USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 476 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 32 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 63 ASN : amide:sc= -0.488 X(o=-0.49,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 40:sc= 1.1 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.0313 K(o=0.031,f=-1.3) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.69! USER MOD Single : A 50 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.045) USER MOD Single : A 51 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-1.7!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot -22:sc= -3.11 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.41) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 99:sc= 0.0133 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.0299 X(o=-0.03,f=-0.27) USER MOD Single : A 71 LYS NZ :NH3+ -113:sc= -0.111 (180deg=-1.82!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.415 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.823 5.649 9.385 1.00 0.00 N ATOM 2 CA GLY A 1 -18.958 7.069 9.658 1.00 0.00 C ATOM 3 C GLY A 1 -17.685 7.825 9.271 1.00 0.00 C ATOM 4 O GLY A 1 -16.831 8.084 10.118 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.699 5.159 9.656 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.646 5.506 8.370 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.027 5.264 9.933 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.806 7.470 9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.168 7.221 10.717 1.00 0.00 H new ATOM 8 N SER A 2 -17.600 8.158 7.992 1.00 0.00 N ATOM 9 CA SER A 2 -16.445 8.879 7.482 1.00 0.00 C ATOM 10 C SER A 2 -16.869 9.806 6.340 1.00 0.00 C ATOM 11 O SER A 2 -16.671 11.018 6.413 1.00 0.00 O ATOM 12 CB SER A 2 -15.358 7.914 7.006 1.00 0.00 C ATOM 13 OG SER A 2 -14.060 8.320 7.429 1.00 0.00 O ATOM 0 H SER A 2 -18.311 7.942 7.293 1.00 0.00 H new ATOM 0 HA SER A 2 -16.031 9.478 8.293 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.568 6.915 7.388 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.381 7.850 5.918 1.00 0.00 H new ATOM 0 HG SER A 2 -13.395 7.677 7.106 1.00 0.00 H new ATOM 18 N SER A 3 -17.446 9.200 5.313 1.00 0.00 N ATOM 19 CA SER A 3 -17.899 9.955 4.157 1.00 0.00 C ATOM 20 C SER A 3 -19.203 9.360 3.621 1.00 0.00 C ATOM 21 O SER A 3 -20.219 10.048 3.549 1.00 0.00 O ATOM 22 CB SER A 3 -16.834 9.976 3.060 1.00 0.00 C ATOM 23 OG SER A 3 -15.674 10.703 3.453 1.00 0.00 O ATOM 0 H SER A 3 -17.610 8.195 5.257 1.00 0.00 H new ATOM 0 HA SER A 3 -18.078 10.984 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.553 8.953 2.809 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.252 10.422 2.158 1.00 0.00 H new ATOM 0 HG SER A 3 -15.018 10.691 2.725 1.00 0.00 H new ATOM 28 N GLY A 4 -19.130 8.087 3.260 1.00 0.00 N ATOM 29 CA GLY A 4 -20.291 7.391 2.733 1.00 0.00 C ATOM 30 C GLY A 4 -20.092 5.875 2.784 1.00 0.00 C ATOM 31 O GLY A 4 -19.741 5.258 1.780 1.00 0.00 O ATOM 0 H GLY A 4 -18.285 7.520 3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.175 7.665 3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.471 7.703 1.704 1.00 0.00 H new ATOM 35 N SER A 5 -20.325 5.318 3.963 1.00 0.00 N ATOM 36 CA SER A 5 -20.175 3.886 4.159 1.00 0.00 C ATOM 37 C SER A 5 -21.513 3.273 4.576 1.00 0.00 C ATOM 38 O SER A 5 -22.374 3.963 5.118 1.00 0.00 O ATOM 39 CB SER A 5 -19.102 3.583 5.205 1.00 0.00 C ATOM 40 OG SER A 5 -18.084 2.725 4.694 1.00 0.00 O ATOM 0 H SER A 5 -20.617 5.833 4.793 1.00 0.00 H new ATOM 0 HA SER A 5 -19.858 3.442 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.653 4.516 5.544 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.565 3.118 6.075 1.00 0.00 H new ATOM 0 HG SER A 5 -17.417 2.557 5.392 1.00 0.00 H new ATOM 45 N SER A 6 -21.644 1.982 4.307 1.00 0.00 N ATOM 46 CA SER A 6 -22.863 1.267 4.648 1.00 0.00 C ATOM 47 C SER A 6 -22.589 0.282 5.787 1.00 0.00 C ATOM 48 O SER A 6 -21.476 -0.220 5.925 1.00 0.00 O ATOM 49 CB SER A 6 -23.426 0.530 3.432 1.00 0.00 C ATOM 50 OG SER A 6 -24.354 1.331 2.704 1.00 0.00 O ATOM 0 H SER A 6 -20.927 1.413 3.857 1.00 0.00 H new ATOM 0 HA SER A 6 -23.607 1.993 4.975 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.607 0.236 2.775 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.917 -0.387 3.759 1.00 0.00 H new ATOM 0 HG SER A 6 -24.689 0.825 1.934 1.00 0.00 H new ATOM 55 N GLY A 7 -23.627 0.035 6.574 1.00 0.00 N ATOM 56 CA GLY A 7 -23.513 -0.880 7.696 1.00 0.00 C ATOM 57 C GLY A 7 -23.702 -0.146 9.024 1.00 0.00 C ATOM 58 O GLY A 7 -23.329 1.019 9.152 1.00 0.00 O ATOM 0 H GLY A 7 -24.550 0.453 6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.259 -1.669 7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.535 -1.362 7.679 1.00 0.00 H new ATOM 62 N MET A 8 -24.282 -0.857 9.980 1.00 0.00 N ATOM 63 CA MET A 8 -24.524 -0.287 11.295 1.00 0.00 C ATOM 64 C MET A 8 -23.969 -1.191 12.396 1.00 0.00 C ATOM 65 O MET A 8 -24.699 -1.599 13.298 1.00 0.00 O ATOM 66 CB MET A 8 -26.029 -0.100 11.500 1.00 0.00 C ATOM 67 CG MET A 8 -26.756 -1.446 11.494 1.00 0.00 C ATOM 68 SD MET A 8 -27.927 -1.502 10.149 1.00 0.00 S ATOM 69 CE MET A 8 -28.493 -3.188 10.299 1.00 0.00 C ATOM 0 H MET A 8 -24.591 -1.823 9.870 1.00 0.00 H new ATOM 0 HA MET A 8 -24.016 0.676 11.352 1.00 0.00 H new ATOM 0 HB2 MET A 8 -26.210 0.410 12.446 1.00 0.00 H new ATOM 0 HB3 MET A 8 -26.430 0.537 10.712 1.00 0.00 H new ATOM 0 HG2 MET A 8 -26.035 -2.257 11.393 1.00 0.00 H new ATOM 0 HG3 MET A 8 -27.272 -1.594 12.443 1.00 0.00 H new ATOM 0 HE1 MET A 8 -29.236 -3.393 9.528 1.00 0.00 H new ATOM 0 HE2 MET A 8 -27.649 -3.867 10.179 1.00 0.00 H new ATOM 0 HE3 MET A 8 -28.941 -3.335 11.282 1.00 0.00 H new ATOM 77 N ALA A 9 -22.679 -1.480 12.286 1.00 0.00 N ATOM 78 CA ALA A 9 -22.017 -2.329 13.261 1.00 0.00 C ATOM 79 C ALA A 9 -20.501 -2.217 13.082 1.00 0.00 C ATOM 80 O ALA A 9 -20.017 -2.035 11.966 1.00 0.00 O ATOM 81 CB ALA A 9 -22.517 -3.767 13.111 1.00 0.00 C ATOM 0 H ALA A 9 -22.076 -1.141 11.536 1.00 0.00 H new ATOM 0 HA ALA A 9 -22.255 -2.006 14.275 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -22.020 -4.403 13.843 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -23.594 -3.797 13.276 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -22.294 -4.127 12.107 1.00 0.00 H new ATOM 87 N SER A 10 -19.796 -2.330 14.198 1.00 0.00 N ATOM 88 CA SER A 10 -18.346 -2.245 14.178 1.00 0.00 C ATOM 89 C SER A 10 -17.742 -3.391 14.992 1.00 0.00 C ATOM 90 O SER A 10 -17.514 -3.250 16.192 1.00 0.00 O ATOM 91 CB SER A 10 -17.867 -0.896 14.721 1.00 0.00 C ATOM 92 OG SER A 10 -18.201 -0.726 16.096 1.00 0.00 O ATOM 0 H SER A 10 -20.202 -2.480 15.122 1.00 0.00 H new ATOM 0 HA SER A 10 -18.012 -2.329 13.144 1.00 0.00 H new ATOM 0 HB2 SER A 10 -16.787 -0.818 14.598 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.313 -0.091 14.137 1.00 0.00 H new ATOM 0 HG SER A 10 -18.065 -1.571 16.573 1.00 0.00 H new ATOM 97 N GLU A 11 -17.501 -4.498 14.307 1.00 0.00 N ATOM 98 CA GLU A 11 -16.928 -5.668 14.952 1.00 0.00 C ATOM 99 C GLU A 11 -16.597 -6.740 13.911 1.00 0.00 C ATOM 100 O GLU A 11 -17.432 -7.588 13.602 1.00 0.00 O ATOM 101 CB GLU A 11 -17.870 -6.218 16.025 1.00 0.00 C ATOM 102 CG GLU A 11 -17.389 -5.833 17.425 1.00 0.00 C ATOM 103 CD GLU A 11 -17.526 -7.009 18.394 1.00 0.00 C ATOM 104 OE1 GLU A 11 -18.676 -7.277 18.804 1.00 0.00 O ATOM 105 OE2 GLU A 11 -16.477 -7.614 18.705 1.00 0.00 O ATOM 0 H GLU A 11 -17.692 -4.610 13.311 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.002 -5.371 15.445 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.876 -5.832 15.863 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.928 -7.303 15.942 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.348 -5.513 17.381 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.968 -4.985 17.792 1.00 0.00 H new ATOM 110 N GLU A 12 -15.377 -6.665 13.400 1.00 0.00 N ATOM 111 CA GLU A 12 -14.926 -7.618 12.400 1.00 0.00 C ATOM 112 C GLU A 12 -13.770 -8.456 12.951 1.00 0.00 C ATOM 113 O GLU A 12 -13.303 -8.221 14.063 1.00 0.00 O ATOM 114 CB GLU A 12 -14.521 -6.907 11.108 1.00 0.00 C ATOM 115 CG GLU A 12 -15.637 -6.986 10.065 1.00 0.00 C ATOM 116 CD GLU A 12 -15.063 -7.031 8.648 1.00 0.00 C ATOM 117 OE1 GLU A 12 -14.476 -8.081 8.306 1.00 0.00 O ATOM 118 OE2 GLU A 12 -15.222 -6.015 7.939 1.00 0.00 O ATOM 0 H GLU A 12 -14.687 -5.960 13.659 1.00 0.00 H new ATOM 0 HA GLU A 12 -15.754 -8.286 12.163 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.290 -5.863 11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.613 -7.359 10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.244 -7.874 10.243 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.296 -6.124 10.167 1.00 0.00 H new ATOM 123 N LEU A 13 -13.342 -9.417 12.144 1.00 0.00 N ATOM 124 CA LEU A 13 -12.250 -10.292 12.536 1.00 0.00 C ATOM 125 C LEU A 13 -10.999 -9.452 12.798 1.00 0.00 C ATOM 126 O LEU A 13 -10.471 -9.446 13.909 1.00 0.00 O ATOM 127 CB LEU A 13 -12.045 -11.393 11.494 1.00 0.00 C ATOM 128 CG LEU A 13 -12.337 -11.006 10.043 1.00 0.00 C ATOM 129 CD1 LEU A 13 -11.285 -11.588 9.098 1.00 0.00 C ATOM 130 CD2 LEU A 13 -13.757 -11.414 9.642 1.00 0.00 C ATOM 0 H LEU A 13 -13.732 -9.608 11.221 1.00 0.00 H new ATOM 0 HA LEU A 13 -12.489 -10.807 13.466 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.013 -11.737 11.557 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.680 -12.239 11.758 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.278 -9.921 9.960 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.516 -11.298 8.073 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.301 -11.206 9.370 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.287 -12.675 9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.939 -11.128 8.606 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.868 -12.493 9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.476 -10.912 10.289 1.00 0.00 H new ATOM 141 N TYR A 14 -10.560 -8.762 11.756 1.00 0.00 N ATOM 142 CA TYR A 14 -9.380 -7.919 11.859 1.00 0.00 C ATOM 143 C TYR A 14 -9.317 -6.920 10.702 1.00 0.00 C ATOM 144 O TYR A 14 -9.570 -7.277 9.553 1.00 0.00 O ATOM 145 CB TYR A 14 -8.180 -8.863 11.767 1.00 0.00 C ATOM 146 CG TYR A 14 -8.306 -10.117 12.633 1.00 0.00 C ATOM 147 CD1 TYR A 14 -8.001 -10.062 13.978 1.00 0.00 C ATOM 148 CD2 TYR A 14 -8.727 -11.305 12.070 1.00 0.00 C ATOM 149 CE1 TYR A 14 -8.120 -11.243 14.793 1.00 0.00 C ATOM 150 CE2 TYR A 14 -8.847 -12.486 12.885 1.00 0.00 C ATOM 151 CZ TYR A 14 -8.538 -12.397 14.206 1.00 0.00 C ATOM 152 OH TYR A 14 -8.651 -13.512 14.976 1.00 0.00 O ATOM 0 H TYR A 14 -11.000 -8.769 10.836 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.395 -7.349 12.788 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.046 -9.164 10.728 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.281 -8.321 12.060 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.673 -9.133 14.419 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.966 -11.349 11.018 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.883 -11.213 15.846 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.175 -13.422 12.457 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.960 -14.261 14.424 1.00 0.00 H new ATOM 161 N GLU A 15 -8.980 -5.686 11.048 1.00 0.00 N ATOM 162 CA GLU A 15 -8.880 -4.631 10.052 1.00 0.00 C ATOM 163 C GLU A 15 -7.527 -3.924 10.160 1.00 0.00 C ATOM 164 O GLU A 15 -7.029 -3.695 11.261 1.00 0.00 O ATOM 165 CB GLU A 15 -10.032 -3.634 10.193 1.00 0.00 C ATOM 166 CG GLU A 15 -9.915 -2.841 11.496 1.00 0.00 C ATOM 167 CD GLU A 15 -11.135 -3.071 12.390 1.00 0.00 C ATOM 168 OE1 GLU A 15 -11.147 -4.116 13.075 1.00 0.00 O ATOM 169 OE2 GLU A 15 -12.027 -2.196 12.368 1.00 0.00 O ATOM 0 H GLU A 15 -8.773 -5.393 12.003 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.953 -5.084 9.063 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.031 -2.949 9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.983 -4.166 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.010 -3.138 12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.819 -1.779 11.272 1.00 0.00 H new ATOM 174 N VAL A 16 -6.972 -3.600 9.002 1.00 0.00 N ATOM 175 CA VAL A 16 -5.686 -2.925 8.952 1.00 0.00 C ATOM 176 C VAL A 16 -5.755 -1.644 9.787 1.00 0.00 C ATOM 177 O VAL A 16 -6.634 -0.810 9.580 1.00 0.00 O ATOM 178 CB VAL A 16 -5.285 -2.669 7.498 1.00 0.00 C ATOM 179 CG1 VAL A 16 -4.196 -1.598 7.410 1.00 0.00 C ATOM 180 CG2 VAL A 16 -4.837 -3.964 6.817 1.00 0.00 C ATOM 0 H VAL A 16 -7.389 -3.792 8.091 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.908 -3.554 9.384 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.163 -2.298 6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.929 -1.435 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.566 -0.667 7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.316 -1.928 7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.557 -3.754 5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.980 -4.377 7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.655 -4.685 6.832 1.00 0.00 H new ATOM 190 N GLU A 17 -4.816 -1.529 10.715 1.00 0.00 N ATOM 191 CA GLU A 17 -4.758 -0.366 11.583 1.00 0.00 C ATOM 192 C GLU A 17 -3.976 0.762 10.907 1.00 0.00 C ATOM 193 O GLU A 17 -4.432 1.904 10.869 1.00 0.00 O ATOM 194 CB GLU A 17 -4.147 -0.722 12.939 1.00 0.00 C ATOM 195 CG GLU A 17 -3.541 0.513 13.608 1.00 0.00 C ATOM 196 CD GLU A 17 -3.080 0.194 15.032 1.00 0.00 C ATOM 197 OE1 GLU A 17 -2.655 -0.961 15.246 1.00 0.00 O ATOM 198 OE2 GLU A 17 -3.163 1.114 15.875 1.00 0.00 O ATOM 0 H GLU A 17 -4.088 -2.224 10.884 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.776 -0.020 11.762 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.912 -1.151 13.585 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.378 -1.483 12.807 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.696 0.872 13.020 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.277 1.316 13.632 1.00 0.00 H new ATOM 203 N ARG A 18 -2.810 0.402 10.391 1.00 0.00 N ATOM 204 CA ARG A 18 -1.958 1.369 9.719 1.00 0.00 C ATOM 205 C ARG A 18 -0.653 0.708 9.271 1.00 0.00 C ATOM 206 O ARG A 18 -0.315 -0.381 9.734 1.00 0.00 O ATOM 207 CB ARG A 18 -1.636 2.551 10.636 1.00 0.00 C ATOM 208 CG ARG A 18 -0.403 2.259 11.493 1.00 0.00 C ATOM 209 CD ARG A 18 -0.119 3.412 12.457 1.00 0.00 C ATOM 210 NE ARG A 18 0.160 4.650 11.698 1.00 0.00 N ATOM 211 CZ ARG A 18 1.367 4.984 11.220 1.00 0.00 C ATOM 212 NH1 ARG A 18 2.415 4.172 11.423 1.00 0.00 N ATOM 213 NH2 ARG A 18 1.527 6.127 10.541 1.00 0.00 N ATOM 0 H ARG A 18 -2.435 -0.546 10.425 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.499 1.737 8.847 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.463 3.445 10.036 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.490 2.760 11.280 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.557 1.339 12.057 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.462 2.097 10.849 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.974 3.565 13.116 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.732 3.165 13.091 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.615 5.291 11.527 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.293 3.302 11.941 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.334 4.425 11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.730 6.745 10.387 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.446 6.380 10.178 1.00 0.00 H new ATOM 224 N ILE A 19 0.044 1.394 8.378 1.00 0.00 N ATOM 225 CA ILE A 19 1.305 0.887 7.864 1.00 0.00 C ATOM 226 C ILE A 19 2.456 1.453 8.698 1.00 0.00 C ATOM 227 O ILE A 19 2.553 2.665 8.885 1.00 0.00 O ATOM 228 CB ILE A 19 1.429 1.177 6.366 1.00 0.00 C ATOM 229 CG1 ILE A 19 0.104 0.917 5.646 1.00 0.00 C ATOM 230 CG2 ILE A 19 2.582 0.385 5.748 1.00 0.00 C ATOM 231 CD1 ILE A 19 -0.117 -0.581 5.429 1.00 0.00 C ATOM 0 H ILE A 19 -0.240 2.297 7.997 1.00 0.00 H new ATOM 0 HA ILE A 19 1.346 -0.198 7.959 1.00 0.00 H new ATOM 0 HB ILE A 19 1.662 2.235 6.241 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.719 1.329 6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.101 1.432 4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.648 0.609 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.516 0.662 6.236 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.404 -0.682 5.884 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.066 -0.738 4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.695 -0.985 4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.138 -1.089 6.393 1.00 0.00 H new ATOM 242 N VAL A 20 3.298 0.550 9.175 1.00 0.00 N ATOM 243 CA VAL A 20 4.439 0.944 9.985 1.00 0.00 C ATOM 244 C VAL A 20 5.715 0.842 9.146 1.00 0.00 C ATOM 245 O VAL A 20 6.753 1.386 9.518 1.00 0.00 O ATOM 246 CB VAL A 20 4.493 0.101 11.260 1.00 0.00 C ATOM 247 CG1 VAL A 20 4.425 0.987 12.506 1.00 0.00 C ATOM 248 CG2 VAL A 20 3.380 -0.947 11.271 1.00 0.00 C ATOM 0 H VAL A 20 3.214 -0.454 9.017 1.00 0.00 H new ATOM 0 HA VAL A 20 4.341 1.982 10.302 1.00 0.00 H new ATOM 0 HB VAL A 20 5.448 -0.425 11.275 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.465 0.363 13.399 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.268 1.678 12.508 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.493 1.552 12.500 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.441 -1.533 12.188 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.411 -0.450 11.222 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.493 -1.607 10.411 1.00 0.00 H new ATOM 258 N ASP A 21 5.594 0.139 8.029 1.00 0.00 N ATOM 259 CA ASP A 21 6.725 -0.043 7.134 1.00 0.00 C ATOM 260 C ASP A 21 6.254 -0.749 5.861 1.00 0.00 C ATOM 261 O ASP A 21 5.076 -1.076 5.728 1.00 0.00 O ATOM 262 CB ASP A 21 7.807 -0.909 7.783 1.00 0.00 C ATOM 263 CG ASP A 21 9.210 -0.734 7.200 1.00 0.00 C ATOM 264 OD1 ASP A 21 9.301 -0.131 6.108 1.00 0.00 O ATOM 265 OD2 ASP A 21 10.161 -1.207 7.859 1.00 0.00 O ATOM 0 H ASP A 21 4.731 -0.311 7.723 1.00 0.00 H new ATOM 0 HA ASP A 21 7.138 0.940 6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.842 -0.683 8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.519 -1.956 7.689 1.00 0.00 H new ATOM 269 N LYS A 22 7.199 -0.964 4.957 1.00 0.00 N ATOM 270 CA LYS A 22 6.894 -1.625 3.700 1.00 0.00 C ATOM 271 C LYS A 22 8.198 -1.907 2.949 1.00 0.00 C ATOM 272 O LYS A 22 9.043 -1.024 2.811 1.00 0.00 O ATOM 273 CB LYS A 22 5.886 -0.804 2.893 1.00 0.00 C ATOM 274 CG LYS A 22 5.795 -1.311 1.452 1.00 0.00 C ATOM 275 CD LYS A 22 6.055 -0.180 0.456 1.00 0.00 C ATOM 276 CE LYS A 22 6.923 -0.664 -0.709 1.00 0.00 C ATOM 277 NZ LYS A 22 7.276 0.467 -1.596 1.00 0.00 N ATOM 0 H LYS A 22 8.176 -0.692 5.070 1.00 0.00 H new ATOM 0 HA LYS A 22 6.414 -2.587 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.905 -0.860 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.181 0.245 2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.520 -2.110 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.808 -1.737 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.107 0.199 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.549 0.649 0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.831 -1.130 -0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.389 -1.426 -1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.865 0.122 -2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.407 0.894 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.804 1.181 -1.055 1.00 0.00 H new ATOM 287 N ARG A 23 8.320 -3.141 2.484 1.00 0.00 N ATOM 288 CA ARG A 23 9.506 -3.551 1.751 1.00 0.00 C ATOM 289 C ARG A 23 9.157 -4.656 0.753 1.00 0.00 C ATOM 290 O ARG A 23 8.004 -5.075 0.662 1.00 0.00 O ATOM 291 CB ARG A 23 10.593 -4.055 2.701 1.00 0.00 C ATOM 292 CG ARG A 23 10.146 -5.329 3.420 1.00 0.00 C ATOM 293 CD ARG A 23 11.350 -6.174 3.839 1.00 0.00 C ATOM 294 NE ARG A 23 11.867 -5.706 5.145 1.00 0.00 N ATOM 295 CZ ARG A 23 11.387 -6.108 6.330 1.00 0.00 C ATOM 296 NH1 ARG A 23 10.378 -6.987 6.381 1.00 0.00 N ATOM 297 NH2 ARG A 23 11.919 -5.630 7.464 1.00 0.00 N ATOM 0 H ARG A 23 7.617 -3.871 2.600 1.00 0.00 H new ATOM 0 HA ARG A 23 9.883 -2.680 1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.508 -4.251 2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.827 -3.283 3.434 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.558 -5.067 4.299 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.498 -5.912 2.765 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.062 -7.223 3.907 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.133 -6.107 3.083 1.00 0.00 H new ATOM 0 HE ARG A 23 12.636 -5.036 5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.974 -7.351 5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.013 -7.293 7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.688 -4.961 7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.555 -5.935 8.367 1.00 0.00 H new ATOM 308 N LYS A 24 10.175 -5.099 0.029 1.00 0.00 N ATOM 309 CA LYS A 24 9.990 -6.149 -0.960 1.00 0.00 C ATOM 310 C LYS A 24 10.644 -7.437 -0.456 1.00 0.00 C ATOM 311 O LYS A 24 11.607 -7.392 0.307 1.00 0.00 O ATOM 312 CB LYS A 24 10.503 -5.693 -2.327 1.00 0.00 C ATOM 313 CG LYS A 24 10.322 -6.793 -3.375 1.00 0.00 C ATOM 314 CD LYS A 24 10.031 -6.194 -4.753 1.00 0.00 C ATOM 315 CE LYS A 24 11.000 -5.054 -5.071 1.00 0.00 C ATOM 316 NZ LYS A 24 10.604 -4.372 -6.324 1.00 0.00 N ATOM 0 H LYS A 24 11.130 -4.750 0.107 1.00 0.00 H new ATOM 0 HA LYS A 24 8.930 -6.361 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.968 -4.796 -2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.557 -5.426 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.222 -7.406 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.504 -7.450 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.113 -6.969 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.006 -5.824 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.012 -4.339 -4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.013 -5.446 -5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.272 -3.601 -6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.615 -5.054 -7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.646 -3.981 -6.219 1.00 0.00 H new ATOM 326 N ASN A 25 10.093 -8.556 -0.904 1.00 0.00 N ATOM 327 CA ASN A 25 10.610 -9.855 -0.509 1.00 0.00 C ATOM 328 C ASN A 25 11.685 -10.296 -1.504 1.00 0.00 C ATOM 329 O ASN A 25 11.987 -9.577 -2.456 1.00 0.00 O ATOM 330 CB ASN A 25 9.504 -10.911 -0.510 1.00 0.00 C ATOM 331 CG ASN A 25 8.498 -10.654 0.614 1.00 0.00 C ATOM 332 OD1 ASN A 25 8.607 -11.178 1.711 1.00 0.00 O ATOM 333 ND2 ASN A 25 7.516 -9.822 0.281 1.00 0.00 N ATOM 0 H ASN A 25 9.294 -8.590 -1.537 1.00 0.00 H new ATOM 0 HA ASN A 25 11.020 -9.763 0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.990 -10.903 -1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.942 -11.902 -0.391 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.794 -9.587 0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.485 -9.419 -0.655 1.00 0.00 H new ATOM 339 N LYS A 26 12.234 -11.474 -1.250 1.00 0.00 N ATOM 340 CA LYS A 26 13.270 -12.018 -2.111 1.00 0.00 C ATOM 341 C LYS A 26 12.694 -12.250 -3.510 1.00 0.00 C ATOM 342 O LYS A 26 13.328 -11.918 -4.510 1.00 0.00 O ATOM 343 CB LYS A 26 13.885 -13.272 -1.485 1.00 0.00 C ATOM 344 CG LYS A 26 15.321 -13.480 -1.971 1.00 0.00 C ATOM 345 CD LYS A 26 15.346 -14.249 -3.293 1.00 0.00 C ATOM 346 CE LYS A 26 15.024 -15.728 -3.074 1.00 0.00 C ATOM 347 NZ LYS A 26 15.978 -16.582 -3.814 1.00 0.00 N ATOM 0 H LYS A 26 11.981 -12.067 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 26 14.090 -11.307 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.874 -13.183 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.281 -14.143 -1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.809 -12.514 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.888 -14.026 -1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.624 -13.815 -3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.328 -14.152 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.067 -15.962 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.007 -15.938 -3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.744 -17.583 -3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.917 -16.371 -4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.944 -16.394 -3.479 1.00 0.00 H new ATOM 357 N LYS A 27 11.499 -12.822 -3.535 1.00 0.00 N ATOM 358 CA LYS A 27 10.830 -13.102 -4.794 1.00 0.00 C ATOM 359 C LYS A 27 10.508 -11.784 -5.501 1.00 0.00 C ATOM 360 O LYS A 27 10.450 -11.731 -6.728 1.00 0.00 O ATOM 361 CB LYS A 27 9.606 -13.992 -4.564 1.00 0.00 C ATOM 362 CG LYS A 27 9.950 -15.465 -4.788 1.00 0.00 C ATOM 363 CD LYS A 27 9.178 -16.034 -5.981 1.00 0.00 C ATOM 364 CE LYS A 27 10.110 -16.796 -6.925 1.00 0.00 C ATOM 365 NZ LYS A 27 9.985 -18.255 -6.711 1.00 0.00 N ATOM 0 H LYS A 27 10.977 -13.099 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 27 11.486 -13.667 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.236 -13.852 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.804 -13.695 -5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.021 -15.570 -4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.714 -16.038 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.391 -16.700 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.690 -15.224 -6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.868 -16.552 -7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.141 -16.485 -6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.624 -18.757 -7.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.238 -18.485 -5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.005 -18.550 -6.894 1.00 0.00 H new ATOM 375 N GLY A 28 10.305 -10.752 -4.695 1.00 0.00 N ATOM 376 CA GLY A 28 9.990 -9.437 -5.227 1.00 0.00 C ATOM 377 C GLY A 28 8.551 -9.040 -4.893 1.00 0.00 C ATOM 378 O GLY A 28 7.953 -8.218 -5.585 1.00 0.00 O ATOM 0 H GLY A 28 10.353 -10.800 -3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.679 -8.700 -4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.130 -9.435 -6.308 1.00 0.00 H new ATOM 382 N LYS A 29 8.037 -9.643 -3.830 1.00 0.00 N ATOM 383 CA LYS A 29 6.680 -9.362 -3.394 1.00 0.00 C ATOM 384 C LYS A 29 6.691 -8.165 -2.442 1.00 0.00 C ATOM 385 O LYS A 29 7.569 -8.055 -1.588 1.00 0.00 O ATOM 386 CB LYS A 29 6.038 -10.616 -2.799 1.00 0.00 C ATOM 387 CG LYS A 29 5.967 -11.741 -3.834 1.00 0.00 C ATOM 388 CD LYS A 29 4.624 -11.727 -4.566 1.00 0.00 C ATOM 389 CE LYS A 29 3.701 -12.828 -4.041 1.00 0.00 C ATOM 390 NZ LYS A 29 3.178 -13.645 -5.159 1.00 0.00 N ATOM 0 H LYS A 29 8.536 -10.325 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 29 6.057 -9.086 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.613 -10.948 -1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.035 -10.381 -2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.779 -11.630 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.107 -12.703 -3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.146 -10.756 -4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.787 -11.864 -5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.245 -13.464 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.873 -12.384 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.553 -14.387 -4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.642 -13.038 -5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.971 -14.085 -5.668 1.00 0.00 H new ATOM 400 N THR A 30 5.705 -7.299 -2.620 1.00 0.00 N ATOM 401 CA THR A 30 5.590 -6.113 -1.786 1.00 0.00 C ATOM 402 C THR A 30 4.863 -6.447 -0.483 1.00 0.00 C ATOM 403 O THR A 30 3.738 -6.945 -0.505 1.00 0.00 O ATOM 404 CB THR A 30 4.898 -5.024 -2.607 1.00 0.00 C ATOM 405 OG1 THR A 30 5.884 -4.623 -3.555 1.00 0.00 O ATOM 406 CG2 THR A 30 4.631 -3.757 -1.791 1.00 0.00 C ATOM 0 H THR A 30 4.978 -7.394 -3.329 1.00 0.00 H new ATOM 0 HA THR A 30 6.570 -5.741 -1.488 1.00 0.00 H new ATOM 0 HB THR A 30 3.957 -5.409 -3.000 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.518 -3.919 -4.130 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.139 -3.016 -2.421 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.989 -3.998 -0.944 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.576 -3.353 -1.426 1.00 0.00 H new ATOM 414 N GLU A 31 5.533 -6.158 0.623 1.00 0.00 N ATOM 415 CA GLU A 31 4.965 -6.421 1.933 1.00 0.00 C ATOM 416 C GLU A 31 4.936 -5.138 2.766 1.00 0.00 C ATOM 417 O GLU A 31 5.949 -4.451 2.890 1.00 0.00 O ATOM 418 CB GLU A 31 5.739 -7.526 2.656 1.00 0.00 C ATOM 419 CG GLU A 31 7.223 -7.173 2.766 1.00 0.00 C ATOM 420 CD GLU A 31 8.003 -8.291 3.462 1.00 0.00 C ATOM 421 OE1 GLU A 31 7.600 -8.645 4.591 1.00 0.00 O ATOM 422 OE2 GLU A 31 8.983 -8.767 2.848 1.00 0.00 O ATOM 0 H GLU A 31 6.465 -5.744 0.638 1.00 0.00 H new ATOM 0 HA GLU A 31 3.941 -6.768 1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.322 -7.675 3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.624 -8.467 2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.635 -7.003 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.339 -6.243 3.323 1.00 0.00 H new ATOM 427 N TYR A 32 3.765 -4.854 3.316 1.00 0.00 N ATOM 428 CA TYR A 32 3.590 -3.665 4.133 1.00 0.00 C ATOM 429 C TYR A 32 3.403 -4.035 5.606 1.00 0.00 C ATOM 430 O TYR A 32 2.591 -4.899 5.934 1.00 0.00 O ATOM 431 CB TYR A 32 2.317 -2.985 3.624 1.00 0.00 C ATOM 432 CG TYR A 32 2.484 -2.276 2.279 1.00 0.00 C ATOM 433 CD1 TYR A 32 2.286 -2.970 1.103 1.00 0.00 C ATOM 434 CD2 TYR A 32 2.836 -0.943 2.242 1.00 0.00 C ATOM 435 CE1 TYR A 32 2.443 -2.303 -0.163 1.00 0.00 C ATOM 436 CE2 TYR A 32 2.995 -0.274 0.976 1.00 0.00 C ATOM 437 CZ TYR A 32 2.791 -0.987 -0.164 1.00 0.00 C ATOM 438 OH TYR A 32 2.940 -0.357 -1.359 1.00 0.00 O ATOM 0 H TYR A 32 2.928 -5.427 3.212 1.00 0.00 H new ATOM 0 HA TYR A 32 4.465 -3.019 4.062 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.530 -3.733 3.533 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.983 -2.260 4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.013 -4.015 1.132 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.993 -0.400 3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.288 -2.834 -1.090 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.270 0.770 0.933 1.00 0.00 H new ATOM 0 HH TYR A 32 3.188 0.579 -1.207 1.00 0.00 H new ATOM 447 N LEU A 33 4.167 -3.363 6.454 1.00 0.00 N ATOM 448 CA LEU A 33 4.096 -3.610 7.884 1.00 0.00 C ATOM 449 C LEU A 33 2.821 -2.974 8.444 1.00 0.00 C ATOM 450 O LEU A 33 2.727 -1.752 8.548 1.00 0.00 O ATOM 451 CB LEU A 33 5.375 -3.134 8.574 1.00 0.00 C ATOM 452 CG LEU A 33 5.568 -3.596 10.021 1.00 0.00 C ATOM 453 CD1 LEU A 33 5.833 -5.101 10.085 1.00 0.00 C ATOM 454 CD2 LEU A 33 6.670 -2.790 10.710 1.00 0.00 C ATOM 0 H LEU A 33 4.839 -2.647 6.178 1.00 0.00 H new ATOM 0 HA LEU A 33 4.033 -4.680 8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.229 -3.474 7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.390 -2.044 8.556 1.00 0.00 H new ATOM 0 HG LEU A 33 4.643 -3.409 10.566 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.966 -5.403 11.124 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.987 -5.638 9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.735 -5.336 9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.787 -3.138 11.736 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.609 -2.923 10.172 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.400 -1.734 10.713 1.00 0.00 H new ATOM 465 N VAL A 34 1.872 -3.833 8.789 1.00 0.00 N ATOM 466 CA VAL A 34 0.608 -3.370 9.336 1.00 0.00 C ATOM 467 C VAL A 34 0.373 -4.030 10.696 1.00 0.00 C ATOM 468 O VAL A 34 0.663 -5.213 10.874 1.00 0.00 O ATOM 469 CB VAL A 34 -0.522 -3.636 8.339 1.00 0.00 C ATOM 470 CG1 VAL A 34 -0.216 -4.863 7.478 1.00 0.00 C ATOM 471 CG2 VAL A 34 -1.863 -3.791 9.059 1.00 0.00 C ATOM 0 H VAL A 34 1.953 -4.846 8.700 1.00 0.00 H new ATOM 0 HA VAL A 34 0.634 -2.292 9.498 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.595 -2.773 7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.035 -5.030 6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.707 -4.697 6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.102 -5.738 8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.649 -3.979 8.328 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.807 -4.628 9.755 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.089 -2.877 9.608 1.00 0.00 H new ATOM 481 N ARG A 35 -0.149 -3.238 11.620 1.00 0.00 N ATOM 482 CA ARG A 35 -0.426 -3.731 12.959 1.00 0.00 C ATOM 483 C ARG A 35 -1.806 -4.392 13.006 1.00 0.00 C ATOM 484 O ARG A 35 -2.552 -4.348 12.030 1.00 0.00 O ATOM 485 CB ARG A 35 -0.375 -2.597 13.985 1.00 0.00 C ATOM 486 CG ARG A 35 1.065 -2.141 14.226 1.00 0.00 C ATOM 487 CD ARG A 35 1.516 -2.477 15.649 1.00 0.00 C ATOM 488 NE ARG A 35 0.920 -1.520 16.608 1.00 0.00 N ATOM 489 CZ ARG A 35 0.736 -1.778 17.910 1.00 0.00 C ATOM 490 NH1 ARG A 35 1.101 -2.963 18.417 1.00 0.00 N ATOM 491 NH2 ARG A 35 0.188 -0.849 18.706 1.00 0.00 N ATOM 0 H ARG A 35 -0.388 -2.258 11.468 1.00 0.00 H new ATOM 0 HA ARG A 35 0.341 -4.465 13.208 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.973 -1.756 13.633 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.817 -2.931 14.924 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.728 -2.623 13.507 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.142 -1.066 14.060 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.217 -3.494 15.904 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.603 -2.439 15.713 1.00 0.00 H new ATOM 0 HE ARG A 35 0.631 -0.607 16.256 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.519 -3.670 17.812 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.961 -3.159 19.408 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.089 0.054 18.321 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.048 -1.045 19.697 1.00 0.00 H new ATOM 502 N TRP A 36 -2.103 -4.987 14.152 1.00 0.00 N ATOM 503 CA TRP A 36 -3.378 -5.655 14.340 1.00 0.00 C ATOM 504 C TRP A 36 -3.613 -5.812 15.844 1.00 0.00 C ATOM 505 O TRP A 36 -2.672 -5.748 16.633 1.00 0.00 O ATOM 506 CB TRP A 36 -3.417 -6.985 13.586 1.00 0.00 C ATOM 507 CG TRP A 36 -2.659 -6.970 12.257 1.00 0.00 C ATOM 508 CD1 TRP A 36 -1.342 -7.113 12.058 1.00 0.00 C ATOM 509 CD2 TRP A 36 -3.231 -6.796 10.944 1.00 0.00 C ATOM 510 NE1 TRP A 36 -1.023 -7.043 10.716 1.00 0.00 N ATOM 511 CE2 TRP A 36 -2.208 -6.845 10.018 1.00 0.00 C ATOM 512 CE3 TRP A 36 -4.567 -6.604 10.550 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -2.416 -6.710 8.640 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -4.757 -6.471 9.170 1.00 0.00 C ATOM 515 CH2 TRP A 36 -3.739 -6.517 8.225 1.00 0.00 C ATOM 0 H TRP A 36 -1.481 -5.020 14.960 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.190 -5.060 13.922 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.998 -7.764 14.223 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.456 -7.253 13.397 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.621 -7.264 12.847 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.090 -7.122 10.312 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.382 -6.562 11.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.599 -6.753 7.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.766 -6.322 8.814 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.967 -6.404 7.175 1.00 0.00 H new ATOM 525 N LYS A 37 -4.875 -6.015 16.195 1.00 0.00 N ATOM 526 CA LYS A 37 -5.245 -6.182 17.590 1.00 0.00 C ATOM 527 C LYS A 37 -4.671 -7.501 18.111 1.00 0.00 C ATOM 528 O LYS A 37 -4.565 -8.474 17.366 1.00 0.00 O ATOM 529 CB LYS A 37 -6.761 -6.060 17.760 1.00 0.00 C ATOM 530 CG LYS A 37 -7.393 -7.428 18.026 1.00 0.00 C ATOM 531 CD LYS A 37 -8.917 -7.362 17.893 1.00 0.00 C ATOM 532 CE LYS A 37 -9.560 -8.687 18.307 1.00 0.00 C ATOM 533 NZ LYS A 37 -11.021 -8.521 18.480 1.00 0.00 N ATOM 0 H LYS A 37 -5.653 -6.067 15.538 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.814 -5.385 18.197 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.985 -5.385 18.586 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.197 -5.622 16.862 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.994 -8.160 17.324 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.126 -7.768 19.027 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.305 -6.555 18.514 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.186 -7.129 16.863 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.361 -9.447 17.551 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.115 -9.039 19.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.443 -9.429 18.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.205 -7.811 19.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.443 -8.206 17.583 1.00 0.00 H new ATOM 543 N GLY A 38 -4.315 -7.491 19.387 1.00 0.00 N ATOM 544 CA GLY A 38 -3.755 -8.676 20.017 1.00 0.00 C ATOM 545 C GLY A 38 -2.238 -8.731 19.828 1.00 0.00 C ATOM 546 O GLY A 38 -1.504 -9.049 20.762 1.00 0.00 O ATOM 0 H GLY A 38 -4.403 -6.682 20.002 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.993 -8.674 21.081 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.211 -9.569 19.590 1.00 0.00 H new ATOM 550 N TYR A 39 -1.813 -8.417 18.613 1.00 0.00 N ATOM 551 CA TYR A 39 -0.397 -8.427 18.289 1.00 0.00 C ATOM 552 C TYR A 39 0.273 -7.121 18.720 1.00 0.00 C ATOM 553 O TYR A 39 -0.069 -6.050 18.222 1.00 0.00 O ATOM 554 CB TYR A 39 -0.313 -8.551 16.767 1.00 0.00 C ATOM 555 CG TYR A 39 -0.530 -9.973 16.245 1.00 0.00 C ATOM 556 CD1 TYR A 39 0.150 -11.029 16.818 1.00 0.00 C ATOM 557 CD2 TYR A 39 -1.405 -10.199 15.203 1.00 0.00 C ATOM 558 CE1 TYR A 39 -0.054 -12.368 16.326 1.00 0.00 C ATOM 559 CE2 TYR A 39 -1.609 -11.538 14.712 1.00 0.00 C ATOM 560 CZ TYR A 39 -0.923 -12.555 15.299 1.00 0.00 C ATOM 561 OH TYR A 39 -1.116 -13.819 14.835 1.00 0.00 O ATOM 0 H TYR A 39 -2.425 -8.154 17.841 1.00 0.00 H new ATOM 0 HA TYR A 39 0.108 -9.244 18.803 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.057 -7.893 16.318 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.665 -8.199 16.438 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.834 -10.852 17.634 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.937 -9.373 14.755 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.472 -13.204 16.764 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.291 -11.730 13.897 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.764 -13.802 14.100 1.00 0.00 H new ATOM 570 N ASP A 40 1.216 -7.253 19.642 1.00 0.00 N ATOM 571 CA ASP A 40 1.937 -6.096 20.146 1.00 0.00 C ATOM 572 C ASP A 40 2.619 -5.378 18.980 1.00 0.00 C ATOM 573 O ASP A 40 2.323 -5.654 17.818 1.00 0.00 O ATOM 574 CB ASP A 40 3.019 -6.514 21.143 1.00 0.00 C ATOM 575 CG ASP A 40 2.576 -7.539 22.187 1.00 0.00 C ATOM 576 OD1 ASP A 40 1.348 -7.752 22.288 1.00 0.00 O ATOM 577 OD2 ASP A 40 3.475 -8.089 22.860 1.00 0.00 O ATOM 0 H ASP A 40 1.497 -8.143 20.053 1.00 0.00 H new ATOM 0 HA ASP A 40 1.221 -5.442 20.644 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.863 -6.924 20.589 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.379 -5.624 21.660 1.00 0.00 H new ATOM 581 N SER A 41 3.520 -4.472 19.330 1.00 0.00 N ATOM 582 CA SER A 41 4.247 -3.712 18.326 1.00 0.00 C ATOM 583 C SER A 41 5.319 -4.591 17.680 1.00 0.00 C ATOM 584 O SER A 41 5.571 -4.487 16.481 1.00 0.00 O ATOM 585 CB SER A 41 4.882 -2.462 18.936 1.00 0.00 C ATOM 586 OG SER A 41 5.356 -1.562 17.937 1.00 0.00 O ATOM 0 H SER A 41 3.764 -4.247 20.295 1.00 0.00 H new ATOM 0 HA SER A 41 3.540 -3.391 17.561 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.151 -1.954 19.564 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.709 -2.754 19.583 1.00 0.00 H new ATOM 0 HG SER A 41 5.753 -0.776 18.367 1.00 0.00 H new ATOM 591 N GLU A 42 5.920 -5.437 18.504 1.00 0.00 N ATOM 592 CA GLU A 42 6.959 -6.334 18.027 1.00 0.00 C ATOM 593 C GLU A 42 6.340 -7.625 17.487 1.00 0.00 C ATOM 594 O GLU A 42 7.047 -8.488 16.969 1.00 0.00 O ATOM 595 CB GLU A 42 7.975 -6.634 19.131 1.00 0.00 C ATOM 596 CG GLU A 42 7.272 -7.057 20.423 1.00 0.00 C ATOM 597 CD GLU A 42 8.218 -7.847 21.328 1.00 0.00 C ATOM 598 OE1 GLU A 42 9.265 -7.272 21.694 1.00 0.00 O ATOM 599 OE2 GLU A 42 7.873 -9.009 21.635 1.00 0.00 O ATOM 0 H GLU A 42 5.707 -5.520 19.498 1.00 0.00 H new ATOM 0 HA GLU A 42 7.491 -5.841 17.213 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.650 -7.425 18.804 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.586 -5.751 19.318 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.911 -6.174 20.951 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.399 -7.665 20.184 1.00 0.00 H new ATOM 604 N ASP A 43 5.025 -7.717 17.627 1.00 0.00 N ATOM 605 CA ASP A 43 4.303 -8.888 17.161 1.00 0.00 C ATOM 606 C ASP A 43 3.778 -8.628 15.747 1.00 0.00 C ATOM 607 O ASP A 43 3.375 -9.557 15.050 1.00 0.00 O ATOM 608 CB ASP A 43 3.105 -9.191 18.062 1.00 0.00 C ATOM 609 CG ASP A 43 3.046 -10.623 18.599 1.00 0.00 C ATOM 610 OD1 ASP A 43 2.941 -11.540 17.757 1.00 0.00 O ATOM 611 OD2 ASP A 43 3.107 -10.766 19.839 1.00 0.00 O ATOM 0 H ASP A 43 4.441 -6.999 18.057 1.00 0.00 H new ATOM 0 HA ASP A 43 4.988 -9.735 17.176 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.121 -8.502 18.907 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.190 -8.990 17.505 1.00 0.00 H new ATOM 615 N ASP A 44 3.801 -7.360 15.366 1.00 0.00 N ATOM 616 CA ASP A 44 3.332 -6.965 14.048 1.00 0.00 C ATOM 617 C ASP A 44 3.803 -7.992 13.016 1.00 0.00 C ATOM 618 O ASP A 44 4.757 -8.730 13.259 1.00 0.00 O ATOM 619 CB ASP A 44 3.896 -5.601 13.649 1.00 0.00 C ATOM 620 CG ASP A 44 3.663 -4.482 14.666 1.00 0.00 C ATOM 621 OD1 ASP A 44 3.006 -4.772 15.688 1.00 0.00 O ATOM 622 OD2 ASP A 44 4.149 -3.361 14.398 1.00 0.00 O ATOM 0 H ASP A 44 4.137 -6.592 15.947 1.00 0.00 H new ATOM 0 HA ASP A 44 2.244 -6.910 14.079 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.968 -5.703 13.483 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.453 -5.305 12.698 1.00 0.00 H new ATOM 626 N THR A 45 3.113 -8.006 11.885 1.00 0.00 N ATOM 627 CA THR A 45 3.448 -8.930 10.815 1.00 0.00 C ATOM 628 C THR A 45 3.571 -8.184 9.485 1.00 0.00 C ATOM 629 O THR A 45 3.281 -6.991 9.409 1.00 0.00 O ATOM 630 CB THR A 45 2.391 -10.036 10.796 1.00 0.00 C ATOM 631 OG1 THR A 45 2.569 -10.665 9.530 1.00 0.00 O ATOM 632 CG2 THR A 45 0.966 -9.483 10.740 1.00 0.00 C ATOM 0 H THR A 45 2.323 -7.392 11.686 1.00 0.00 H new ATOM 0 HA THR A 45 4.420 -9.393 10.983 1.00 0.00 H new ATOM 0 HB THR A 45 2.504 -10.660 11.682 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.924 -11.397 9.435 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.255 -10.309 10.728 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.783 -8.859 11.615 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.843 -8.886 9.837 1.00 0.00 H new ATOM 640 N TRP A 46 4.001 -8.918 8.469 1.00 0.00 N ATOM 641 CA TRP A 46 4.166 -8.340 7.145 1.00 0.00 C ATOM 642 C TRP A 46 3.113 -8.961 6.226 1.00 0.00 C ATOM 643 O TRP A 46 3.048 -10.181 6.085 1.00 0.00 O ATOM 644 CB TRP A 46 5.595 -8.535 6.637 1.00 0.00 C ATOM 645 CG TRP A 46 6.649 -7.761 7.431 1.00 0.00 C ATOM 646 CD1 TRP A 46 7.255 -8.124 8.570 1.00 0.00 C ATOM 647 CD2 TRP A 46 7.201 -6.470 7.098 1.00 0.00 C ATOM 648 NE1 TRP A 46 8.153 -7.166 8.994 1.00 0.00 N ATOM 649 CE2 TRP A 46 8.119 -6.128 8.069 1.00 0.00 C ATOM 650 CE3 TRP A 46 6.932 -5.619 6.011 1.00 0.00 C ATOM 651 CZ2 TRP A 46 8.843 -4.929 8.052 1.00 0.00 C ATOM 652 CZ3 TRP A 46 7.664 -4.425 6.009 1.00 0.00 C ATOM 653 CH2 TRP A 46 8.592 -4.066 6.979 1.00 0.00 C ATOM 0 H TRP A 46 4.240 -9.907 8.535 1.00 0.00 H new ATOM 0 HA TRP A 46 4.012 -7.261 7.171 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.839 -9.597 6.668 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.643 -8.227 5.592 1.00 0.00 H new ATOM 0 HD1 TRP A 46 7.064 -9.051 9.091 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.734 -7.211 9.831 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.218 -5.867 5.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 9.556 -4.684 8.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.495 -3.734 5.196 1.00 0.00 H new ATOM 0 HH2 TRP A 46 9.117 -3.125 6.905 1.00 0.00 H new ATOM 663 N GLU A 47 2.315 -8.093 5.621 1.00 0.00 N ATOM 664 CA GLU A 47 1.270 -8.541 4.717 1.00 0.00 C ATOM 665 C GLU A 47 1.504 -7.979 3.314 1.00 0.00 C ATOM 666 O GLU A 47 1.882 -6.819 3.161 1.00 0.00 O ATOM 667 CB GLU A 47 -0.113 -8.147 5.242 1.00 0.00 C ATOM 668 CG GLU A 47 -0.496 -8.987 6.462 1.00 0.00 C ATOM 669 CD GLU A 47 -0.925 -10.396 6.046 1.00 0.00 C ATOM 670 OE1 GLU A 47 -0.492 -10.821 4.953 1.00 0.00 O ATOM 671 OE2 GLU A 47 -1.676 -11.015 6.829 1.00 0.00 O ATOM 0 H GLU A 47 2.372 -7.081 5.740 1.00 0.00 H new ATOM 0 HA GLU A 47 1.306 -9.629 4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.117 -7.090 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.856 -8.281 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.350 -9.048 7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.308 -8.501 7.002 1.00 0.00 H new ATOM 676 N PRO A 48 1.264 -8.850 2.298 1.00 0.00 N ATOM 677 CA PRO A 48 1.445 -8.453 0.912 1.00 0.00 C ATOM 678 C PRO A 48 0.303 -7.544 0.449 1.00 0.00 C ATOM 679 O PRO A 48 -0.865 -7.826 0.711 1.00 0.00 O ATOM 680 CB PRO A 48 1.518 -9.757 0.135 1.00 0.00 C ATOM 681 CG PRO A 48 0.914 -10.817 1.041 1.00 0.00 C ATOM 682 CD PRO A 48 0.815 -10.232 2.441 1.00 0.00 C ATOM 0 HA PRO A 48 2.348 -7.862 0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.967 -9.684 -0.802 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.549 -10.002 -0.120 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.071 -11.112 0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.533 -11.714 1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.206 -10.279 2.819 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.441 -10.781 3.145 1.00 0.00 H new ATOM 687 N GLU A 49 0.682 -6.473 -0.233 1.00 0.00 N ATOM 688 CA GLU A 49 -0.294 -5.522 -0.735 1.00 0.00 C ATOM 689 C GLU A 49 -1.528 -6.257 -1.264 1.00 0.00 C ATOM 690 O GLU A 49 -2.658 -5.884 -0.951 1.00 0.00 O ATOM 691 CB GLU A 49 0.317 -4.629 -1.816 1.00 0.00 C ATOM 692 CG GLU A 49 -0.333 -3.243 -1.815 1.00 0.00 C ATOM 693 CD GLU A 49 -1.136 -3.012 -3.096 1.00 0.00 C ATOM 694 OE1 GLU A 49 -0.504 -3.039 -4.174 1.00 0.00 O ATOM 695 OE2 GLU A 49 -2.364 -2.815 -2.968 1.00 0.00 O ATOM 0 H GLU A 49 1.652 -6.243 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.603 -4.879 0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.390 -4.532 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.188 -5.094 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.988 -3.145 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.437 -2.477 -1.721 1.00 0.00 H new ATOM 700 N GLN A 50 -1.270 -7.288 -2.055 1.00 0.00 N ATOM 701 CA GLN A 50 -2.345 -8.078 -2.630 1.00 0.00 C ATOM 702 C GLN A 50 -3.341 -8.489 -1.543 1.00 0.00 C ATOM 703 O GLN A 50 -4.551 -8.401 -1.741 1.00 0.00 O ATOM 704 CB GLN A 50 -1.794 -9.303 -3.362 1.00 0.00 C ATOM 705 CG GLN A 50 -2.893 -10.002 -4.166 1.00 0.00 C ATOM 706 CD GLN A 50 -2.466 -10.195 -5.623 1.00 0.00 C ATOM 707 OE1 GLN A 50 -2.116 -9.261 -6.323 1.00 0.00 O ATOM 708 NE2 GLN A 50 -2.515 -11.458 -6.037 1.00 0.00 N ATOM 0 H GLN A 50 -0.332 -7.595 -2.311 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.870 -7.465 -3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.987 -9.000 -4.029 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.367 -10.000 -2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.117 -10.970 -3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.809 -9.412 -4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.818 -12.193 -5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.250 -11.692 -6.994 1.00 0.00 H new ATOM 715 N HIS A 51 -2.793 -8.930 -0.420 1.00 0.00 N ATOM 716 CA HIS A 51 -3.617 -9.355 0.697 1.00 0.00 C ATOM 717 C HIS A 51 -4.222 -8.130 1.385 1.00 0.00 C ATOM 718 O HIS A 51 -5.239 -8.235 2.068 1.00 0.00 O ATOM 719 CB HIS A 51 -2.819 -10.240 1.657 1.00 0.00 C ATOM 720 CG HIS A 51 -2.437 -11.582 1.082 1.00 0.00 C ATOM 721 ND1 HIS A 51 -2.011 -12.640 1.865 1.00 0.00 N ATOM 722 CD2 HIS A 51 -2.421 -12.027 -0.208 1.00 0.00 C ATOM 723 CE1 HIS A 51 -1.752 -13.670 1.072 1.00 0.00 C ATOM 724 NE2 HIS A 51 -2.008 -13.289 -0.212 1.00 0.00 N ATOM 0 H HIS A 51 -1.788 -9.002 -0.261 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.441 -9.967 0.331 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.913 -9.712 1.953 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.406 -10.398 2.562 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.697 -11.450 -1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.400 -14.641 1.388 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -1.900 -13.876 -1.039 1.00 0.00 H new ATOM 731 N LEU A 52 -3.570 -6.994 1.181 1.00 0.00 N ATOM 732 CA LEU A 52 -4.030 -5.750 1.772 1.00 0.00 C ATOM 733 C LEU A 52 -4.969 -5.042 0.794 1.00 0.00 C ATOM 734 O LEU A 52 -4.645 -3.971 0.282 1.00 0.00 O ATOM 735 CB LEU A 52 -2.840 -4.894 2.212 1.00 0.00 C ATOM 736 CG LEU A 52 -1.974 -5.474 3.332 1.00 0.00 C ATOM 737 CD1 LEU A 52 -0.576 -4.852 3.322 1.00 0.00 C ATOM 738 CD2 LEU A 52 -2.660 -5.320 4.691 1.00 0.00 C ATOM 0 H LEU A 52 -2.726 -6.910 0.614 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.603 -5.947 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.205 -4.716 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.216 -3.924 2.536 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.853 -6.542 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.019 -5.282 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.094 -5.056 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.656 -3.774 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.023 -5.740 5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.832 -4.263 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.614 -5.847 4.679 1.00 0.00 H new ATOM 749 N VAL A 53 -6.114 -5.667 0.564 1.00 0.00 N ATOM 750 CA VAL A 53 -7.102 -5.111 -0.345 1.00 0.00 C ATOM 751 C VAL A 53 -7.880 -4.005 0.371 1.00 0.00 C ATOM 752 O VAL A 53 -8.158 -4.109 1.565 1.00 0.00 O ATOM 753 CB VAL A 53 -8.003 -6.224 -0.883 1.00 0.00 C ATOM 754 CG1 VAL A 53 -7.181 -7.451 -1.281 1.00 0.00 C ATOM 755 CG2 VAL A 53 -9.084 -6.593 0.134 1.00 0.00 C ATOM 0 H VAL A 53 -6.380 -6.554 0.992 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.615 -4.660 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.500 -5.850 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.846 -8.227 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.467 -7.175 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.644 -7.827 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.711 -7.386 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.614 -6.938 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.698 -5.718 0.346 1.00 0.00 H new ATOM 765 N ASN A 54 -8.210 -2.971 -0.389 1.00 0.00 N ATOM 766 CA ASN A 54 -8.950 -1.847 0.159 1.00 0.00 C ATOM 767 C ASN A 54 -8.110 -1.167 1.241 1.00 0.00 C ATOM 768 O ASN A 54 -8.633 -0.393 2.043 1.00 0.00 O ATOM 769 CB ASN A 54 -10.261 -2.309 0.797 1.00 0.00 C ATOM 770 CG ASN A 54 -11.439 -2.106 -0.159 1.00 0.00 C ATOM 771 OD1 ASN A 54 -11.957 -1.014 -0.323 1.00 0.00 O ATOM 772 ND2 ASN A 54 -11.831 -3.217 -0.777 1.00 0.00 N ATOM 0 H ASN A 54 -7.979 -2.888 -1.379 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.170 -1.158 -0.657 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.186 -3.362 1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.436 -1.754 1.719 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.610 -3.187 -1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.352 -4.099 -0.593 1.00 0.00 H new ATOM 778 N CYS A 55 -6.823 -1.480 1.231 1.00 0.00 N ATOM 779 CA CYS A 55 -5.905 -0.909 2.202 1.00 0.00 C ATOM 780 C CYS A 55 -5.139 0.231 1.528 1.00 0.00 C ATOM 781 O CYS A 55 -4.506 1.042 2.201 1.00 0.00 O ATOM 782 CB CYS A 55 -4.963 -1.966 2.780 1.00 0.00 C ATOM 783 SG CYS A 55 -3.556 -1.156 3.623 1.00 0.00 S ATOM 0 H CYS A 55 -6.394 -2.122 0.565 1.00 0.00 H new ATOM 0 HA CYS A 55 -6.467 -0.516 3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.503 -2.600 3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.597 -2.613 1.983 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.412 0.051 3.163 1.00 0.00 H new ATOM 788 N GLU A 56 -5.222 0.255 0.205 1.00 0.00 N ATOM 789 CA GLU A 56 -4.545 1.282 -0.568 1.00 0.00 C ATOM 790 C GLU A 56 -4.589 2.620 0.172 1.00 0.00 C ATOM 791 O GLU A 56 -3.587 3.331 0.237 1.00 0.00 O ATOM 792 CB GLU A 56 -5.154 1.407 -1.966 1.00 0.00 C ATOM 793 CG GLU A 56 -4.364 0.584 -2.984 1.00 0.00 C ATOM 794 CD GLU A 56 -4.869 0.839 -4.407 1.00 0.00 C ATOM 795 OE1 GLU A 56 -4.355 1.794 -5.029 1.00 0.00 O ATOM 796 OE2 GLU A 56 -5.758 0.075 -4.838 1.00 0.00 O ATOM 0 H GLU A 56 -5.748 -0.420 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.502 0.990 -0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.190 1.070 -1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.165 2.454 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.306 0.837 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.453 -0.476 -2.747 1.00 0.00 H new ATOM 801 N GLU A 57 -5.760 2.923 0.711 1.00 0.00 N ATOM 802 CA GLU A 57 -5.949 4.164 1.444 1.00 0.00 C ATOM 803 C GLU A 57 -4.811 4.366 2.447 1.00 0.00 C ATOM 804 O GLU A 57 -4.121 5.384 2.410 1.00 0.00 O ATOM 805 CB GLU A 57 -7.308 4.185 2.145 1.00 0.00 C ATOM 806 CG GLU A 57 -7.543 5.525 2.845 1.00 0.00 C ATOM 807 CD GLU A 57 -8.187 5.322 4.218 1.00 0.00 C ATOM 808 OE1 GLU A 57 -9.405 5.040 4.237 1.00 0.00 O ATOM 809 OE2 GLU A 57 -7.448 5.453 5.217 1.00 0.00 O ATOM 0 H GLU A 57 -6.588 2.331 0.655 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.932 4.990 0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.100 4.007 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.358 3.376 2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.595 6.051 2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.185 6.154 2.228 1.00 0.00 H new ATOM 814 N TYR A 58 -4.650 3.380 3.317 1.00 0.00 N ATOM 815 CA TYR A 58 -3.607 3.437 4.327 1.00 0.00 C ATOM 816 C TYR A 58 -2.221 3.507 3.682 1.00 0.00 C ATOM 817 O TYR A 58 -1.443 4.414 3.973 1.00 0.00 O ATOM 818 CB TYR A 58 -3.721 2.136 5.124 1.00 0.00 C ATOM 819 CG TYR A 58 -5.075 1.941 5.809 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.523 2.870 6.726 1.00 0.00 C ATOM 821 CD2 TYR A 58 -5.848 0.838 5.510 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.799 2.687 7.371 1.00 0.00 C ATOM 823 CE2 TYR A 58 -7.122 0.654 6.154 1.00 0.00 C ATOM 824 CZ TYR A 58 -7.534 1.588 7.053 1.00 0.00 C ATOM 825 OH TYR A 58 -8.739 1.415 7.661 1.00 0.00 O ATOM 0 H TYR A 58 -5.224 2.537 3.343 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.726 4.322 4.952 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.540 1.295 4.455 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.937 2.116 5.881 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.918 3.733 6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.497 0.112 4.792 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.163 3.406 8.090 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.736 -0.205 5.929 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.153 0.588 7.337 1.00 0.00 H new ATOM 834 N ILE A 59 -1.957 2.538 2.819 1.00 0.00 N ATOM 835 CA ILE A 59 -0.678 2.478 2.131 1.00 0.00 C ATOM 836 C ILE A 59 -0.378 3.841 1.504 1.00 0.00 C ATOM 837 O ILE A 59 0.678 4.422 1.750 1.00 0.00 O ATOM 838 CB ILE A 59 -0.663 1.323 1.128 1.00 0.00 C ATOM 839 CG1 ILE A 59 -0.859 -0.020 1.835 1.00 0.00 C ATOM 840 CG2 ILE A 59 0.613 1.345 0.284 1.00 0.00 C ATOM 841 CD1 ILE A 59 -1.638 -0.996 0.951 1.00 0.00 C ATOM 0 H ILE A 59 -2.606 1.788 2.580 1.00 0.00 H new ATOM 0 HA ILE A 59 0.125 2.267 2.837 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.503 1.454 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.111 -0.447 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.393 0.133 2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.598 0.513 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.670 2.285 -0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.482 1.253 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.764 -1.942 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.617 -0.576 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.089 -1.166 0.025 1.00 0.00 H new ATOM 852 N HIS A 60 -1.324 4.311 0.704 1.00 0.00 N ATOM 853 CA HIS A 60 -1.174 5.594 0.040 1.00 0.00 C ATOM 854 C HIS A 60 -0.620 6.622 1.029 1.00 0.00 C ATOM 855 O HIS A 60 0.475 7.146 0.836 1.00 0.00 O ATOM 856 CB HIS A 60 -2.494 6.035 -0.596 1.00 0.00 C ATOM 857 CG HIS A 60 -2.670 5.578 -2.024 1.00 0.00 C ATOM 858 ND1 HIS A 60 -2.365 6.379 -3.111 1.00 0.00 N ATOM 859 CD2 HIS A 60 -3.122 4.396 -2.533 1.00 0.00 C ATOM 860 CE1 HIS A 60 -2.625 5.700 -4.218 1.00 0.00 C ATOM 861 NE2 HIS A 60 -3.095 4.472 -3.858 1.00 0.00 N ATOM 0 H HIS A 60 -2.198 3.826 0.501 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.457 5.503 -0.776 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.320 5.651 0.002 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.556 7.123 -0.563 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.447 3.543 -1.956 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.489 6.056 -5.228 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.379 3.733 -4.501 1.00 0.00 H new ATOM 868 N ASP A 61 -1.403 6.879 2.067 1.00 0.00 N ATOM 869 CA ASP A 61 -1.004 7.835 3.086 1.00 0.00 C ATOM 870 C ASP A 61 0.399 7.487 3.585 1.00 0.00 C ATOM 871 O ASP A 61 1.285 8.340 3.602 1.00 0.00 O ATOM 872 CB ASP A 61 -1.955 7.792 4.283 1.00 0.00 C ATOM 873 CG ASP A 61 -2.106 9.115 5.037 1.00 0.00 C ATOM 874 OD1 ASP A 61 -1.489 10.102 4.582 1.00 0.00 O ATOM 875 OD2 ASP A 61 -2.836 9.110 6.051 1.00 0.00 O ATOM 0 H ASP A 61 -2.311 6.442 2.224 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.027 8.830 2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.938 7.475 3.935 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.603 7.032 4.980 1.00 0.00 H new ATOM 879 N PHE A 62 0.559 6.231 3.977 1.00 0.00 N ATOM 880 CA PHE A 62 1.840 5.759 4.474 1.00 0.00 C ATOM 881 C PHE A 62 2.961 6.069 3.480 1.00 0.00 C ATOM 882 O PHE A 62 4.060 6.454 3.879 1.00 0.00 O ATOM 883 CB PHE A 62 1.725 4.243 4.639 1.00 0.00 C ATOM 884 CG PHE A 62 3.071 3.517 4.676 1.00 0.00 C ATOM 885 CD1 PHE A 62 3.706 3.321 5.862 1.00 0.00 C ATOM 886 CD2 PHE A 62 3.634 3.068 3.521 1.00 0.00 C ATOM 887 CE1 PHE A 62 4.955 2.646 5.897 1.00 0.00 C ATOM 888 CE2 PHE A 62 4.883 2.394 3.556 1.00 0.00 C ATOM 889 CZ PHE A 62 5.517 2.197 4.742 1.00 0.00 C ATOM 0 H PHE A 62 -0.178 5.526 3.960 1.00 0.00 H new ATOM 0 HA PHE A 62 2.079 6.253 5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.183 4.028 5.560 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.130 3.843 3.818 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.260 3.679 6.778 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.131 3.224 2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.458 2.489 6.840 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.330 2.038 2.640 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.467 1.684 4.768 1.00 0.00 H new ATOM 898 N ASN A 63 2.647 5.889 2.207 1.00 0.00 N ATOM 899 CA ASN A 63 3.614 6.145 1.153 1.00 0.00 C ATOM 900 C ASN A 63 3.962 7.635 1.137 1.00 0.00 C ATOM 901 O ASN A 63 5.099 8.006 0.852 1.00 0.00 O ATOM 902 CB ASN A 63 3.045 5.777 -0.218 1.00 0.00 C ATOM 903 CG ASN A 63 3.755 4.551 -0.797 1.00 0.00 C ATOM 904 OD1 ASN A 63 4.818 4.640 -1.388 1.00 0.00 O ATOM 905 ND2 ASN A 63 3.109 3.407 -0.594 1.00 0.00 N ATOM 0 H ASN A 63 1.735 5.568 1.880 1.00 0.00 H new ATOM 0 HA ASN A 63 4.497 5.538 1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.977 5.575 -0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.155 6.621 -0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.500 2.532 -0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.222 3.405 -0.090 1.00 0.00 H new ATOM 911 N ARG A 64 2.963 8.447 1.446 1.00 0.00 N ATOM 912 CA ARG A 64 3.149 9.887 1.470 1.00 0.00 C ATOM 913 C ARG A 64 4.028 10.289 2.656 1.00 0.00 C ATOM 914 O ARG A 64 5.091 10.880 2.474 1.00 0.00 O ATOM 915 CB ARG A 64 1.807 10.615 1.570 1.00 0.00 C ATOM 916 CG ARG A 64 0.844 10.141 0.480 1.00 0.00 C ATOM 917 CD ARG A 64 0.660 11.215 -0.595 1.00 0.00 C ATOM 918 NE ARG A 64 -0.781 11.407 -0.876 1.00 0.00 N ATOM 919 CZ ARG A 64 -1.258 12.021 -1.968 1.00 0.00 C ATOM 920 NH1 ARG A 64 -0.412 12.505 -2.887 1.00 0.00 N ATOM 921 NH2 ARG A 64 -2.580 12.151 -2.138 1.00 0.00 N ATOM 0 H ARG A 64 2.021 8.135 1.682 1.00 0.00 H new ATOM 0 HA ARG A 64 3.636 10.173 0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.366 10.439 2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.964 11.690 1.479 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.226 9.227 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.121 9.897 0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.103 12.154 -0.262 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.181 10.922 -1.507 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.453 11.050 -0.196 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.595 12.406 -2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.775 12.972 -3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.223 11.783 -1.437 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.944 12.618 -2.969 1.00 0.00 H new ATOM 932 N ARG A 65 3.551 9.952 3.846 1.00 0.00 N ATOM 933 CA ARG A 65 4.281 10.270 5.062 1.00 0.00 C ATOM 934 C ARG A 65 5.726 9.778 4.958 1.00 0.00 C ATOM 935 O ARG A 65 6.663 10.546 5.170 1.00 0.00 O ATOM 936 CB ARG A 65 3.618 9.631 6.284 1.00 0.00 C ATOM 937 CG ARG A 65 2.297 10.328 6.618 1.00 0.00 C ATOM 938 CD ARG A 65 1.119 9.360 6.489 1.00 0.00 C ATOM 939 NE ARG A 65 0.430 9.225 7.791 1.00 0.00 N ATOM 940 CZ ARG A 65 -0.518 10.064 8.231 1.00 0.00 C ATOM 941 NH1 ARG A 65 -0.894 11.104 7.474 1.00 0.00 N ATOM 942 NH2 ARG A 65 -1.089 9.864 9.426 1.00 0.00 N ATOM 0 H ARG A 65 2.669 9.462 3.994 1.00 0.00 H new ATOM 0 HA ARG A 65 4.271 11.353 5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.437 8.573 6.093 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.291 9.690 7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.337 10.725 7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.150 11.176 5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.421 9.723 5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.474 8.386 6.153 1.00 0.00 H new ATOM 0 HE ARG A 65 0.693 8.444 8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.459 11.256 6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.615 11.743 7.808 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.802 9.073 10.002 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.810 10.503 9.760 1.00 0.00 H new ATOM 953 N HIS A 66 5.860 8.501 4.632 1.00 0.00 N ATOM 954 CA HIS A 66 7.175 7.897 4.498 1.00 0.00 C ATOM 955 C HIS A 66 8.027 8.731 3.539 1.00 0.00 C ATOM 956 O HIS A 66 9.046 9.295 3.938 1.00 0.00 O ATOM 957 CB HIS A 66 7.060 6.434 4.069 1.00 0.00 C ATOM 958 CG HIS A 66 8.369 5.813 3.642 1.00 0.00 C ATOM 959 ND1 HIS A 66 9.431 5.631 4.511 1.00 0.00 N ATOM 960 CD2 HIS A 66 8.776 5.337 2.431 1.00 0.00 C ATOM 961 CE1 HIS A 66 10.427 5.069 3.843 1.00 0.00 C ATOM 962 NE2 HIS A 66 10.020 4.888 2.554 1.00 0.00 N ATOM 0 H HIS A 66 5.080 7.868 4.457 1.00 0.00 H new ATOM 0 HA HIS A 66 7.677 7.892 5.465 1.00 0.00 H new ATOM 0 HB2 HIS A 66 6.648 5.855 4.896 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.350 6.363 3.245 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.187 5.327 1.526 1.00 0.00 H new ATOM 0 HE1 HIS A 66 11.392 4.801 4.248 1.00 0.00 H new ATOM 0 HE2 HIS A 66 10.579 4.476 1.807 1.00 0.00 H new ATOM 969 N THR A 67 7.579 8.784 2.293 1.00 0.00 N ATOM 970 CA THR A 67 8.287 9.540 1.274 1.00 0.00 C ATOM 971 C THR A 67 8.420 11.005 1.693 1.00 0.00 C ATOM 972 O THR A 67 7.420 11.678 1.939 1.00 0.00 O ATOM 973 CB THR A 67 7.549 9.352 -0.053 1.00 0.00 C ATOM 974 OG1 THR A 67 7.857 8.013 -0.434 1.00 0.00 O ATOM 975 CG2 THR A 67 8.140 10.205 -1.177 1.00 0.00 C ATOM 0 H THR A 67 6.734 8.315 1.966 1.00 0.00 H new ATOM 0 HA THR A 67 9.307 9.176 1.149 1.00 0.00 H new ATOM 0 HB THR A 67 6.496 9.603 0.078 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.113 7.424 -0.189 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.580 10.034 -2.096 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.078 11.259 -0.905 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.184 9.931 -1.332 1.00 0.00 H new ATOM 983 N GLU A 68 9.664 11.458 1.762 1.00 0.00 N ATOM 984 CA GLU A 68 9.940 12.831 2.147 1.00 0.00 C ATOM 985 C GLU A 68 9.383 13.114 3.544 1.00 0.00 C ATOM 986 O GLU A 68 8.597 12.329 4.072 1.00 0.00 O ATOM 987 CB GLU A 68 9.371 13.813 1.120 1.00 0.00 C ATOM 988 CG GLU A 68 10.040 13.631 -0.244 1.00 0.00 C ATOM 989 CD GLU A 68 9.151 14.167 -1.367 1.00 0.00 C ATOM 990 OE1 GLU A 68 8.651 15.302 -1.202 1.00 0.00 O ATOM 991 OE2 GLU A 68 8.992 13.432 -2.365 1.00 0.00 O ATOM 0 H GLU A 68 10.492 10.898 1.558 1.00 0.00 H new ATOM 0 HA GLU A 68 11.021 12.970 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.296 13.662 1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.520 14.835 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.998 14.150 -0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.248 12.574 -0.413 1.00 0.00 H new ATOM 996 N LYS A 69 9.811 14.236 4.100 1.00 0.00 N ATOM 997 CA LYS A 69 9.365 14.632 5.425 1.00 0.00 C ATOM 998 C LYS A 69 9.898 13.637 6.457 1.00 0.00 C ATOM 999 O LYS A 69 9.399 12.517 6.561 1.00 0.00 O ATOM 1000 CB LYS A 69 7.844 14.791 5.453 1.00 0.00 C ATOM 1001 CG LYS A 69 7.401 15.980 4.598 1.00 0.00 C ATOM 1002 CD LYS A 69 6.939 17.145 5.475 1.00 0.00 C ATOM 1003 CE LYS A 69 5.931 18.024 4.734 1.00 0.00 C ATOM 1004 NZ LYS A 69 5.480 19.138 5.597 1.00 0.00 N ATOM 0 H LYS A 69 10.462 14.884 3.658 1.00 0.00 H new ATOM 0 HA LYS A 69 9.770 15.610 5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.373 13.879 5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.508 14.932 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.226 16.303 3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.590 15.675 3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.488 16.760 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.800 17.744 5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.385 18.421 3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.074 17.425 4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.796 19.725 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.028 18.754 6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.298 19.719 5.869 1.00 0.00 H new ATOM 1014 N GLN A 70 10.907 14.079 7.194 1.00 0.00 N ATOM 1015 CA GLN A 70 11.513 13.241 8.214 1.00 0.00 C ATOM 1016 C GLN A 70 11.967 11.911 7.607 1.00 0.00 C ATOM 1017 O GLN A 70 11.309 10.887 7.781 1.00 0.00 O ATOM 1018 CB GLN A 70 10.548 13.009 9.379 1.00 0.00 C ATOM 1019 CG GLN A 70 11.096 13.615 10.672 1.00 0.00 C ATOM 1020 CD GLN A 70 9.993 14.335 11.451 1.00 0.00 C ATOM 1021 OE1 GLN A 70 8.837 13.942 11.447 1.00 0.00 O ATOM 1022 NE2 GLN A 70 10.411 15.407 12.118 1.00 0.00 N ATOM 0 H GLN A 70 11.320 15.007 7.105 1.00 0.00 H new ATOM 0 HA GLN A 70 12.388 13.758 8.607 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.579 13.452 9.147 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.386 11.940 9.514 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.530 12.829 11.291 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.898 14.316 10.438 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.393 15.681 12.079 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.750 15.955 12.669 1.00 0.00 H new ATOM 1029 N LYS A 71 13.091 11.971 6.907 1.00 0.00 N ATOM 1030 CA LYS A 71 13.641 10.785 6.272 1.00 0.00 C ATOM 1031 C LYS A 71 14.996 11.127 5.651 1.00 0.00 C ATOM 1032 O LYS A 71 16.029 10.622 6.089 1.00 0.00 O ATOM 1033 CB LYS A 71 12.639 10.195 5.277 1.00 0.00 C ATOM 1034 CG LYS A 71 13.228 8.977 4.564 1.00 0.00 C ATOM 1035 CD LYS A 71 12.827 8.960 3.087 1.00 0.00 C ATOM 1036 CE LYS A 71 13.561 10.054 2.307 1.00 0.00 C ATOM 1037 NZ LYS A 71 12.873 10.327 1.025 1.00 0.00 N ATOM 0 H LYS A 71 13.635 12.822 6.766 1.00 0.00 H new ATOM 0 HA LYS A 71 13.817 10.004 7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.727 9.909 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.361 10.952 4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.315 8.991 4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.882 8.064 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.055 7.985 2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.750 9.104 2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.607 10.965 2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.589 9.746 2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.480 10.029 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.978 9.799 0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.678 11.345 0.946 1.00 0.00 H new ATOM 1047 N GLU A 72 14.949 11.981 4.640 1.00 0.00 N ATOM 1048 CA GLU A 72 16.161 12.396 3.953 1.00 0.00 C ATOM 1049 C GLU A 72 16.783 11.211 3.212 1.00 0.00 C ATOM 1050 O GLU A 72 17.079 10.182 3.816 1.00 0.00 O ATOM 1051 CB GLU A 72 17.160 13.017 4.932 1.00 0.00 C ATOM 1052 CG GLU A 72 17.691 14.350 4.401 1.00 0.00 C ATOM 1053 CD GLU A 72 16.639 15.452 4.540 1.00 0.00 C ATOM 1054 OE1 GLU A 72 15.561 15.289 3.929 1.00 0.00 O ATOM 1055 OE2 GLU A 72 16.938 16.434 5.254 1.00 0.00 O ATOM 0 H GLU A 72 14.091 12.397 4.279 1.00 0.00 H new ATOM 0 HA GLU A 72 15.898 13.159 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 72 16.680 13.172 5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.990 12.330 5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 72 18.592 14.631 4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 72 17.974 14.242 3.354 1.00 0.00 H new ATOM 1060 N SER A 73 16.963 11.396 1.912 1.00 0.00 N ATOM 1061 CA SER A 73 17.544 10.355 1.081 1.00 0.00 C ATOM 1062 C SER A 73 18.477 10.976 0.040 1.00 0.00 C ATOM 1063 O SER A 73 18.096 11.148 -1.117 1.00 0.00 O ATOM 1064 CB SER A 73 16.457 9.528 0.393 1.00 0.00 C ATOM 1065 OG SER A 73 16.144 8.344 1.122 1.00 0.00 O ATOM 0 H SER A 73 16.717 12.251 1.414 1.00 0.00 H new ATOM 0 HA SER A 73 18.119 9.687 1.722 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.557 10.133 0.281 1.00 0.00 H new ATOM 0 HB3 SER A 73 16.787 9.259 -0.610 1.00 0.00 H new ATOM 0 HG SER A 73 15.445 7.845 0.651 1.00 0.00 H new ATOM 1070 N GLY A 74 19.682 11.297 0.488 1.00 0.00 N ATOM 1071 CA GLY A 74 20.673 11.896 -0.390 1.00 0.00 C ATOM 1072 C GLY A 74 20.440 13.401 -0.533 1.00 0.00 C ATOM 1073 O GLY A 74 19.701 13.996 0.251 1.00 0.00 O ATOM 0 H GLY A 74 19.995 11.153 1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 74 21.672 11.715 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 74 20.629 11.423 -1.371 1.00 0.00 H new ATOM 1077 N PRO A 75 21.102 13.990 -1.564 1.00 0.00 N ATOM 1078 CA PRO A 75 20.976 15.414 -1.820 1.00 0.00 C ATOM 1079 C PRO A 75 19.623 15.739 -2.457 1.00 0.00 C ATOM 1080 O PRO A 75 18.905 14.839 -2.890 1.00 0.00 O ATOM 1081 CB PRO A 75 22.153 15.761 -2.716 1.00 0.00 C ATOM 1082 CG PRO A 75 22.628 14.442 -3.307 1.00 0.00 C ATOM 1083 CD PRO A 75 21.987 13.317 -2.512 1.00 0.00 C ATOM 0 HA PRO A 75 21.001 16.008 -0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 75 21.855 16.456 -3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 75 22.948 16.244 -2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 75 22.350 14.373 -4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 75 23.715 14.372 -3.260 1.00 0.00 H new ATOM 0 HD2 PRO A 75 21.431 12.640 -3.161 1.00 0.00 H new ATOM 0 HD3 PRO A 75 22.738 12.719 -1.996 1.00 0.00 H new ATOM 1088 N SER A 76 19.317 17.027 -2.494 1.00 0.00 N ATOM 1089 CA SER A 76 18.063 17.481 -3.072 1.00 0.00 C ATOM 1090 C SER A 76 18.333 18.544 -4.139 1.00 0.00 C ATOM 1091 O SER A 76 18.988 19.549 -3.869 1.00 0.00 O ATOM 1092 CB SER A 76 17.130 18.039 -1.994 1.00 0.00 C ATOM 1093 OG SER A 76 16.252 17.040 -1.481 1.00 0.00 O ATOM 0 H SER A 76 19.915 17.771 -2.134 1.00 0.00 H new ATOM 0 HA SER A 76 17.571 16.626 -3.535 1.00 0.00 H new ATOM 0 HB2 SER A 76 17.724 18.453 -1.179 1.00 0.00 H new ATOM 0 HB3 SER A 76 16.544 18.858 -2.410 1.00 0.00 H new ATOM 0 HG SER A 76 15.674 17.434 -0.795 1.00 0.00 H new ATOM 1098 N SER A 77 17.815 18.284 -5.331 1.00 0.00 N ATOM 1099 CA SER A 77 17.992 19.205 -6.440 1.00 0.00 C ATOM 1100 C SER A 77 16.631 19.586 -7.026 1.00 0.00 C ATOM 1101 O SER A 77 15.887 18.723 -7.491 1.00 0.00 O ATOM 1102 CB SER A 77 18.884 18.596 -7.524 1.00 0.00 C ATOM 1103 OG SER A 77 19.454 19.593 -8.368 1.00 0.00 O ATOM 0 H SER A 77 17.273 17.449 -5.552 1.00 0.00 H new ATOM 0 HA SER A 77 18.483 20.103 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 77 19.681 18.018 -7.056 1.00 0.00 H new ATOM 0 HB3 SER A 77 18.299 17.901 -8.127 1.00 0.00 H new ATOM 0 HG SER A 77 20.018 19.165 -9.046 1.00 0.00 H new ATOM 1108 N GLY A 78 16.346 20.880 -6.987 1.00 0.00 N ATOM 1109 CA GLY A 78 15.088 21.386 -7.508 1.00 0.00 C ATOM 1110 C GLY A 78 15.071 21.344 -9.037 1.00 0.00 C ATOM 1111 O GLY A 78 14.169 20.761 -9.636 1.00 0.00 O ATOM 0 H GLY A 78 16.966 21.593 -6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.263 20.792 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.935 22.410 -7.167 1.00 0.00 H new TER 1115 GLY A 78