ATOM 0 HH12 ARG A 128 22.855 4.628 4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 128 23.864 4.586 8.134 1.00 0.00 H new ATOM 0 HH22 ARG A 128 22.713 3.966 6.945 1.00 0.00 H new ATOM 1136 N GLN A 129 25.506 10.859 8.749 1.00 0.00 N ATOM 1137 CA GLN A 129 24.424 11.543 9.447 1.00 0.00 C ATOM 1138 C GLN A 129 24.248 12.963 8.919 1.00 0.00 C ATOM 1139 O GLN A 129 23.125 13.437 8.742 1.00 0.00 O ATOM 1140 CB GLN A 129 24.699 11.575 10.951 1.00 0.00 C ATOM 1141 CG GLN A 129 24.769 10.196 11.586 1.00 0.00 C ATOM 1142 CD GLN A 129 23.411 9.689 12.032 1.00 0.00 C ATOM 1143 OE1 GLN A 129 22.585 9.288 11.212 1.00 0.00 O ATOM 1144 NE2 GLN A 129 23.173 9.705 13.339 1.00 0.00 N ATOM 0 H GLN A 129 26.252 10.520 9.356 1.00 0.00 H new ATOM 0 HA GLN A 129 23.502 10.991 9.266 1.00 0.00 H new ATOM 0 HB2 GLN A 129 25.640 12.096 11.129 1.00 0.00 H new ATOM 0 HB3 GLN A 129 23.917 12.153 11.443 1.00 0.00 H new ATOM 0 HG2 GLN A 129 25.199 9.493 10.872 1.00 0.00 H new ATOM 0 HG3 GLN A 129 25.440 10.229 12.444 1.00 0.00 H new ATOM 0 HE21 GLN A 129 23.887 10.046 13.983 1.00 0.00 H new ATOM 0 HE22 GLN A 129 22.277 9.376 13.698 1.00 0.00 H new ATOM 1153 N LYS A 130 25.365 13.639 8.670 1.00 0.00 N ATOM 1154 CA LYS A 130 25.335 15.005 8.163 1.00 0.00 C ATOM 1155 C LYS A 130 24.572 15.079 6.844 1.00 0.00 C ATOM 1156 O LYS A 130 23.743 15.968 6.644 1.00 0.00 O ATOM 1157 CB LYS A 130 26.760 15.530 7.969 1.00 0.00 C ATOM 1158 CG LYS A 130 27.289 16.307 9.162 1.00 0.00 C ATOM 1159 CD LYS A 130 27.940 17.611 8.733 1.00 0.00 C ATOM 1160 CE LYS A 130 29.130 17.957 9.615 1.00 0.00 C ATOM 1161 NZ LYS A 130 28.715 18.243 11.017 1.00 0.00 N ATOM 0 H LYS A 130 26.302 13.262 8.811 1.00 0.00 H new ATOM 0 HA LYS A 130 24.821 15.627 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 130 27.424 14.689 7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 130 26.785 16.171 7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 130 26.472 16.517 9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 130 28.014 15.698 9.702 1.00 0.00 H new ATOM 0 HD2 LYS A 130 28.265 17.532 7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 130 27.207 18.416 8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 130 29.840 17.130 9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 130 29.646 18.825 9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 29.554 18.475 11.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 28.057 19.048 11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 28.245 17.406 11.417 1.00 0.00 H new ATOM 1175 N VAL A 131 24.854 14.139 5.948 1.00 0.00 N ATOM 1176 CA VAL A 131 24.192 14.097 4.650 1.00 0.00 C ATOM 1177 C VAL A 131 22.830 13.420 4.749 1.00 0.00 C ATOM 1178 O VAL A 131 22.004 13.526 3.842 1.00 0.00 O ATOM 1179 CB VAL A 131 25.048 13.354 3.607 1.00 0.00 C ATOM 1180 CG1 VAL A 131 26.399 14.032 3.443 1.00 0.00 C ATOM 1181 CG2 VAL A 131 25.219 11.895 4.001 1.00 0.00 C ATOM 0 H VAL A 131 25.537 13.396 6.097 1.00 0.00 H new ATOM 0 HA VAL A 131 24.058 15.130 4.330 1.00 0.00 H new ATOM 0 HB VAL A 131 24.532 13.390 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 131 26.989 13.493 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 131 26.252 15.060 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 131 26.925 14.030 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 131 25.826 11.385 3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 131 25.712 11.836 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 131 24.241 11.417 4.061 1.00 0.00 H new ATOM 1191 N LEU A 132 22.602 12.723 5.857 1.00 0.00 N ATOM 1192 CA LEU A 132 21.338 12.028 6.077 1.00 0.00 C ATOM 1193 C LEU A 132 20.281 12.979 6.627 1.00 0.00 C ATOM 1194 O LEU A 132 19.086 12.796 6.396 1.00 0.00 O ATOM 1195 CB LEU A 132 21.539 10.857 7.041 1.00 0.00 C ATOM 1196 CG LEU A 132 20.354 9.902 7.193 1.00 0.00 C ATOM 1197 CD1 LEU A 132 20.837 8.506 7.555 1.00 0.00 C ATOM 1198 CD2 LEU A 132 19.382 10.421 8.242 1.00 0.00 C ATOM 0 H LEU A 132 23.275 12.624 6.617 1.00 0.00 H new ATOM 0 HA LEU A 132 20.990 11.646 5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 132 22.403 10.282 6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 132 21.784 11.259 8.024 1.00 0.00 H new ATOM 0 HG LEU A 132 19.831 9.847 6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 132 19.980 7.840 7.659 1.00 0.00 H new ATOM 0 HD12 LEU A 132 21.493 8.133 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 132 21.384 8.543 8.497 1.00 0.00 H new ATOM 0 HD21 LEU A 132 18.545 9.729 8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 132 19.893 10.506 9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 132 19.010 11.400 7.941 1.00 0.00 H new ATOM 1210 N ARG A 133 20.730 13.998 7.354 1.00 0.00 N ATOM 1211 CA ARG A 133 19.823 14.979 7.936 1.00 0.00 C ATOM 1212 C ARG A 133 18.769 15.414 6.922 1.00 0.00 C ATOM 1213 O ARG A 133 17.576 15.167 7.105 1.00 0.00 O ATOM 1214 CB ARG A 133 20.604 16.198 8.430 1.00 0.00 C ATOM 1215 CG ARG A 133 21.799 15.844 9.301 1.00 0.00 C ATOM 1216 CD ARG A 133 22.000 16.863 10.411 1.00 0.00 C ATOM 1217 NE ARG A 133 21.190 16.558 11.587 1.00 0.00 N ATOM 1218 CZ ARG A 133 21.510 15.628 12.480 1.00 0.00 C ATOM 1219 NH1 ARG A 133 22.618 14.915 12.331 1.00 0.00 N ATOM 1220 NH2 ARG A 133 20.721 15.409 13.524 1.00 0.00 N ATOM 0 H ARG A 133 21.716 14.165 7.553 1.00 0.00 H new ATOM 0 HA ARG A 133 19.318 14.512 8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 133 20.949 16.771 7.569 1.00 0.00 H new ATOM 0 HB3 ARG A 133 19.932 16.845 8.995 1.00 0.00 H new ATOM 0 HG2 ARG A 133 21.654 14.855 9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 133 22.697 15.793 8.685 1.00 0.00 H new ATOM 0 HD2 ARG A 133 23.053 16.889 10.693 1.00 0.00 H new ATOM 0 HD3 ARG A 133 21.744 17.856 10.042 1.00 0.00 H new ATOM 0 HE ARG A 133 20.331 17.088 11.731 1.00 0.00 H new ATOM 0 HH11 ARG A 133 23.227 15.080 11.529 1.00 0.00 H new ATOM 0 HH12 ARG A 133 22.862 14.202 13.018 1.00 0.00 H new ATOM 0 HH21 ARG A 133 19.868 15.955 13.642 1.00 0.00 H new ATOM 0 HH22 ARG A 133 20.968 14.695 14.209 1.00 0.00 H new ATOM 1234 N LEU A 134 19.217 16.064 5.853 1.00 0.00 N ATOM 1235 CA LEU A 134 18.313 16.534 4.809 1.00 0.00 C ATOM 1236 C LEU A 134 17.369 15.421 4.364 1.00 0.00 C ATOM 1237 O LEU A 134 16.175 15.647 4.173 1.00 0.00 O ATOM 1238 CB LEU A 134 19.111 17.051 3.611 1.00 0.00 C ATOM 1239 CG LEU A 134 19.580 18.504 3.694 1.00 0.00 C ATOM 1240 CD1 LEU A 134 18.391 19.451 3.677 1.00 0.00 C ATOM 1241 CD2 LEU A 134 20.421 18.722 4.944 1.00 0.00 C ATOM 0 H LEU A 134 20.200 16.277 5.687 1.00 0.00 H new ATOM 0 HA LEU A 134 17.716 17.349 5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 134 19.986 16.415 3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 134 18.499 16.938 2.716 1.00 0.00 H new ATOM 0 HG LEU A 134 20.199 18.716 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 134 18.745 20.480 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 134 17.829 19.313 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 134 17.745 19.239 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 134 20.746 19.761 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 134 19.826 18.491 5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 134 21.294 18.070 4.914 1.00 0.00 H new ATOM 1253 N GLU A 135 17.914 14.219 4.203 1.00 0.00 N ATOM 1254 CA GLU A 135 17.119 13.071 3.782 1.00 0.00 C ATOM 1255 C GLU A 135 16.749 12.198 4.977 1.00 0.00 C ATOM 1256 O GLU A 135 16.153 12.671 5.943 1.00 0.00 O ATOM 1257 CB GLU A 135 17.886 12.244 2.749 1.00 0.00 C ATOM 1258 CG GLU A 135 18.994 11.395 3.350 1.00 0.00 C ATOM 1259 CD GLU A 135 18.658 9.916 3.356 1.00 0.00 C ATOM 1260 OE1 GLU A 135 17.764 9.514 4.130 1.00 0.00 O ATOM 1261 OE2 GLU A 135 19.289 9.161 2.587 1.00 0.00 O ATOM 0 H GLU A 135 18.901 14.015 4.357 1.00 0.00 H new ATOM 0 HA GLU A 135 16.200 13.443 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 135 17.186 11.594 2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 135 18.317 12.915 2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 135 19.914 11.553 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 135 19.186 11.724 4.371 1.00 0.00 H new TER 1268 GLU A 135