USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 732 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 Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -85:sc= -1.79 USER MOD Single : A 13 GLN : amide:sc= -0.0746 K(o=-0.075,f=-1.3) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.501 K(o=-0.5,f=-0.00061) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 72:sc= 0.309 USER MOD Single : A 19 LYS NZ :NH3+ -123:sc= 0.0097 (180deg=-1.03) USER MOD Single : A 20 SER OG : rot -118:sc= -2.14! USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -4.25! X(o=-4.2!,f=-3.8) USER MOD Single : A 27 HIS : no HD1:sc= -3.65! C(o=-3.6!,f=-4.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 100:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HE2:sc= -6.15! C(o=-6.1!,f=-11!) USER MOD Single : A 49 GLN : amide:sc=-0.00284 K(o=-0.0028,f=-0.85) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00637 USER MOD Single : A 57 ASN : amide:sc= -2.28 K(o=-2.3,f=-6.8!) USER MOD Single : A 63 HIS : no HE2:sc= -4.09 K(o=-4.1,f=-4.8!) USER MOD Single : A 64 SER OG : rot -50:sc= 0.211 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.787 USER MOD Single : A 71 SER OG : rot 62:sc= 0.104 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 65:sc= 1.79 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.202 K(o=-0.2,f=-4.2!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 86 LYS NZ :NH3+ 163:sc= -0.137 (180deg=-0.34) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.213 USER MOD Single : A 93 THR OG1 : rot -20:sc= 0.105! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -6.700 -0.312 20.190 1.00 0.00 N ATOM 2 CA ASP A 1 -8.124 0.127 20.239 1.00 0.00 C ATOM 3 C ASP A 1 -8.631 0.439 18.829 1.00 0.00 C ATOM 4 O ASP A 1 -9.691 -0.005 18.429 1.00 0.00 O ATOM 5 CB ASP A 1 -8.119 1.391 21.099 1.00 0.00 C ATOM 6 CG ASP A 1 -9.558 1.839 21.358 1.00 0.00 C ATOM 7 OD1 ASP A 1 -10.260 1.133 22.063 1.00 0.00 O ATOM 8 OD2 ASP A 1 -9.935 2.881 20.846 1.00 0.00 O ATOM 0 H1 ASP A 1 -6.368 -0.521 21.153 1.00 0.00 H new ATOM 0 H2 ASP A 1 -6.620 -1.167 19.603 1.00 0.00 H new ATOM 0 H3 ASP A 1 -6.117 0.445 19.779 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.779 -0.642 20.648 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -7.611 1.198 22.044 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.565 2.184 20.596 1.00 0.00 H new ATOM 13 N LYS A 2 -7.860 1.166 18.060 1.00 0.00 N ATOM 14 CA LYS A 2 -8.268 1.474 16.657 1.00 0.00 C ATOM 15 C LYS A 2 -7.156 1.071 15.684 1.00 0.00 C ATOM 16 O LYS A 2 -6.227 1.820 15.446 1.00 0.00 O ATOM 17 CB LYS A 2 -8.480 2.988 16.629 1.00 0.00 C ATOM 18 CG LYS A 2 -9.962 3.300 16.851 1.00 0.00 C ATOM 19 CD LYS A 2 -10.741 3.024 15.564 1.00 0.00 C ATOM 20 CE LYS A 2 -12.180 3.524 15.720 1.00 0.00 C ATOM 21 NZ LYS A 2 -12.153 4.929 15.225 1.00 0.00 N ATOM 0 H LYS A 2 -6.963 1.560 18.345 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.165 0.931 16.359 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.877 3.465 17.402 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.151 3.394 15.673 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.355 2.690 17.664 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.085 4.342 17.146 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.261 3.523 14.722 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.738 1.956 15.346 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.875 2.915 15.142 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.504 3.477 16.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.105 5.342 15.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.488 5.486 15.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.847 4.941 14.231 1.00 0.00 H new ATOM 35 N ASP A 3 -7.268 -0.093 15.094 1.00 0.00 N ATOM 36 CA ASP A 3 -6.244 -0.536 14.101 1.00 0.00 C ATOM 37 C ASP A 3 -6.768 -0.338 12.676 1.00 0.00 C ATOM 38 O ASP A 3 -7.932 -0.556 12.399 1.00 0.00 O ATOM 39 CB ASP A 3 -6.029 -2.022 14.392 1.00 0.00 C ATOM 40 CG ASP A 3 -5.459 -2.189 15.802 1.00 0.00 C ATOM 41 OD1 ASP A 3 -4.310 -1.830 16.002 1.00 0.00 O ATOM 42 OD2 ASP A 3 -6.182 -2.672 16.658 1.00 0.00 O ATOM 0 H ASP A 3 -8.026 -0.756 15.258 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.318 0.034 14.180 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.972 -2.561 14.303 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.346 -2.452 13.659 1.00 0.00 H new ATOM 47 N VAL A 4 -5.904 0.036 11.762 1.00 0.00 N ATOM 48 CA VAL A 4 -6.323 0.210 10.332 1.00 0.00 C ATOM 49 C VAL A 4 -7.524 1.166 10.233 1.00 0.00 C ATOM 50 O VAL A 4 -8.659 0.770 10.421 1.00 0.00 O ATOM 51 CB VAL A 4 -6.675 -1.210 9.839 1.00 0.00 C ATOM 52 CG1 VAL A 4 -7.391 -1.165 8.482 1.00 0.00 C ATOM 53 CG2 VAL A 4 -5.385 -2.015 9.681 1.00 0.00 C ATOM 0 H VAL A 4 -4.920 0.230 11.946 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.539 0.655 9.720 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.338 -1.673 10.570 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.626 -2.180 8.161 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.313 -0.591 8.576 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.743 -0.692 7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.624 -3.020 9.333 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.736 -1.524 8.955 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.874 -2.076 10.642 1.00 0.00 H new ATOM 63 N LYS A 5 -7.283 2.383 9.820 1.00 0.00 N ATOM 64 CA LYS A 5 -8.409 3.329 9.566 1.00 0.00 C ATOM 65 C LYS A 5 -8.937 3.122 8.145 1.00 0.00 C ATOM 66 O LYS A 5 -8.256 2.569 7.301 1.00 0.00 O ATOM 67 CB LYS A 5 -7.802 4.724 9.719 1.00 0.00 C ATOM 68 CG LYS A 5 -8.922 5.760 9.830 1.00 0.00 C ATOM 69 CD LYS A 5 -8.316 7.165 9.868 1.00 0.00 C ATOM 70 CE LYS A 5 -9.342 8.177 9.352 1.00 0.00 C ATOM 71 NZ LYS A 5 -8.746 9.510 9.645 1.00 0.00 N ATOM 0 H LYS A 5 -6.352 2.763 9.647 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.245 3.180 10.249 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.169 4.761 10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.166 4.951 8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.602 5.668 8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.509 5.581 10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.020 7.418 10.886 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.415 7.201 9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.520 8.050 8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.303 8.055 9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.391 10.258 9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.594 9.605 10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.836 9.599 9.150 1.00 0.00 H new ATOM 85 N TYR A 6 -10.134 3.571 7.869 1.00 0.00 N ATOM 86 CA TYR A 6 -10.695 3.409 6.494 1.00 0.00 C ATOM 87 C TYR A 6 -10.278 4.579 5.600 1.00 0.00 C ATOM 88 O TYR A 6 -10.970 5.574 5.501 1.00 0.00 O ATOM 89 CB TYR A 6 -12.213 3.383 6.680 1.00 0.00 C ATOM 90 CG TYR A 6 -12.665 1.956 6.881 1.00 0.00 C ATOM 91 CD1 TYR A 6 -12.360 0.982 5.922 1.00 0.00 C ATOM 92 CD2 TYR A 6 -13.386 1.605 8.028 1.00 0.00 C ATOM 93 CE1 TYR A 6 -12.777 -0.341 6.108 1.00 0.00 C ATOM 94 CE2 TYR A 6 -13.803 0.282 8.216 1.00 0.00 C ATOM 95 CZ TYR A 6 -13.498 -0.691 7.256 1.00 0.00 C ATOM 96 OH TYR A 6 -13.909 -1.996 7.441 1.00 0.00 O ATOM 0 H TYR A 6 -10.747 4.042 8.535 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.331 2.503 6.009 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.496 3.991 7.539 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.706 3.814 5.808 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.802 1.252 5.038 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.621 2.355 8.769 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.543 -1.091 5.367 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.360 0.012 9.101 1.00 0.00 H new ATOM 0 HH TYR A 6 -14.396 -2.069 8.288 1.00 0.00 H new ATOM 106 N TYR A 7 -9.198 4.419 4.880 1.00 0.00 N ATOM 107 CA TYR A 7 -8.779 5.467 3.901 1.00 0.00 C ATOM 108 C TYR A 7 -9.672 5.386 2.658 1.00 0.00 C ATOM 109 O TYR A 7 -10.705 4.744 2.678 1.00 0.00 O ATOM 110 CB TYR A 7 -7.325 5.127 3.558 1.00 0.00 C ATOM 111 CG TYR A 7 -6.431 5.492 4.721 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.382 4.671 5.854 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.652 6.654 4.665 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.554 5.011 6.930 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.824 6.993 5.741 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.774 6.173 6.874 1.00 0.00 C ATOM 117 OH TYR A 7 -3.958 6.508 7.934 1.00 0.00 O ATOM 0 H TYR A 7 -8.586 3.605 4.928 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.868 6.479 4.295 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.232 4.064 3.335 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.015 5.669 2.664 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.983 3.775 5.898 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.690 7.288 3.792 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.517 4.377 7.804 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.223 7.889 5.697 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.485 7.342 7.732 1.00 0.00 H new ATOM 127 N THR A 8 -9.270 5.995 1.571 1.00 0.00 N ATOM 128 CA THR A 8 -10.087 5.908 0.322 1.00 0.00 C ATOM 129 C THR A 8 -9.182 5.805 -0.908 1.00 0.00 C ATOM 130 O THR A 8 -8.108 6.371 -0.953 1.00 0.00 O ATOM 131 CB THR A 8 -10.897 7.204 0.287 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.014 8.315 0.357 1.00 0.00 O ATOM 133 CG2 THR A 8 -11.859 7.238 1.475 1.00 0.00 C ATOM 0 H THR A 8 -8.415 6.546 1.494 1.00 0.00 H new ATOM 0 HA THR A 8 -10.727 5.025 0.313 1.00 0.00 H new ATOM 0 HB THR A 8 -11.467 7.252 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.807 8.510 1.295 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.436 8.162 1.449 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.536 6.386 1.419 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.291 7.190 2.404 1.00 0.00 H new ATOM 141 N LEU A 9 -9.639 5.116 -1.922 1.00 0.00 N ATOM 142 CA LEU A 9 -8.844 5.001 -3.184 1.00 0.00 C ATOM 143 C LEU A 9 -8.597 6.389 -3.788 1.00 0.00 C ATOM 144 O LEU A 9 -7.612 6.611 -4.468 1.00 0.00 O ATOM 145 CB LEU A 9 -9.707 4.153 -4.123 1.00 0.00 C ATOM 146 CG LEU A 9 -8.828 3.153 -4.876 1.00 0.00 C ATOM 147 CD1 LEU A 9 -8.280 2.115 -3.894 1.00 0.00 C ATOM 148 CD2 LEU A 9 -9.664 2.450 -5.947 1.00 0.00 C ATOM 0 H LEU A 9 -10.533 4.625 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.865 4.552 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.469 3.623 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.230 4.796 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.998 3.679 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.654 1.402 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.687 2.616 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.109 1.587 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.040 1.737 -6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.493 1.923 -5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.056 3.189 -6.646 1.00 0.00 H new ATOM 160 N GLU A 10 -9.470 7.328 -3.519 1.00 0.00 N ATOM 161 CA GLU A 10 -9.272 8.714 -4.047 1.00 0.00 C ATOM 162 C GLU A 10 -8.200 9.446 -3.236 1.00 0.00 C ATOM 163 O GLU A 10 -7.252 9.975 -3.783 1.00 0.00 O ATOM 164 CB GLU A 10 -10.630 9.400 -3.883 1.00 0.00 C ATOM 165 CG GLU A 10 -11.497 9.120 -5.112 1.00 0.00 C ATOM 166 CD GLU A 10 -12.513 10.250 -5.289 1.00 0.00 C ATOM 167 OE1 GLU A 10 -12.087 11.375 -5.496 1.00 0.00 O ATOM 168 OE2 GLU A 10 -13.698 9.972 -5.214 1.00 0.00 O ATOM 0 H GLU A 10 -10.311 7.195 -2.957 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.937 8.714 -5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.127 9.035 -2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.494 10.474 -3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.871 9.037 -6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.014 8.167 -4.996 1.00 0.00 H new ATOM 175 N GLU A 11 -8.329 9.452 -1.933 1.00 0.00 N ATOM 176 CA GLU A 11 -7.300 10.119 -1.076 1.00 0.00 C ATOM 177 C GLU A 11 -5.935 9.452 -1.272 1.00 0.00 C ATOM 178 O GLU A 11 -4.906 10.098 -1.200 1.00 0.00 O ATOM 179 CB GLU A 11 -7.786 9.931 0.363 1.00 0.00 C ATOM 180 CG GLU A 11 -6.954 10.805 1.302 1.00 0.00 C ATOM 181 CD GLU A 11 -5.783 9.990 1.856 1.00 0.00 C ATOM 182 OE1 GLU A 11 -5.982 9.301 2.843 1.00 0.00 O ATOM 183 OE2 GLU A 11 -4.709 10.070 1.285 1.00 0.00 O ATOM 0 H GLU A 11 -9.103 9.024 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.180 11.173 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.840 10.198 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.700 8.884 0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.582 11.679 0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.575 11.172 2.120 1.00 0.00 H new ATOM 190 N ILE A 12 -5.924 8.176 -1.561 1.00 0.00 N ATOM 191 CA ILE A 12 -4.631 7.471 -1.814 1.00 0.00 C ATOM 192 C ILE A 12 -4.115 7.812 -3.217 1.00 0.00 C ATOM 193 O ILE A 12 -2.922 7.854 -3.453 1.00 0.00 O ATOM 194 CB ILE A 12 -4.958 5.977 -1.702 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.485 5.670 -0.297 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.694 5.149 -1.954 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.316 4.386 -0.333 1.00 0.00 C ATOM 0 H ILE A 12 -6.756 7.591 -1.633 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.853 7.765 -1.109 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.715 5.722 -2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.653 5.558 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.093 6.499 0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.932 4.088 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.314 5.361 -2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.936 5.408 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.691 4.167 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.156 4.515 -1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.694 3.559 -0.676 1.00 0.00 H new ATOM 209 N GLN A 13 -5.006 8.095 -4.134 1.00 0.00 N ATOM 210 CA GLN A 13 -4.575 8.483 -5.512 1.00 0.00 C ATOM 211 C GLN A 13 -4.409 10.005 -5.629 1.00 0.00 C ATOM 212 O GLN A 13 -4.405 10.548 -6.718 1.00 0.00 O ATOM 213 CB GLN A 13 -5.701 7.999 -6.426 1.00 0.00 C ATOM 214 CG GLN A 13 -5.669 6.472 -6.512 1.00 0.00 C ATOM 215 CD GLN A 13 -6.875 5.981 -7.316 1.00 0.00 C ATOM 216 OE1 GLN A 13 -7.950 6.539 -7.223 1.00 0.00 O ATOM 217 NE2 GLN A 13 -6.742 4.951 -8.107 1.00 0.00 N ATOM 0 H GLN A 13 -6.015 8.074 -3.987 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.611 8.046 -5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.665 8.332 -6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.588 8.432 -7.420 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.744 6.143 -6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.685 6.040 -5.511 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.840 4.482 -8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.540 4.616 -8.646 1.00 0.00 H new ATOM 226 N LYS A 14 -4.238 10.694 -4.525 1.00 0.00 N ATOM 227 CA LYS A 14 -4.033 12.172 -4.583 1.00 0.00 C ATOM 228 C LYS A 14 -2.785 12.566 -3.787 1.00 0.00 C ATOM 229 O LYS A 14 -2.688 13.666 -3.276 1.00 0.00 O ATOM 230 CB LYS A 14 -5.287 12.770 -3.945 1.00 0.00 C ATOM 231 CG LYS A 14 -5.521 14.176 -4.501 1.00 0.00 C ATOM 232 CD LYS A 14 -6.221 14.079 -5.858 1.00 0.00 C ATOM 233 CE LYS A 14 -7.701 13.752 -5.647 1.00 0.00 C ATOM 234 NZ LYS A 14 -8.175 13.250 -6.967 1.00 0.00 N ATOM 0 H LYS A 14 -4.232 10.294 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.884 12.529 -5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.150 12.137 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.173 12.810 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.129 14.756 -3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.571 14.699 -4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.119 15.019 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.750 13.307 -6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.832 13.001 -4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.260 14.635 -5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.184 13.004 -6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.044 13.989 -7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.629 12.406 -7.234 1.00 0.00 H new ATOM 248 N HIS A 15 -1.818 11.687 -3.712 1.00 0.00 N ATOM 249 CA HIS A 15 -0.553 12.018 -2.989 1.00 0.00 C ATOM 250 C HIS A 15 0.651 11.822 -3.915 1.00 0.00 C ATOM 251 O HIS A 15 1.227 10.752 -3.981 1.00 0.00 O ATOM 252 CB HIS A 15 -0.496 11.033 -1.821 1.00 0.00 C ATOM 253 CG HIS A 15 -1.278 11.585 -0.662 1.00 0.00 C ATOM 254 ND1 HIS A 15 -0.733 11.706 0.607 1.00 0.00 N ATOM 255 CD2 HIS A 15 -2.565 12.053 -0.564 1.00 0.00 C ATOM 256 CE1 HIS A 15 -1.681 12.228 1.407 1.00 0.00 C ATOM 257 NE2 HIS A 15 -2.818 12.458 0.744 1.00 0.00 N ATOM 0 H HIS A 15 -1.850 10.753 -4.121 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.529 13.054 -2.651 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.905 10.069 -2.124 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.539 10.861 -1.526 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.274 12.100 -1.378 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.540 12.436 2.457 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.685 12.847 1.116 1.00 0.00 H new ATOM 266 N LYS A 16 1.054 12.860 -4.604 1.00 0.00 N ATOM 267 CA LYS A 16 2.244 12.757 -5.500 1.00 0.00 C ATOM 268 C LYS A 16 3.391 13.616 -4.961 1.00 0.00 C ATOM 269 O LYS A 16 4.552 13.279 -5.109 1.00 0.00 O ATOM 270 CB LYS A 16 1.768 13.284 -6.853 1.00 0.00 C ATOM 271 CG LYS A 16 1.323 12.112 -7.730 1.00 0.00 C ATOM 272 CD LYS A 16 1.636 12.423 -9.196 1.00 0.00 C ATOM 273 CE LYS A 16 2.039 11.134 -9.917 1.00 0.00 C ATOM 274 NZ LYS A 16 2.500 11.574 -11.263 1.00 0.00 N ATOM 0 H LYS A 16 0.608 13.777 -4.584 1.00 0.00 H new ATOM 0 HA LYS A 16 2.620 11.736 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.942 13.981 -6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.571 13.835 -7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.835 11.200 -7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.255 11.935 -7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.765 12.865 -9.679 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.441 13.155 -9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.831 10.612 -9.380 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.198 10.445 -9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.793 10.745 -11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.723 12.062 -11.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.306 12.223 -11.159 1.00 0.00 H new ATOM 288 N ASP A 17 3.073 14.706 -4.310 1.00 0.00 N ATOM 289 CA ASP A 17 4.140 15.574 -3.725 1.00 0.00 C ATOM 290 C ASP A 17 4.634 14.986 -2.399 1.00 0.00 C ATOM 291 O ASP A 17 4.484 13.809 -2.136 1.00 0.00 O ATOM 292 CB ASP A 17 3.476 16.940 -3.506 1.00 0.00 C ATOM 293 CG ASP A 17 2.284 16.802 -2.550 1.00 0.00 C ATOM 294 OD1 ASP A 17 1.368 16.069 -2.882 1.00 0.00 O ATOM 295 OD2 ASP A 17 2.312 17.432 -1.506 1.00 0.00 O ATOM 0 H ASP A 17 2.119 15.033 -4.158 1.00 0.00 H new ATOM 0 HA ASP A 17 5.010 15.652 -4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.201 17.643 -3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.141 17.347 -4.460 1.00 0.00 H new ATOM 300 N SER A 18 5.192 15.812 -1.548 1.00 0.00 N ATOM 301 CA SER A 18 5.668 15.334 -0.207 1.00 0.00 C ATOM 302 C SER A 18 6.600 14.124 -0.358 1.00 0.00 C ATOM 303 O SER A 18 6.894 13.691 -1.457 1.00 0.00 O ATOM 304 CB SER A 18 4.402 14.944 0.560 1.00 0.00 C ATOM 305 OG SER A 18 3.683 16.120 0.907 1.00 0.00 O ATOM 0 H SER A 18 5.340 16.806 -1.724 1.00 0.00 H new ATOM 0 HA SER A 18 6.238 16.103 0.314 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.780 14.290 -0.051 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.665 14.386 1.459 1.00 0.00 H new ATOM 0 HG SER A 18 3.281 16.507 0.101 1.00 0.00 H new ATOM 311 N LYS A 19 7.030 13.556 0.739 1.00 0.00 N ATOM 312 CA LYS A 19 7.903 12.345 0.671 1.00 0.00 C ATOM 313 C LYS A 19 7.177 11.120 1.239 1.00 0.00 C ATOM 314 O LYS A 19 7.796 10.127 1.576 1.00 0.00 O ATOM 315 CB LYS A 19 9.114 12.690 1.536 1.00 0.00 C ATOM 316 CG LYS A 19 10.146 11.564 1.444 1.00 0.00 C ATOM 317 CD LYS A 19 11.529 12.108 1.804 1.00 0.00 C ATOM 318 CE LYS A 19 11.613 12.336 3.315 1.00 0.00 C ATOM 319 NZ LYS A 19 11.854 10.985 3.894 1.00 0.00 N ATOM 0 H LYS A 19 6.814 13.879 1.682 1.00 0.00 H new ATOM 0 HA LYS A 19 8.180 12.098 -0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.555 13.630 1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.806 12.831 2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.876 10.753 2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.158 11.149 0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.301 11.406 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.713 13.043 1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.421 13.023 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.692 12.772 3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.106 10.764 4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.846 10.275 3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.778 10.972 4.371 1.00 0.00 H new ATOM 333 N SER A 20 5.869 11.166 1.317 1.00 0.00 N ATOM 334 CA SER A 20 5.102 9.990 1.825 1.00 0.00 C ATOM 335 C SER A 20 4.541 9.176 0.655 1.00 0.00 C ATOM 336 O SER A 20 3.505 9.499 0.105 1.00 0.00 O ATOM 337 CB SER A 20 3.968 10.588 2.661 1.00 0.00 C ATOM 338 OG SER A 20 3.874 9.886 3.895 1.00 0.00 O ATOM 0 H SER A 20 5.300 11.970 1.050 1.00 0.00 H new ATOM 0 HA SER A 20 5.724 9.312 2.410 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.155 11.646 2.844 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.025 10.520 2.118 1.00 0.00 H new ATOM 0 HG SER A 20 2.997 9.454 3.960 1.00 0.00 H new ATOM 344 N THR A 21 5.202 8.103 0.299 1.00 0.00 N ATOM 345 CA THR A 21 4.693 7.237 -0.808 1.00 0.00 C ATOM 346 C THR A 21 3.527 6.375 -0.314 1.00 0.00 C ATOM 347 O THR A 21 3.661 5.618 0.631 1.00 0.00 O ATOM 348 CB THR A 21 5.885 6.360 -1.216 1.00 0.00 C ATOM 349 OG1 THR A 21 5.488 5.492 -2.270 1.00 0.00 O ATOM 350 CG2 THR A 21 6.365 5.524 -0.023 1.00 0.00 C ATOM 0 H THR A 21 6.073 7.789 0.728 1.00 0.00 H new ATOM 0 HA THR A 21 4.318 7.822 -1.648 1.00 0.00 H new ATOM 0 HB THR A 21 6.701 7.002 -1.548 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.247 4.931 -2.535 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.211 4.907 -0.328 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.672 6.187 0.786 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.554 4.883 0.322 1.00 0.00 H new ATOM 358 N TRP A 22 2.397 6.458 -0.970 1.00 0.00 N ATOM 359 CA TRP A 22 1.229 5.617 -0.572 1.00 0.00 C ATOM 360 C TRP A 22 1.080 4.427 -1.526 1.00 0.00 C ATOM 361 O TRP A 22 0.225 4.423 -2.394 1.00 0.00 O ATOM 362 CB TRP A 22 0.015 6.544 -0.675 1.00 0.00 C ATOM 363 CG TRP A 22 -0.137 7.326 0.593 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.870 7.938 1.262 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.352 7.596 1.352 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.350 8.562 2.382 1.00 0.00 N ATOM 367 CE2 TRP A 22 -1.016 8.381 2.480 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.701 7.239 1.171 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.983 8.796 3.396 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.677 7.655 2.090 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.318 8.432 3.201 1.00 0.00 C ATOM 0 H TRP A 22 2.233 7.074 -1.766 1.00 0.00 H new ATOM 0 HA TRP A 22 1.342 5.206 0.431 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.135 7.223 -1.519 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.886 5.959 -0.862 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.909 7.939 0.969 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.907 9.091 3.053 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.987 6.641 0.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.702 9.394 4.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.709 7.375 1.941 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.073 8.749 3.905 1.00 0.00 H new ATOM 382 N VAL A 23 1.849 3.388 -1.320 1.00 0.00 N ATOM 383 CA VAL A 23 1.694 2.159 -2.155 1.00 0.00 C ATOM 384 C VAL A 23 0.504 1.346 -1.639 1.00 0.00 C ATOM 385 O VAL A 23 0.247 1.301 -0.452 1.00 0.00 O ATOM 386 CB VAL A 23 3.001 1.379 -1.972 1.00 0.00 C ATOM 387 CG1 VAL A 23 2.951 0.088 -2.793 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.182 2.230 -2.449 1.00 0.00 C ATOM 0 H VAL A 23 2.578 3.338 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 23 1.509 2.384 -3.205 1.00 0.00 H new ATOM 0 HB VAL A 23 3.126 1.138 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.882 -0.464 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.115 -0.525 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.821 0.332 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.109 1.672 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.052 2.474 -3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.226 3.150 -1.866 1.00 0.00 H new ATOM 398 N ILE A 24 -0.226 0.712 -2.519 1.00 0.00 N ATOM 399 CA ILE A 24 -1.405 -0.091 -2.072 1.00 0.00 C ATOM 400 C ILE A 24 -1.175 -1.581 -2.342 1.00 0.00 C ATOM 401 O ILE A 24 -0.782 -1.974 -3.424 1.00 0.00 O ATOM 402 CB ILE A 24 -2.585 0.436 -2.895 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.776 1.939 -2.624 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.861 -0.318 -2.505 1.00 0.00 C ATOM 405 CD1 ILE A 24 -3.047 2.671 -3.940 1.00 0.00 C ATOM 0 H ILE A 24 -0.058 0.715 -3.525 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.583 0.006 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.381 0.282 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.606 2.091 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.886 2.348 -2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.699 0.058 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.729 -1.382 -2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.063 -0.167 -1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.182 3.735 -3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.203 2.531 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.950 2.270 -4.400 1.00 0.00 H new ATOM 417 N LEU A 25 -1.513 -2.411 -1.390 1.00 0.00 N ATOM 418 CA LEU A 25 -1.429 -3.885 -1.602 1.00 0.00 C ATOM 419 C LEU A 25 -2.837 -4.448 -1.803 1.00 0.00 C ATOM 420 O LEU A 25 -3.327 -5.216 -1.000 1.00 0.00 O ATOM 421 CB LEU A 25 -0.795 -4.434 -0.315 1.00 0.00 C ATOM 422 CG LEU A 25 0.674 -4.811 -0.558 1.00 0.00 C ATOM 423 CD1 LEU A 25 0.758 -5.919 -1.611 1.00 0.00 C ATOM 424 CD2 LEU A 25 1.456 -3.586 -1.044 1.00 0.00 C ATOM 0 H LEU A 25 -1.846 -2.128 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.845 -4.157 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.859 -3.687 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.349 -5.308 0.026 1.00 0.00 H new ATOM 0 HG LEU A 25 1.106 -5.166 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.802 -6.182 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.214 -6.796 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.317 -5.568 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.497 -3.862 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.021 -3.222 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.408 -2.801 -0.290 1.00 0.00 H new ATOM 436 N HIS A 26 -3.495 -4.028 -2.866 1.00 0.00 N ATOM 437 CA HIS A 26 -4.903 -4.473 -3.174 1.00 0.00 C ATOM 438 C HIS A 26 -5.778 -4.577 -1.911 1.00 0.00 C ATOM 439 O HIS A 26 -6.750 -5.306 -1.883 1.00 0.00 O ATOM 440 CB HIS A 26 -4.766 -5.833 -3.880 1.00 0.00 C ATOM 441 CG HIS A 26 -4.179 -6.865 -2.953 1.00 0.00 C ATOM 442 ND1 HIS A 26 -4.965 -7.622 -2.098 1.00 0.00 N ATOM 443 CD2 HIS A 26 -2.887 -7.283 -2.743 1.00 0.00 C ATOM 444 CE1 HIS A 26 -4.147 -8.448 -1.419 1.00 0.00 C ATOM 445 NE2 HIS A 26 -2.870 -8.282 -1.774 1.00 0.00 N ATOM 0 H HIS A 26 -3.105 -3.379 -3.550 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.409 -3.742 -3.804 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.744 -6.166 -4.229 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.132 -5.728 -4.761 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.017 -6.895 -3.252 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.482 -9.158 -0.678 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.057 -8.780 -1.412 1.00 0.00 H new ATOM 453 N HIS A 27 -5.489 -3.780 -0.904 1.00 0.00 N ATOM 454 CA HIS A 27 -6.351 -3.742 0.322 1.00 0.00 C ATOM 455 C HIS A 27 -5.812 -2.692 1.303 1.00 0.00 C ATOM 456 O HIS A 27 -6.450 -1.690 1.566 1.00 0.00 O ATOM 457 CB HIS A 27 -6.268 -5.145 0.951 1.00 0.00 C ATOM 458 CG HIS A 27 -7.116 -5.195 2.198 1.00 0.00 C ATOM 459 ND1 HIS A 27 -7.053 -6.250 3.094 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.044 -4.321 2.712 1.00 0.00 C ATOM 461 CE1 HIS A 27 -7.918 -5.987 4.090 1.00 0.00 C ATOM 462 NE2 HIS A 27 -8.548 -4.824 3.907 1.00 0.00 N ATOM 0 H HIS A 27 -4.687 -3.151 -0.881 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.380 -3.477 0.081 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.609 -5.895 0.237 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.233 -5.384 1.194 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.337 -3.386 2.257 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.083 -6.638 4.936 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.248 -4.396 4.513 1.00 0.00 H new ATOM 470 N LYS A 28 -4.649 -2.930 1.855 1.00 0.00 N ATOM 471 CA LYS A 28 -4.064 -1.967 2.836 1.00 0.00 C ATOM 472 C LYS A 28 -3.350 -0.824 2.112 1.00 0.00 C ATOM 473 O LYS A 28 -2.960 -0.951 0.967 1.00 0.00 O ATOM 474 CB LYS A 28 -3.066 -2.790 3.652 1.00 0.00 C ATOM 475 CG LYS A 28 -3.822 -3.789 4.532 1.00 0.00 C ATOM 476 CD LYS A 28 -3.033 -5.097 4.616 1.00 0.00 C ATOM 477 CE LYS A 28 -3.595 -5.962 5.748 1.00 0.00 C ATOM 478 NZ LYS A 28 -3.434 -7.365 5.275 1.00 0.00 N ATOM 0 H LYS A 28 -4.077 -3.754 1.667 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.829 -1.509 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.385 -3.320 2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.457 -2.132 4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.966 -3.374 5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.813 -3.976 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.096 -5.633 3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.978 -4.887 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.054 -5.795 6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.642 -5.728 5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.797 -8.019 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.966 -7.496 4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.427 -7.561 5.106 1.00 0.00 H new ATOM 492 N VAL A 29 -3.136 0.271 2.795 1.00 0.00 N ATOM 493 CA VAL A 29 -2.396 1.414 2.178 1.00 0.00 C ATOM 494 C VAL A 29 -1.040 1.576 2.867 1.00 0.00 C ATOM 495 O VAL A 29 -0.952 1.610 4.079 1.00 0.00 O ATOM 496 CB VAL A 29 -3.279 2.645 2.417 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.644 3.864 1.748 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.673 2.409 1.822 1.00 0.00 C ATOM 0 H VAL A 29 -3.442 0.424 3.756 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.204 1.264 1.116 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.369 2.819 3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.271 4.740 1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.655 4.038 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.553 3.685 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.296 3.287 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.586 2.231 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.129 1.541 2.298 1.00 0.00 H new ATOM 508 N TYR A 30 0.019 1.617 2.101 1.00 0.00 N ATOM 509 CA TYR A 30 1.381 1.705 2.705 1.00 0.00 C ATOM 510 C TYR A 30 1.946 3.122 2.587 1.00 0.00 C ATOM 511 O TYR A 30 2.306 3.563 1.511 1.00 0.00 O ATOM 512 CB TYR A 30 2.236 0.735 1.890 1.00 0.00 C ATOM 513 CG TYR A 30 1.943 -0.684 2.305 1.00 0.00 C ATOM 514 CD1 TYR A 30 0.677 -1.235 2.080 1.00 0.00 C ATOM 515 CD2 TYR A 30 2.941 -1.449 2.914 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.409 -2.552 2.464 1.00 0.00 C ATOM 517 CE2 TYR A 30 2.676 -2.767 3.300 1.00 0.00 C ATOM 518 CZ TYR A 30 1.410 -3.320 3.075 1.00 0.00 C ATOM 519 OH TYR A 30 1.146 -4.620 3.455 1.00 0.00 O ATOM 0 H TYR A 30 -0.001 1.593 1.081 1.00 0.00 H new ATOM 0 HA TYR A 30 1.364 1.462 3.767 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.031 0.861 0.827 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.293 0.955 2.039 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.094 -0.643 1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.918 -1.022 3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.568 -2.977 2.290 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.448 -3.358 3.771 1.00 0.00 H new ATOM 0 HH TYR A 30 1.505 -5.237 2.783 1.00 0.00 H new ATOM 529 N ASP A 31 2.183 3.764 3.702 1.00 0.00 N ATOM 530 CA ASP A 31 2.908 5.069 3.678 1.00 0.00 C ATOM 531 C ASP A 31 4.377 4.822 4.023 1.00 0.00 C ATOM 532 O ASP A 31 4.817 5.077 5.128 1.00 0.00 O ATOM 533 CB ASP A 31 2.234 5.927 4.748 1.00 0.00 C ATOM 534 CG ASP A 31 2.577 7.399 4.513 1.00 0.00 C ATOM 535 OD1 ASP A 31 2.632 7.797 3.362 1.00 0.00 O ATOM 536 OD2 ASP A 31 2.778 8.103 5.490 1.00 0.00 O ATOM 0 H ASP A 31 1.905 3.440 4.629 1.00 0.00 H new ATOM 0 HA ASP A 31 2.873 5.559 2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.154 5.785 4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.567 5.619 5.739 1.00 0.00 H new ATOM 541 N LEU A 32 5.111 4.250 3.105 1.00 0.00 N ATOM 542 CA LEU A 32 6.536 3.887 3.391 1.00 0.00 C ATOM 543 C LEU A 32 7.427 5.127 3.268 1.00 0.00 C ATOM 544 O LEU A 32 8.293 5.198 2.415 1.00 0.00 O ATOM 545 CB LEU A 32 6.932 2.828 2.338 1.00 0.00 C ATOM 546 CG LEU A 32 5.815 1.777 2.162 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.153 1.958 0.791 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.401 0.365 2.255 1.00 0.00 C ATOM 0 H LEU A 32 4.787 4.017 2.166 1.00 0.00 H new ATOM 0 HA LEU A 32 6.656 3.498 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.131 3.316 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.855 2.335 2.642 1.00 0.00 H new ATOM 0 HG LEU A 32 5.075 1.912 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.364 1.216 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.724 2.958 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.899 1.829 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.605 -0.368 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.147 0.228 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.869 0.229 3.230 1.00 0.00 H new ATOM 560 N THR A 33 7.238 6.091 4.134 1.00 0.00 N ATOM 561 CA THR A 33 8.091 7.320 4.095 1.00 0.00 C ATOM 562 C THR A 33 9.554 6.964 4.376 1.00 0.00 C ATOM 563 O THR A 33 10.441 7.320 3.624 1.00 0.00 O ATOM 564 CB THR A 33 7.542 8.229 5.199 1.00 0.00 C ATOM 565 OG1 THR A 33 7.628 7.559 6.448 1.00 0.00 O ATOM 566 CG2 THR A 33 6.081 8.575 4.903 1.00 0.00 C ATOM 0 H THR A 33 6.529 6.081 4.867 1.00 0.00 H new ATOM 0 HA THR A 33 8.063 7.803 3.118 1.00 0.00 H new ATOM 0 HB THR A 33 8.128 9.147 5.237 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.279 8.140 7.156 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.694 9.222 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.016 9.091 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.491 7.659 4.863 1.00 0.00 H new ATOM 574 N LYS A 34 9.805 6.237 5.436 1.00 0.00 N ATOM 575 CA LYS A 34 11.210 5.822 5.752 1.00 0.00 C ATOM 576 C LYS A 34 11.797 5.004 4.597 1.00 0.00 C ATOM 577 O LYS A 34 12.988 5.029 4.351 1.00 0.00 O ATOM 578 CB LYS A 34 11.104 4.963 7.015 1.00 0.00 C ATOM 579 CG LYS A 34 11.368 5.828 8.248 1.00 0.00 C ATOM 580 CD LYS A 34 12.855 6.186 8.311 1.00 0.00 C ATOM 581 CE LYS A 34 13.033 7.491 9.091 1.00 0.00 C ATOM 582 NZ LYS A 34 14.441 7.460 9.575 1.00 0.00 N ATOM 0 H LYS A 34 9.099 5.912 6.097 1.00 0.00 H new ATOM 0 HA LYS A 34 11.865 6.681 5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.113 4.514 7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.823 4.145 6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.766 6.736 8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.073 5.293 9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.413 5.383 8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.257 6.294 7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.853 8.358 8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.331 7.553 9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.640 8.323 10.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.581 6.627 10.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.087 7.408 8.761 1.00 0.00 H new ATOM 596 N PHE A 35 10.958 4.326 3.855 1.00 0.00 N ATOM 597 CA PHE A 35 11.450 3.554 2.672 1.00 0.00 C ATOM 598 C PHE A 35 11.824 4.516 1.541 1.00 0.00 C ATOM 599 O PHE A 35 12.810 4.327 0.854 1.00 0.00 O ATOM 600 CB PHE A 35 10.269 2.669 2.259 1.00 0.00 C ATOM 601 CG PHE A 35 10.652 1.815 1.071 1.00 0.00 C ATOM 602 CD1 PHE A 35 10.697 2.380 -0.209 1.00 0.00 C ATOM 603 CD2 PHE A 35 10.955 0.460 1.250 1.00 0.00 C ATOM 604 CE1 PHE A 35 11.047 1.592 -1.309 1.00 0.00 C ATOM 605 CE2 PHE A 35 11.304 -0.329 0.146 1.00 0.00 C ATOM 606 CZ PHE A 35 11.351 0.238 -1.133 1.00 0.00 C ATOM 0 H PHE A 35 9.952 4.273 4.017 1.00 0.00 H new ATOM 0 HA PHE A 35 12.339 2.965 2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.971 2.033 3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 35 9.409 3.290 2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 35 10.461 3.425 -0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.920 0.024 2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.083 2.029 -2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.537 -1.375 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.622 -0.370 -1.984 1.00 0.00 H new ATOM 616 N LEU A 36 11.044 5.552 1.351 1.00 0.00 N ATOM 617 CA LEU A 36 11.351 6.543 0.271 1.00 0.00 C ATOM 618 C LEU A 36 12.756 7.130 0.463 1.00 0.00 C ATOM 619 O LEU A 36 13.394 7.555 -0.483 1.00 0.00 O ATOM 620 CB LEU A 36 10.290 7.642 0.419 1.00 0.00 C ATOM 621 CG LEU A 36 9.748 8.029 -0.959 1.00 0.00 C ATOM 622 CD1 LEU A 36 8.373 8.679 -0.801 1.00 0.00 C ATOM 623 CD2 LEU A 36 10.704 9.022 -1.627 1.00 0.00 C ATOM 0 H LEU A 36 10.207 5.755 1.897 1.00 0.00 H new ATOM 0 HA LEU A 36 11.331 6.085 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.477 7.292 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.723 8.515 0.908 1.00 0.00 H new ATOM 0 HG LEU A 36 9.662 7.135 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.986 8.955 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.690 7.974 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.461 9.572 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.316 9.296 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.791 9.915 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.686 8.562 -1.740 1.00 0.00 H new ATOM 635 N GLU A 37 13.244 7.145 1.679 1.00 0.00 N ATOM 636 CA GLU A 37 14.611 7.688 1.941 1.00 0.00 C ATOM 637 C GLU A 37 15.676 6.621 1.672 1.00 0.00 C ATOM 638 O GLU A 37 16.787 6.929 1.281 1.00 0.00 O ATOM 639 CB GLU A 37 14.606 8.076 3.420 1.00 0.00 C ATOM 640 CG GLU A 37 15.675 9.140 3.673 1.00 0.00 C ATOM 641 CD GLU A 37 15.141 10.511 3.254 1.00 0.00 C ATOM 642 OE1 GLU A 37 14.869 10.684 2.077 1.00 0.00 O ATOM 643 OE2 GLU A 37 15.014 11.365 4.116 1.00 0.00 O ATOM 0 H GLU A 37 12.751 6.803 2.504 1.00 0.00 H new ATOM 0 HA GLU A 37 14.845 8.534 1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.625 8.457 3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.798 7.199 4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.949 9.152 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.579 8.903 3.112 1.00 0.00 H new ATOM 650 N GLU A 38 15.337 5.367 1.844 1.00 0.00 N ATOM 651 CA GLU A 38 16.318 4.276 1.560 1.00 0.00 C ATOM 652 C GLU A 38 16.382 4.009 0.055 1.00 0.00 C ATOM 653 O GLU A 38 17.366 4.312 -0.594 1.00 0.00 O ATOM 654 CB GLU A 38 15.778 3.051 2.303 1.00 0.00 C ATOM 655 CG GLU A 38 16.939 2.285 2.942 1.00 0.00 C ATOM 656 CD GLU A 38 17.675 1.484 1.866 1.00 0.00 C ATOM 657 OE1 GLU A 38 18.377 2.094 1.077 1.00 0.00 O ATOM 658 OE2 GLU A 38 17.525 0.274 1.851 1.00 0.00 O ATOM 0 H GLU A 38 14.423 5.052 2.169 1.00 0.00 H new ATOM 0 HA GLU A 38 17.328 4.531 1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.068 3.362 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.238 2.403 1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.625 2.980 3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.565 1.616 3.717 1.00 0.00 H new ATOM 665 N HIS A 39 15.310 3.524 -0.516 1.00 0.00 N ATOM 666 CA HIS A 39 15.263 3.329 -1.995 1.00 0.00 C ATOM 667 C HIS A 39 14.972 4.673 -2.680 1.00 0.00 C ATOM 668 O HIS A 39 14.634 5.630 -2.013 1.00 0.00 O ATOM 669 CB HIS A 39 14.115 2.344 -2.228 1.00 0.00 C ATOM 670 CG HIS A 39 14.431 1.032 -1.563 1.00 0.00 C ATOM 671 ND1 HIS A 39 14.021 0.741 -0.271 1.00 0.00 N ATOM 672 CD2 HIS A 39 15.114 -0.076 -1.998 1.00 0.00 C ATOM 673 CE1 HIS A 39 14.457 -0.497 0.023 1.00 0.00 C ATOM 674 NE2 HIS A 39 15.129 -1.041 -0.995 1.00 0.00 N ATOM 0 H HIS A 39 14.461 3.254 -0.019 1.00 0.00 H new ATOM 0 HA HIS A 39 16.203 2.955 -2.401 1.00 0.00 H new ATOM 0 HB2 HIS A 39 13.186 2.751 -1.828 1.00 0.00 H new ATOM 0 HB3 HIS A 39 13.963 2.194 -3.297 1.00 0.00 H new ATOM 0 HD1 HIS A 39 13.486 1.354 0.344 1.00 0.00 H new ATOM 0 HD2 HIS A 39 15.571 -0.183 -2.971 1.00 0.00 H new ATOM 0 HE1 HIS A 39 14.285 -0.991 0.968 1.00 0.00 H new ATOM 682 N PRO A 40 15.103 4.717 -3.993 1.00 0.00 N ATOM 683 CA PRO A 40 14.836 5.980 -4.738 1.00 0.00 C ATOM 684 C PRO A 40 13.462 6.549 -4.360 1.00 0.00 C ATOM 685 O PRO A 40 13.279 7.750 -4.277 1.00 0.00 O ATOM 686 CB PRO A 40 14.863 5.550 -6.201 1.00 0.00 C ATOM 687 CG PRO A 40 15.709 4.317 -6.222 1.00 0.00 C ATOM 688 CD PRO A 40 15.508 3.627 -4.899 1.00 0.00 C ATOM 0 HA PRO A 40 15.559 6.765 -4.517 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.858 5.347 -6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.285 6.330 -6.835 1.00 0.00 H new ATOM 0 HG2 PRO A 40 15.420 3.664 -7.046 1.00 0.00 H new ATOM 0 HG3 PRO A 40 16.759 4.571 -6.370 1.00 0.00 H new ATOM 0 HD2 PRO A 40 14.742 2.854 -4.963 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.422 3.142 -4.558 1.00 0.00 H new ATOM 696 N GLY A 41 12.537 5.689 -4.015 1.00 0.00 N ATOM 697 CA GLY A 41 11.218 6.162 -3.505 1.00 0.00 C ATOM 698 C GLY A 41 10.362 6.691 -4.657 1.00 0.00 C ATOM 699 O GLY A 41 9.294 6.178 -4.929 1.00 0.00 O ATOM 0 H GLY A 41 12.641 4.676 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.700 5.344 -3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.367 6.947 -2.764 1.00 0.00 H new ATOM 703 N GLY A 42 10.815 7.717 -5.331 1.00 0.00 N ATOM 704 CA GLY A 42 10.021 8.282 -6.462 1.00 0.00 C ATOM 705 C GLY A 42 10.518 7.713 -7.794 1.00 0.00 C ATOM 706 O GLY A 42 10.306 8.295 -8.840 1.00 0.00 O ATOM 0 H GLY A 42 11.701 8.188 -5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.965 8.045 -6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.106 9.369 -6.468 1.00 0.00 H new ATOM 710 N GLU A 43 11.114 6.546 -7.770 1.00 0.00 N ATOM 711 CA GLU A 43 11.550 5.899 -9.046 1.00 0.00 C ATOM 712 C GLU A 43 11.411 4.373 -8.937 1.00 0.00 C ATOM 713 O GLU A 43 10.394 3.814 -9.304 1.00 0.00 O ATOM 714 CB GLU A 43 13.012 6.316 -9.227 1.00 0.00 C ATOM 715 CG GLU A 43 13.072 7.748 -9.765 1.00 0.00 C ATOM 716 CD GLU A 43 14.508 8.079 -10.178 1.00 0.00 C ATOM 717 OE1 GLU A 43 15.003 7.438 -11.091 1.00 0.00 O ATOM 718 OE2 GLU A 43 15.087 8.966 -9.574 1.00 0.00 O ATOM 0 H GLU A 43 11.317 6.015 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 43 10.944 6.204 -9.899 1.00 0.00 H new ATOM 0 HB2 GLU A 43 13.540 6.251 -8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.512 5.636 -9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.403 7.855 -10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.731 8.449 -9.003 1.00 0.00 H new ATOM 725 N GLU A 44 12.381 3.705 -8.356 1.00 0.00 N ATOM 726 CA GLU A 44 12.255 2.235 -8.133 1.00 0.00 C ATOM 727 C GLU A 44 11.854 1.970 -6.680 1.00 0.00 C ATOM 728 O GLU A 44 12.653 1.524 -5.877 1.00 0.00 O ATOM 729 CB GLU A 44 13.644 1.664 -8.425 1.00 0.00 C ATOM 730 CG GLU A 44 14.010 1.933 -9.886 1.00 0.00 C ATOM 731 CD GLU A 44 13.567 0.750 -10.750 1.00 0.00 C ATOM 732 OE1 GLU A 44 12.430 0.758 -11.192 1.00 0.00 O ATOM 733 OE2 GLU A 44 14.373 -0.142 -10.954 1.00 0.00 O ATOM 0 H GLU A 44 13.254 4.118 -8.028 1.00 0.00 H new ATOM 0 HA GLU A 44 11.495 1.778 -8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.382 2.119 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.657 0.592 -8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.529 2.848 -10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.085 2.083 -9.981 1.00 0.00 H new ATOM 740 N VAL A 45 10.625 2.257 -6.337 1.00 0.00 N ATOM 741 CA VAL A 45 10.165 2.040 -4.934 1.00 0.00 C ATOM 742 C VAL A 45 9.165 0.878 -4.868 1.00 0.00 C ATOM 743 O VAL A 45 8.268 0.768 -5.681 1.00 0.00 O ATOM 744 CB VAL A 45 9.515 3.371 -4.517 1.00 0.00 C ATOM 745 CG1 VAL A 45 8.295 3.677 -5.391 1.00 0.00 C ATOM 746 CG2 VAL A 45 9.080 3.291 -3.055 1.00 0.00 C ATOM 0 H VAL A 45 9.919 2.633 -6.970 1.00 0.00 H new ATOM 0 HA VAL A 45 10.983 1.770 -4.266 1.00 0.00 H new ATOM 0 HB VAL A 45 10.247 4.168 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.851 4.622 -5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.603 3.748 -6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.561 2.879 -5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.620 4.234 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.360 2.482 -2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.950 3.100 -2.427 1.00 0.00 H new ATOM 756 N LEU A 46 9.307 0.023 -3.884 1.00 0.00 N ATOM 757 CA LEU A 46 8.360 -1.129 -3.712 1.00 0.00 C ATOM 758 C LEU A 46 8.129 -1.872 -5.036 1.00 0.00 C ATOM 759 O LEU A 46 7.005 -2.094 -5.445 1.00 0.00 O ATOM 760 CB LEU A 46 7.063 -0.497 -3.209 1.00 0.00 C ATOM 761 CG LEU A 46 7.073 -0.473 -1.677 1.00 0.00 C ATOM 762 CD1 LEU A 46 7.537 0.902 -1.186 1.00 0.00 C ATOM 763 CD2 LEU A 46 5.664 -0.755 -1.153 1.00 0.00 C ATOM 0 H LEU A 46 10.047 0.073 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 46 8.754 -1.874 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.963 0.516 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.205 -1.064 -3.570 1.00 0.00 H new ATOM 0 HG LEU A 46 7.757 -1.237 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.543 0.916 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.542 1.101 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.856 1.669 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.671 -0.738 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.979 0.007 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.337 -1.736 -1.498 1.00 0.00 H new ATOM 775 N ARG A 47 9.189 -2.283 -5.691 1.00 0.00 N ATOM 776 CA ARG A 47 9.053 -3.050 -6.975 1.00 0.00 C ATOM 777 C ARG A 47 8.165 -2.291 -7.968 1.00 0.00 C ATOM 778 O ARG A 47 7.454 -2.884 -8.757 1.00 0.00 O ATOM 779 CB ARG A 47 8.410 -4.384 -6.588 1.00 0.00 C ATOM 780 CG ARG A 47 8.431 -5.330 -7.790 1.00 0.00 C ATOM 781 CD ARG A 47 8.600 -6.771 -7.303 1.00 0.00 C ATOM 782 NE ARG A 47 7.728 -7.587 -8.203 1.00 0.00 N ATOM 783 CZ ARG A 47 8.078 -7.850 -9.447 1.00 0.00 C ATOM 784 NH1 ARG A 47 9.226 -7.445 -9.940 1.00 0.00 N ATOM 785 NH2 ARG A 47 7.264 -8.530 -10.208 1.00 0.00 N ATOM 0 H ARG A 47 10.150 -2.120 -5.391 1.00 0.00 H new ATOM 0 HA ARG A 47 10.017 -3.192 -7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.948 -4.830 -5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.384 -4.223 -6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.506 -5.233 -8.359 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.247 -5.064 -8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.640 -7.090 -7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.298 -6.874 -6.261 1.00 0.00 H new ATOM 0 HE ARG A 47 6.843 -7.948 -7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.872 -6.913 -9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.471 -7.663 -10.906 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.369 -8.851 -9.839 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.523 -8.740 -11.172 1.00 0.00 H new ATOM 799 N GLU A 48 8.231 -0.980 -7.959 1.00 0.00 N ATOM 800 CA GLU A 48 7.429 -0.160 -8.927 1.00 0.00 C ATOM 801 C GLU A 48 5.945 -0.548 -8.870 1.00 0.00 C ATOM 802 O GLU A 48 5.306 -0.740 -9.886 1.00 0.00 O ATOM 803 CB GLU A 48 8.012 -0.472 -10.308 1.00 0.00 C ATOM 804 CG GLU A 48 9.242 0.404 -10.553 1.00 0.00 C ATOM 805 CD GLU A 48 9.518 0.489 -12.055 1.00 0.00 C ATOM 806 OE1 GLU A 48 8.972 1.378 -12.688 1.00 0.00 O ATOM 807 OE2 GLU A 48 10.271 -0.335 -12.548 1.00 0.00 O ATOM 0 H GLU A 48 8.810 -0.438 -7.318 1.00 0.00 H new ATOM 0 HA GLU A 48 7.484 0.903 -8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.285 -1.526 -10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.264 -0.291 -11.080 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.078 1.402 -10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.107 -0.013 -10.037 1.00 0.00 H new ATOM 814 N GLN A 49 5.386 -0.625 -7.684 1.00 0.00 N ATOM 815 CA GLN A 49 3.928 -0.953 -7.540 1.00 0.00 C ATOM 816 C GLN A 49 3.582 -2.238 -8.302 1.00 0.00 C ATOM 817 O GLN A 49 4.455 -2.971 -8.728 1.00 0.00 O ATOM 818 CB GLN A 49 3.180 0.243 -8.136 1.00 0.00 C ATOM 819 CG GLN A 49 3.527 1.507 -7.348 1.00 0.00 C ATOM 820 CD GLN A 49 2.349 2.482 -7.400 1.00 0.00 C ATOM 821 OE1 GLN A 49 1.558 2.450 -8.322 1.00 0.00 O ATOM 822 NE2 GLN A 49 2.196 3.354 -6.440 1.00 0.00 N ATOM 0 H GLN A 49 5.879 -0.474 -6.804 1.00 0.00 H new ATOM 0 HA GLN A 49 3.655 -1.124 -6.499 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.451 0.369 -9.184 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.105 0.066 -8.104 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.756 1.252 -6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.419 1.975 -7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.859 3.382 -5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.413 4.007 -6.465 1.00 0.00 H new ATOM 831 N ALA A 50 2.315 -2.493 -8.506 1.00 0.00 N ATOM 832 CA ALA A 50 1.903 -3.704 -9.278 1.00 0.00 C ATOM 833 C ALA A 50 0.773 -3.353 -10.250 1.00 0.00 C ATOM 834 O ALA A 50 -0.241 -2.803 -9.861 1.00 0.00 O ATOM 835 CB ALA A 50 1.414 -4.697 -8.224 1.00 0.00 C ATOM 0 H ALA A 50 1.546 -1.913 -8.170 1.00 0.00 H new ATOM 0 HA ALA A 50 2.719 -4.111 -9.875 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.092 -5.617 -8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.224 -4.919 -7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.576 -4.264 -7.677 1.00 0.00 H new ATOM 841 N GLY A 51 0.925 -3.705 -11.501 1.00 0.00 N ATOM 842 CA GLY A 51 -0.154 -3.437 -12.497 1.00 0.00 C ATOM 843 C GLY A 51 -1.399 -4.248 -12.133 1.00 0.00 C ATOM 844 O GLY A 51 -2.262 -3.784 -11.413 1.00 0.00 O ATOM 0 H GLY A 51 1.753 -4.168 -11.876 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.392 -2.373 -12.513 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.186 -3.703 -13.498 1.00 0.00 H new ATOM 848 N GLY A 52 -1.474 -5.471 -12.595 1.00 0.00 N ATOM 849 CA GLY A 52 -2.638 -6.338 -12.243 1.00 0.00 C ATOM 850 C GLY A 52 -2.649 -6.592 -10.735 1.00 0.00 C ATOM 851 O GLY A 52 -3.195 -5.816 -9.973 1.00 0.00 O ATOM 0 H GLY A 52 -0.778 -5.906 -13.201 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.568 -5.858 -12.548 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.576 -7.284 -12.781 1.00 0.00 H new ATOM 855 N ASP A 53 -2.016 -7.650 -10.298 1.00 0.00 N ATOM 856 CA ASP A 53 -1.944 -7.938 -8.835 1.00 0.00 C ATOM 857 C ASP A 53 -0.645 -8.678 -8.504 1.00 0.00 C ATOM 858 O ASP A 53 0.281 -8.110 -7.959 1.00 0.00 O ATOM 859 CB ASP A 53 -3.157 -8.823 -8.546 1.00 0.00 C ATOM 860 CG ASP A 53 -4.437 -7.994 -8.671 1.00 0.00 C ATOM 861 OD1 ASP A 53 -4.826 -7.389 -7.685 1.00 0.00 O ATOM 862 OD2 ASP A 53 -5.005 -7.977 -9.751 1.00 0.00 O ATOM 0 H ASP A 53 -1.544 -8.330 -10.895 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.951 -7.029 -8.234 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.184 -9.660 -9.244 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.081 -9.246 -7.544 1.00 0.00 H new ATOM 867 N ALA A 54 -0.558 -9.937 -8.867 1.00 0.00 N ATOM 868 CA ALA A 54 0.697 -10.724 -8.622 1.00 0.00 C ATOM 869 C ALA A 54 1.120 -10.631 -7.150 1.00 0.00 C ATOM 870 O ALA A 54 1.777 -9.691 -6.744 1.00 0.00 O ATOM 871 CB ALA A 54 1.758 -10.091 -9.526 1.00 0.00 C ATOM 0 H ALA A 54 -1.306 -10.457 -9.325 1.00 0.00 H new ATOM 0 HA ALA A 54 0.556 -11.783 -8.840 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.704 -10.617 -9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.440 -10.163 -10.566 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.886 -9.043 -9.257 1.00 0.00 H new ATOM 877 N THR A 55 0.779 -11.620 -6.363 1.00 0.00 N ATOM 878 CA THR A 55 1.194 -11.619 -4.928 1.00 0.00 C ATOM 879 C THR A 55 2.379 -12.565 -4.718 1.00 0.00 C ATOM 880 O THR A 55 2.585 -13.083 -3.637 1.00 0.00 O ATOM 881 CB THR A 55 -0.032 -12.116 -4.160 1.00 0.00 C ATOM 882 OG1 THR A 55 -0.399 -13.403 -4.639 1.00 0.00 O ATOM 883 CG2 THR A 55 -1.193 -11.142 -4.364 1.00 0.00 C ATOM 0 H THR A 55 0.230 -12.429 -6.653 1.00 0.00 H new ATOM 0 HA THR A 55 1.513 -10.632 -4.592 1.00 0.00 H new ATOM 0 HB THR A 55 0.204 -12.178 -3.098 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.183 -13.724 -4.147 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.066 -11.497 -3.816 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.910 -10.156 -3.996 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.432 -11.078 -5.426 1.00 0.00 H new ATOM 891 N GLU A 56 3.185 -12.755 -5.732 1.00 0.00 N ATOM 892 CA GLU A 56 4.391 -13.623 -5.586 1.00 0.00 C ATOM 893 C GLU A 56 5.536 -12.835 -4.942 1.00 0.00 C ATOM 894 O GLU A 56 6.366 -13.389 -4.245 1.00 0.00 O ATOM 895 CB GLU A 56 4.759 -14.035 -7.012 1.00 0.00 C ATOM 896 CG GLU A 56 5.267 -15.478 -7.012 1.00 0.00 C ATOM 897 CD GLU A 56 5.209 -16.040 -8.434 1.00 0.00 C ATOM 898 OE1 GLU A 56 4.150 -16.509 -8.821 1.00 0.00 O ATOM 899 OE2 GLU A 56 6.223 -15.994 -9.110 1.00 0.00 O ATOM 0 H GLU A 56 3.059 -12.345 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 56 4.202 -14.487 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.890 -13.944 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.525 -13.369 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.290 -15.515 -6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.660 -16.088 -6.343 1.00 0.00 H new ATOM 906 N ASN A 57 5.558 -11.540 -5.137 1.00 0.00 N ATOM 907 CA ASN A 57 6.616 -10.699 -4.502 1.00 0.00 C ATOM 908 C ASN A 57 6.209 -9.222 -4.535 1.00 0.00 C ATOM 909 O ASN A 57 5.646 -8.746 -5.502 1.00 0.00 O ATOM 910 CB ASN A 57 7.878 -10.936 -5.341 1.00 0.00 C ATOM 911 CG ASN A 57 7.633 -10.533 -6.801 1.00 0.00 C ATOM 912 OD1 ASN A 57 6.506 -10.336 -7.212 1.00 0.00 O ATOM 913 ND2 ASN A 57 8.650 -10.401 -7.606 1.00 0.00 N ATOM 0 H ASN A 57 4.887 -11.029 -5.710 1.00 0.00 H new ATOM 0 HA ASN A 57 6.775 -10.958 -3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.708 -10.359 -4.932 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.164 -11.987 -5.290 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.499 -10.133 -8.579 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.596 -10.566 -7.263 1.00 0.00 H new ATOM 920 N PHE A 58 6.521 -8.489 -3.495 1.00 0.00 N ATOM 921 CA PHE A 58 6.190 -7.032 -3.473 1.00 0.00 C ATOM 922 C PHE A 58 7.472 -6.200 -3.559 1.00 0.00 C ATOM 923 O PHE A 58 7.480 -5.115 -4.109 1.00 0.00 O ATOM 924 CB PHE A 58 5.486 -6.800 -2.132 1.00 0.00 C ATOM 925 CG PHE A 58 4.234 -7.646 -2.054 1.00 0.00 C ATOM 926 CD1 PHE A 58 3.284 -7.593 -3.081 1.00 0.00 C ATOM 927 CD2 PHE A 58 4.026 -8.482 -0.951 1.00 0.00 C ATOM 928 CE1 PHE A 58 2.127 -8.378 -3.006 1.00 0.00 C ATOM 929 CE2 PHE A 58 2.869 -9.267 -0.875 1.00 0.00 C ATOM 930 CZ PHE A 58 1.919 -9.215 -1.902 1.00 0.00 C ATOM 0 H PHE A 58 6.991 -8.838 -2.660 1.00 0.00 H new ATOM 0 HA PHE A 58 5.563 -6.739 -4.315 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.157 -7.052 -1.311 1.00 0.00 H new ATOM 0 HB3 PHE A 58 5.230 -5.746 -2.023 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.444 -6.946 -3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.758 -8.522 -0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.395 -8.338 -3.799 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.709 -9.913 -0.024 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.026 -9.820 -1.843 1.00 0.00 H new ATOM 940 N GLU A 59 8.563 -6.725 -3.062 1.00 0.00 N ATOM 941 CA GLU A 59 9.864 -5.998 -3.156 1.00 0.00 C ATOM 942 C GLU A 59 11.015 -6.997 -3.329 1.00 0.00 C ATOM 943 O GLU A 59 11.843 -7.160 -2.451 1.00 0.00 O ATOM 944 CB GLU A 59 9.996 -5.232 -1.834 1.00 0.00 C ATOM 945 CG GLU A 59 9.978 -6.208 -0.652 1.00 0.00 C ATOM 946 CD GLU A 59 9.288 -5.550 0.544 1.00 0.00 C ATOM 947 OE1 GLU A 59 9.945 -4.794 1.239 1.00 0.00 O ATOM 948 OE2 GLU A 59 8.113 -5.814 0.745 1.00 0.00 O ATOM 0 H GLU A 59 8.608 -7.630 -2.593 1.00 0.00 H new ATOM 0 HA GLU A 59 9.901 -5.325 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.924 -4.660 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.179 -4.517 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.454 -7.122 -0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.996 -6.493 -0.386 1.00 0.00 H new ATOM 955 N ASP A 60 11.080 -7.647 -4.463 1.00 0.00 N ATOM 956 CA ASP A 60 12.186 -8.620 -4.713 1.00 0.00 C ATOM 957 C ASP A 60 13.467 -7.881 -5.110 1.00 0.00 C ATOM 958 O ASP A 60 13.707 -7.620 -6.273 1.00 0.00 O ATOM 959 CB ASP A 60 11.693 -9.495 -5.867 1.00 0.00 C ATOM 960 CG ASP A 60 12.719 -10.593 -6.150 1.00 0.00 C ATOM 961 OD1 ASP A 60 13.814 -10.261 -6.575 1.00 0.00 O ATOM 962 OD2 ASP A 60 12.394 -11.750 -5.936 1.00 0.00 O ATOM 0 H ASP A 60 10.413 -7.546 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 60 12.423 -9.209 -3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.730 -9.939 -5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.540 -8.887 -6.759 1.00 0.00 H new ATOM 967 N VAL A 61 14.310 -7.586 -4.153 1.00 0.00 N ATOM 968 CA VAL A 61 15.605 -6.912 -4.468 1.00 0.00 C ATOM 969 C VAL A 61 16.532 -6.951 -3.246 1.00 0.00 C ATOM 970 O VAL A 61 16.172 -6.509 -2.170 1.00 0.00 O ATOM 971 CB VAL A 61 15.226 -5.469 -4.829 1.00 0.00 C ATOM 972 CG1 VAL A 61 14.521 -4.798 -3.645 1.00 0.00 C ATOM 973 CG2 VAL A 61 16.490 -4.680 -5.183 1.00 0.00 C ATOM 0 H VAL A 61 14.156 -7.784 -3.164 1.00 0.00 H new ATOM 0 HA VAL A 61 16.142 -7.400 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 61 14.551 -5.483 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.256 -3.775 -3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.617 -5.354 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.188 -4.787 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 61 16.220 -3.656 -5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 61 17.166 -4.674 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.985 -5.148 -6.034 1.00 0.00 H new ATOM 983 N GLY A 62 17.730 -7.450 -3.416 1.00 0.00 N ATOM 984 CA GLY A 62 18.700 -7.488 -2.281 1.00 0.00 C ATOM 985 C GLY A 62 19.015 -6.061 -1.826 1.00 0.00 C ATOM 986 O GLY A 62 19.778 -5.355 -2.457 1.00 0.00 O ATOM 0 H GLY A 62 18.079 -7.834 -4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 62 18.283 -8.061 -1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 62 19.616 -7.993 -2.589 1.00 0.00 H new ATOM 990 N HIS A 63 18.459 -5.649 -0.714 1.00 0.00 N ATOM 991 CA HIS A 63 18.752 -4.284 -0.185 1.00 0.00 C ATOM 992 C HIS A 63 18.225 -4.145 1.246 1.00 0.00 C ATOM 993 O HIS A 63 17.684 -3.121 1.620 1.00 0.00 O ATOM 994 CB HIS A 63 18.010 -3.328 -1.122 1.00 0.00 C ATOM 995 CG HIS A 63 18.561 -1.936 -0.963 1.00 0.00 C ATOM 996 ND1 HIS A 63 19.144 -1.498 0.216 1.00 0.00 N ATOM 997 CD2 HIS A 63 18.622 -0.872 -1.828 1.00 0.00 C ATOM 998 CE1 HIS A 63 19.526 -0.222 0.030 1.00 0.00 C ATOM 999 NE2 HIS A 63 19.232 0.209 -1.199 1.00 0.00 N ATOM 0 H HIS A 63 17.814 -6.201 -0.149 1.00 0.00 H new ATOM 0 HA HIS A 63 19.822 -4.077 -0.152 1.00 0.00 H new ATOM 0 HB2 HIS A 63 18.119 -3.657 -2.155 1.00 0.00 H new ATOM 0 HB3 HIS A 63 16.944 -3.336 -0.896 1.00 0.00 H new ATOM 0 HD1 HIS A 63 19.262 -2.044 1.069 1.00 0.00 H new ATOM 0 HD2 HIS A 63 18.253 -0.874 -2.843 1.00 0.00 H new ATOM 0 HE1 HIS A 63 20.012 0.381 0.783 1.00 0.00 H new ATOM 1007 N SER A 64 18.415 -5.154 2.059 1.00 0.00 N ATOM 1008 CA SER A 64 17.968 -5.073 3.482 1.00 0.00 C ATOM 1009 C SER A 64 18.553 -6.236 4.287 1.00 0.00 C ATOM 1010 O SER A 64 17.972 -6.681 5.257 1.00 0.00 O ATOM 1011 CB SER A 64 16.444 -5.172 3.426 1.00 0.00 C ATOM 1012 OG SER A 64 15.902 -4.787 4.682 1.00 0.00 O ATOM 0 H SER A 64 18.862 -6.033 1.797 1.00 0.00 H new ATOM 0 HA SER A 64 18.298 -4.154 3.966 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.055 -4.529 2.637 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.143 -6.191 3.184 1.00 0.00 H new ATOM 0 HG SER A 64 16.359 -5.275 5.399 1.00 0.00 H new ATOM 1018 N THR A 65 19.730 -6.688 3.925 1.00 0.00 N ATOM 1019 CA THR A 65 20.413 -7.784 4.695 1.00 0.00 C ATOM 1020 C THR A 65 19.460 -8.967 4.935 1.00 0.00 C ATOM 1021 O THR A 65 18.684 -8.969 5.868 1.00 0.00 O ATOM 1022 CB THR A 65 20.862 -7.168 6.042 1.00 0.00 C ATOM 1023 OG1 THR A 65 20.500 -5.792 6.120 1.00 0.00 O ATOM 1024 CG2 THR A 65 22.380 -7.291 6.176 1.00 0.00 C ATOM 0 H THR A 65 20.254 -6.343 3.121 1.00 0.00 H new ATOM 0 HA THR A 65 21.264 -8.173 4.136 1.00 0.00 H new ATOM 0 HB THR A 65 20.365 -7.708 6.848 1.00 0.00 H new ATOM 0 HG1 THR A 65 20.792 -5.425 6.980 1.00 0.00 H new ATOM 0 HG21 THR A 65 22.698 -6.858 7.124 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.664 -8.343 6.145 1.00 0.00 H new ATOM 0 HG23 THR A 65 22.862 -6.760 5.355 1.00 0.00 H new ATOM 1032 N ASP A 66 19.566 -9.997 4.128 1.00 0.00 N ATOM 1033 CA ASP A 66 18.722 -11.227 4.315 1.00 0.00 C ATOM 1034 C ASP A 66 17.229 -10.881 4.211 1.00 0.00 C ATOM 1035 O ASP A 66 16.625 -11.040 3.166 1.00 0.00 O ATOM 1036 CB ASP A 66 19.067 -11.778 5.712 1.00 0.00 C ATOM 1037 CG ASP A 66 19.840 -13.093 5.577 1.00 0.00 C ATOM 1038 OD1 ASP A 66 20.830 -13.104 4.863 1.00 0.00 O ATOM 1039 OD2 ASP A 66 19.431 -14.065 6.190 1.00 0.00 O ATOM 0 H ASP A 66 20.209 -10.040 3.337 1.00 0.00 H new ATOM 0 HA ASP A 66 18.924 -11.969 3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.663 -11.050 6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.154 -11.940 6.284 1.00 0.00 H new ATOM 1044 N ALA A 67 16.636 -10.382 5.270 1.00 0.00 N ATOM 1045 CA ALA A 67 15.189 -9.994 5.216 1.00 0.00 C ATOM 1046 C ALA A 67 14.958 -8.953 4.115 1.00 0.00 C ATOM 1047 O ALA A 67 15.892 -8.384 3.583 1.00 0.00 O ATOM 1048 CB ALA A 67 14.880 -9.396 6.589 1.00 0.00 C ATOM 0 H ALA A 67 17.091 -10.226 6.170 1.00 0.00 H new ATOM 0 HA ALA A 67 14.547 -10.845 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 67 13.835 -9.088 6.625 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.065 -10.143 7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 67 15.520 -8.530 6.761 1.00 0.00 H new ATOM 1054 N ARG A 68 13.717 -8.683 3.794 1.00 0.00 N ATOM 1055 CA ARG A 68 13.413 -7.654 2.754 1.00 0.00 C ATOM 1056 C ARG A 68 11.920 -7.312 2.763 1.00 0.00 C ATOM 1057 O ARG A 68 11.541 -6.162 2.654 1.00 0.00 O ATOM 1058 CB ARG A 68 13.805 -8.304 1.426 1.00 0.00 C ATOM 1059 CG ARG A 68 13.791 -7.251 0.315 1.00 0.00 C ATOM 1060 CD ARG A 68 15.032 -6.363 0.438 1.00 0.00 C ATOM 1061 NE ARG A 68 14.752 -5.182 -0.435 1.00 0.00 N ATOM 1062 CZ ARG A 68 13.844 -4.283 -0.106 1.00 0.00 C ATOM 1063 NH1 ARG A 68 13.163 -4.371 1.014 1.00 0.00 N ATOM 1064 NH2 ARG A 68 13.617 -3.280 -0.910 1.00 0.00 N ATOM 0 H ARG A 68 12.900 -9.132 4.209 1.00 0.00 H new ATOM 0 HA ARG A 68 13.952 -6.723 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.797 -8.749 1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.112 -9.110 1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.773 -7.737 -0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.888 -6.644 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.199 -6.059 1.471 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.928 -6.891 0.112 1.00 0.00 H new ATOM 0 HE ARG A 68 15.274 -5.069 -1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.331 -5.148 1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.467 -3.662 1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.139 -3.197 -1.782 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.917 -2.579 -0.666 1.00 0.00 H new ATOM 1078 N GLU A 69 11.076 -8.299 2.927 1.00 0.00 N ATOM 1079 CA GLU A 69 9.606 -8.033 2.984 1.00 0.00 C ATOM 1080 C GLU A 69 9.262 -7.234 4.245 1.00 0.00 C ATOM 1081 O GLU A 69 8.771 -7.775 5.219 1.00 0.00 O ATOM 1082 CB GLU A 69 8.945 -9.413 3.027 1.00 0.00 C ATOM 1083 CG GLU A 69 9.080 -10.086 1.660 1.00 0.00 C ATOM 1084 CD GLU A 69 8.867 -11.594 1.808 1.00 0.00 C ATOM 1085 OE1 GLU A 69 7.973 -11.976 2.545 1.00 0.00 O ATOM 1086 OE2 GLU A 69 9.602 -12.341 1.183 1.00 0.00 O ATOM 0 H GLU A 69 11.342 -9.279 3.024 1.00 0.00 H new ATOM 0 HA GLU A 69 9.263 -7.448 2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.413 -10.029 3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.893 -9.316 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.349 -9.672 0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.066 -9.887 1.241 1.00 0.00 H new ATOM 1093 N LEU A 70 9.482 -5.942 4.217 1.00 0.00 N ATOM 1094 CA LEU A 70 9.133 -5.089 5.395 1.00 0.00 C ATOM 1095 C LEU A 70 7.703 -4.538 5.273 1.00 0.00 C ATOM 1096 O LEU A 70 7.366 -3.546 5.891 1.00 0.00 O ATOM 1097 CB LEU A 70 10.160 -3.948 5.381 1.00 0.00 C ATOM 1098 CG LEU A 70 10.037 -3.134 4.078 1.00 0.00 C ATOM 1099 CD1 LEU A 70 9.537 -1.722 4.393 1.00 0.00 C ATOM 1100 CD2 LEU A 70 11.406 -3.039 3.397 1.00 0.00 C ATOM 0 H LEU A 70 9.889 -5.441 3.427 1.00 0.00 H new ATOM 0 HA LEU A 70 9.163 -5.654 6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.002 -3.297 6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.167 -4.355 5.470 1.00 0.00 H new ATOM 0 HG LEU A 70 9.330 -3.633 3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.452 -1.151 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.561 -1.781 4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.242 -1.227 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.315 -2.463 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.112 -2.546 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.767 -4.041 3.164 1.00 0.00 H new ATOM 1112 N SER A 71 6.855 -5.192 4.517 1.00 0.00 N ATOM 1113 CA SER A 71 5.438 -4.726 4.399 1.00 0.00 C ATOM 1114 C SER A 71 4.698 -4.952 5.723 1.00 0.00 C ATOM 1115 O SER A 71 3.856 -5.824 5.833 1.00 0.00 O ATOM 1116 CB SER A 71 4.823 -5.578 3.286 1.00 0.00 C ATOM 1117 OG SER A 71 5.191 -6.938 3.479 1.00 0.00 O ATOM 0 H SER A 71 7.082 -6.027 3.977 1.00 0.00 H new ATOM 0 HA SER A 71 5.372 -3.662 4.174 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.738 -5.478 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.169 -5.230 2.313 1.00 0.00 H new ATOM 0 HG SER A 71 4.836 -7.255 4.336 1.00 0.00 H new ATOM 1123 N LYS A 72 4.983 -4.146 6.714 1.00 0.00 N ATOM 1124 CA LYS A 72 4.274 -4.278 8.023 1.00 0.00 C ATOM 1125 C LYS A 72 4.549 -3.056 8.903 1.00 0.00 C ATOM 1126 O LYS A 72 3.642 -2.475 9.471 1.00 0.00 O ATOM 1127 CB LYS A 72 4.853 -5.541 8.661 1.00 0.00 C ATOM 1128 CG LYS A 72 3.811 -6.169 9.588 1.00 0.00 C ATOM 1129 CD LYS A 72 4.070 -7.672 9.705 1.00 0.00 C ATOM 1130 CE LYS A 72 2.773 -8.385 10.095 1.00 0.00 C ATOM 1131 NZ LYS A 72 3.115 -9.834 10.092 1.00 0.00 N ATOM 0 H LYS A 72 5.678 -3.400 6.673 1.00 0.00 H new ATOM 0 HA LYS A 72 3.193 -4.341 7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.142 -6.252 7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.755 -5.297 9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.858 -5.704 10.573 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.809 -5.991 9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.441 -8.063 8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.841 -7.862 10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.425 -8.063 11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.974 -8.166 9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.275 -10.390 10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.436 -10.113 9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.874 -10.013 10.781 1.00 0.00 H new ATOM 1145 N THR A 73 5.788 -2.642 8.991 1.00 0.00 N ATOM 1146 CA THR A 73 6.124 -1.431 9.800 1.00 0.00 C ATOM 1147 C THR A 73 6.145 -0.176 8.915 1.00 0.00 C ATOM 1148 O THR A 73 6.695 0.842 9.291 1.00 0.00 O ATOM 1149 CB THR A 73 7.517 -1.709 10.366 1.00 0.00 C ATOM 1150 OG1 THR A 73 8.421 -1.952 9.295 1.00 0.00 O ATOM 1151 CG2 THR A 73 7.464 -2.935 11.279 1.00 0.00 C ATOM 0 H THR A 73 6.583 -3.091 8.536 1.00 0.00 H new ATOM 0 HA THR A 73 5.390 -1.247 10.584 1.00 0.00 H new ATOM 0 HB THR A 73 7.855 -0.846 10.940 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.521 -1.137 8.760 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.458 -3.132 11.682 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.771 -2.748 12.099 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.126 -3.800 10.708 1.00 0.00 H new ATOM 1159 N TYR A 74 5.505 -0.225 7.772 1.00 0.00 N ATOM 1160 CA TYR A 74 5.435 0.981 6.893 1.00 0.00 C ATOM 1161 C TYR A 74 4.000 1.181 6.395 1.00 0.00 C ATOM 1162 O TYR A 74 3.775 1.716 5.325 1.00 0.00 O ATOM 1163 CB TYR A 74 6.366 0.670 5.716 1.00 0.00 C ATOM 1164 CG TYR A 74 7.805 0.720 6.173 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.347 -0.348 6.897 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.599 1.831 5.867 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.682 -0.304 7.318 1.00 0.00 C ATOM 1168 CE2 TYR A 74 9.934 1.875 6.287 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.475 0.808 7.012 1.00 0.00 C ATOM 1170 OH TYR A 74 11.790 0.851 7.426 1.00 0.00 O ATOM 0 H TYR A 74 5.028 -1.051 7.410 1.00 0.00 H new ATOM 0 HA TYR A 74 5.727 1.892 7.416 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.138 -0.316 5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.205 1.390 4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.735 -1.207 7.131 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.182 2.655 5.307 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.099 -1.128 7.878 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.546 2.733 6.051 1.00 0.00 H new ATOM 0 HH TYR A 74 12.199 1.691 7.130 1.00 0.00 H new ATOM 1180 N ILE A 75 3.030 0.740 7.158 1.00 0.00 N ATOM 1181 CA ILE A 75 1.607 0.886 6.725 1.00 0.00 C ATOM 1182 C ILE A 75 0.886 1.924 7.591 1.00 0.00 C ATOM 1183 O ILE A 75 1.337 2.273 8.665 1.00 0.00 O ATOM 1184 CB ILE A 75 0.981 -0.500 6.912 1.00 0.00 C ATOM 1185 CG1 ILE A 75 1.760 -1.535 6.095 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.470 -0.475 6.426 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.307 -2.943 6.487 1.00 0.00 C ATOM 0 H ILE A 75 3.163 0.286 8.061 1.00 0.00 H new ATOM 0 HA ILE A 75 1.530 1.229 5.693 1.00 0.00 H new ATOM 0 HB ILE A 75 1.015 -0.766 7.968 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.595 -1.372 5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.830 -1.423 6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.915 -1.461 6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.034 0.259 7.002 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.496 -0.205 5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.862 -3.679 5.905 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.495 -3.103 7.549 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.241 -3.051 6.287 1.00 0.00 H new ATOM 1199 N ILE A 76 -0.247 2.393 7.136 1.00 0.00 N ATOM 1200 CA ILE A 76 -1.034 3.385 7.935 1.00 0.00 C ATOM 1201 C ILE A 76 -2.466 2.885 8.164 1.00 0.00 C ATOM 1202 O ILE A 76 -3.033 3.084 9.222 1.00 0.00 O ATOM 1203 CB ILE A 76 -1.032 4.674 7.103 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.585 4.398 5.694 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.400 5.201 6.998 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.651 5.700 4.891 1.00 0.00 C ATOM 0 H ILE A 76 -0.664 2.132 6.243 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.601 3.543 8.923 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.665 5.416 7.589 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.950 3.676 5.180 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.578 3.954 5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.408 6.117 6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.785 5.409 7.996 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.029 4.453 6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.044 5.494 3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.305 6.408 5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.651 6.126 4.806 1.00 0.00 H new ATOM 1218 N GLY A 77 -3.039 2.204 7.202 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.414 1.653 7.386 1.00 0.00 C ATOM 1220 C GLY A 77 -4.910 1.046 6.072 1.00 0.00 C ATOM 1221 O GLY A 77 -4.156 0.895 5.129 1.00 0.00 O ATOM 0 H GLY A 77 -2.612 2.007 6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.410 0.894 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.092 2.443 7.711 1.00 0.00 H new ATOM 1225 N GLU A 78 -6.181 0.744 5.992 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.744 0.197 4.721 1.00 0.00 C ATOM 1227 C GLU A 78 -7.722 1.200 4.102 1.00 0.00 C ATOM 1228 O GLU A 78 -8.350 1.973 4.801 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.481 -1.082 5.117 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.486 -2.240 5.220 1.00 0.00 C ATOM 1231 CD GLU A 78 -7.053 -3.322 6.140 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -8.258 -3.512 6.127 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -6.272 -3.944 6.842 1.00 0.00 O ATOM 0 H GLU A 78 -6.853 0.853 6.752 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.966 0.004 3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.989 -0.940 6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.249 -1.314 4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.291 -2.655 4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.533 -1.881 5.608 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.889 1.159 2.805 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.868 2.074 2.142 1.00 0.00 C ATOM 1242 C LEU A 79 -10.304 1.600 2.398 1.00 0.00 C ATOM 1243 O LEU A 79 -10.527 0.566 2.999 1.00 0.00 O ATOM 1244 CB LEU A 79 -8.525 2.025 0.645 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.738 0.611 0.090 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -10.140 0.501 -0.514 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -7.692 0.329 -0.992 1.00 0.00 C ATOM 0 H LEU A 79 -7.389 0.531 2.175 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.806 3.091 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -9.149 2.734 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.489 2.329 0.493 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.635 -0.115 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.289 -0.505 -0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.885 0.703 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.246 1.226 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.840 -0.675 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.796 1.056 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.694 0.405 -0.561 1.00 0.00 H new ATOM 1259 N HIS A 80 -11.276 2.334 1.914 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.699 1.914 2.090 1.00 0.00 C ATOM 1261 C HIS A 80 -13.058 0.818 1.067 1.00 0.00 C ATOM 1262 O HIS A 80 -12.806 0.983 -0.109 1.00 0.00 O ATOM 1263 CB HIS A 80 -13.521 3.178 1.827 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.809 3.106 2.599 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.931 2.458 2.107 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -15.170 3.598 3.830 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.904 2.574 3.029 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -16.493 3.260 4.099 1.00 0.00 N ATOM 0 H HIS A 80 -11.144 3.207 1.404 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.889 1.502 3.081 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.955 4.061 2.124 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.728 3.275 0.761 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.525 4.161 4.489 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.896 2.163 2.918 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.033 3.487 4.934 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.636 -0.274 1.537 1.00 0.00 N ATOM 1277 CA PRO A 81 -14.013 -1.389 0.621 1.00 0.00 C ATOM 1278 C PRO A 81 -14.847 -0.884 -0.566 1.00 0.00 C ATOM 1279 O PRO A 81 -14.875 -1.495 -1.616 1.00 0.00 O ATOM 1280 CB PRO A 81 -14.846 -2.316 1.502 1.00 0.00 C ATOM 1281 CG PRO A 81 -14.392 -2.033 2.896 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.991 -0.583 2.935 1.00 0.00 C ATOM 0 HA PRO A 81 -13.142 -1.878 0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.912 -2.119 1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -14.685 -3.361 1.239 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.190 -2.233 3.611 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.553 -2.674 3.167 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.807 0.048 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.148 -0.420 3.606 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.515 0.235 -0.408 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.342 0.795 -1.530 1.00 0.00 C ATOM 1292 C ASP A 82 -15.524 0.890 -2.826 1.00 0.00 C ATOM 1293 O ASP A 82 -16.057 0.773 -3.914 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.755 2.193 -1.062 1.00 0.00 C ATOM 1295 CG ASP A 82 -17.746 2.794 -2.061 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -17.350 3.027 -3.190 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -18.885 3.011 -1.678 1.00 0.00 O ATOM 0 H ASP A 82 -15.524 0.787 0.450 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.200 0.160 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.209 2.137 -0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.877 2.833 -0.975 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.230 1.055 -2.714 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.367 1.105 -3.931 1.00 0.00 C ATOM 1304 C ASP A 83 -12.364 -0.061 -3.945 1.00 0.00 C ATOM 1305 O ASP A 83 -11.739 -0.329 -4.953 1.00 0.00 O ATOM 1306 CB ASP A 83 -12.630 2.441 -3.836 1.00 0.00 C ATOM 1307 CG ASP A 83 -13.642 3.587 -3.888 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -14.581 3.488 -4.662 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -13.463 4.544 -3.153 1.00 0.00 O ATOM 0 H ASP A 83 -13.734 1.157 -1.829 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.953 1.018 -4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.059 2.488 -2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.917 2.534 -4.655 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.219 -0.765 -2.845 1.00 0.00 N ATOM 1315 CA ARG A 84 -11.273 -1.924 -2.814 1.00 0.00 C ATOM 1316 C ARG A 84 -11.693 -2.986 -3.835 1.00 0.00 C ATOM 1317 O ARG A 84 -10.984 -3.251 -4.789 1.00 0.00 O ATOM 1318 CB ARG A 84 -11.359 -2.481 -1.390 1.00 0.00 C ATOM 1319 CG ARG A 84 -10.125 -3.340 -1.100 1.00 0.00 C ATOM 1320 CD ARG A 84 -10.406 -4.794 -1.488 1.00 0.00 C ATOM 1321 NE ARG A 84 -11.546 -5.216 -0.617 1.00 0.00 N ATOM 1322 CZ ARG A 84 -11.362 -5.540 0.647 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -10.179 -5.465 1.212 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -12.380 -5.944 1.355 1.00 0.00 N ATOM 0 H ARG A 84 -12.714 -0.586 -1.971 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.256 -1.626 -3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -11.423 -1.663 -0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -12.265 -3.077 -1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.268 -2.963 -1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.868 -3.279 -0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.664 -4.877 -2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.531 -5.422 -1.324 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.487 -5.254 -1.010 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.374 -5.150 0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.065 -5.722 2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.305 -6.006 0.929 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.251 -6.198 2.334 1.00 0.00 H new ATOM 1338 N SER A 85 -12.845 -3.584 -3.652 1.00 0.00 N ATOM 1339 CA SER A 85 -13.319 -4.617 -4.621 1.00 0.00 C ATOM 1340 C SER A 85 -14.152 -3.961 -5.739 1.00 0.00 C ATOM 1341 O SER A 85 -13.605 -3.485 -6.717 1.00 0.00 O ATOM 1342 CB SER A 85 -14.148 -5.596 -3.785 1.00 0.00 C ATOM 1343 OG SER A 85 -14.769 -6.541 -4.647 1.00 0.00 O ATOM 0 H SER A 85 -13.477 -3.400 -2.873 1.00 0.00 H new ATOM 0 HA SER A 85 -12.499 -5.130 -5.124 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.510 -6.108 -3.065 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.903 -5.056 -3.214 1.00 0.00 H new ATOM 0 HG SER A 85 -15.299 -7.170 -4.115 1.00 0.00 H new ATOM 1349 N LYS A 86 -15.463 -3.888 -5.596 1.00 0.00 N ATOM 1350 CA LYS A 86 -16.305 -3.215 -6.639 1.00 0.00 C ATOM 1351 C LYS A 86 -17.770 -3.167 -6.185 1.00 0.00 C ATOM 1352 O LYS A 86 -18.656 -3.655 -6.863 1.00 0.00 O ATOM 1353 CB LYS A 86 -16.169 -4.074 -7.903 1.00 0.00 C ATOM 1354 CG LYS A 86 -16.274 -3.180 -9.141 1.00 0.00 C ATOM 1355 CD LYS A 86 -15.015 -2.317 -9.256 1.00 0.00 C ATOM 1356 CE LYS A 86 -15.385 -0.942 -9.818 1.00 0.00 C ATOM 1357 NZ LYS A 86 -16.012 -0.218 -8.677 1.00 0.00 N ATOM 0 H LYS A 86 -15.981 -4.266 -4.802 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.985 -2.188 -6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.213 -4.597 -7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.949 -4.835 -7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.391 -3.792 -10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.157 -2.546 -9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.546 -2.207 -8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.287 -2.803 -9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.504 -0.415 -10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.075 -1.031 -10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.031 0.802 -8.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.984 -0.562 -8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.460 -0.388 -7.812 1.00 0.00 H new ATOM 1371 N ILE A 87 -18.035 -2.544 -5.064 1.00 0.00 N ATOM 1372 CA ILE A 87 -19.446 -2.417 -4.586 1.00 0.00 C ATOM 1373 C ILE A 87 -20.163 -1.276 -5.325 1.00 0.00 C ATOM 1374 O ILE A 87 -21.377 -1.249 -5.398 1.00 0.00 O ATOM 1375 CB ILE A 87 -19.335 -2.113 -3.087 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -18.617 -3.272 -2.382 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -20.734 -1.944 -2.487 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -17.139 -2.927 -2.198 1.00 0.00 C ATOM 0 H ILE A 87 -17.334 -2.117 -4.458 1.00 0.00 H new ATOM 0 HA ILE A 87 -20.026 -3.321 -4.773 1.00 0.00 H new ATOM 0 HB ILE A 87 -18.769 -1.192 -2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -19.079 -3.463 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.717 -4.185 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -20.649 -1.728 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -21.246 -1.121 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -21.303 -2.863 -2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -16.632 -3.752 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -16.681 -2.758 -3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -17.049 -2.025 -1.593 1.00 0.00 H new ATOM 1390 N ALA A 88 -19.423 -0.358 -5.902 1.00 0.00 N ATOM 1391 CA ALA A 88 -20.067 0.750 -6.673 1.00 0.00 C ATOM 1392 C ALA A 88 -20.664 0.210 -7.977 1.00 0.00 C ATOM 1393 O ALA A 88 -20.213 0.533 -9.060 1.00 0.00 O ATOM 1394 CB ALA A 88 -18.939 1.743 -6.966 1.00 0.00 C ATOM 0 H ALA A 88 -18.404 -0.329 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.883 1.216 -6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -19.335 2.587 -7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -18.517 2.101 -6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.161 1.249 -7.549 1.00 0.00 H new ATOM 1400 N LYS A 89 -21.701 -0.583 -7.877 1.00 0.00 N ATOM 1401 CA LYS A 89 -22.367 -1.118 -9.103 1.00 0.00 C ATOM 1402 C LYS A 89 -23.841 -1.443 -8.802 1.00 0.00 C ATOM 1403 O LYS A 89 -24.134 -2.485 -8.251 1.00 0.00 O ATOM 1404 CB LYS A 89 -21.596 -2.397 -9.448 1.00 0.00 C ATOM 1405 CG LYS A 89 -20.663 -2.136 -10.633 1.00 0.00 C ATOM 1406 CD LYS A 89 -21.452 -2.257 -11.939 1.00 0.00 C ATOM 1407 CE LYS A 89 -20.544 -2.821 -13.034 1.00 0.00 C ATOM 1408 NZ LYS A 89 -21.409 -3.755 -13.807 1.00 0.00 N ATOM 0 H LYS A 89 -22.116 -0.884 -6.995 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.358 -0.403 -9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -21.019 -2.729 -8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.293 -3.198 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -20.224 -1.142 -10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -19.839 -2.850 -10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -22.315 -2.908 -11.796 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -21.835 -1.281 -12.237 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.153 -2.027 -13.670 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.686 -3.340 -12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.857 -4.183 -14.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.761 -4.504 -13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.214 -3.232 -14.207 1.00 0.00 H new ATOM 1422 N PRO A 90 -24.732 -0.542 -9.173 1.00 0.00 N ATOM 1423 CA PRO A 90 -26.187 -0.763 -8.925 1.00 0.00 C ATOM 1424 C PRO A 90 -26.638 -2.125 -9.469 1.00 0.00 C ATOM 1425 O PRO A 90 -25.882 -2.829 -10.110 1.00 0.00 O ATOM 1426 CB PRO A 90 -26.860 0.370 -9.694 1.00 0.00 C ATOM 1427 CG PRO A 90 -25.823 1.442 -9.788 1.00 0.00 C ATOM 1428 CD PRO A 90 -24.488 0.749 -9.841 1.00 0.00 C ATOM 0 HA PRO A 90 -26.435 -0.766 -7.864 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -27.179 0.041 -10.683 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -27.750 0.726 -9.174 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -25.977 2.053 -10.677 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -25.878 2.110 -8.929 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -24.151 0.610 -10.868 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -23.718 1.325 -9.328 1.00 0.00 H new ATOM 1436 N SER A 91 -27.881 -2.484 -9.243 1.00 0.00 N ATOM 1437 CA SER A 91 -28.418 -3.783 -9.771 1.00 0.00 C ATOM 1438 C SER A 91 -27.525 -4.954 -9.339 1.00 0.00 C ATOM 1439 O SER A 91 -26.516 -4.769 -8.686 1.00 0.00 O ATOM 1440 CB SER A 91 -28.416 -3.639 -11.295 1.00 0.00 C ATOM 1441 OG SER A 91 -28.914 -4.835 -11.879 1.00 0.00 O ATOM 0 H SER A 91 -28.552 -1.929 -8.712 1.00 0.00 H new ATOM 0 HA SER A 91 -29.416 -3.991 -9.386 1.00 0.00 H new ATOM 0 HB2 SER A 91 -29.033 -2.791 -11.593 1.00 0.00 H new ATOM 0 HB3 SER A 91 -27.406 -3.439 -11.652 1.00 0.00 H new ATOM 0 HG SER A 91 -28.916 -4.746 -12.855 1.00 0.00 H new ATOM 1447 N GLU A 92 -27.876 -6.157 -9.731 1.00 0.00 N ATOM 1448 CA GLU A 92 -27.038 -7.354 -9.387 1.00 0.00 C ATOM 1449 C GLU A 92 -26.765 -7.415 -7.879 1.00 0.00 C ATOM 1450 O GLU A 92 -25.851 -6.786 -7.380 1.00 0.00 O ATOM 1451 CB GLU A 92 -25.729 -7.173 -10.163 1.00 0.00 C ATOM 1452 CG GLU A 92 -25.811 -7.931 -11.490 1.00 0.00 C ATOM 1453 CD GLU A 92 -24.415 -8.410 -11.892 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -23.573 -7.566 -12.154 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -24.211 -9.611 -11.931 1.00 0.00 O ATOM 0 H GLU A 92 -28.712 -6.363 -10.278 1.00 0.00 H new ATOM 0 HA GLU A 92 -27.541 -8.284 -9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -25.547 -6.114 -10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -24.890 -7.542 -9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -26.485 -8.782 -11.394 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -26.222 -7.285 -12.265 1.00 0.00 H new ATOM 1462 N THR A 93 -27.527 -8.202 -7.162 1.00 0.00 N ATOM 1463 CA THR A 93 -27.290 -8.350 -5.694 1.00 0.00 C ATOM 1464 C THR A 93 -27.906 -9.657 -5.189 1.00 0.00 C ATOM 1465 O THR A 93 -28.484 -9.708 -4.119 1.00 0.00 O ATOM 1466 CB THR A 93 -27.986 -7.147 -5.056 1.00 0.00 C ATOM 1467 OG1 THR A 93 -27.490 -5.951 -5.641 1.00 0.00 O ATOM 1468 CG2 THR A 93 -27.711 -7.135 -3.551 1.00 0.00 C ATOM 0 H THR A 93 -28.305 -8.749 -7.531 1.00 0.00 H new ATOM 0 HA THR A 93 -26.229 -8.383 -5.448 1.00 0.00 H new ATOM 0 HB THR A 93 -29.061 -7.216 -5.225 1.00 0.00 H new ATOM 0 HG1 THR A 93 -26.622 -6.128 -6.061 1.00 0.00 H new ATOM 0 HG21 THR A 93 -28.207 -6.277 -3.097 1.00 0.00 H new ATOM 0 HG22 THR A 93 -28.092 -8.053 -3.104 1.00 0.00 H new ATOM 0 HG23 THR A 93 -26.637 -7.066 -3.378 1.00 0.00 H new ATOM 1476 N LEU A 94 -27.754 -10.721 -5.937 1.00 0.00 N ATOM 1477 CA LEU A 94 -28.291 -12.041 -5.490 1.00 0.00 C ATOM 1478 C LEU A 94 -27.730 -13.164 -6.367 1.00 0.00 C ATOM 1479 O LEU A 94 -28.049 -13.185 -7.544 1.00 0.00 O ATOM 1480 CB LEU A 94 -29.806 -11.932 -5.663 1.00 0.00 C ATOM 1481 CG LEU A 94 -30.503 -12.821 -4.632 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -30.807 -12.004 -3.376 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -31.811 -13.355 -5.221 1.00 0.00 C ATOM 1484 OXT LEU A 94 -26.991 -13.983 -5.846 1.00 0.00 O ATOM 0 H LEU A 94 -27.280 -10.732 -6.840 1.00 0.00 H new ATOM 0 HA LEU A 94 -28.014 -12.273 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -30.123 -10.896 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -30.090 -12.234 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 94 -29.852 -13.656 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -31.304 -12.638 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -29.876 -11.622 -2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -31.458 -11.169 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -32.309 -13.989 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -32.462 -12.519 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -31.596 -13.938 -6.117 1.00 0.00 H new TER 1496 LEU A 94