USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 738 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 ASN : amide:sc= -0.0209 K(o=0.022,f=-2.3) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -155:sc= 0.0429 (180deg=0) USER MOD Set 2.1: A 36 ASN : amide:sc= 0.304 K(o=0.74,f=-11!) USER MOD Set 2.2: A 41 SER OG : rot 35:sc= 0.919 USER MOD Set 2.3: A 61 HIS : no HE2:sc= -0.482 K(o=0.74,f=-0.27) USER MOD Set 3.1: A 24 CYS SG : rot 25:sc= 1.1 USER MOD Set 3.2: A 27 CYS SG : rot 127:sc= 2.21 USER MOD Set 3.3: A 44 CYS SG : rot -131:sc= -6.56! USER MOD Set 3.4: A 57 HIS : no HD1:sc= -5.69! C(o=-8.9!,f=-12!) USER MOD Set 4.1: A 4 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 87 GLN : amide:sc= -1.52! C(o=-1.5!,f=-6.5!) USER MOD Single : A 1 VAL N :NH3+ 144:sc= -0.0524 (180deg=-0.312) USER MOD Single : A 2 SER OG : rot 40:sc= 1.22 USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= -1.57! (180deg=-2.07!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.0426 X(o=0.043,f=-0.1) USER MOD Single : A 13 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.14) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0268) USER MOD Single : A 38 THR OG1 : rot -171:sc= 1.02 USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -75:sc= 1.89 USER MOD Single : A 77 THR OG1 : rot -23:sc= 0.762 USER MOD Single : A 84 TYR OH : rot -81:sc= 0.417 USER MOD Single : A 85 SER OG : rot 156:sc= 1.76 USER MOD Single : A 96 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.7!) USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= -0.0145 (180deg=-0.222) USER MOD Single : A 100 HIS : no HE2:sc= -0.0547 K(o=-0.055,f=-6.8!) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 MET CE :methyl 162:sc= -0.463 (180deg=-1.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.249 -7.921 -11.978 1.00 0.75 N ATOM 2 CA VAL A 1 -5.868 -8.136 -10.651 1.00 0.65 C ATOM 3 C VAL A 1 -4.982 -9.054 -9.807 1.00 0.73 C ATOM 4 O VAL A 1 -4.457 -10.045 -10.310 1.00 0.89 O ATOM 5 CB VAL A 1 -7.284 -8.748 -10.791 1.00 0.76 C ATOM 6 CG1 VAL A 1 -7.230 -10.049 -11.567 1.00 1.17 C ATOM 7 CG2 VAL A 1 -7.935 -8.961 -9.430 1.00 1.17 C ATOM 0 H1 VAL A 1 -5.993 -7.866 -12.703 1.00 0.75 H new ATOM 0 H2 VAL A 1 -4.708 -7.033 -11.969 1.00 0.75 H new ATOM 0 H3 VAL A 1 -4.611 -8.713 -12.196 1.00 0.75 H new ATOM 0 HA VAL A 1 -5.963 -7.169 -10.156 1.00 0.65 H new ATOM 0 HB VAL A 1 -7.898 -8.039 -11.346 1.00 0.76 H new ATOM 0 HG11 VAL A 1 -8.235 -10.463 -11.654 1.00 1.17 H new ATOM 0 HG12 VAL A 1 -6.827 -9.862 -12.562 1.00 1.17 H new ATOM 0 HG13 VAL A 1 -6.590 -10.759 -11.043 1.00 1.17 H new ATOM 0 HG21 VAL A 1 -8.927 -9.392 -9.565 1.00 1.17 H new ATOM 0 HG22 VAL A 1 -7.323 -9.639 -8.836 1.00 1.17 H new ATOM 0 HG23 VAL A 1 -8.021 -8.005 -8.914 1.00 1.17 H new ATOM 17 N SER A 2 -4.791 -8.708 -8.540 1.00 0.77 N ATOM 18 CA SER A 2 -3.997 -9.531 -7.640 1.00 1.05 C ATOM 19 C SER A 2 -4.739 -10.810 -7.293 1.00 0.74 C ATOM 20 O SER A 2 -5.913 -10.781 -6.915 1.00 0.74 O ATOM 21 CB SER A 2 -3.679 -8.764 -6.354 1.00 1.59 C ATOM 22 OG SER A 2 -2.938 -9.565 -5.447 1.00 2.17 O ATOM 0 H SER A 2 -5.175 -7.864 -8.114 1.00 0.77 H new ATOM 0 HA SER A 2 -3.066 -9.784 -8.147 1.00 1.05 H new ATOM 0 HB2 SER A 2 -3.113 -7.864 -6.595 1.00 1.59 H new ATOM 0 HB3 SER A 2 -4.607 -8.440 -5.882 1.00 1.59 H new ATOM 0 HG SER A 2 -2.272 -10.088 -5.941 1.00 2.17 H new ATOM 28 N LYS A 3 -4.052 -11.932 -7.424 1.00 1.00 N ATOM 29 CA LYS A 3 -4.612 -13.215 -7.041 1.00 1.20 C ATOM 30 C LYS A 3 -4.550 -13.364 -5.527 1.00 1.01 C ATOM 31 O LYS A 3 -5.293 -14.142 -4.929 1.00 1.21 O ATOM 32 CB LYS A 3 -3.857 -14.356 -7.722 1.00 1.77 C ATOM 33 CG LYS A 3 -3.817 -14.233 -9.234 1.00 2.09 C ATOM 34 CD LYS A 3 -3.236 -15.477 -9.891 1.00 2.48 C ATOM 35 CE LYS A 3 -4.299 -16.543 -10.136 1.00 2.97 C ATOM 36 NZ LYS A 3 -4.991 -16.968 -8.890 1.00 3.76 N ATOM 0 H LYS A 3 -3.103 -11.979 -7.794 1.00 1.00 H new ATOM 0 HA LYS A 3 -5.652 -13.260 -7.363 1.00 1.20 H new ATOM 0 HB2 LYS A 3 -2.837 -14.386 -7.340 1.00 1.77 H new ATOM 0 HB3 LYS A 3 -4.325 -15.303 -7.454 1.00 1.77 H new ATOM 0 HG2 LYS A 3 -4.825 -14.061 -9.611 1.00 2.09 H new ATOM 0 HG3 LYS A 3 -3.221 -13.364 -9.512 1.00 2.09 H new ATOM 0 HD2 LYS A 3 -2.772 -15.203 -10.839 1.00 2.48 H new ATOM 0 HD3 LYS A 3 -2.450 -15.888 -9.258 1.00 2.48 H new ATOM 0 HE2 LYS A 3 -5.036 -16.159 -10.842 1.00 2.97 H new ATOM 0 HE3 LYS A 3 -3.834 -17.412 -10.602 1.00 2.97 H new ATOM 0 HZ1 LYS A 3 -5.523 -17.844 -9.070 1.00 3.76 H new ATOM 0 HZ2 LYS A 3 -4.288 -17.137 -8.143 1.00 3.76 H new ATOM 0 HZ3 LYS A 3 -5.647 -16.221 -8.585 1.00 3.76 H new ATOM 50 N TYR A 4 -3.664 -12.589 -4.916 1.00 0.82 N ATOM 51 CA TYR A 4 -3.499 -12.596 -3.471 1.00 0.74 C ATOM 52 C TYR A 4 -4.566 -11.736 -2.804 1.00 0.71 C ATOM 53 O TYR A 4 -4.804 -11.850 -1.601 1.00 0.85 O ATOM 54 CB TYR A 4 -2.107 -12.089 -3.095 1.00 0.79 C ATOM 55 CG TYR A 4 -1.199 -13.153 -2.522 1.00 0.97 C ATOM 56 CD1 TYR A 4 -0.742 -14.201 -3.308 1.00 1.18 C ATOM 57 CD2 TYR A 4 -0.798 -13.105 -1.193 1.00 1.63 C ATOM 58 CE1 TYR A 4 0.092 -15.172 -2.787 1.00 1.59 C ATOM 59 CE2 TYR A 4 0.036 -14.071 -0.663 1.00 2.20 C ATOM 60 CZ TYR A 4 0.479 -15.102 -1.464 1.00 2.07 C ATOM 61 OH TYR A 4 1.313 -16.067 -0.943 1.00 2.69 O ATOM 0 H TYR A 4 -3.044 -11.943 -5.405 1.00 0.82 H new ATOM 0 HA TYR A 4 -3.610 -13.621 -3.118 1.00 0.74 H new ATOM 0 HB2 TYR A 4 -1.636 -11.662 -3.980 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -2.209 -11.283 -2.368 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -1.043 -14.259 -4.344 1.00 1.18 H new ATOM 0 HD2 TYR A 4 -1.144 -12.299 -0.563 1.00 1.63 H new ATOM 0 HE1 TYR A 4 0.439 -15.982 -3.412 1.00 1.59 H new ATOM 0 HE2 TYR A 4 0.339 -14.019 0.372 1.00 2.20 H new ATOM 0 HH TYR A 4 1.490 -15.871 0.001 1.00 2.69 H new ATOM 71 N ALA A 5 -5.206 -10.882 -3.594 1.00 0.72 N ATOM 72 CA ALA A 5 -6.269 -10.015 -3.098 1.00 0.78 C ATOM 73 C ALA A 5 -7.495 -10.824 -2.691 1.00 0.84 C ATOM 74 O ALA A 5 -8.263 -10.410 -1.822 1.00 1.03 O ATOM 75 CB ALA A 5 -6.638 -8.987 -4.139 1.00 1.02 C ATOM 0 H ALA A 5 -5.006 -10.771 -4.588 1.00 0.72 H new ATOM 0 HA ALA A 5 -5.897 -9.500 -2.212 1.00 0.78 H new ATOM 0 HB1 ALA A 5 -7.432 -8.348 -3.754 1.00 1.02 H new ATOM 0 HB2 ALA A 5 -5.765 -8.378 -4.375 1.00 1.02 H new ATOM 0 HB3 ALA A 5 -6.984 -9.491 -5.042 1.00 1.02 H new ATOM 81 N ASN A 6 -7.673 -11.976 -3.328 1.00 0.88 N ATOM 82 CA ASN A 6 -8.771 -12.879 -2.999 1.00 1.15 C ATOM 83 C ASN A 6 -8.574 -13.455 -1.600 1.00 1.35 C ATOM 84 O ASN A 6 -9.508 -13.527 -0.802 1.00 1.76 O ATOM 85 CB ASN A 6 -8.851 -14.011 -4.029 1.00 1.22 C ATOM 86 CG ASN A 6 -9.947 -15.018 -3.722 1.00 1.60 C ATOM 87 OD1 ASN A 6 -10.990 -14.675 -3.167 1.00 2.19 O ATOM 88 ND2 ASN A 6 -9.713 -16.271 -4.076 1.00 2.25 N ATOM 0 H ASN A 6 -7.068 -12.308 -4.079 1.00 0.88 H new ATOM 0 HA ASN A 6 -9.706 -12.319 -3.021 1.00 1.15 H new ATOM 0 HB2 ASN A 6 -9.024 -13.584 -5.017 1.00 1.22 H new ATOM 0 HB3 ASN A 6 -7.892 -14.527 -4.068 1.00 1.22 H new ATOM 0 HD21 ASN A 6 -10.410 -16.992 -3.890 1.00 2.25 H new ATOM 0 HD22 ASN A 6 -8.835 -16.516 -4.534 1.00 2.25 H new ATOM 95 N ASN A 7 -7.341 -13.838 -1.306 1.00 1.33 N ATOM 96 CA ASN A 7 -6.993 -14.415 -0.011 1.00 1.82 C ATOM 97 C ASN A 7 -6.314 -13.367 0.861 1.00 1.74 C ATOM 98 O ASN A 7 -5.360 -13.661 1.586 1.00 2.40 O ATOM 99 CB ASN A 7 -6.075 -15.629 -0.195 1.00 2.31 C ATOM 100 CG ASN A 7 -6.812 -16.866 -0.689 1.00 2.79 C ATOM 101 OD1 ASN A 7 -7.854 -16.773 -1.340 1.00 3.33 O ATOM 102 ND2 ASN A 7 -6.267 -18.037 -0.396 1.00 3.26 N ATOM 0 H ASN A 7 -6.556 -13.760 -1.952 1.00 1.33 H new ATOM 0 HA ASN A 7 -7.907 -14.746 0.482 1.00 1.82 H new ATOM 0 HB2 ASN A 7 -5.286 -15.376 -0.904 1.00 2.31 H new ATOM 0 HB3 ASN A 7 -5.590 -15.857 0.754 1.00 2.31 H new ATOM 0 HD21 ASN A 7 -6.711 -18.899 -0.712 1.00 3.26 H new ATOM 0 HD22 ASN A 7 -5.403 -18.076 0.145 1.00 3.26 H new ATOM 109 N LEU A 8 -6.814 -12.141 0.778 1.00 1.18 N ATOM 110 CA LEU A 8 -6.225 -11.019 1.490 1.00 1.17 C ATOM 111 C LEU A 8 -6.406 -11.179 2.995 1.00 0.94 C ATOM 112 O LEU A 8 -7.521 -11.102 3.513 1.00 1.12 O ATOM 113 CB LEU A 8 -6.863 -9.708 1.016 1.00 1.36 C ATOM 114 CG LEU A 8 -5.965 -8.465 1.090 1.00 1.46 C ATOM 115 CD1 LEU A 8 -5.698 -8.061 2.530 1.00 1.38 C ATOM 116 CD2 LEU A 8 -4.655 -8.706 0.361 1.00 2.10 C ATOM 0 H LEU A 8 -7.633 -11.899 0.220 1.00 1.18 H new ATOM 0 HA LEU A 8 -5.157 -10.994 1.276 1.00 1.17 H new ATOM 0 HB2 LEU A 8 -7.189 -9.837 -0.016 1.00 1.36 H new ATOM 0 HB3 LEU A 8 -7.757 -9.524 1.612 1.00 1.36 H new ATOM 0 HG LEU A 8 -6.493 -7.647 0.601 1.00 1.46 H new ATOM 0 HD11 LEU A 8 -5.059 -7.178 2.548 1.00 1.38 H new ATOM 0 HD12 LEU A 8 -6.642 -7.836 3.026 1.00 1.38 H new ATOM 0 HD13 LEU A 8 -5.201 -8.879 3.051 1.00 1.38 H new ATOM 0 HD21 LEU A 8 -4.033 -7.813 0.425 1.00 2.10 H new ATOM 0 HD22 LEU A 8 -4.133 -9.546 0.819 1.00 2.10 H new ATOM 0 HD23 LEU A 8 -4.857 -8.932 -0.686 1.00 2.10 H new ATOM 128 N THR A 9 -5.305 -11.409 3.689 1.00 0.92 N ATOM 129 CA THR A 9 -5.326 -11.492 5.136 1.00 0.82 C ATOM 130 C THR A 9 -4.920 -10.150 5.739 1.00 0.67 C ATOM 131 O THR A 9 -3.822 -9.656 5.484 1.00 0.76 O ATOM 132 CB THR A 9 -4.371 -12.584 5.644 1.00 1.14 C ATOM 133 OG1 THR A 9 -4.506 -13.769 4.841 1.00 1.34 O ATOM 134 CG2 THR A 9 -4.668 -12.920 7.096 1.00 1.25 C ATOM 0 H THR A 9 -4.384 -11.542 3.271 1.00 0.92 H new ATOM 0 HA THR A 9 -6.341 -11.746 5.443 1.00 0.82 H new ATOM 0 HB THR A 9 -3.350 -12.209 5.569 1.00 1.14 H new ATOM 0 HG1 THR A 9 -3.893 -14.459 5.170 1.00 1.34 H new ATOM 0 HG21 THR A 9 -3.982 -13.695 7.438 1.00 1.25 H new ATOM 0 HG22 THR A 9 -4.542 -12.028 7.709 1.00 1.25 H new ATOM 0 HG23 THR A 9 -5.693 -13.279 7.184 1.00 1.25 H new ATOM 142 N GLN A 10 -5.818 -9.551 6.506 1.00 0.63 N ATOM 143 CA GLN A 10 -5.524 -8.292 7.175 1.00 0.63 C ATOM 144 C GLN A 10 -5.209 -8.526 8.644 1.00 0.66 C ATOM 145 O GLN A 10 -5.768 -9.421 9.281 1.00 0.85 O ATOM 146 CB GLN A 10 -6.683 -7.306 7.038 1.00 0.78 C ATOM 147 CG GLN A 10 -6.937 -6.870 5.610 1.00 0.90 C ATOM 148 CD GLN A 10 -7.851 -5.664 5.522 1.00 1.21 C ATOM 149 OE1 GLN A 10 -9.070 -5.797 5.446 1.00 1.49 O ATOM 150 NE2 GLN A 10 -7.263 -4.477 5.521 1.00 1.91 N ATOM 0 H GLN A 10 -6.755 -9.915 6.681 1.00 0.63 H new ATOM 0 HA GLN A 10 -4.649 -7.858 6.691 1.00 0.63 H new ATOM 0 HB2 GLN A 10 -7.588 -7.764 7.437 1.00 0.78 H new ATOM 0 HB3 GLN A 10 -6.476 -6.426 7.647 1.00 0.78 H new ATOM 0 HG2 GLN A 10 -5.986 -6.636 5.131 1.00 0.90 H new ATOM 0 HG3 GLN A 10 -7.379 -7.697 5.055 1.00 0.90 H new ATOM 0 HE21 GLN A 10 -6.247 -4.411 5.586 1.00 1.91 H new ATOM 0 HE22 GLN A 10 -7.826 -3.629 5.455 1.00 1.91 H new ATOM 159 N LEU A 11 -4.310 -7.716 9.163 1.00 0.56 N ATOM 160 CA LEU A 11 -3.818 -7.857 10.517 1.00 0.56 C ATOM 161 C LEU A 11 -3.860 -6.515 11.241 1.00 0.57 C ATOM 162 O LEU A 11 -2.997 -5.663 11.036 1.00 0.73 O ATOM 163 CB LEU A 11 -2.386 -8.403 10.454 1.00 0.62 C ATOM 164 CG LEU A 11 -1.575 -8.338 11.749 1.00 0.53 C ATOM 165 CD1 LEU A 11 -2.298 -9.049 12.886 1.00 0.91 C ATOM 166 CD2 LEU A 11 -0.196 -8.945 11.534 1.00 0.88 C ATOM 0 H LEU A 11 -3.897 -6.935 8.653 1.00 0.56 H new ATOM 0 HA LEU A 11 -4.448 -8.549 11.076 1.00 0.56 H new ATOM 0 HB2 LEU A 11 -2.431 -9.443 10.131 1.00 0.62 H new ATOM 0 HB3 LEU A 11 -1.845 -7.853 9.684 1.00 0.62 H new ATOM 0 HG LEU A 11 -1.461 -7.290 12.028 1.00 0.53 H new ATOM 0 HD11 LEU A 11 -1.698 -8.987 13.794 1.00 0.91 H new ATOM 0 HD12 LEU A 11 -3.264 -8.574 13.056 1.00 0.91 H new ATOM 0 HD13 LEU A 11 -2.450 -10.096 12.623 1.00 0.91 H new ATOM 0 HD21 LEU A 11 0.373 -8.893 12.462 1.00 0.88 H new ATOM 0 HD22 LEU A 11 -0.300 -9.986 11.230 1.00 0.88 H new ATOM 0 HD23 LEU A 11 0.328 -8.390 10.756 1.00 0.88 H new ATOM 178 N ASP A 12 -4.866 -6.311 12.079 1.00 0.63 N ATOM 179 CA ASP A 12 -4.930 -5.081 12.850 1.00 0.83 C ATOM 180 C ASP A 12 -4.100 -5.233 14.121 1.00 0.94 C ATOM 181 O ASP A 12 -4.559 -5.742 15.144 1.00 1.05 O ATOM 182 CB ASP A 12 -6.386 -4.657 13.150 1.00 1.10 C ATOM 183 CG ASP A 12 -7.177 -5.648 13.988 1.00 1.44 C ATOM 184 OD1 ASP A 12 -7.495 -6.744 13.478 1.00 1.94 O ATOM 185 OD2 ASP A 12 -7.451 -5.359 15.172 1.00 2.02 O ATOM 0 H ASP A 12 -5.632 -6.965 12.240 1.00 0.63 H new ATOM 0 HA ASP A 12 -4.505 -4.274 12.253 1.00 0.83 H new ATOM 0 HB2 ASP A 12 -6.371 -3.697 13.665 1.00 1.10 H new ATOM 0 HB3 ASP A 12 -6.907 -4.504 12.205 1.00 1.10 H new ATOM 190 N ASN A 13 -2.861 -4.780 14.030 1.00 1.02 N ATOM 191 CA ASN A 13 -1.907 -4.880 15.124 1.00 1.28 C ATOM 192 C ASN A 13 -1.212 -3.538 15.311 1.00 1.44 C ATOM 193 O ASN A 13 -0.094 -3.327 14.843 1.00 1.62 O ATOM 194 CB ASN A 13 -0.881 -5.987 14.834 1.00 1.46 C ATOM 195 CG ASN A 13 0.163 -6.145 15.929 1.00 1.77 C ATOM 196 OD1 ASN A 13 1.233 -5.537 15.880 1.00 1.90 O ATOM 197 ND2 ASN A 13 -0.135 -6.971 16.918 1.00 2.47 N ATOM 0 H ASN A 13 -2.487 -4.331 13.194 1.00 1.02 H new ATOM 0 HA ASN A 13 -2.433 -5.138 16.043 1.00 1.28 H new ATOM 0 HB2 ASN A 13 -1.406 -6.933 14.703 1.00 1.46 H new ATOM 0 HB3 ASN A 13 -0.378 -5.769 13.892 1.00 1.46 H new ATOM 0 HD21 ASN A 13 0.532 -7.122 17.675 1.00 2.47 H new ATOM 0 HD22 ASN A 13 -1.032 -7.457 16.924 1.00 2.47 H new ATOM 204 N GLY A 14 -1.907 -2.616 15.954 1.00 1.54 N ATOM 205 CA GLY A 14 -1.351 -1.300 16.188 1.00 1.82 C ATOM 206 C GLY A 14 -1.420 -0.428 14.950 1.00 1.62 C ATOM 207 O GLY A 14 -0.747 0.601 14.868 1.00 1.79 O ATOM 0 H GLY A 14 -2.849 -2.755 16.320 1.00 1.54 H new ATOM 0 HA2 GLY A 14 -1.891 -0.817 17.002 1.00 1.82 H new ATOM 0 HA3 GLY A 14 -0.313 -1.396 16.507 1.00 1.82 H new ATOM 211 N VAL A 15 -2.235 -0.847 13.987 1.00 1.30 N ATOM 212 CA VAL A 15 -2.419 -0.100 12.754 1.00 1.12 C ATOM 213 C VAL A 15 -3.051 1.247 13.032 1.00 1.26 C ATOM 214 O VAL A 15 -4.188 1.357 13.497 1.00 1.39 O ATOM 215 CB VAL A 15 -3.262 -0.893 11.727 1.00 0.92 C ATOM 216 CG1 VAL A 15 -4.528 -1.444 12.358 1.00 0.98 C ATOM 217 CG2 VAL A 15 -3.596 -0.038 10.510 1.00 0.93 C ATOM 0 H VAL A 15 -2.781 -1.707 14.041 1.00 1.30 H new ATOM 0 HA VAL A 15 -1.433 0.061 12.319 1.00 1.12 H new ATOM 0 HB VAL A 15 -2.658 -1.737 11.393 1.00 0.92 H new ATOM 0 HG11 VAL A 15 -5.097 -1.996 11.610 1.00 0.98 H new ATOM 0 HG12 VAL A 15 -4.265 -2.112 13.178 1.00 0.98 H new ATOM 0 HG13 VAL A 15 -5.132 -0.621 12.740 1.00 0.98 H new ATOM 0 HG21 VAL A 15 -4.189 -0.622 9.806 1.00 0.93 H new ATOM 0 HG22 VAL A 15 -4.165 0.837 10.825 1.00 0.93 H new ATOM 0 HG23 VAL A 15 -2.673 0.284 10.027 1.00 0.93 H new ATOM 227 N ARG A 16 -2.271 2.268 12.773 1.00 1.34 N ATOM 228 CA ARG A 16 -2.701 3.629 12.947 1.00 1.54 C ATOM 229 C ARG A 16 -2.205 4.457 11.779 1.00 1.39 C ATOM 230 O ARG A 16 -1.042 4.870 11.745 1.00 1.49 O ATOM 231 CB ARG A 16 -2.163 4.185 14.258 1.00 1.95 C ATOM 232 CG ARG A 16 -2.538 5.640 14.499 1.00 2.24 C ATOM 233 CD ARG A 16 -4.028 5.802 14.757 1.00 2.54 C ATOM 234 NE ARG A 16 -4.431 5.160 16.006 1.00 3.18 N ATOM 235 CZ ARG A 16 -5.693 4.929 16.364 1.00 3.77 C ATOM 236 NH1 ARG A 16 -6.697 5.263 15.557 1.00 3.91 N ATOM 237 NH2 ARG A 16 -5.948 4.354 17.531 1.00 4.59 N ATOM 0 H ARG A 16 -1.314 2.175 12.433 1.00 1.34 H new ATOM 0 HA ARG A 16 -3.790 3.668 12.981 1.00 1.54 H new ATOM 0 HB2 ARG A 16 -2.540 3.579 15.082 1.00 1.95 H new ATOM 0 HB3 ARG A 16 -1.077 4.092 14.265 1.00 1.95 H new ATOM 0 HG2 ARG A 16 -1.977 6.024 15.351 1.00 2.24 H new ATOM 0 HG3 ARG A 16 -2.251 6.238 13.634 1.00 2.24 H new ATOM 0 HD2 ARG A 16 -4.278 6.862 14.795 1.00 2.54 H new ATOM 0 HD3 ARG A 16 -4.590 5.372 13.928 1.00 2.54 H new ATOM 0 HE ARG A 16 -3.695 4.868 16.649 1.00 3.18 H new ATOM 0 HH11 ARG A 16 -6.503 5.700 14.656 1.00 3.91 H new ATOM 0 HH12 ARG A 16 -7.660 5.082 15.840 1.00 3.91 H new ATOM 0 HH21 ARG A 16 -5.180 4.091 18.149 1.00 4.59 H new ATOM 0 HH22 ARG A 16 -6.912 4.174 17.811 1.00 4.59 H new ATOM 251 N ILE A 17 -3.069 4.664 10.806 1.00 1.28 N ATOM 252 CA ILE A 17 -2.719 5.472 9.656 1.00 1.19 C ATOM 253 C ILE A 17 -2.641 6.930 10.085 1.00 1.73 C ATOM 254 O ILE A 17 -3.560 7.458 10.710 1.00 2.16 O ATOM 255 CB ILE A 17 -3.733 5.277 8.508 1.00 1.21 C ATOM 256 CG1 ILE A 17 -3.952 3.781 8.252 1.00 1.00 C ATOM 257 CG2 ILE A 17 -3.222 5.942 7.245 1.00 1.15 C ATOM 258 CD1 ILE A 17 -2.727 3.075 7.706 1.00 0.64 C ATOM 0 H ILE A 17 -4.016 4.285 10.788 1.00 1.28 H new ATOM 0 HA ILE A 17 -1.747 5.158 9.275 1.00 1.19 H new ATOM 0 HB ILE A 17 -4.680 5.734 8.794 1.00 1.21 H new ATOM 0 HG12 ILE A 17 -4.253 3.301 9.183 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -4.776 3.658 7.549 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -3.944 5.799 6.441 1.00 1.15 H new ATOM 0 HG22 ILE A 17 -3.086 7.008 7.425 1.00 1.15 H new ATOM 0 HG23 ILE A 17 -2.269 5.497 6.960 1.00 1.15 H new ATOM 0 HD11 ILE A 17 -2.954 2.021 7.549 1.00 0.64 H new ATOM 0 HD12 ILE A 17 -2.438 3.529 6.758 1.00 0.64 H new ATOM 0 HD13 ILE A 17 -1.907 3.167 8.418 1.00 0.64 H new ATOM 316 N TRP A 22 -0.611 9.679 4.787 1.00 0.80 N ATOM 317 CA TRP A 22 0.357 8.715 4.284 1.00 0.60 C ATOM 318 C TRP A 22 1.795 9.220 4.434 1.00 0.47 C ATOM 319 O TRP A 22 2.064 10.417 4.303 1.00 0.57 O ATOM 320 CB TRP A 22 0.067 8.370 2.819 1.00 0.60 C ATOM 321 CG TRP A 22 -0.166 9.556 1.922 1.00 0.94 C ATOM 322 CD1 TRP A 22 0.729 10.530 1.585 1.00 1.96 C ATOM 323 CD2 TRP A 22 -1.381 9.877 1.227 1.00 1.26 C ATOM 324 NE1 TRP A 22 0.148 11.436 0.736 1.00 2.25 N ATOM 325 CE2 TRP A 22 -1.148 11.060 0.502 1.00 1.73 C ATOM 326 CE3 TRP A 22 -2.646 9.281 1.154 1.00 2.10 C ATOM 327 CZ2 TRP A 22 -2.127 11.655 -0.288 1.00 2.22 C ATOM 328 CZ3 TRP A 22 -3.617 9.873 0.367 1.00 2.82 C ATOM 329 CH2 TRP A 22 -3.353 11.051 -0.343 1.00 2.65 C ATOM 0 HA TRP A 22 0.257 7.812 4.887 1.00 0.60 H new ATOM 0 HB2 TRP A 22 0.904 7.793 2.424 1.00 0.60 H new ATOM 0 HB3 TRP A 22 -0.811 7.725 2.780 1.00 0.60 H new ATOM 0 HD1 TRP A 22 1.749 10.580 1.937 1.00 1.96 H new ATOM 0 HE1 TRP A 22 0.607 12.257 0.342 1.00 2.25 H new ATOM 0 HE3 TRP A 22 -2.860 8.375 1.702 1.00 2.10 H new ATOM 0 HZ2 TRP A 22 -1.926 12.562 -0.839 1.00 2.22 H new ATOM 0 HZ3 TRP A 22 -4.595 9.420 0.299 1.00 2.82 H new ATOM 0 HH2 TRP A 22 -4.133 11.491 -0.946 1.00 2.65 H new ATOM 340 N LYS A 23 2.690 8.282 4.740 1.00 0.41 N ATOM 341 CA LYS A 23 4.132 8.509 4.795 1.00 0.39 C ATOM 342 C LYS A 23 4.801 7.218 5.248 1.00 0.37 C ATOM 343 O LYS A 23 4.284 6.533 6.131 1.00 0.39 O ATOM 344 CB LYS A 23 4.488 9.653 5.744 1.00 0.51 C ATOM 345 CG LYS A 23 5.980 9.956 5.785 1.00 0.59 C ATOM 346 CD LYS A 23 6.260 11.338 6.334 1.00 0.70 C ATOM 347 CE LYS A 23 5.925 12.402 5.310 1.00 0.67 C ATOM 348 NZ LYS A 23 5.842 13.758 5.917 1.00 1.23 N ATOM 0 H LYS A 23 2.426 7.322 4.961 1.00 0.41 H new ATOM 0 HA LYS A 23 4.486 8.795 3.805 1.00 0.39 H new ATOM 0 HB2 LYS A 23 3.950 10.550 5.439 1.00 0.51 H new ATOM 0 HB3 LYS A 23 4.147 9.403 6.749 1.00 0.51 H new ATOM 0 HG2 LYS A 23 6.485 9.212 6.401 1.00 0.59 H new ATOM 0 HG3 LYS A 23 6.395 9.873 4.780 1.00 0.59 H new ATOM 0 HD2 LYS A 23 5.674 11.500 7.239 1.00 0.70 H new ATOM 0 HD3 LYS A 23 7.310 11.416 6.616 1.00 0.70 H new ATOM 0 HE2 LYS A 23 6.683 12.402 4.527 1.00 0.67 H new ATOM 0 HE3 LYS A 23 4.975 12.160 4.834 1.00 0.67 H new ATOM 0 HZ1 LYS A 23 5.386 14.411 5.248 1.00 1.23 H new ATOM 0 HZ2 LYS A 23 5.283 13.713 6.793 1.00 1.23 H new ATOM 0 HZ3 LYS A 23 6.800 14.100 6.135 1.00 1.23 H new ATOM 362 N CYS A 24 5.929 6.871 4.642 1.00 0.37 N ATOM 363 CA CYS A 24 6.522 5.566 4.871 1.00 0.40 C ATOM 364 C CYS A 24 7.338 5.499 6.156 1.00 0.48 C ATOM 365 O CYS A 24 7.657 6.520 6.765 1.00 0.57 O ATOM 366 CB CYS A 24 7.380 5.141 3.691 1.00 0.46 C ATOM 367 SG CYS A 24 8.819 6.169 3.355 1.00 0.80 S ATOM 0 H CYS A 24 6.444 7.469 3.996 1.00 0.37 H new ATOM 0 HA CYS A 24 5.688 4.872 4.981 1.00 0.40 H new ATOM 0 HB2 CYS A 24 7.719 4.119 3.863 1.00 0.46 H new ATOM 0 HB3 CYS A 24 6.754 5.123 2.799 1.00 0.46 H new ATOM 0 HG CYS A 24 9.188 6.769 4.447 1.00 0.80 H new ATOM 372 N ALA A 25 7.649 4.278 6.563 1.00 0.50 N ATOM 373 CA ALA A 25 8.438 4.028 7.758 1.00 0.62 C ATOM 374 C ALA A 25 9.862 4.582 7.639 1.00 0.70 C ATOM 375 O ALA A 25 10.215 5.563 8.296 1.00 0.90 O ATOM 376 CB ALA A 25 8.471 2.533 8.033 1.00 0.72 C ATOM 0 H ALA A 25 7.361 3.431 6.073 1.00 0.50 H new ATOM 0 HA ALA A 25 7.965 4.549 8.591 1.00 0.62 H new ATOM 0 HB1 ALA A 25 9.062 2.341 8.929 1.00 0.72 H new ATOM 0 HB2 ALA A 25 7.455 2.168 8.183 1.00 0.72 H new ATOM 0 HB3 ALA A 25 8.920 2.017 7.184 1.00 0.72 H new ATOM 382 N ARG A 26 10.658 3.941 6.781 1.00 0.72 N ATOM 383 CA ARG A 26 12.076 4.255 6.621 1.00 0.88 C ATOM 384 C ARG A 26 12.316 5.706 6.212 1.00 0.84 C ATOM 385 O ARG A 26 12.703 6.539 7.029 1.00 0.94 O ATOM 386 CB ARG A 26 12.676 3.336 5.562 1.00 1.00 C ATOM 387 CG ARG A 26 13.736 2.392 6.085 1.00 1.18 C ATOM 388 CD ARG A 26 13.196 1.441 7.140 1.00 1.06 C ATOM 389 NE ARG A 26 14.179 0.409 7.466 1.00 1.71 N ATOM 390 CZ ARG A 26 13.900 -0.721 8.112 1.00 1.86 C ATOM 391 NH1 ARG A 26 12.679 -0.943 8.584 1.00 1.80 N ATOM 392 NH2 ARG A 26 14.856 -1.620 8.307 1.00 2.59 N ATOM 0 H ARG A 26 10.334 3.187 6.176 1.00 0.72 H new ATOM 0 HA ARG A 26 12.553 4.104 7.589 1.00 0.88 H new ATOM 0 HB2 ARG A 26 11.875 2.750 5.110 1.00 1.00 H new ATOM 0 HB3 ARG A 26 13.109 3.947 4.770 1.00 1.00 H new ATOM 0 HG2 ARG A 26 14.146 1.815 5.256 1.00 1.18 H new ATOM 0 HG3 ARG A 26 14.557 2.971 6.508 1.00 1.18 H new ATOM 0 HD2 ARG A 26 12.937 1.999 8.040 1.00 1.06 H new ATOM 0 HD3 ARG A 26 12.279 0.974 6.779 1.00 1.06 H new ATOM 0 HE ARG A 26 15.145 0.566 7.179 1.00 1.71 H new ATOM 0 HH11 ARG A 26 11.947 -0.245 8.453 1.00 1.80 H new ATOM 0 HH12 ARG A 26 12.473 -1.811 9.078 1.00 1.80 H new ATOM 0 HH21 ARG A 26 15.800 -1.444 7.963 1.00 2.59 H new ATOM 0 HH22 ARG A 26 14.647 -2.487 8.801 1.00 2.59 H new ATOM 406 N CYS A 27 12.100 5.991 4.934 1.00 0.75 N ATOM 407 CA CYS A 27 12.363 7.317 4.384 1.00 0.75 C ATOM 408 C CYS A 27 11.275 8.306 4.786 1.00 0.75 C ATOM 409 O CYS A 27 10.270 7.933 5.388 1.00 0.85 O ATOM 410 CB CYS A 27 12.452 7.240 2.857 1.00 0.75 C ATOM 411 SG CYS A 27 12.337 5.561 2.197 1.00 0.76 S ATOM 0 H CYS A 27 11.742 5.319 4.255 1.00 0.75 H new ATOM 0 HA CYS A 27 13.312 7.669 4.789 1.00 0.75 H new ATOM 0 HB2 CYS A 27 11.654 7.844 2.426 1.00 0.75 H new ATOM 0 HB3 CYS A 27 13.395 7.682 2.536 1.00 0.75 H new ATOM 0 HG CYS A 27 11.402 5.512 1.295 1.00 0.76 H new ATOM 416 N ASP A 28 11.479 9.562 4.434 1.00 0.72 N ATOM 417 CA ASP A 28 10.527 10.610 4.758 1.00 0.74 C ATOM 418 C ASP A 28 9.831 11.088 3.487 1.00 0.68 C ATOM 419 O ASP A 28 9.830 12.272 3.157 1.00 0.89 O ATOM 420 CB ASP A 28 11.258 11.759 5.453 1.00 0.86 C ATOM 421 CG ASP A 28 10.328 12.835 5.980 1.00 1.34 C ATOM 422 OD1 ASP A 28 9.541 12.540 6.905 1.00 2.00 O ATOM 423 OD2 ASP A 28 10.356 13.967 5.453 1.00 1.66 O ATOM 0 H ASP A 28 12.300 9.883 3.921 1.00 0.72 H new ATOM 0 HA ASP A 28 9.765 10.224 5.435 1.00 0.74 H new ATOM 0 HB2 ASP A 28 11.844 11.359 6.280 1.00 0.86 H new ATOM 0 HB3 ASP A 28 11.961 12.209 4.752 1.00 0.86 H new ATOM 428 N LEU A 29 9.275 10.146 2.744 1.00 0.53 N ATOM 429 CA LEU A 29 8.566 10.477 1.523 1.00 0.47 C ATOM 430 C LEU A 29 7.075 10.666 1.745 1.00 0.48 C ATOM 431 O LEU A 29 6.431 9.922 2.485 1.00 0.51 O ATOM 432 CB LEU A 29 8.816 9.425 0.455 1.00 0.46 C ATOM 433 CG LEU A 29 10.100 9.648 -0.329 1.00 0.48 C ATOM 434 CD1 LEU A 29 10.330 8.509 -1.295 1.00 0.52 C ATOM 435 CD2 LEU A 29 10.019 10.976 -1.057 1.00 0.56 C ATOM 0 H LEU A 29 9.301 9.151 2.965 1.00 0.53 H new ATOM 0 HA LEU A 29 8.960 11.434 1.180 1.00 0.47 H new ATOM 0 HB2 LEU A 29 8.853 8.443 0.926 1.00 0.46 H new ATOM 0 HB3 LEU A 29 7.974 9.415 -0.237 1.00 0.46 H new ATOM 0 HG LEU A 29 10.947 9.676 0.357 1.00 0.48 H new ATOM 0 HD11 LEU A 29 11.253 8.682 -1.849 1.00 0.52 H new ATOM 0 HD12 LEU A 29 10.409 7.573 -0.742 1.00 0.52 H new ATOM 0 HD13 LEU A 29 9.494 8.449 -1.992 1.00 0.52 H new ATOM 0 HD21 LEU A 29 10.938 11.139 -1.620 1.00 0.56 H new ATOM 0 HD22 LEU A 29 9.171 10.964 -1.742 1.00 0.56 H new ATOM 0 HD23 LEU A 29 9.890 11.781 -0.333 1.00 0.56 H new ATOM 447 N ARG A 30 6.556 11.687 1.086 1.00 0.51 N ATOM 448 CA ARG A 30 5.157 12.066 1.168 1.00 0.59 C ATOM 449 C ARG A 30 4.355 11.450 0.023 1.00 0.60 C ATOM 450 O ARG A 30 3.135 11.580 -0.031 1.00 0.71 O ATOM 451 CB ARG A 30 5.077 13.586 1.076 1.00 0.72 C ATOM 452 CG ARG A 30 5.870 14.293 2.149 1.00 0.94 C ATOM 453 CD ARG A 30 6.136 15.729 1.757 1.00 1.06 C ATOM 454 NE ARG A 30 4.914 16.454 1.411 1.00 2.05 N ATOM 455 CZ ARG A 30 4.733 17.062 0.238 1.00 2.56 C ATOM 456 NH1 ARG A 30 5.712 17.066 -0.661 1.00 2.36 N ATOM 457 NH2 ARG A 30 3.592 17.680 -0.032 1.00 3.67 N ATOM 0 H ARG A 30 7.104 12.286 0.469 1.00 0.51 H new ATOM 0 HA ARG A 30 4.738 11.705 2.108 1.00 0.59 H new ATOM 0 HB2 ARG A 30 5.439 13.903 0.098 1.00 0.72 H new ATOM 0 HB3 ARG A 30 4.033 13.893 1.144 1.00 0.72 H new ATOM 0 HG2 ARG A 30 5.323 14.263 3.092 1.00 0.94 H new ATOM 0 HG3 ARG A 30 6.815 13.774 2.312 1.00 0.94 H new ATOM 0 HD2 ARG A 30 6.636 16.240 2.580 1.00 1.06 H new ATOM 0 HD3 ARG A 30 6.819 15.749 0.908 1.00 1.06 H new ATOM 0 HE ARG A 30 4.164 16.497 2.100 1.00 2.05 H new ATOM 0 HH11 ARG A 30 6.598 16.605 -0.453 1.00 2.36 H new ATOM 0 HH12 ARG A 30 5.578 17.530 -1.559 1.00 2.36 H new ATOM 0 HH21 ARG A 30 2.843 17.693 0.660 1.00 3.67 H new ATOM 0 HH22 ARG A 30 3.463 18.142 -0.932 1.00 3.67 H new ATOM 471 N GLU A 31 5.054 10.776 -0.884 1.00 0.55 N ATOM 472 CA GLU A 31 4.455 10.290 -2.122 1.00 0.65 C ATOM 473 C GLU A 31 5.091 8.969 -2.526 1.00 0.55 C ATOM 474 O GLU A 31 6.056 8.528 -1.894 1.00 0.49 O ATOM 475 CB GLU A 31 4.649 11.312 -3.250 1.00 0.81 C ATOM 476 CG GLU A 31 3.938 12.635 -3.015 1.00 1.49 C ATOM 477 CD GLU A 31 4.259 13.662 -4.078 1.00 2.12 C ATOM 478 OE1 GLU A 31 3.639 13.613 -5.161 1.00 2.41 O ATOM 479 OE2 GLU A 31 5.130 14.525 -3.838 1.00 2.82 O ATOM 0 H GLU A 31 6.044 10.552 -0.783 1.00 0.55 H new ATOM 0 HA GLU A 31 3.388 10.144 -1.952 1.00 0.65 H new ATOM 0 HB2 GLU A 31 5.715 11.501 -3.375 1.00 0.81 H new ATOM 0 HB3 GLU A 31 4.290 10.879 -4.184 1.00 0.81 H new ATOM 0 HG2 GLU A 31 2.861 12.466 -2.991 1.00 1.49 H new ATOM 0 HG3 GLU A 31 4.221 13.027 -2.038 1.00 1.49 H new ATOM 486 N ASN A 32 4.547 8.347 -3.578 1.00 0.60 N ATOM 487 CA ASN A 32 5.078 7.082 -4.100 1.00 0.61 C ATOM 488 C ASN A 32 5.066 6.003 -3.029 1.00 0.50 C ATOM 489 O ASN A 32 5.937 5.137 -3.002 1.00 0.54 O ATOM 490 CB ASN A 32 6.507 7.273 -4.622 1.00 0.69 C ATOM 491 CG ASN A 32 6.552 7.869 -6.012 1.00 1.23 C ATOM 492 OD1 ASN A 32 5.707 7.571 -6.854 1.00 1.82 O ATOM 493 ND2 ASN A 32 7.538 8.718 -6.255 1.00 2.01 N ATOM 0 H ASN A 32 3.736 8.700 -4.086 1.00 0.60 H new ATOM 0 HA ASN A 32 4.436 6.766 -4.922 1.00 0.61 H new ATOM 0 HB2 ASN A 32 7.055 7.920 -3.937 1.00 0.69 H new ATOM 0 HB3 ASN A 32 7.018 6.310 -4.628 1.00 0.69 H new ATOM 0 HD21 ASN A 32 7.620 9.156 -7.173 1.00 2.01 H new ATOM 0 HD22 ASN A 32 8.216 8.935 -5.524 1.00 2.01 H new ATOM 500 N LEU A 33 4.072 6.048 -2.164 1.00 0.41 N ATOM 501 CA LEU A 33 4.038 5.181 -0.998 1.00 0.32 C ATOM 502 C LEU A 33 3.284 3.890 -1.272 1.00 0.30 C ATOM 503 O LEU A 33 2.465 3.819 -2.182 1.00 0.34 O ATOM 504 CB LEU A 33 3.403 5.919 0.175 1.00 0.31 C ATOM 505 CG LEU A 33 4.090 7.231 0.536 1.00 0.34 C ATOM 506 CD1 LEU A 33 3.125 8.173 1.223 1.00 0.39 C ATOM 507 CD2 LEU A 33 5.283 6.970 1.433 1.00 0.32 C ATOM 0 H LEU A 33 3.273 6.677 -2.245 1.00 0.41 H new ATOM 0 HA LEU A 33 5.066 4.914 -0.752 1.00 0.32 H new ATOM 0 HB2 LEU A 33 2.358 6.122 -0.061 1.00 0.31 H new ATOM 0 HB3 LEU A 33 3.411 5.266 1.048 1.00 0.31 H new ATOM 0 HG LEU A 33 4.433 7.699 -0.387 1.00 0.34 H new ATOM 0 HD11 LEU A 33 3.638 9.102 1.471 1.00 0.39 H new ATOM 0 HD12 LEU A 33 2.289 8.387 0.557 1.00 0.39 H new ATOM 0 HD13 LEU A 33 2.752 7.710 2.136 1.00 0.39 H new ATOM 0 HD21 LEU A 33 5.764 7.916 1.683 1.00 0.32 H new ATOM 0 HD22 LEU A 33 4.950 6.479 2.348 1.00 0.32 H new ATOM 0 HD23 LEU A 33 5.994 6.327 0.915 1.00 0.32 H new ATOM 519 N TRP A 34 3.579 2.882 -0.473 1.00 0.28 N ATOM 520 CA TRP A 34 2.900 1.607 -0.540 1.00 0.28 C ATOM 521 C TRP A 34 2.303 1.253 0.814 1.00 0.27 C ATOM 522 O TRP A 34 3.015 0.897 1.751 1.00 0.31 O ATOM 523 CB TRP A 34 3.845 0.492 -0.995 1.00 0.32 C ATOM 524 CG TRP A 34 4.111 0.477 -2.462 1.00 0.57 C ATOM 525 CD1 TRP A 34 3.189 0.637 -3.445 1.00 1.79 C ATOM 526 CD2 TRP A 34 5.364 0.249 -3.112 1.00 0.53 C ATOM 527 NE1 TRP A 34 3.791 0.551 -4.677 1.00 1.85 N ATOM 528 CE2 TRP A 34 5.129 0.310 -4.498 1.00 0.73 C ATOM 529 CE3 TRP A 34 6.662 0.006 -2.657 1.00 1.77 C ATOM 530 CZ2 TRP A 34 6.145 0.139 -5.433 1.00 0.67 C ATOM 531 CZ3 TRP A 34 7.670 -0.166 -3.587 1.00 2.25 C ATOM 532 CH2 TRP A 34 7.407 -0.098 -4.960 1.00 1.47 C ATOM 0 H TRP A 34 4.302 2.928 0.245 1.00 0.28 H new ATOM 0 HA TRP A 34 2.101 1.698 -1.275 1.00 0.28 H new ATOM 0 HB2 TRP A 34 4.793 0.596 -0.466 1.00 0.32 H new ATOM 0 HB3 TRP A 34 3.421 -0.469 -0.704 1.00 0.32 H new ATOM 0 HD1 TRP A 34 2.135 0.807 -3.282 1.00 1.79 H new ATOM 0 HE1 TRP A 34 3.320 0.650 -5.576 1.00 1.85 H new ATOM 0 HE3 TRP A 34 6.874 -0.046 -1.599 1.00 1.77 H new ATOM 0 HZ2 TRP A 34 5.945 0.191 -6.493 1.00 0.67 H new ATOM 0 HZ3 TRP A 34 8.678 -0.356 -3.248 1.00 2.25 H new ATOM 0 HH2 TRP A 34 8.217 -0.235 -5.661 1.00 1.47 H new ATOM 543 N LEU A 35 0.994 1.360 0.904 1.00 0.25 N ATOM 544 CA LEU A 35 0.266 1.053 2.126 1.00 0.26 C ATOM 545 C LEU A 35 -0.041 -0.443 2.173 1.00 0.27 C ATOM 546 O LEU A 35 -0.882 -0.926 1.420 1.00 0.29 O ATOM 547 CB LEU A 35 -1.031 1.871 2.141 1.00 0.28 C ATOM 548 CG LEU A 35 -1.740 2.068 3.488 1.00 0.32 C ATOM 549 CD1 LEU A 35 -3.048 2.786 3.249 1.00 0.36 C ATOM 550 CD2 LEU A 35 -1.992 0.758 4.220 1.00 0.32 C ATOM 0 H LEU A 35 0.400 1.663 0.132 1.00 0.25 H new ATOM 0 HA LEU A 35 0.864 1.310 3.000 1.00 0.26 H new ATOM 0 HB2 LEU A 35 -0.809 2.857 1.732 1.00 0.28 H new ATOM 0 HB3 LEU A 35 -1.735 1.394 1.459 1.00 0.28 H new ATOM 0 HG LEU A 35 -1.084 2.660 4.127 1.00 0.32 H new ATOM 0 HD11 LEU A 35 -3.562 2.932 4.199 1.00 0.36 H new ATOM 0 HD12 LEU A 35 -2.853 3.755 2.789 1.00 0.36 H new ATOM 0 HD13 LEU A 35 -3.675 2.190 2.586 1.00 0.36 H new ATOM 0 HD21 LEU A 35 -2.496 0.960 5.165 1.00 0.32 H new ATOM 0 HD22 LEU A 35 -2.620 0.113 3.605 1.00 0.32 H new ATOM 0 HD23 LEU A 35 -1.041 0.261 4.414 1.00 0.32 H new ATOM 562 N ASN A 36 0.646 -1.167 3.045 1.00 0.28 N ATOM 563 CA ASN A 36 0.466 -2.614 3.161 1.00 0.30 C ATOM 564 C ASN A 36 -0.978 -2.979 3.516 1.00 0.30 C ATOM 565 O ASN A 36 -1.558 -2.431 4.451 1.00 0.35 O ATOM 566 CB ASN A 36 1.437 -3.189 4.197 1.00 0.37 C ATOM 567 CG ASN A 36 1.183 -4.655 4.484 1.00 0.83 C ATOM 568 OD1 ASN A 36 0.490 -5.002 5.432 1.00 1.62 O ATOM 569 ND2 ASN A 36 1.732 -5.531 3.657 1.00 1.44 N ATOM 0 H ASN A 36 1.337 -0.778 3.687 1.00 0.28 H new ATOM 0 HA ASN A 36 0.685 -3.055 2.188 1.00 0.30 H new ATOM 0 HB2 ASN A 36 2.459 -3.064 3.840 1.00 0.37 H new ATOM 0 HB3 ASN A 36 1.352 -2.621 5.124 1.00 0.37 H new ATOM 0 HD21 ASN A 36 1.583 -6.530 3.800 1.00 1.44 H new ATOM 0 HD22 ASN A 36 2.304 -5.207 2.877 1.00 1.44 H new ATOM 576 N LEU A 37 -1.531 -3.931 2.768 1.00 0.28 N ATOM 577 CA LEU A 37 -2.948 -4.300 2.872 1.00 0.31 C ATOM 578 C LEU A 37 -3.244 -5.087 4.139 1.00 0.33 C ATOM 579 O LEU A 37 -4.399 -5.223 4.542 1.00 0.40 O ATOM 580 CB LEU A 37 -3.361 -5.133 1.652 1.00 0.33 C ATOM 581 CG LEU A 37 -3.713 -4.338 0.390 1.00 0.41 C ATOM 582 CD1 LEU A 37 -5.041 -3.621 0.562 1.00 0.59 C ATOM 583 CD2 LEU A 37 -2.626 -3.341 0.066 1.00 0.54 C ATOM 0 H LEU A 37 -1.014 -4.470 2.073 1.00 0.28 H new ATOM 0 HA LEU A 37 -3.522 -3.374 2.910 1.00 0.31 H new ATOM 0 HB2 LEU A 37 -2.548 -5.819 1.412 1.00 0.33 H new ATOM 0 HB3 LEU A 37 -4.222 -5.743 1.926 1.00 0.33 H new ATOM 0 HG LEU A 37 -3.799 -5.041 -0.438 1.00 0.41 H new ATOM 0 HD11 LEU A 37 -5.273 -3.062 -0.345 1.00 0.59 H new ATOM 0 HD12 LEU A 37 -5.828 -4.352 0.749 1.00 0.59 H new ATOM 0 HD13 LEU A 37 -4.977 -2.933 1.405 1.00 0.59 H new ATOM 0 HD21 LEU A 37 -2.896 -2.788 -0.833 1.00 0.54 H new ATOM 0 HD22 LEU A 37 -2.509 -2.647 0.898 1.00 0.54 H new ATOM 0 HD23 LEU A 37 -1.687 -3.868 -0.101 1.00 0.54 H new ATOM 595 N THR A 38 -2.203 -5.600 4.760 1.00 0.32 N ATOM 596 CA THR A 38 -2.363 -6.484 5.901 1.00 0.37 C ATOM 597 C THR A 38 -2.361 -5.721 7.221 1.00 0.35 C ATOM 598 O THR A 38 -3.411 -5.512 7.825 1.00 0.40 O ATOM 599 CB THR A 38 -1.259 -7.557 5.929 1.00 0.43 C ATOM 600 OG1 THR A 38 -1.305 -8.323 4.719 1.00 0.53 O ATOM 601 CG2 THR A 38 -1.415 -8.480 7.132 1.00 0.48 C ATOM 0 H THR A 38 -1.234 -5.421 4.495 1.00 0.32 H new ATOM 0 HA THR A 38 -3.333 -6.967 5.786 1.00 0.37 H new ATOM 0 HB THR A 38 -0.295 -7.055 6.012 1.00 0.43 H new ATOM 0 HG1 THR A 38 -0.696 -9.087 4.792 1.00 0.53 H new ATOM 0 HG21 THR A 38 -0.621 -9.226 7.123 1.00 0.48 H new ATOM 0 HG22 THR A 38 -1.353 -7.895 8.050 1.00 0.48 H new ATOM 0 HG23 THR A 38 -2.383 -8.979 7.084 1.00 0.48 H new ATOM 609 N ASP A 39 -1.183 -5.296 7.654 1.00 0.34 N ATOM 610 CA ASP A 39 -1.027 -4.730 8.984 1.00 0.36 C ATOM 611 C ASP A 39 -1.045 -3.208 8.927 1.00 0.32 C ATOM 612 O ASP A 39 -1.115 -2.538 9.958 1.00 0.48 O ATOM 613 CB ASP A 39 0.273 -5.227 9.622 1.00 0.45 C ATOM 614 CG ASP A 39 1.496 -4.480 9.119 1.00 0.95 C ATOM 615 OD1 ASP A 39 1.841 -4.635 7.931 1.00 1.44 O ATOM 616 OD2 ASP A 39 2.115 -3.734 9.906 1.00 1.32 O ATOM 0 H ASP A 39 -0.324 -5.332 7.105 1.00 0.34 H new ATOM 0 HA ASP A 39 -1.865 -5.058 9.599 1.00 0.36 H new ATOM 0 HB2 ASP A 39 0.206 -5.119 10.705 1.00 0.45 H new ATOM 0 HB3 ASP A 39 0.391 -6.291 9.415 1.00 0.45 H new ATOM 621 N GLY A 40 -0.978 -2.671 7.717 1.00 0.28 N ATOM 622 CA GLY A 40 -1.058 -1.236 7.531 1.00 0.27 C ATOM 623 C GLY A 40 0.295 -0.554 7.571 1.00 0.29 C ATOM 624 O GLY A 40 0.384 0.635 7.881 1.00 0.39 O ATOM 0 H GLY A 40 -0.869 -3.207 6.856 1.00 0.28 H new ATOM 0 HA2 GLY A 40 -1.536 -1.026 6.574 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -1.696 -0.810 8.306 1.00 0.27 H new ATOM 628 N SER A 41 1.352 -1.304 7.278 1.00 0.29 N ATOM 629 CA SER A 41 2.684 -0.721 7.161 1.00 0.38 C ATOM 630 C SER A 41 2.792 0.110 5.887 1.00 0.32 C ATOM 631 O SER A 41 2.688 -0.420 4.782 1.00 0.32 O ATOM 632 CB SER A 41 3.755 -1.815 7.155 1.00 0.51 C ATOM 633 OG SER A 41 3.865 -2.439 8.423 1.00 0.93 O ATOM 0 H SER A 41 1.313 -2.311 7.118 1.00 0.29 H new ATOM 0 HA SER A 41 2.846 -0.074 8.023 1.00 0.38 H new ATOM 0 HB2 SER A 41 3.510 -2.562 6.400 1.00 0.51 H new ATOM 0 HB3 SER A 41 4.716 -1.384 6.876 1.00 0.51 H new ATOM 0 HG SER A 41 2.981 -2.483 8.844 1.00 0.93 H new ATOM 639 N VAL A 42 2.993 1.406 6.042 1.00 0.32 N ATOM 640 CA VAL A 42 3.127 2.289 4.898 1.00 0.28 C ATOM 641 C VAL A 42 4.594 2.460 4.542 1.00 0.29 C ATOM 642 O VAL A 42 5.403 2.908 5.352 1.00 0.35 O ATOM 643 CB VAL A 42 2.491 3.673 5.148 1.00 0.28 C ATOM 644 CG1 VAL A 42 2.650 4.571 3.926 1.00 0.26 C ATOM 645 CG2 VAL A 42 1.021 3.530 5.512 1.00 0.31 C ATOM 0 H VAL A 42 3.067 1.870 6.947 1.00 0.32 H new ATOM 0 HA VAL A 42 2.593 1.825 4.069 1.00 0.28 H new ATOM 0 HB VAL A 42 3.012 4.138 5.985 1.00 0.28 H new ATOM 0 HG11 VAL A 42 2.194 5.541 4.125 1.00 0.26 H new ATOM 0 HG12 VAL A 42 3.710 4.706 3.709 1.00 0.26 H new ATOM 0 HG13 VAL A 42 2.160 4.109 3.069 1.00 0.26 H new ATOM 0 HG21 VAL A 42 0.591 4.517 5.684 1.00 0.31 H new ATOM 0 HG22 VAL A 42 0.490 3.040 4.696 1.00 0.31 H new ATOM 0 HG23 VAL A 42 0.927 2.930 6.417 1.00 0.31 H new ATOM 655 N LEU A 43 4.933 2.074 3.333 1.00 0.28 N ATOM 656 CA LEU A 43 6.288 2.181 2.839 1.00 0.33 C ATOM 657 C LEU A 43 6.262 3.019 1.571 1.00 0.30 C ATOM 658 O LEU A 43 5.285 3.711 1.342 1.00 0.29 O ATOM 659 CB LEU A 43 6.843 0.779 2.607 1.00 0.44 C ATOM 660 CG LEU A 43 6.748 -0.130 3.839 1.00 0.51 C ATOM 661 CD1 LEU A 43 7.190 -1.541 3.508 1.00 0.63 C ATOM 662 CD2 LEU A 43 7.575 0.430 4.993 1.00 0.54 C ATOM 0 H LEU A 43 4.276 1.676 2.662 1.00 0.28 H new ATOM 0 HA LEU A 43 6.945 2.673 3.557 1.00 0.33 H new ATOM 0 HB2 LEU A 43 6.303 0.316 1.781 1.00 0.44 H new ATOM 0 HB3 LEU A 43 7.887 0.856 2.302 1.00 0.44 H new ATOM 0 HG LEU A 43 5.703 -0.163 4.149 1.00 0.51 H new ATOM 0 HD11 LEU A 43 7.113 -2.165 4.399 1.00 0.63 H new ATOM 0 HD12 LEU A 43 6.552 -1.948 2.724 1.00 0.63 H new ATOM 0 HD13 LEU A 43 8.224 -1.527 3.163 1.00 0.63 H new ATOM 0 HD21 LEU A 43 7.492 -0.232 5.855 1.00 0.54 H new ATOM 0 HD22 LEU A 43 8.620 0.502 4.690 1.00 0.54 H new ATOM 0 HD23 LEU A 43 7.205 1.420 5.259 1.00 0.54 H new ATOM 674 N CYS A 44 7.330 3.034 0.788 1.00 0.40 N ATOM 675 CA CYS A 44 7.283 3.756 -0.500 1.00 0.46 C ATOM 676 C CYS A 44 8.134 3.077 -1.571 1.00 0.61 C ATOM 677 O CYS A 44 8.725 2.023 -1.340 1.00 0.71 O ATOM 678 CB CYS A 44 7.697 5.236 -0.361 1.00 0.52 C ATOM 679 SG CYS A 44 9.474 5.544 -0.262 1.00 0.71 S ATOM 0 H CYS A 44 8.216 2.576 1.000 1.00 0.40 H new ATOM 0 HA CYS A 44 6.241 3.725 -0.817 1.00 0.46 H new ATOM 0 HB2 CYS A 44 7.298 5.788 -1.212 1.00 0.52 H new ATOM 0 HB3 CYS A 44 7.225 5.644 0.533 1.00 0.52 H new ATOM 0 HG CYS A 44 9.722 6.333 0.741 1.00 0.71 H new ATOM 684 N GLY A 45 8.191 3.708 -2.732 1.00 0.68 N ATOM 685 CA GLY A 45 8.935 3.192 -3.857 1.00 0.87 C ATOM 686 C GLY A 45 9.159 4.278 -4.884 1.00 1.23 C ATOM 687 O GLY A 45 8.241 4.636 -5.629 1.00 2.12 O ATOM 0 H GLY A 45 7.720 4.594 -2.916 1.00 0.68 H new ATOM 0 HA2 GLY A 45 9.894 2.800 -3.518 1.00 0.87 H new ATOM 0 HA3 GLY A 45 8.393 2.361 -4.309 1.00 0.87 H new ATOM 811 N GLY A 53 14.204 10.145 -1.257 1.00 1.40 N ATOM 812 CA GLY A 53 14.378 8.888 -0.554 1.00 1.25 C ATOM 813 C GLY A 53 13.854 7.700 -1.337 1.00 1.07 C ATOM 814 O GLY A 53 13.933 7.674 -2.565 1.00 1.28 O ATOM 0 HA2 GLY A 53 15.437 8.739 -0.342 1.00 1.25 H new ATOM 0 HA3 GLY A 53 13.865 8.940 0.406 1.00 1.25 H new ATOM 818 N GLY A 54 13.330 6.714 -0.619 1.00 0.86 N ATOM 819 CA GLY A 54 12.768 5.532 -1.252 1.00 0.86 C ATOM 820 C GLY A 54 13.656 4.314 -1.075 1.00 0.91 C ATOM 821 O GLY A 54 14.011 3.648 -2.044 1.00 1.55 O ATOM 0 H GLY A 54 13.283 6.711 0.400 1.00 0.86 H new ATOM 0 HA2 GLY A 54 11.784 5.328 -0.829 1.00 0.86 H new ATOM 0 HA3 GLY A 54 12.624 5.724 -2.315 1.00 0.86 H new ATOM 825 N ASN A 55 14.005 4.032 0.180 1.00 0.89 N ATOM 826 CA ASN A 55 14.884 2.912 0.529 1.00 0.87 C ATOM 827 C ASN A 55 14.144 1.580 0.445 1.00 1.01 C ATOM 828 O ASN A 55 12.942 1.546 0.178 1.00 1.21 O ATOM 829 CB ASN A 55 15.433 3.104 1.946 1.00 0.83 C ATOM 830 CG ASN A 55 16.200 4.402 2.119 1.00 1.45 C ATOM 831 OD1 ASN A 55 16.858 4.863 1.065 1.00 2.39 O flip ATOM 832 ND2 ASN A 55 16.198 4.991 3.200 1.00 1.63 N flip ATOM 0 H ASN A 55 13.687 4.572 0.985 1.00 0.89 H new ATOM 0 HA ASN A 55 15.706 2.893 -0.186 1.00 0.87 H new ATOM 0 HB2 ASN A 55 14.606 3.081 2.655 1.00 0.83 H new ATOM 0 HB3 ASN A 55 16.087 2.267 2.192 1.00 0.83 H new ATOM 0 HD21 ASN A 55 15.680 4.606 3.990 1.00 1.63 H new ATOM 0 HD22 ASN A 55 16.714 5.864 3.306 1.00 1.63 H new ATOM 839 N GLY A 56 14.859 0.492 0.710 1.00 1.23 N ATOM 840 CA GLY A 56 14.296 -0.837 0.552 1.00 1.44 C ATOM 841 C GLY A 56 13.594 -1.347 1.799 1.00 1.14 C ATOM 842 O GLY A 56 13.997 -2.350 2.382 1.00 1.07 O ATOM 0 H GLY A 56 15.826 0.507 1.034 1.00 1.23 H new ATOM 0 HA2 GLY A 56 13.588 -0.827 -0.276 1.00 1.44 H new ATOM 0 HA3 GLY A 56 15.092 -1.531 0.283 1.00 1.44 H new ATOM 846 N HIS A 57 12.539 -0.655 2.202 1.00 1.06 N ATOM 847 CA HIS A 57 11.714 -1.085 3.333 1.00 0.77 C ATOM 848 C HIS A 57 10.792 -2.241 2.952 1.00 0.66 C ATOM 849 O HIS A 57 10.363 -3.002 3.816 1.00 0.55 O ATOM 850 CB HIS A 57 10.885 0.074 3.926 1.00 0.68 C ATOM 851 CG HIS A 57 10.498 1.159 2.984 1.00 0.72 C ATOM 852 ND1 HIS A 57 10.511 1.059 1.611 1.00 1.73 N ATOM 853 CD2 HIS A 57 10.096 2.422 3.267 1.00 0.82 C ATOM 854 CE1 HIS A 57 10.134 2.233 1.119 1.00 1.92 C ATOM 855 NE2 HIS A 57 9.864 3.079 2.083 1.00 1.19 N ATOM 0 H HIS A 57 12.229 0.212 1.763 1.00 1.06 H new ATOM 0 HA HIS A 57 12.408 -1.430 4.099 1.00 0.77 H new ATOM 0 HB2 HIS A 57 9.976 -0.343 4.359 1.00 0.68 H new ATOM 0 HB3 HIS A 57 11.453 0.518 4.743 1.00 0.68 H new ATOM 0 HD2 HIS A 57 9.978 2.841 4.255 1.00 0.82 H new ATOM 0 HE1 HIS A 57 10.060 2.460 0.066 1.00 1.92 H new ATOM 0 HE2 HIS A 57 9.543 4.041 1.975 1.00 1.19 H new ATOM 863 N ALA A 58 10.482 -2.370 1.664 1.00 0.78 N ATOM 864 CA ALA A 58 9.572 -3.418 1.203 1.00 0.75 C ATOM 865 C ALA A 58 10.125 -4.804 1.515 1.00 0.66 C ATOM 866 O ALA A 58 9.404 -5.674 2.006 1.00 0.54 O ATOM 867 CB ALA A 58 9.306 -3.280 -0.287 1.00 0.97 C ATOM 0 H ALA A 58 10.844 -1.767 0.925 1.00 0.78 H new ATOM 0 HA ALA A 58 8.630 -3.300 1.739 1.00 0.75 H new ATOM 0 HB1 ALA A 58 8.627 -4.069 -0.610 1.00 0.97 H new ATOM 0 HB2 ALA A 58 8.855 -2.308 -0.488 1.00 0.97 H new ATOM 0 HB3 ALA A 58 10.245 -3.364 -0.834 1.00 0.97 H new ATOM 873 N LEU A 59 11.411 -4.997 1.240 1.00 0.78 N ATOM 874 CA LEU A 59 12.066 -6.270 1.513 1.00 0.79 C ATOM 875 C LEU A 59 12.090 -6.543 3.006 1.00 0.66 C ATOM 876 O LEU A 59 11.772 -7.639 3.457 1.00 0.63 O ATOM 877 CB LEU A 59 13.474 -6.284 0.917 1.00 0.98 C ATOM 878 CG LEU A 59 14.416 -5.162 1.342 1.00 1.75 C ATOM 879 CD1 LEU A 59 15.253 -5.616 2.519 1.00 2.28 C ATOM 880 CD2 LEU A 59 15.305 -4.742 0.180 1.00 2.31 C ATOM 0 H LEU A 59 12.019 -4.289 0.829 1.00 0.78 H new ATOM 0 HA LEU A 59 11.497 -7.069 1.038 1.00 0.79 H new ATOM 0 HB2 LEU A 59 13.941 -7.235 1.174 1.00 0.98 H new ATOM 0 HB3 LEU A 59 13.383 -6.257 -0.169 1.00 0.98 H new ATOM 0 HG LEU A 59 13.825 -4.297 1.643 1.00 1.75 H new ATOM 0 HD11 LEU A 59 15.925 -4.812 2.820 1.00 2.28 H new ATOM 0 HD12 LEU A 59 14.599 -5.874 3.352 1.00 2.28 H new ATOM 0 HD13 LEU A 59 15.838 -6.490 2.234 1.00 2.28 H new ATOM 0 HD21 LEU A 59 15.970 -3.941 0.502 1.00 2.31 H new ATOM 0 HD22 LEU A 59 15.898 -5.595 -0.151 1.00 2.31 H new ATOM 0 HD23 LEU A 59 14.685 -4.389 -0.644 1.00 2.31 H new ATOM 892 N GLU A 60 12.471 -5.529 3.753 1.00 0.66 N ATOM 893 CA GLU A 60 12.408 -5.558 5.213 1.00 0.65 C ATOM 894 C GLU A 60 11.028 -5.988 5.709 1.00 0.51 C ATOM 895 O GLU A 60 10.918 -6.780 6.639 1.00 0.57 O ATOM 896 CB GLU A 60 12.759 -4.189 5.784 1.00 0.76 C ATOM 897 CG GLU A 60 14.221 -3.824 5.619 1.00 0.99 C ATOM 898 CD GLU A 60 15.135 -4.751 6.394 1.00 1.98 C ATOM 899 OE1 GLU A 60 15.092 -4.731 7.643 1.00 2.64 O ATOM 900 OE2 GLU A 60 15.898 -5.507 5.759 1.00 2.58 O ATOM 0 H GLU A 60 12.835 -4.656 3.372 1.00 0.66 H new ATOM 0 HA GLU A 60 13.135 -6.293 5.559 1.00 0.65 H new ATOM 0 HB2 GLU A 60 12.146 -3.432 5.295 1.00 0.76 H new ATOM 0 HB3 GLU A 60 12.505 -4.170 6.844 1.00 0.76 H new ATOM 0 HG2 GLU A 60 14.485 -3.857 4.562 1.00 0.99 H new ATOM 0 HG3 GLU A 60 14.378 -2.799 5.954 1.00 0.99 H new ATOM 907 N HIS A 61 9.974 -5.478 5.081 1.00 0.43 N ATOM 908 CA HIS A 61 8.619 -5.834 5.482 1.00 0.41 C ATOM 909 C HIS A 61 8.332 -7.299 5.163 1.00 0.38 C ATOM 910 O HIS A 61 7.536 -7.948 5.844 1.00 0.40 O ATOM 911 CB HIS A 61 7.584 -4.930 4.803 1.00 0.57 C ATOM 912 CG HIS A 61 6.195 -5.133 5.330 1.00 0.94 C ATOM 913 ND1 HIS A 61 5.827 -4.787 6.609 1.00 1.54 N ATOM 914 CD2 HIS A 61 5.091 -5.664 4.755 1.00 1.45 C ATOM 915 CE1 HIS A 61 4.563 -5.103 6.804 1.00 1.72 C ATOM 916 NE2 HIS A 61 4.087 -5.635 5.694 1.00 1.60 N ATOM 0 H HIS A 61 10.031 -4.824 4.301 1.00 0.43 H new ATOM 0 HA HIS A 61 8.542 -5.688 6.559 1.00 0.41 H new ATOM 0 HB2 HIS A 61 7.872 -3.888 4.944 1.00 0.57 H new ATOM 0 HB3 HIS A 61 7.591 -5.121 3.730 1.00 0.57 H new ATOM 0 HD1 HIS A 61 6.438 -4.353 7.300 1.00 1.54 H new ATOM 0 HD2 HIS A 61 5.013 -6.041 3.746 1.00 1.45 H new ATOM 0 HE1 HIS A 61 4.009 -4.952 7.719 1.00 1.72 H new ATOM 925 N TYR A 62 8.976 -7.813 4.127 1.00 0.44 N ATOM 926 CA TYR A 62 8.857 -9.220 3.773 1.00 0.54 C ATOM 927 C TYR A 62 9.648 -10.073 4.765 1.00 0.59 C ATOM 928 O TYR A 62 9.318 -11.229 5.015 1.00 0.67 O ATOM 929 CB TYR A 62 9.356 -9.451 2.344 1.00 0.69 C ATOM 930 CG TYR A 62 9.055 -10.832 1.800 1.00 0.97 C ATOM 931 CD1 TYR A 62 7.814 -11.133 1.251 1.00 1.08 C ATOM 932 CD2 TYR A 62 10.014 -11.836 1.843 1.00 1.39 C ATOM 933 CE1 TYR A 62 7.539 -12.397 0.761 1.00 1.55 C ATOM 934 CE2 TYR A 62 9.747 -13.099 1.353 1.00 1.89 C ATOM 935 CZ TYR A 62 8.496 -13.362 0.787 1.00 1.97 C ATOM 936 OH TYR A 62 8.240 -14.637 0.333 1.00 2.50 O ATOM 0 H TYR A 62 9.589 -7.275 3.514 1.00 0.44 H new ATOM 0 HA TYR A 62 7.808 -9.512 3.820 1.00 0.54 H new ATOM 0 HB2 TYR A 62 8.904 -8.707 1.688 1.00 0.69 H new ATOM 0 HB3 TYR A 62 10.433 -9.288 2.316 1.00 0.69 H new ATOM 0 HD1 TYR A 62 7.053 -10.368 1.206 1.00 1.08 H new ATOM 0 HD2 TYR A 62 10.985 -11.625 2.267 1.00 1.39 H new ATOM 0 HE1 TYR A 62 6.562 -12.618 0.357 1.00 1.55 H new ATOM 0 HE2 TYR A 62 10.496 -13.875 1.406 1.00 1.89 H new ATOM 0 HH TYR A 62 9.045 -15.187 0.430 1.00 2.50 H new ATOM 946 N ARG A 63 10.693 -9.480 5.329 1.00 0.60 N ATOM 947 CA ARG A 63 11.491 -10.134 6.358 1.00 0.73 C ATOM 948 C ARG A 63 10.752 -10.127 7.692 1.00 0.75 C ATOM 949 O ARG A 63 10.770 -11.109 8.432 1.00 0.87 O ATOM 950 CB ARG A 63 12.835 -9.430 6.516 1.00 0.80 C ATOM 951 CG ARG A 63 13.679 -9.471 5.259 1.00 1.19 C ATOM 952 CD ARG A 63 14.989 -8.724 5.444 1.00 1.33 C ATOM 953 NE ARG A 63 15.916 -9.423 6.336 1.00 1.71 N ATOM 954 CZ ARG A 63 17.073 -8.909 6.759 1.00 2.01 C ATOM 955 NH1 ARG A 63 17.387 -7.643 6.498 1.00 1.88 N ATOM 956 NH2 ARG A 63 17.895 -9.653 7.487 1.00 2.76 N ATOM 0 H ARG A 63 11.009 -8.540 5.089 1.00 0.60 H new ATOM 0 HA ARG A 63 11.661 -11.166 6.051 1.00 0.73 H new ATOM 0 HB2 ARG A 63 12.663 -8.391 6.797 1.00 0.80 H new ATOM 0 HB3 ARG A 63 13.388 -9.894 7.333 1.00 0.80 H new ATOM 0 HG2 ARG A 63 13.885 -10.507 4.991 1.00 1.19 H new ATOM 0 HG3 ARG A 63 13.122 -9.032 4.431 1.00 1.19 H new ATOM 0 HD2 ARG A 63 15.463 -8.583 4.472 1.00 1.33 H new ATOM 0 HD3 ARG A 63 14.783 -7.732 5.845 1.00 1.33 H new ATOM 0 HE ARG A 63 15.663 -10.359 6.653 1.00 1.71 H new ATOM 0 HH11 ARG A 63 16.741 -7.056 5.970 1.00 1.88 H new ATOM 0 HH12 ARG A 63 18.274 -7.259 6.826 1.00 1.88 H new ATOM 0 HH21 ARG A 63 17.642 -10.613 7.721 1.00 2.76 H new ATOM 0 HH22 ARG A 63 18.780 -9.265 7.813 1.00 2.76 H new ATOM 970 N ASP A 64 10.113 -9.000 7.986 1.00 0.68 N ATOM 971 CA ASP A 64 9.413 -8.800 9.252 1.00 0.75 C ATOM 972 C ASP A 64 8.080 -9.546 9.277 1.00 0.75 C ATOM 973 O ASP A 64 7.855 -10.406 10.127 1.00 0.89 O ATOM 974 CB ASP A 64 9.173 -7.304 9.478 1.00 0.75 C ATOM 975 CG ASP A 64 8.646 -6.981 10.864 1.00 1.18 C ATOM 976 OD1 ASP A 64 7.426 -7.110 11.092 1.00 1.85 O ATOM 977 OD2 ASP A 64 9.449 -6.570 11.729 1.00 1.43 O ATOM 0 H ASP A 64 10.065 -8.200 7.355 1.00 0.68 H new ATOM 0 HA ASP A 64 10.038 -9.199 10.051 1.00 0.75 H new ATOM 0 HB2 ASP A 64 10.107 -6.765 9.318 1.00 0.75 H new ATOM 0 HB3 ASP A 64 8.464 -6.941 8.734 1.00 0.75 H new ATOM 982 N MET A 65 7.205 -9.228 8.332 1.00 0.63 N ATOM 983 CA MET A 65 5.858 -9.791 8.319 1.00 0.67 C ATOM 984 C MET A 65 5.667 -10.786 7.181 1.00 0.65 C ATOM 985 O MET A 65 4.979 -11.794 7.334 1.00 0.80 O ATOM 986 CB MET A 65 4.812 -8.679 8.222 1.00 0.68 C ATOM 987 CG MET A 65 4.640 -7.899 9.514 1.00 0.75 C ATOM 988 SD MET A 65 4.028 -8.930 10.861 1.00 1.35 S ATOM 989 CE MET A 65 3.938 -7.727 12.187 1.00 1.84 C ATOM 0 H MET A 65 7.402 -8.585 7.565 1.00 0.63 H new ATOM 0 HA MET A 65 5.725 -10.329 9.258 1.00 0.67 H new ATOM 0 HB2 MET A 65 5.097 -7.991 7.426 1.00 0.68 H new ATOM 0 HB3 MET A 65 3.854 -9.115 7.939 1.00 0.68 H new ATOM 0 HG2 MET A 65 5.596 -7.460 9.801 1.00 0.75 H new ATOM 0 HG3 MET A 65 3.948 -7.074 9.348 1.00 0.75 H new ATOM 0 HE1 MET A 65 3.575 -8.211 13.093 1.00 1.84 H new ATOM 0 HE2 MET A 65 4.929 -7.312 12.370 1.00 1.84 H new ATOM 0 HE3 MET A 65 3.255 -6.925 11.905 1.00 1.84 H new ATOM 999 N GLY A 66 6.270 -10.493 6.038 1.00 0.56 N ATOM 1000 CA GLY A 66 6.198 -11.402 4.907 1.00 0.64 C ATOM 1001 C GLY A 66 4.982 -11.170 4.031 1.00 0.70 C ATOM 1002 O GLY A 66 4.696 -11.966 3.141 1.00 1.36 O ATOM 0 H GLY A 66 6.808 -9.643 5.871 1.00 0.56 H new ATOM 0 HA2 GLY A 66 7.099 -11.293 4.303 1.00 0.64 H new ATOM 0 HA3 GLY A 66 6.183 -12.428 5.274 1.00 0.64 H new ATOM 1006 N TYR A 67 4.268 -10.081 4.280 1.00 0.55 N ATOM 1007 CA TYR A 67 3.073 -9.757 3.508 1.00 0.49 C ATOM 1008 C TYR A 67 3.423 -8.871 2.316 1.00 0.53 C ATOM 1009 O TYR A 67 3.716 -7.683 2.468 1.00 0.82 O ATOM 1010 CB TYR A 67 2.033 -9.089 4.404 1.00 0.64 C ATOM 1011 CG TYR A 67 1.486 -10.027 5.458 1.00 1.61 C ATOM 1012 CD1 TYR A 67 0.514 -10.963 5.136 1.00 2.31 C ATOM 1013 CD2 TYR A 67 1.948 -9.985 6.766 1.00 2.04 C ATOM 1014 CE1 TYR A 67 0.017 -11.830 6.086 1.00 3.28 C ATOM 1015 CE2 TYR A 67 1.454 -10.849 7.725 1.00 2.98 C ATOM 1016 CZ TYR A 67 0.488 -11.769 7.378 1.00 3.57 C ATOM 1017 OH TYR A 67 -0.004 -12.637 8.325 1.00 4.55 O ATOM 0 H TYR A 67 4.494 -9.406 5.010 1.00 0.55 H new ATOM 0 HA TYR A 67 2.647 -10.682 3.119 1.00 0.49 H new ATOM 0 HB2 TYR A 67 2.481 -8.223 4.891 1.00 0.64 H new ATOM 0 HB3 TYR A 67 1.212 -8.720 3.789 1.00 0.64 H new ATOM 0 HD1 TYR A 67 0.140 -11.013 4.124 1.00 2.31 H new ATOM 0 HD2 TYR A 67 2.706 -9.266 7.039 1.00 2.04 H new ATOM 0 HE1 TYR A 67 -0.738 -12.554 5.818 1.00 3.28 H new ATOM 0 HE2 TYR A 67 1.822 -10.804 8.739 1.00 2.98 H new ATOM 0 HH TYR A 67 0.432 -12.464 9.185 1.00 4.55 H new ATOM 1027 N PRO A 68 3.384 -9.460 1.115 1.00 0.46 N ATOM 1028 CA PRO A 68 3.875 -8.857 -0.123 1.00 0.59 C ATOM 1029 C PRO A 68 2.817 -8.075 -0.907 1.00 0.49 C ATOM 1030 O PRO A 68 2.693 -8.251 -2.119 1.00 0.64 O ATOM 1031 CB PRO A 68 4.303 -10.087 -0.940 1.00 0.80 C ATOM 1032 CG PRO A 68 3.856 -11.294 -0.166 1.00 0.88 C ATOM 1033 CD PRO A 68 2.876 -10.801 0.851 1.00 0.59 C ATOM 0 HA PRO A 68 4.656 -8.125 0.082 1.00 0.59 H new ATOM 0 HB2 PRO A 68 3.848 -10.072 -1.930 1.00 0.80 H new ATOM 0 HB3 PRO A 68 5.383 -10.098 -1.086 1.00 0.80 H new ATOM 0 HG2 PRO A 68 3.395 -12.030 -0.825 1.00 0.88 H new ATOM 0 HG3 PRO A 68 4.703 -11.783 0.315 1.00 0.88 H new ATOM 0 HD2 PRO A 68 1.857 -10.785 0.465 1.00 0.59 H new ATOM 0 HD3 PRO A 68 2.868 -11.421 1.748 1.00 0.59 H new ATOM 1041 N LEU A 69 2.076 -7.201 -0.239 1.00 0.34 N ATOM 1042 CA LEU A 69 1.007 -6.450 -0.904 1.00 0.28 C ATOM 1043 C LEU A 69 0.861 -5.060 -0.306 1.00 0.24 C ATOM 1044 O LEU A 69 0.835 -4.907 0.919 1.00 0.27 O ATOM 1045 CB LEU A 69 -0.314 -7.206 -0.777 1.00 0.34 C ATOM 1046 CG LEU A 69 -0.365 -8.550 -1.502 1.00 0.43 C ATOM 1047 CD1 LEU A 69 -1.301 -9.493 -0.777 1.00 0.61 C ATOM 1048 CD2 LEU A 69 -0.802 -8.362 -2.946 1.00 0.43 C ATOM 0 H LEU A 69 2.189 -6.992 0.753 1.00 0.34 H new ATOM 0 HA LEU A 69 1.269 -6.345 -1.957 1.00 0.28 H new ATOM 0 HB2 LEU A 69 -0.518 -7.373 0.280 1.00 0.34 H new ATOM 0 HB3 LEU A 69 -1.115 -6.574 -1.160 1.00 0.34 H new ATOM 0 HG LEU A 69 0.634 -8.986 -1.506 1.00 0.43 H new ATOM 0 HD11 LEU A 69 -1.332 -10.449 -1.300 1.00 0.61 H new ATOM 0 HD12 LEU A 69 -0.944 -9.648 0.241 1.00 0.61 H new ATOM 0 HD13 LEU A 69 -2.302 -9.062 -0.749 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -0.832 -9.330 -3.446 1.00 0.43 H new ATOM 0 HD22 LEU A 69 -1.794 -7.910 -2.970 1.00 0.43 H new ATOM 0 HD23 LEU A 69 -0.094 -7.711 -3.459 1.00 0.43 H new ATOM 1060 N ALA A 70 0.765 -4.048 -1.164 1.00 0.22 N ATOM 1061 CA ALA A 70 0.626 -2.678 -0.693 1.00 0.24 C ATOM 1062 C ALA A 70 0.013 -1.758 -1.753 1.00 0.27 C ATOM 1063 O ALA A 70 0.252 -1.918 -2.949 1.00 0.32 O ATOM 1064 CB ALA A 70 1.977 -2.149 -0.251 1.00 0.27 C ATOM 0 H ALA A 70 0.781 -4.151 -2.179 1.00 0.22 H new ATOM 0 HA ALA A 70 -0.060 -2.687 0.154 1.00 0.24 H new ATOM 0 HB1 ALA A 70 1.869 -1.123 0.101 1.00 0.27 H new ATOM 0 HB2 ALA A 70 2.365 -2.770 0.556 1.00 0.27 H new ATOM 0 HB3 ALA A 70 2.670 -2.173 -1.092 1.00 0.27 H new ATOM 1070 N VAL A 71 -0.773 -0.792 -1.285 1.00 0.26 N ATOM 1071 CA VAL A 71 -1.445 0.172 -2.153 1.00 0.29 C ATOM 1072 C VAL A 71 -0.540 1.357 -2.453 1.00 0.30 C ATOM 1073 O VAL A 71 0.011 1.972 -1.542 1.00 0.29 O ATOM 1074 CB VAL A 71 -2.755 0.701 -1.509 1.00 0.31 C ATOM 1075 CG1 VAL A 71 -3.390 1.788 -2.367 1.00 0.36 C ATOM 1076 CG2 VAL A 71 -3.741 -0.433 -1.301 1.00 0.32 C ATOM 0 H VAL A 71 -0.962 -0.655 -0.292 1.00 0.26 H new ATOM 0 HA VAL A 71 -1.686 -0.352 -3.078 1.00 0.29 H new ATOM 0 HB VAL A 71 -2.498 1.132 -0.541 1.00 0.31 H new ATOM 0 HG11 VAL A 71 -4.305 2.139 -1.891 1.00 0.36 H new ATOM 0 HG12 VAL A 71 -2.694 2.620 -2.474 1.00 0.36 H new ATOM 0 HG13 VAL A 71 -3.625 1.383 -3.351 1.00 0.36 H new ATOM 0 HG21 VAL A 71 -4.653 -0.044 -0.849 1.00 0.32 H new ATOM 0 HG22 VAL A 71 -3.979 -0.889 -2.262 1.00 0.32 H new ATOM 0 HG23 VAL A 71 -3.301 -1.182 -0.643 1.00 0.32 H new ATOM 1086 N LYS A 72 -0.404 1.679 -3.727 1.00 0.33 N ATOM 1087 CA LYS A 72 0.383 2.822 -4.147 1.00 0.36 C ATOM 1088 C LYS A 72 -0.361 4.110 -3.815 1.00 0.37 C ATOM 1089 O LYS A 72 -1.250 4.539 -4.550 1.00 0.42 O ATOM 1090 CB LYS A 72 0.670 2.754 -5.650 1.00 0.43 C ATOM 1091 CG LYS A 72 1.497 3.914 -6.180 1.00 0.50 C ATOM 1092 CD LYS A 72 2.981 3.707 -5.953 1.00 0.89 C ATOM 1093 CE LYS A 72 3.786 4.799 -6.630 1.00 0.91 C ATOM 1094 NZ LYS A 72 5.219 4.425 -6.786 1.00 1.54 N ATOM 0 H LYS A 72 -0.833 1.160 -4.493 1.00 0.33 H new ATOM 0 HA LYS A 72 1.333 2.808 -3.613 1.00 0.36 H new ATOM 0 HB2 LYS A 72 1.191 1.822 -5.867 1.00 0.43 H new ATOM 0 HB3 LYS A 72 -0.277 2.722 -6.188 1.00 0.43 H new ATOM 0 HG2 LYS A 72 1.307 4.036 -7.246 1.00 0.50 H new ATOM 0 HG3 LYS A 72 1.181 4.836 -5.692 1.00 0.50 H new ATOM 0 HD2 LYS A 72 3.193 3.702 -4.884 1.00 0.89 H new ATOM 0 HD3 LYS A 72 3.281 2.734 -6.342 1.00 0.89 H new ATOM 0 HE2 LYS A 72 3.358 5.009 -7.610 1.00 0.91 H new ATOM 0 HE3 LYS A 72 3.713 5.717 -6.047 1.00 0.91 H new ATOM 0 HZ1 LYS A 72 5.798 5.287 -6.843 1.00 1.54 H new ATOM 0 HZ2 LYS A 72 5.521 3.858 -5.968 1.00 1.54 H new ATOM 0 HZ3 LYS A 72 5.340 3.868 -7.656 1.00 1.54 H new ATOM 1108 N LEU A 73 -0.002 4.715 -2.704 1.00 0.33 N ATOM 1109 CA LEU A 73 -0.645 5.932 -2.259 1.00 0.33 C ATOM 1110 C LEU A 73 -0.259 7.088 -3.162 1.00 0.35 C ATOM 1111 O LEU A 73 0.833 7.111 -3.732 1.00 0.38 O ATOM 1112 CB LEU A 73 -0.252 6.226 -0.822 1.00 0.32 C ATOM 1113 CG LEU A 73 -0.419 5.043 0.129 1.00 0.32 C ATOM 1114 CD1 LEU A 73 0.272 5.316 1.450 1.00 0.31 C ATOM 1115 CD2 LEU A 73 -1.894 4.750 0.350 1.00 0.35 C ATOM 0 H LEU A 73 0.738 4.380 -2.087 1.00 0.33 H new ATOM 0 HA LEU A 73 -1.726 5.803 -2.308 1.00 0.33 H new ATOM 0 HB2 LEU A 73 0.789 6.550 -0.801 1.00 0.32 H new ATOM 0 HB3 LEU A 73 -0.853 7.059 -0.456 1.00 0.32 H new ATOM 0 HG LEU A 73 0.046 4.168 -0.324 1.00 0.32 H new ATOM 0 HD11 LEU A 73 0.141 4.461 2.113 1.00 0.31 H new ATOM 0 HD12 LEU A 73 1.335 5.481 1.277 1.00 0.31 H new ATOM 0 HD13 LEU A 73 -0.163 6.203 1.912 1.00 0.31 H new ATOM 0 HD21 LEU A 73 -1.999 3.904 1.030 1.00 0.35 H new ATOM 0 HD22 LEU A 73 -2.378 5.626 0.782 1.00 0.35 H new ATOM 0 HD23 LEU A 73 -2.364 4.509 -0.604 1.00 0.35 H new ATOM 1127 N GLY A 74 -1.159 8.039 -3.280 1.00 0.37 N ATOM 1128 CA GLY A 74 -0.970 9.132 -4.212 1.00 0.41 C ATOM 1129 C GLY A 74 -1.709 8.902 -5.518 1.00 0.43 C ATOM 1130 O GLY A 74 -2.029 9.851 -6.229 1.00 0.49 O ATOM 0 H GLY A 74 -2.027 8.079 -2.745 1.00 0.37 H new ATOM 0 HA2 GLY A 74 -1.318 10.060 -3.758 1.00 0.41 H new ATOM 0 HA3 GLY A 74 0.094 9.255 -4.415 1.00 0.41 H new ATOM 1134 N THR A 75 -2.005 7.643 -5.825 1.00 0.43 N ATOM 1135 CA THR A 75 -2.712 7.312 -7.060 1.00 0.47 C ATOM 1136 C THR A 75 -4.183 7.050 -6.769 1.00 0.43 C ATOM 1137 O THR A 75 -4.935 6.582 -7.624 1.00 0.43 O ATOM 1138 CB THR A 75 -2.112 6.073 -7.760 1.00 0.50 C ATOM 1139 OG1 THR A 75 -2.265 4.912 -6.930 1.00 0.44 O ATOM 1140 CG2 THR A 75 -0.635 6.280 -8.086 1.00 0.62 C ATOM 0 H THR A 75 -1.769 6.840 -5.242 1.00 0.43 H new ATOM 0 HA THR A 75 -2.605 8.167 -7.727 1.00 0.47 H new ATOM 0 HB THR A 75 -2.652 5.926 -8.695 1.00 0.50 H new ATOM 0 HG1 THR A 75 -1.620 4.949 -6.193 1.00 0.44 H new ATOM 0 HG21 THR A 75 -0.243 5.390 -8.578 1.00 0.62 H new ATOM 0 HG22 THR A 75 -0.525 7.139 -8.748 1.00 0.62 H new ATOM 0 HG23 THR A 75 -0.081 6.459 -7.165 1.00 0.62 H new ATOM 1148 N ILE A 76 -4.583 7.364 -5.547 1.00 0.44 N ATOM 1149 CA ILE A 76 -5.929 7.095 -5.084 1.00 0.43 C ATOM 1150 C ILE A 76 -6.923 8.088 -5.674 1.00 0.46 C ATOM 1151 O ILE A 76 -6.886 9.283 -5.380 1.00 0.53 O ATOM 1152 CB ILE A 76 -5.982 7.117 -3.544 1.00 0.45 C ATOM 1153 CG1 ILE A 76 -5.138 5.974 -2.988 1.00 0.45 C ATOM 1154 CG2 ILE A 76 -7.418 7.012 -3.050 1.00 0.49 C ATOM 1155 CD1 ILE A 76 -4.462 6.311 -1.686 1.00 0.47 C ATOM 0 H ILE A 76 -3.984 7.811 -4.853 1.00 0.44 H new ATOM 0 HA ILE A 76 -6.212 6.100 -5.426 1.00 0.43 H new ATOM 0 HB ILE A 76 -5.577 8.065 -3.190 1.00 0.45 H new ATOM 0 HG12 ILE A 76 -5.773 5.100 -2.844 1.00 0.45 H new ATOM 0 HG13 ILE A 76 -4.380 5.700 -3.722 1.00 0.45 H new ATOM 0 HG21 ILE A 76 -7.430 7.030 -1.960 1.00 0.49 H new ATOM 0 HG22 ILE A 76 -7.997 7.852 -3.433 1.00 0.49 H new ATOM 0 HG23 ILE A 76 -7.857 6.079 -3.403 1.00 0.49 H new ATOM 0 HD11 ILE A 76 -3.879 5.455 -1.347 1.00 0.47 H new ATOM 0 HD12 ILE A 76 -3.802 7.166 -1.830 1.00 0.47 H new ATOM 0 HD13 ILE A 76 -5.216 6.556 -0.938 1.00 0.47 H new ATOM 1167 N THR A 77 -7.794 7.571 -6.524 1.00 0.45 N ATOM 1168 CA THR A 77 -8.821 8.359 -7.178 1.00 0.50 C ATOM 1169 C THR A 77 -10.196 7.868 -6.744 1.00 0.56 C ATOM 1170 O THR A 77 -10.286 6.814 -6.115 1.00 0.62 O ATOM 1171 CB THR A 77 -8.693 8.265 -8.717 1.00 0.51 C ATOM 1172 OG1 THR A 77 -8.689 6.894 -9.140 1.00 1.48 O ATOM 1173 CG2 THR A 77 -7.423 8.945 -9.180 1.00 1.27 C ATOM 0 H THR A 77 -7.807 6.584 -6.781 1.00 0.45 H new ATOM 0 HA THR A 77 -8.695 9.402 -6.887 1.00 0.50 H new ATOM 0 HB THR A 77 -9.551 8.768 -9.162 1.00 0.51 H new ATOM 0 HG1 THR A 77 -8.395 6.324 -8.399 1.00 1.48 H new ATOM 0 HG21 THR A 77 -7.346 8.871 -10.265 1.00 1.27 H new ATOM 0 HG22 THR A 77 -7.445 9.995 -8.888 1.00 1.27 H new ATOM 0 HG23 THR A 77 -6.562 8.459 -8.721 1.00 1.27 H new ATOM 1181 N PRO A 78 -11.280 8.605 -7.041 1.00 0.65 N ATOM 1182 CA PRO A 78 -12.637 8.153 -6.715 1.00 0.73 C ATOM 1183 C PRO A 78 -12.935 6.769 -7.295 1.00 0.75 C ATOM 1184 O PRO A 78 -13.647 5.964 -6.687 1.00 0.98 O ATOM 1185 CB PRO A 78 -13.545 9.213 -7.350 1.00 0.88 C ATOM 1186 CG PRO A 78 -12.667 9.983 -8.281 1.00 1.04 C ATOM 1187 CD PRO A 78 -11.290 9.926 -7.690 1.00 0.74 C ATOM 0 HA PRO A 78 -12.783 8.053 -5.640 1.00 0.73 H new ATOM 0 HB2 PRO A 78 -14.374 8.750 -7.885 1.00 0.88 H new ATOM 0 HB3 PRO A 78 -13.979 9.864 -6.591 1.00 0.88 H new ATOM 0 HG2 PRO A 78 -12.681 9.548 -9.280 1.00 1.04 H new ATOM 0 HG3 PRO A 78 -13.008 11.014 -8.377 1.00 1.04 H new ATOM 0 HD2 PRO A 78 -10.516 10.010 -8.453 1.00 0.74 H new ATOM 0 HD3 PRO A 78 -11.121 10.731 -6.975 1.00 0.74 H new ATOM 1195 N ASP A 79 -12.365 6.494 -8.465 1.00 0.72 N ATOM 1196 CA ASP A 79 -12.538 5.207 -9.128 1.00 0.80 C ATOM 1197 C ASP A 79 -11.750 4.113 -8.424 1.00 0.73 C ATOM 1198 O ASP A 79 -12.297 3.060 -8.087 1.00 0.85 O ATOM 1199 CB ASP A 79 -12.098 5.293 -10.589 1.00 0.90 C ATOM 1200 CG ASP A 79 -12.208 3.960 -11.304 1.00 1.35 C ATOM 1201 OD1 ASP A 79 -13.327 3.414 -11.387 1.00 2.05 O ATOM 1202 OD2 ASP A 79 -11.171 3.449 -11.781 1.00 1.64 O ATOM 0 H ASP A 79 -11.775 7.151 -8.976 1.00 0.72 H new ATOM 0 HA ASP A 79 -13.598 4.955 -9.084 1.00 0.80 H new ATOM 0 HB2 ASP A 79 -12.709 6.032 -11.107 1.00 0.90 H new ATOM 0 HB3 ASP A 79 -11.067 5.643 -10.635 1.00 0.90 H new ATOM 1207 N GLY A 80 -10.468 4.359 -8.200 1.00 0.60 N ATOM 1208 CA GLY A 80 -9.636 3.364 -7.554 1.00 0.62 C ATOM 1209 C GLY A 80 -8.215 3.841 -7.359 1.00 0.52 C ATOM 1210 O GLY A 80 -7.949 5.039 -7.396 1.00 0.65 O ATOM 0 H GLY A 80 -9.990 5.224 -8.452 1.00 0.60 H new ATOM 0 HA2 GLY A 80 -10.066 3.107 -6.586 1.00 0.62 H new ATOM 0 HA3 GLY A 80 -9.632 2.453 -8.153 1.00 0.62 H new ATOM 1214 N ALA A 81 -7.302 2.908 -7.149 1.00 0.42 N ATOM 1215 CA ALA A 81 -5.903 3.239 -6.939 1.00 0.38 C ATOM 1216 C ALA A 81 -5.010 2.173 -7.545 1.00 0.34 C ATOM 1217 O ALA A 81 -5.494 1.146 -8.023 1.00 0.35 O ATOM 1218 CB ALA A 81 -5.611 3.378 -5.453 1.00 0.50 C ATOM 0 H ALA A 81 -7.507 1.909 -7.119 1.00 0.42 H new ATOM 0 HA ALA A 81 -5.696 4.190 -7.430 1.00 0.38 H new ATOM 0 HB1 ALA A 81 -4.559 3.626 -5.311 1.00 0.50 H new ATOM 0 HB2 ALA A 81 -6.231 4.170 -5.033 1.00 0.50 H new ATOM 0 HB3 ALA A 81 -5.833 2.437 -4.949 1.00 0.50 H new ATOM 1224 N ASP A 82 -3.713 2.432 -7.535 1.00 0.34 N ATOM 1225 CA ASP A 82 -2.733 1.466 -8.013 1.00 0.34 C ATOM 1226 C ASP A 82 -2.223 0.644 -6.839 1.00 0.33 C ATOM 1227 O ASP A 82 -2.058 1.168 -5.742 1.00 0.53 O ATOM 1228 CB ASP A 82 -1.572 2.186 -8.710 1.00 0.45 C ATOM 1229 CG ASP A 82 -0.549 1.231 -9.298 1.00 0.92 C ATOM 1230 OD1 ASP A 82 -0.873 0.551 -10.295 1.00 1.25 O ATOM 1231 OD2 ASP A 82 0.589 1.169 -8.780 1.00 1.77 O ATOM 0 H ASP A 82 -3.311 3.307 -7.200 1.00 0.34 H new ATOM 0 HA ASP A 82 -3.204 0.801 -8.737 1.00 0.34 H new ATOM 0 HB2 ASP A 82 -1.968 2.819 -9.504 1.00 0.45 H new ATOM 0 HB3 ASP A 82 -1.078 2.844 -7.995 1.00 0.45 H new ATOM 1236 N VAL A 83 -2.016 -0.643 -7.054 1.00 0.34 N ATOM 1237 CA VAL A 83 -1.533 -1.531 -6.004 1.00 0.41 C ATOM 1238 C VAL A 83 -0.343 -2.326 -6.523 1.00 0.40 C ATOM 1239 O VAL A 83 -0.311 -2.696 -7.693 1.00 0.43 O ATOM 1240 CB VAL A 83 -2.643 -2.509 -5.540 1.00 0.54 C ATOM 1241 CG1 VAL A 83 -2.145 -3.437 -4.442 1.00 0.88 C ATOM 1242 CG2 VAL A 83 -3.868 -1.743 -5.070 1.00 0.70 C ATOM 0 H VAL A 83 -2.175 -1.102 -7.951 1.00 0.34 H new ATOM 0 HA VAL A 83 -1.235 -0.922 -5.150 1.00 0.41 H new ATOM 0 HB VAL A 83 -2.920 -3.124 -6.396 1.00 0.54 H new ATOM 0 HG11 VAL A 83 -2.949 -4.109 -4.141 1.00 0.88 H new ATOM 0 HG12 VAL A 83 -1.304 -4.022 -4.814 1.00 0.88 H new ATOM 0 HG13 VAL A 83 -1.825 -2.846 -3.584 1.00 0.88 H new ATOM 0 HG21 VAL A 83 -4.636 -2.447 -4.748 1.00 0.70 H new ATOM 0 HG22 VAL A 83 -3.595 -1.097 -4.235 1.00 0.70 H new ATOM 0 HG23 VAL A 83 -4.253 -1.135 -5.889 1.00 0.70 H new ATOM 1252 N TYR A 84 0.645 -2.574 -5.684 1.00 0.41 N ATOM 1253 CA TYR A 84 1.787 -3.362 -6.107 1.00 0.42 C ATOM 1254 C TYR A 84 1.893 -4.625 -5.274 1.00 0.42 C ATOM 1255 O TYR A 84 1.715 -4.602 -4.053 1.00 0.44 O ATOM 1256 CB TYR A 84 3.088 -2.564 -6.012 1.00 0.48 C ATOM 1257 CG TYR A 84 4.223 -3.178 -6.805 1.00 0.82 C ATOM 1258 CD1 TYR A 84 4.385 -2.886 -8.153 1.00 1.24 C ATOM 1259 CD2 TYR A 84 5.120 -4.055 -6.211 1.00 1.74 C ATOM 1260 CE1 TYR A 84 5.409 -3.454 -8.887 1.00 1.81 C ATOM 1261 CE2 TYR A 84 6.148 -4.625 -6.937 1.00 2.45 C ATOM 1262 CZ TYR A 84 6.288 -4.321 -8.274 1.00 2.31 C ATOM 1263 OH TYR A 84 7.306 -4.895 -9.003 1.00 3.09 O ATOM 0 H TYR A 84 0.681 -2.247 -4.719 1.00 0.41 H new ATOM 0 HA TYR A 84 1.633 -3.631 -7.152 1.00 0.42 H new ATOM 0 HB2 TYR A 84 2.911 -1.549 -6.369 1.00 0.48 H new ATOM 0 HB3 TYR A 84 3.384 -2.487 -4.966 1.00 0.48 H new ATOM 0 HD1 TYR A 84 3.700 -2.204 -8.635 1.00 1.24 H new ATOM 0 HD2 TYR A 84 5.013 -4.296 -5.164 1.00 1.74 H new ATOM 0 HE1 TYR A 84 5.520 -3.220 -9.935 1.00 1.81 H new ATOM 0 HE2 TYR A 84 6.838 -5.305 -6.460 1.00 2.45 H new ATOM 0 HH TYR A 84 6.959 -5.665 -9.500 1.00 3.09 H new ATOM 1273 N SER A 85 2.172 -5.724 -5.946 1.00 0.43 N ATOM 1274 CA SER A 85 2.345 -7.002 -5.291 1.00 0.45 C ATOM 1275 C SER A 85 3.812 -7.400 -5.330 1.00 0.47 C ATOM 1276 O SER A 85 4.407 -7.489 -6.400 1.00 0.59 O ATOM 1277 CB SER A 85 1.489 -8.064 -5.986 1.00 0.51 C ATOM 1278 OG SER A 85 1.585 -9.320 -5.335 1.00 1.41 O ATOM 0 H SER A 85 2.285 -5.755 -6.959 1.00 0.43 H new ATOM 0 HA SER A 85 2.026 -6.922 -4.252 1.00 0.45 H new ATOM 0 HB2 SER A 85 0.448 -7.740 -6.002 1.00 0.51 H new ATOM 0 HB3 SER A 85 1.807 -8.166 -7.024 1.00 0.51 H new ATOM 0 HG SER A 85 0.786 -9.852 -5.531 1.00 1.41 H new ATOM 1284 N PHE A 86 4.397 -7.612 -4.163 1.00 0.47 N ATOM 1285 CA PHE A 86 5.780 -8.047 -4.068 1.00 0.54 C ATOM 1286 C PHE A 86 5.864 -9.550 -4.317 1.00 0.57 C ATOM 1287 O PHE A 86 6.924 -10.090 -4.632 1.00 0.70 O ATOM 1288 CB PHE A 86 6.341 -7.698 -2.686 1.00 0.60 C ATOM 1289 CG PHE A 86 7.818 -7.917 -2.555 1.00 1.16 C ATOM 1290 CD1 PHE A 86 8.721 -7.057 -3.157 1.00 1.30 C ATOM 1291 CD2 PHE A 86 8.299 -8.993 -1.835 1.00 2.19 C ATOM 1292 CE1 PHE A 86 10.082 -7.265 -3.038 1.00 2.20 C ATOM 1293 CE2 PHE A 86 9.660 -9.210 -1.712 1.00 3.16 C ATOM 1294 CZ PHE A 86 10.557 -8.304 -2.311 1.00 3.10 C ATOM 0 H PHE A 86 3.932 -7.489 -3.263 1.00 0.47 H new ATOM 0 HA PHE A 86 6.375 -7.534 -4.823 1.00 0.54 H new ATOM 0 HB2 PHE A 86 6.118 -6.654 -2.468 1.00 0.60 H new ATOM 0 HB3 PHE A 86 5.827 -8.297 -1.935 1.00 0.60 H new ATOM 0 HD1 PHE A 86 8.358 -6.214 -3.726 1.00 1.30 H new ATOM 0 HD2 PHE A 86 7.605 -9.673 -1.363 1.00 2.19 H new ATOM 0 HE1 PHE A 86 10.772 -6.594 -3.528 1.00 2.20 H new ATOM 0 HE2 PHE A 86 10.030 -10.064 -1.163 1.00 3.16 H new ATOM 0 HZ PHE A 86 11.622 -8.438 -2.191 1.00 3.10 H new ATOM 1304 N GLN A 87 4.722 -10.211 -4.189 1.00 0.56 N ATOM 1305 CA GLN A 87 4.641 -11.654 -4.366 1.00 0.67 C ATOM 1306 C GLN A 87 4.452 -11.997 -5.839 1.00 0.72 C ATOM 1307 O GLN A 87 5.092 -12.906 -6.368 1.00 0.84 O ATOM 1308 CB GLN A 87 3.481 -12.214 -3.539 1.00 0.75 C ATOM 1309 CG GLN A 87 3.379 -13.733 -3.556 1.00 0.93 C ATOM 1310 CD GLN A 87 4.552 -14.422 -2.881 1.00 1.56 C ATOM 1311 OE1 GLN A 87 5.676 -13.923 -2.884 1.00 2.36 O ATOM 1312 NE2 GLN A 87 4.292 -15.576 -2.289 1.00 2.08 N ATOM 0 H GLN A 87 3.833 -9.767 -3.961 1.00 0.56 H new ATOM 0 HA GLN A 87 5.572 -12.105 -4.023 1.00 0.67 H new ATOM 0 HB2 GLN A 87 3.591 -11.880 -2.507 1.00 0.75 H new ATOM 0 HB3 GLN A 87 2.547 -11.794 -3.913 1.00 0.75 H new ATOM 0 HG2 GLN A 87 2.456 -14.034 -3.060 1.00 0.93 H new ATOM 0 HG3 GLN A 87 3.312 -14.074 -4.589 1.00 0.93 H new ATOM 0 HE21 GLN A 87 3.346 -15.957 -2.308 1.00 2.08 H new ATOM 0 HE22 GLN A 87 5.037 -16.084 -1.813 1.00 2.08 H new ATOM 1321 N GLU A 88 3.566 -11.256 -6.491 1.00 0.68 N ATOM 1322 CA GLU A 88 3.296 -11.444 -7.912 1.00 0.75 C ATOM 1323 C GLU A 88 4.270 -10.617 -8.749 1.00 0.70 C ATOM 1324 O GLU A 88 4.418 -10.843 -9.952 1.00 0.78 O ATOM 1325 CB GLU A 88 1.847 -11.060 -8.215 1.00 0.80 C ATOM 1326 CG GLU A 88 0.834 -11.925 -7.471 1.00 1.08 C ATOM 1327 CD GLU A 88 -0.512 -11.248 -7.293 1.00 1.56 C ATOM 1328 OE1 GLU A 88 -0.645 -10.438 -6.350 1.00 2.25 O ATOM 1329 OE2 GLU A 88 -1.441 -11.533 -8.075 1.00 2.02 O ATOM 0 H GLU A 88 3.018 -10.514 -6.056 1.00 0.68 H new ATOM 0 HA GLU A 88 3.438 -12.493 -8.172 1.00 0.75 H new ATOM 0 HB2 GLU A 88 1.690 -10.015 -7.948 1.00 0.80 H new ATOM 0 HB3 GLU A 88 1.671 -11.145 -9.287 1.00 0.80 H new ATOM 0 HG2 GLU A 88 0.695 -12.859 -8.015 1.00 1.08 H new ATOM 0 HG3 GLU A 88 1.236 -12.183 -6.491 1.00 1.08 H new ATOM 1336 N GLU A 89 4.929 -9.662 -8.085 1.00 0.62 N ATOM 1337 CA GLU A 89 5.968 -8.818 -8.692 1.00 0.65 C ATOM 1338 C GLU A 89 5.397 -7.848 -9.718 1.00 0.62 C ATOM 1339 O GLU A 89 6.142 -7.254 -10.499 1.00 0.78 O ATOM 1340 CB GLU A 89 7.055 -9.660 -9.352 1.00 0.80 C ATOM 1341 CG GLU A 89 7.816 -10.551 -8.393 1.00 1.48 C ATOM 1342 CD GLU A 89 8.843 -11.390 -9.112 1.00 1.67 C ATOM 1343 OE1 GLU A 89 8.468 -12.429 -9.695 1.00 2.29 O ATOM 1344 OE2 GLU A 89 10.035 -11.030 -9.077 1.00 1.55 O ATOM 0 H GLU A 89 4.756 -9.450 -7.102 1.00 0.62 H new ATOM 0 HA GLU A 89 6.403 -8.242 -7.875 1.00 0.65 H new ATOM 0 HB2 GLU A 89 6.600 -10.281 -10.124 1.00 0.80 H new ATOM 0 HB3 GLU A 89 7.761 -8.996 -9.851 1.00 0.80 H new ATOM 0 HG2 GLU A 89 8.309 -9.938 -7.639 1.00 1.48 H new ATOM 0 HG3 GLU A 89 7.117 -11.202 -7.867 1.00 1.48 H new ATOM 1351 N GLU A 90 4.088 -7.672 -9.712 1.00 0.49 N ATOM 1352 CA GLU A 90 3.436 -6.831 -10.701 1.00 0.53 C ATOM 1353 C GLU A 90 2.551 -5.793 -10.033 1.00 0.45 C ATOM 1354 O GLU A 90 2.126 -5.969 -8.888 1.00 0.44 O ATOM 1355 CB GLU A 90 2.575 -7.680 -11.639 1.00 0.67 C ATOM 1356 CG GLU A 90 3.328 -8.803 -12.332 1.00 1.26 C ATOM 1357 CD GLU A 90 2.461 -9.542 -13.325 1.00 1.72 C ATOM 1358 OE1 GLU A 90 1.511 -10.230 -12.901 1.00 2.05 O ATOM 1359 OE2 GLU A 90 2.714 -9.416 -14.540 1.00 2.10 O ATOM 0 H GLU A 90 3.456 -8.099 -9.035 1.00 0.49 H new ATOM 0 HA GLU A 90 4.217 -6.326 -11.270 1.00 0.53 H new ATOM 0 HB2 GLU A 90 1.751 -8.108 -11.069 1.00 0.67 H new ATOM 0 HB3 GLU A 90 2.135 -7.031 -12.397 1.00 0.67 H new ATOM 0 HG2 GLU A 90 4.197 -8.393 -12.846 1.00 1.26 H new ATOM 0 HG3 GLU A 90 3.701 -9.504 -11.585 1.00 1.26 H new ATOM 1366 N PRO A 91 2.290 -4.676 -10.729 1.00 0.47 N ATOM 1367 CA PRO A 91 1.234 -3.747 -10.348 1.00 0.45 C ATOM 1368 C PRO A 91 -0.121 -4.418 -10.529 1.00 0.44 C ATOM 1369 O PRO A 91 -0.534 -4.728 -11.651 1.00 0.51 O ATOM 1370 CB PRO A 91 1.397 -2.568 -11.317 1.00 0.54 C ATOM 1371 CG PRO A 91 2.745 -2.744 -11.930 1.00 0.64 C ATOM 1372 CD PRO A 91 3.009 -4.221 -11.924 1.00 0.60 C ATOM 0 HA PRO A 91 1.295 -3.428 -9.307 1.00 0.45 H new ATOM 0 HB2 PRO A 91 0.616 -2.573 -12.077 1.00 0.54 H new ATOM 0 HB3 PRO A 91 1.325 -1.615 -10.792 1.00 0.54 H new ATOM 0 HG2 PRO A 91 2.767 -2.347 -12.945 1.00 0.64 H new ATOM 0 HG3 PRO A 91 3.506 -2.209 -11.362 1.00 0.64 H new ATOM 0 HD2 PRO A 91 2.636 -4.702 -12.828 1.00 0.60 H new ATOM 0 HD3 PRO A 91 4.075 -4.441 -11.863 1.00 0.60 H new ATOM 1380 N VAL A 92 -0.809 -4.647 -9.430 1.00 0.41 N ATOM 1381 CA VAL A 92 -2.003 -5.466 -9.438 1.00 0.44 C ATOM 1382 C VAL A 92 -3.210 -4.680 -8.976 1.00 0.46 C ATOM 1383 O VAL A 92 -3.088 -3.618 -8.372 1.00 0.58 O ATOM 1384 CB VAL A 92 -1.846 -6.705 -8.534 1.00 0.46 C ATOM 1385 CG1 VAL A 92 -0.787 -7.641 -9.089 1.00 0.50 C ATOM 1386 CG2 VAL A 92 -1.492 -6.288 -7.116 1.00 0.46 C ATOM 0 H VAL A 92 -0.559 -4.275 -8.514 1.00 0.41 H new ATOM 0 HA VAL A 92 -2.151 -5.789 -10.468 1.00 0.44 H new ATOM 0 HB VAL A 92 -2.798 -7.235 -8.512 1.00 0.46 H new ATOM 0 HG11 VAL A 92 -0.691 -8.509 -8.437 1.00 0.50 H new ATOM 0 HG12 VAL A 92 -1.077 -7.967 -10.088 1.00 0.50 H new ATOM 0 HG13 VAL A 92 0.169 -7.119 -9.141 1.00 0.50 H new ATOM 0 HG21 VAL A 92 -1.385 -7.175 -6.492 1.00 0.46 H new ATOM 0 HG22 VAL A 92 -0.553 -5.734 -7.123 1.00 0.46 H new ATOM 0 HG23 VAL A 92 -2.284 -5.655 -6.715 1.00 0.46 H new ATOM 1396 N LEU A 93 -4.375 -5.206 -9.285 1.00 0.56 N ATOM 1397 CA LEU A 93 -5.617 -4.589 -8.874 1.00 0.59 C ATOM 1398 C LEU A 93 -6.247 -5.342 -7.729 1.00 0.56 C ATOM 1399 O LEU A 93 -5.873 -6.475 -7.432 1.00 0.66 O ATOM 1400 CB LEU A 93 -6.605 -4.528 -10.021 1.00 0.67 C ATOM 1401 CG LEU A 93 -6.715 -3.178 -10.710 1.00 0.87 C ATOM 1402 CD1 LEU A 93 -6.947 -2.065 -9.696 1.00 1.32 C ATOM 1403 CD2 LEU A 93 -5.483 -2.893 -11.558 1.00 1.49 C ATOM 0 H LEU A 93 -4.488 -6.065 -9.823 1.00 0.56 H new ATOM 0 HA LEU A 93 -5.376 -3.576 -8.551 1.00 0.59 H new ATOM 0 HB2 LEU A 93 -6.322 -5.275 -10.763 1.00 0.67 H new ATOM 0 HB3 LEU A 93 -7.590 -4.808 -9.646 1.00 0.67 H new ATOM 0 HG LEU A 93 -7.578 -3.213 -11.375 1.00 0.87 H new ATOM 0 HD11 LEU A 93 -7.022 -1.110 -10.215 1.00 1.32 H new ATOM 0 HD12 LEU A 93 -7.872 -2.256 -9.152 1.00 1.32 H new ATOM 0 HD13 LEU A 93 -6.113 -2.032 -8.995 1.00 1.32 H new ATOM 0 HD21 LEU A 93 -5.589 -1.921 -12.039 1.00 1.49 H new ATOM 0 HD22 LEU A 93 -4.597 -2.889 -10.923 1.00 1.49 H new ATOM 0 HD23 LEU A 93 -5.379 -3.665 -12.320 1.00 1.49 H new ATOM 1415 N ASP A 94 -7.231 -4.714 -7.125 1.00 0.57 N ATOM 1416 CA ASP A 94 -7.935 -5.300 -5.997 1.00 0.54 C ATOM 1417 C ASP A 94 -9.427 -5.045 -6.134 1.00 0.53 C ATOM 1418 O ASP A 94 -9.874 -3.902 -6.105 1.00 0.54 O ATOM 1419 CB ASP A 94 -7.418 -4.729 -4.672 1.00 0.56 C ATOM 1420 CG ASP A 94 -8.188 -5.235 -3.466 1.00 0.64 C ATOM 1421 OD1 ASP A 94 -8.653 -6.391 -3.503 1.00 0.85 O ATOM 1422 OD2 ASP A 94 -8.334 -4.486 -2.474 1.00 0.85 O ATOM 0 H ASP A 94 -7.567 -3.790 -7.396 1.00 0.57 H new ATOM 0 HA ASP A 94 -7.753 -6.375 -5.995 1.00 0.54 H new ATOM 0 HB2 ASP A 94 -6.365 -4.987 -4.558 1.00 0.56 H new ATOM 0 HB3 ASP A 94 -7.478 -3.641 -4.704 1.00 0.56 H new ATOM 1427 N PRO A 95 -10.219 -6.107 -6.312 1.00 0.59 N ATOM 1428 CA PRO A 95 -11.682 -6.009 -6.412 1.00 0.66 C ATOM 1429 C PRO A 95 -12.330 -5.588 -5.090 1.00 0.64 C ATOM 1430 O PRO A 95 -13.552 -5.563 -4.963 1.00 0.74 O ATOM 1431 CB PRO A 95 -12.113 -7.437 -6.792 1.00 0.75 C ATOM 1432 CG PRO A 95 -10.865 -8.100 -7.267 1.00 0.77 C ATOM 1433 CD PRO A 95 -9.758 -7.490 -6.467 1.00 0.66 C ATOM 0 HA PRO A 95 -11.990 -5.251 -7.133 1.00 0.66 H new ATOM 0 HB2 PRO A 95 -12.539 -7.962 -5.937 1.00 0.75 H new ATOM 0 HB3 PRO A 95 -12.876 -7.426 -7.571 1.00 0.75 H new ATOM 0 HG2 PRO A 95 -10.911 -9.178 -7.114 1.00 0.77 H new ATOM 0 HG3 PRO A 95 -10.715 -7.935 -8.334 1.00 0.77 H new ATOM 0 HD2 PRO A 95 -9.628 -7.987 -5.506 1.00 0.66 H new ATOM 0 HD3 PRO A 95 -8.801 -7.545 -6.986 1.00 0.66 H new ATOM 1441 N HIS A 96 -11.498 -5.277 -4.101 1.00 0.58 N ATOM 1442 CA HIS A 96 -11.979 -4.849 -2.791 1.00 0.64 C ATOM 1443 C HIS A 96 -11.239 -3.597 -2.349 1.00 0.57 C ATOM 1444 O HIS A 96 -11.078 -3.358 -1.150 1.00 0.58 O ATOM 1445 CB HIS A 96 -11.775 -5.947 -1.734 1.00 0.80 C ATOM 1446 CG HIS A 96 -11.793 -7.346 -2.269 1.00 1.01 C ATOM 1447 ND1 HIS A 96 -10.677 -7.955 -2.801 1.00 1.93 N ATOM 1448 CD2 HIS A 96 -12.790 -8.258 -2.351 1.00 1.18 C ATOM 1449 CE1 HIS A 96 -10.983 -9.180 -3.178 1.00 1.93 C ATOM 1450 NE2 HIS A 96 -12.259 -9.391 -2.919 1.00 1.31 N ATOM 0 H HIS A 96 -10.482 -5.314 -4.182 1.00 0.58 H new ATOM 0 HA HIS A 96 -13.045 -4.643 -2.882 1.00 0.64 H new ATOM 0 HB2 HIS A 96 -10.822 -5.777 -1.233 1.00 0.80 H new ATOM 0 HB3 HIS A 96 -12.554 -5.852 -0.977 1.00 0.80 H new ATOM 0 HD1 HIS A 96 -9.757 -7.524 -2.889 1.00 1.93 H new ATOM 0 HD2 HIS A 96 -13.812 -8.121 -2.030 1.00 1.18 H new ATOM 0 HE1 HIS A 96 -10.304 -9.891 -3.624 1.00 1.93 H new ATOM 1459 N LEU A 97 -10.783 -2.809 -3.316 1.00 0.56 N ATOM 1460 CA LEU A 97 -10.055 -1.581 -3.025 1.00 0.54 C ATOM 1461 C LEU A 97 -10.850 -0.691 -2.098 1.00 0.54 C ATOM 1462 O LEU A 97 -10.343 -0.237 -1.077 1.00 0.55 O ATOM 1463 CB LEU A 97 -9.756 -0.803 -4.309 1.00 0.59 C ATOM 1464 CG LEU A 97 -8.670 -1.379 -5.206 1.00 0.62 C ATOM 1465 CD1 LEU A 97 -8.649 -0.628 -6.523 1.00 0.73 C ATOM 1466 CD2 LEU A 97 -7.315 -1.302 -4.523 1.00 0.63 C ATOM 0 H LEU A 97 -10.905 -3.000 -4.310 1.00 0.56 H new ATOM 0 HA LEU A 97 -9.119 -1.868 -2.546 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -10.677 -0.731 -4.888 1.00 0.59 H new ATOM 0 HB3 LEU A 97 -9.471 0.213 -4.036 1.00 0.59 H new ATOM 0 HG LEU A 97 -8.888 -2.429 -5.400 1.00 0.62 H new ATOM 0 HD11 LEU A 97 -7.871 -1.041 -7.165 1.00 0.73 H new ATOM 0 HD12 LEU A 97 -9.617 -0.729 -7.015 1.00 0.73 H new ATOM 0 HD13 LEU A 97 -8.444 0.426 -6.337 1.00 0.73 H new ATOM 0 HD21 LEU A 97 -6.552 -1.719 -5.180 1.00 0.63 H new ATOM 0 HD22 LEU A 97 -7.076 -0.261 -4.304 1.00 0.63 H new ATOM 0 HD23 LEU A 97 -7.343 -1.871 -3.594 1.00 0.63 H new ATOM 1478 N ALA A 98 -12.108 -0.478 -2.443 1.00 0.58 N ATOM 1479 CA ALA A 98 -12.947 0.441 -1.693 1.00 0.63 C ATOM 1480 C ALA A 98 -13.107 -0.040 -0.263 1.00 0.61 C ATOM 1481 O ALA A 98 -13.021 0.743 0.674 1.00 0.65 O ATOM 1482 CB ALA A 98 -14.299 0.599 -2.365 1.00 0.74 C ATOM 0 H ALA A 98 -12.570 -0.927 -3.234 1.00 0.58 H new ATOM 0 HA ALA A 98 -12.463 1.418 -1.674 1.00 0.63 H new ATOM 0 HB1 ALA A 98 -14.913 1.291 -1.789 1.00 0.74 H new ATOM 0 HB2 ALA A 98 -14.161 0.990 -3.373 1.00 0.74 H new ATOM 0 HB3 ALA A 98 -14.795 -0.370 -2.416 1.00 0.74 H new ATOM 1488 N LYS A 99 -13.312 -1.337 -0.110 1.00 0.60 N ATOM 1489 CA LYS A 99 -13.439 -1.947 1.204 1.00 0.64 C ATOM 1490 C LYS A 99 -12.148 -1.812 1.998 1.00 0.58 C ATOM 1491 O LYS A 99 -12.170 -1.469 3.181 1.00 0.61 O ATOM 1492 CB LYS A 99 -13.795 -3.422 1.043 1.00 0.73 C ATOM 1493 CG LYS A 99 -13.963 -4.175 2.354 1.00 0.89 C ATOM 1494 CD LYS A 99 -15.095 -3.610 3.200 1.00 1.73 C ATOM 1495 CE LYS A 99 -15.237 -4.367 4.512 1.00 2.30 C ATOM 1496 NZ LYS A 99 -15.557 -5.802 4.289 1.00 2.81 N ATOM 0 H LYS A 99 -13.395 -1.993 -0.886 1.00 0.60 H new ATOM 0 HA LYS A 99 -14.228 -1.432 1.751 1.00 0.64 H new ATOM 0 HB2 LYS A 99 -14.720 -3.500 0.472 1.00 0.73 H new ATOM 0 HB3 LYS A 99 -13.017 -3.909 0.456 1.00 0.73 H new ATOM 0 HG2 LYS A 99 -14.158 -5.227 2.145 1.00 0.89 H new ATOM 0 HG3 LYS A 99 -13.032 -4.130 2.919 1.00 0.89 H new ATOM 0 HD2 LYS A 99 -14.907 -2.556 3.405 1.00 1.73 H new ATOM 0 HD3 LYS A 99 -16.030 -3.665 2.643 1.00 1.73 H new ATOM 0 HE2 LYS A 99 -14.311 -4.285 5.081 1.00 2.30 H new ATOM 0 HE3 LYS A 99 -16.022 -3.909 5.113 1.00 2.30 H new ATOM 0 HZ1 LYS A 99 -15.877 -6.229 5.182 1.00 2.81 H new ATOM 0 HZ2 LYS A 99 -16.310 -5.883 3.577 1.00 2.81 H new ATOM 0 HZ3 LYS A 99 -14.708 -6.299 3.953 1.00 2.81 H new ATOM 1510 N HIS A 100 -11.026 -2.073 1.346 1.00 0.55 N ATOM 1511 CA HIS A 100 -9.739 -2.022 2.026 1.00 0.59 C ATOM 1512 C HIS A 100 -9.390 -0.596 2.415 1.00 0.57 C ATOM 1513 O HIS A 100 -8.988 -0.343 3.549 1.00 0.62 O ATOM 1514 CB HIS A 100 -8.629 -2.641 1.172 1.00 0.69 C ATOM 1515 CG HIS A 100 -8.678 -4.140 1.159 1.00 1.73 C ATOM 1516 ND1 HIS A 100 -8.592 -4.898 0.012 1.00 2.69 N ATOM 1517 CD2 HIS A 100 -8.801 -5.022 2.178 1.00 2.45 C ATOM 1518 CE1 HIS A 100 -8.661 -6.178 0.326 1.00 3.49 C ATOM 1519 NE2 HIS A 100 -8.789 -6.280 1.634 1.00 3.34 N ATOM 0 H HIS A 100 -10.978 -2.320 0.357 1.00 0.55 H new ATOM 0 HA HIS A 100 -9.823 -2.614 2.937 1.00 0.59 H new ATOM 0 HB2 HIS A 100 -8.712 -2.270 0.151 1.00 0.69 H new ATOM 0 HB3 HIS A 100 -7.660 -2.316 1.551 1.00 0.69 H new ATOM 0 HD1 HIS A 100 -8.491 -4.528 -0.933 1.00 2.69 H new ATOM 0 HD2 HIS A 100 -8.892 -4.779 3.226 1.00 2.45 H new ATOM 0 HE1 HIS A 100 -8.620 -7.002 -0.371 1.00 3.49 H new ATOM 1528 N LEU A 101 -9.573 0.334 1.489 1.00 0.58 N ATOM 1529 CA LEU A 101 -9.279 1.732 1.747 1.00 0.66 C ATOM 1530 C LEU A 101 -10.214 2.284 2.807 1.00 0.68 C ATOM 1531 O LEU A 101 -9.787 2.993 3.712 1.00 0.76 O ATOM 1532 CB LEU A 101 -9.398 2.546 0.460 1.00 0.70 C ATOM 1533 CG LEU A 101 -8.530 2.042 -0.687 1.00 0.72 C ATOM 1534 CD1 LEU A 101 -8.588 2.992 -1.870 1.00 0.81 C ATOM 1535 CD2 LEU A 101 -7.096 1.843 -0.221 1.00 0.79 C ATOM 0 H LEU A 101 -9.925 0.143 0.551 1.00 0.58 H new ATOM 0 HA LEU A 101 -8.256 1.808 2.114 1.00 0.66 H new ATOM 0 HB2 LEU A 101 -10.440 2.545 0.139 1.00 0.70 H new ATOM 0 HB3 LEU A 101 -9.131 3.581 0.673 1.00 0.70 H new ATOM 0 HG LEU A 101 -8.921 1.078 -1.014 1.00 0.72 H new ATOM 0 HD11 LEU A 101 -7.960 2.610 -2.675 1.00 0.81 H new ATOM 0 HD12 LEU A 101 -9.617 3.075 -2.220 1.00 0.81 H new ATOM 0 HD13 LEU A 101 -8.229 3.975 -1.565 1.00 0.81 H new ATOM 0 HD21 LEU A 101 -6.490 1.483 -1.052 1.00 0.79 H new ATOM 0 HD22 LEU A 101 -6.695 2.791 0.137 1.00 0.79 H new ATOM 0 HD23 LEU A 101 -7.074 1.112 0.587 1.00 0.79 H new ATOM 1547 N ALA A 102 -11.485 1.932 2.700 1.00 0.68 N ATOM 1548 CA ALA A 102 -12.485 2.380 3.662 1.00 0.78 C ATOM 1549 C ALA A 102 -12.186 1.854 5.054 1.00 0.76 C ATOM 1550 O ALA A 102 -12.424 2.541 6.046 1.00 0.85 O ATOM 1551 CB ALA A 102 -13.876 1.950 3.235 1.00 0.88 C ATOM 0 H ALA A 102 -11.851 1.337 1.957 1.00 0.68 H new ATOM 0 HA ALA A 102 -12.446 3.469 3.690 1.00 0.78 H new ATOM 0 HB1 ALA A 102 -14.605 2.296 3.968 1.00 0.88 H new ATOM 0 HB2 ALA A 102 -14.108 2.382 2.262 1.00 0.88 H new ATOM 0 HB3 ALA A 102 -13.916 0.863 3.168 1.00 0.88 H new ATOM 1557 N HIS A 103 -11.655 0.640 5.125 1.00 0.72 N ATOM 1558 CA HIS A 103 -11.289 0.050 6.405 1.00 0.79 C ATOM 1559 C HIS A 103 -10.033 0.725 6.939 1.00 0.88 C ATOM 1560 O HIS A 103 -9.672 0.567 8.104 1.00 1.02 O ATOM 1561 CB HIS A 103 -11.048 -1.450 6.258 1.00 0.86 C ATOM 1562 CG HIS A 103 -11.336 -2.228 7.503 1.00 1.10 C ATOM 1563 ND1 HIS A 103 -10.422 -2.409 8.523 1.00 1.75 N ATOM 1564 CD2 HIS A 103 -12.455 -2.879 7.885 1.00 1.50 C ATOM 1565 CE1 HIS A 103 -10.972 -3.142 9.475 1.00 1.77 C ATOM 1566 NE2 HIS A 103 -12.204 -3.437 9.110 1.00 1.52 N ATOM 0 H HIS A 103 -11.469 0.048 4.316 1.00 0.72 H new ATOM 0 HA HIS A 103 -12.110 0.201 7.106 1.00 0.79 H new ATOM 0 HB2 HIS A 103 -11.671 -1.832 5.449 1.00 0.86 H new ATOM 0 HB3 HIS A 103 -10.011 -1.616 5.968 1.00 0.86 H new ATOM 0 HD2 HIS A 103 -13.378 -2.947 7.328 1.00 1.50 H new ATOM 0 HE1 HIS A 103 -10.494 -3.447 10.394 1.00 1.77 H new ATOM 0 HE2 HIS A 103 -12.865 -3.992 9.653 1.00 1.52 H new ATOM 1575 N PHE A 104 -9.384 1.484 6.069 1.00 0.86 N ATOM 1576 CA PHE A 104 -8.169 2.201 6.420 1.00 1.03 C ATOM 1577 C PHE A 104 -8.488 3.652 6.743 1.00 1.11 C ATOM 1578 O PHE A 104 -7.651 4.383 7.270 1.00 1.29 O ATOM 1579 CB PHE A 104 -7.159 2.123 5.265 1.00 1.06 C ATOM 1580 CG PHE A 104 -6.273 0.907 5.323 1.00 1.10 C ATOM 1581 CD1 PHE A 104 -5.611 0.573 6.496 1.00 1.34 C ATOM 1582 CD2 PHE A 104 -6.103 0.098 4.210 1.00 1.24 C ATOM 1583 CE1 PHE A 104 -4.800 -0.544 6.555 1.00 1.40 C ATOM 1584 CE2 PHE A 104 -5.293 -1.021 4.265 1.00 1.35 C ATOM 1585 CZ PHE A 104 -4.641 -1.342 5.440 1.00 1.30 C ATOM 0 H PHE A 104 -9.684 1.620 5.104 1.00 0.86 H new ATOM 0 HA PHE A 104 -7.730 1.737 7.303 1.00 1.03 H new ATOM 0 HB2 PHE A 104 -7.700 2.124 4.319 1.00 1.06 H new ATOM 0 HB3 PHE A 104 -6.536 3.017 5.276 1.00 1.06 H new ATOM 0 HD1 PHE A 104 -5.731 1.193 7.372 1.00 1.34 H new ATOM 0 HD2 PHE A 104 -6.610 0.345 3.289 1.00 1.24 H new ATOM 0 HE1 PHE A 104 -4.290 -0.793 7.474 1.00 1.40 H new ATOM 0 HE2 PHE A 104 -5.170 -1.643 3.391 1.00 1.35 H new ATOM 0 HZ PHE A 104 -4.008 -2.216 5.486 1.00 1.30 H new ATOM 1595 N GLY A 105 -9.714 4.056 6.437 1.00 1.03 N ATOM 1596 CA GLY A 105 -10.108 5.435 6.632 1.00 1.17 C ATOM 1597 C GLY A 105 -9.881 6.255 5.381 1.00 1.18 C ATOM 1598 O GLY A 105 -10.160 7.453 5.348 1.00 1.35 O ATOM 0 H GLY A 105 -10.442 3.452 6.057 1.00 1.03 H new ATOM 0 HA2 GLY A 105 -11.161 5.478 6.912 1.00 1.17 H new ATOM 0 HA3 GLY A 105 -9.541 5.864 7.458 1.00 1.17 H new ATOM 1602 N ILE A 106 -9.370 5.596 4.350 1.00 1.03 N ATOM 1603 CA ILE A 106 -9.122 6.229 3.072 1.00 1.04 C ATOM 1604 C ILE A 106 -10.415 6.335 2.277 1.00 0.98 C ATOM 1605 O ILE A 106 -10.968 5.331 1.833 1.00 0.96 O ATOM 1606 CB ILE A 106 -8.072 5.449 2.261 1.00 0.98 C ATOM 1607 CG1 ILE A 106 -6.741 5.432 3.008 1.00 1.16 C ATOM 1608 CG2 ILE A 106 -7.908 6.067 0.883 1.00 0.98 C ATOM 1609 CD1 ILE A 106 -5.667 4.649 2.297 1.00 1.22 C ATOM 0 H ILE A 106 -9.117 4.608 4.381 1.00 1.03 H new ATOM 0 HA ILE A 106 -8.734 7.230 3.263 1.00 1.04 H new ATOM 0 HB ILE A 106 -8.411 4.421 2.137 1.00 0.98 H new ATOM 0 HG12 ILE A 106 -6.399 6.457 3.150 1.00 1.16 H new ATOM 0 HG13 ILE A 106 -6.895 5.007 4.000 1.00 1.16 H new ATOM 0 HG21 ILE A 106 -7.163 5.506 0.319 1.00 0.98 H new ATOM 0 HG22 ILE A 106 -8.861 6.037 0.355 1.00 0.98 H new ATOM 0 HG23 ILE A 106 -7.583 7.102 0.985 1.00 0.98 H new ATOM 0 HD11 ILE A 106 -4.748 4.678 2.882 1.00 1.22 H new ATOM 0 HD12 ILE A 106 -5.989 3.615 2.178 1.00 1.22 H new ATOM 0 HD13 ILE A 106 -5.486 5.088 1.316 1.00 1.22 H new ATOM 1621 N ASP A 107 -10.901 7.554 2.123 1.00 1.09 N ATOM 1622 CA ASP A 107 -12.142 7.792 1.401 1.00 1.17 C ATOM 1623 C ASP A 107 -11.848 8.421 0.047 1.00 1.10 C ATOM 1624 O ASP A 107 -11.482 9.594 -0.039 1.00 1.21 O ATOM 1625 CB ASP A 107 -13.065 8.707 2.207 1.00 1.52 C ATOM 1626 CG ASP A 107 -14.495 8.692 1.702 1.00 1.93 C ATOM 1627 OD1 ASP A 107 -14.695 8.855 0.477 1.00 2.14 O ATOM 1628 OD2 ASP A 107 -15.423 8.519 2.514 1.00 2.60 O ATOM 0 H ASP A 107 -10.456 8.396 2.488 1.00 1.09 H new ATOM 0 HA ASP A 107 -12.641 6.835 1.251 1.00 1.17 H new ATOM 0 HB2 ASP A 107 -13.051 8.400 3.253 1.00 1.52 H new ATOM 0 HB3 ASP A 107 -12.682 9.727 2.169 1.00 1.52 H new ATOM 1633 N MET A 108 -12.005 7.633 -1.005 1.00 0.98 N ATOM 1634 CA MET A 108 -11.754 8.090 -2.367 1.00 0.94 C ATOM 1635 C MET A 108 -12.726 9.188 -2.766 1.00 1.07 C ATOM 1636 O MET A 108 -12.412 10.064 -3.577 1.00 1.20 O ATOM 1637 CB MET A 108 -11.903 6.931 -3.353 1.00 0.87 C ATOM 1638 CG MET A 108 -11.018 5.736 -3.050 1.00 0.96 C ATOM 1639 SD MET A 108 -11.644 4.730 -1.686 1.00 1.72 S ATOM 1640 CE MET A 108 -13.242 4.238 -2.332 1.00 2.07 C ATOM 0 H MET A 108 -12.309 6.661 -0.942 1.00 0.98 H new ATOM 0 HA MET A 108 -10.737 8.480 -2.397 1.00 0.94 H new ATOM 0 HB2 MET A 108 -12.943 6.606 -3.359 1.00 0.87 H new ATOM 0 HB3 MET A 108 -11.676 7.291 -4.356 1.00 0.87 H new ATOM 0 HG2 MET A 108 -10.933 5.117 -3.943 1.00 0.96 H new ATOM 0 HG3 MET A 108 -10.014 6.085 -2.807 1.00 0.96 H new ATOM 0 HE1 MET A 108 -13.611 3.378 -1.774 1.00 2.07 H new ATOM 0 HE2 MET A 108 -13.945 5.065 -2.232 1.00 2.07 H new ATOM 0 HE3 MET A 108 -13.143 3.972 -3.384 1.00 2.07 H new ATOM 1650 N LEU A 109 -13.906 9.135 -2.179 1.00 1.17 N ATOM 1651 CA LEU A 109 -14.995 10.010 -2.560 1.00 1.40 C ATOM 1652 C LEU A 109 -14.934 11.321 -1.789 1.00 1.71 C ATOM 1653 O LEU A 109 -15.621 12.284 -2.129 1.00 2.17 O ATOM 1654 CB LEU A 109 -16.326 9.310 -2.306 1.00 1.57 C ATOM 1655 CG LEU A 109 -16.414 7.877 -2.838 1.00 1.50 C ATOM 1656 CD1 LEU A 109 -17.816 7.338 -2.645 1.00 1.89 C ATOM 1657 CD2 LEU A 109 -16.012 7.816 -4.303 1.00 1.30 C ATOM 0 H LEU A 109 -14.135 8.486 -1.427 1.00 1.17 H new ATOM 0 HA LEU A 109 -14.904 10.239 -3.622 1.00 1.40 H new ATOM 0 HB2 LEU A 109 -16.513 9.295 -1.232 1.00 1.57 H new ATOM 0 HB3 LEU A 109 -17.122 9.900 -2.760 1.00 1.57 H new ATOM 0 HG LEU A 109 -15.718 7.255 -2.275 1.00 1.50 H new ATOM 0 HD11 LEU A 109 -17.869 6.318 -3.026 1.00 1.89 H new ATOM 0 HD12 LEU A 109 -18.065 7.342 -1.584 1.00 1.89 H new ATOM 0 HD13 LEU A 109 -18.525 7.965 -3.186 1.00 1.89 H new ATOM 0 HD21 LEU A 109 -16.083 6.788 -4.657 1.00 1.30 H new ATOM 0 HD22 LEU A 109 -16.678 8.449 -4.890 1.00 1.30 H new ATOM 0 HD23 LEU A 109 -14.986 8.168 -4.414 1.00 1.30 H new