USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 753 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.6!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.07! C(o=-2.1!,f=-1.9!) USER MOD Single : A 21 THR OG1 : rot -162:sc= -1.22 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -3.68! C(o=-3.7!,f=-8.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0639 K(o=-0.064,f=-1.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -1.6 F(o=-3.5!,f=-1.6) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.23) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -159:sc= -0.18 USER MOD Single : A 52 HIS : no HD1:sc= -3.39 K(o=-3.4,f=-4.2!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 144:sc= -4.2! (180deg=-4.68!) USER MOD Single : A 61 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.068) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -3.29! C(o=-3.9!,f=-3.3!) USER MOD Single : A 77 TYR OH : rot 180:sc= -3.61! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 72.058 -1.709 -14.489 1.00 0.00 N ATOM 37 CA THR A 3 71.036 -2.646 -15.020 1.00 0.00 C ATOM 38 C THR A 3 69.675 -1.946 -15.088 1.00 0.00 C ATOM 39 O THR A 3 69.588 -0.734 -15.072 1.00 0.00 O ATOM 40 CB THR A 3 70.974 -3.905 -14.129 1.00 0.00 C ATOM 41 OG1 THR A 3 70.737 -5.041 -14.947 1.00 0.00 O ATOM 42 CG2 THR A 3 69.856 -3.799 -13.082 1.00 0.00 C ATOM 0 HA THR A 3 71.308 -2.955 -16.029 1.00 0.00 H new ATOM 0 HB THR A 3 71.925 -3.999 -13.605 1.00 0.00 H new ATOM 0 HG1 THR A 3 70.698 -5.845 -14.387 1.00 0.00 H new ATOM 0 HG21 THR A 3 69.841 -4.703 -12.473 1.00 0.00 H new ATOM 0 HG22 THR A 3 70.036 -2.934 -12.444 1.00 0.00 H new ATOM 0 HG23 THR A 3 68.896 -3.685 -13.585 1.00 0.00 H new ATOM 50 N LYS A 4 68.616 -2.703 -15.167 1.00 0.00 N ATOM 51 CA LYS A 4 67.258 -2.092 -15.239 1.00 0.00 C ATOM 52 C LYS A 4 67.166 -0.919 -14.258 1.00 0.00 C ATOM 53 O LYS A 4 67.419 0.217 -14.611 1.00 0.00 O ATOM 54 CB LYS A 4 66.208 -3.143 -14.875 1.00 0.00 C ATOM 55 CG LYS A 4 65.524 -3.644 -16.147 1.00 0.00 C ATOM 56 CD LYS A 4 64.459 -4.682 -15.781 1.00 0.00 C ATOM 57 CE LYS A 4 63.069 -4.084 -16.000 1.00 0.00 C ATOM 58 NZ LYS A 4 62.045 -4.965 -15.370 1.00 0.00 N ATOM 0 H LYS A 4 68.632 -3.723 -15.185 1.00 0.00 H new ATOM 0 HA LYS A 4 67.078 -1.730 -16.251 1.00 0.00 H new ATOM 0 HB2 LYS A 4 66.678 -3.975 -14.350 1.00 0.00 H new ATOM 0 HB3 LYS A 4 65.470 -2.715 -14.197 1.00 0.00 H new ATOM 0 HG2 LYS A 4 65.066 -2.810 -16.679 1.00 0.00 H new ATOM 0 HG3 LYS A 4 66.260 -4.085 -16.819 1.00 0.00 H new ATOM 0 HD2 LYS A 4 64.582 -5.576 -16.392 1.00 0.00 H new ATOM 0 HD3 LYS A 4 64.576 -4.988 -14.741 1.00 0.00 H new ATOM 0 HE2 LYS A 4 63.019 -3.084 -15.569 1.00 0.00 H new ATOM 0 HE3 LYS A 4 62.869 -3.981 -17.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 61.099 -4.559 -15.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 62.088 -5.910 -15.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 62.233 -5.041 -14.350 1.00 0.00 H new ATOM 72 N GLU A 5 66.797 -1.180 -13.034 1.00 0.00 N ATOM 73 CA GLU A 5 66.680 -0.079 -12.042 1.00 0.00 C ATOM 74 C GLU A 5 68.006 0.115 -11.323 1.00 0.00 C ATOM 75 O GLU A 5 68.082 0.714 -10.269 1.00 0.00 O ATOM 76 CB GLU A 5 65.599 -0.421 -11.025 1.00 0.00 C ATOM 77 CG GLU A 5 64.428 0.552 -11.170 1.00 0.00 C ATOM 78 CD GLU A 5 63.128 -0.149 -10.776 1.00 0.00 C ATOM 79 OE1 GLU A 5 63.193 -1.308 -10.398 1.00 0.00 O ATOM 80 OE2 GLU A 5 62.088 0.482 -10.858 1.00 0.00 O ATOM 0 H GLU A 5 66.572 -2.110 -12.680 1.00 0.00 H new ATOM 0 HA GLU A 5 66.415 0.842 -12.562 1.00 0.00 H new ATOM 0 HB2 GLU A 5 65.255 -1.444 -11.176 1.00 0.00 H new ATOM 0 HB3 GLU A 5 66.006 -0.367 -10.015 1.00 0.00 H new ATOM 0 HG2 GLU A 5 64.588 1.426 -10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 5 64.364 0.909 -12.198 1.00 0.00 H new ATOM 87 N GLU A 6 69.048 -0.382 -11.897 1.00 0.00 N ATOM 88 CA GLU A 6 70.388 -0.233 -11.277 1.00 0.00 C ATOM 89 C GLU A 6 71.027 1.066 -11.747 1.00 0.00 C ATOM 90 O GLU A 6 72.138 1.402 -11.392 1.00 0.00 O ATOM 91 CB GLU A 6 71.265 -1.410 -11.680 1.00 0.00 C ATOM 92 CG GLU A 6 71.051 -2.568 -10.704 1.00 0.00 C ATOM 93 CD GLU A 6 71.514 -2.151 -9.306 1.00 0.00 C ATOM 94 OE1 GLU A 6 72.696 -1.893 -9.147 1.00 0.00 O ATOM 95 OE2 GLU A 6 70.678 -2.095 -8.419 1.00 0.00 O ATOM 0 H GLU A 6 69.035 -0.892 -12.780 1.00 0.00 H new ATOM 0 HA GLU A 6 70.286 -0.211 -10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 6 71.022 -1.727 -12.694 1.00 0.00 H new ATOM 0 HB3 GLU A 6 72.313 -1.112 -11.681 1.00 0.00 H new ATOM 0 HG2 GLU A 6 69.998 -2.848 -10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 6 71.607 -3.445 -11.036 1.00 0.00 H new ATOM 102 N LYS A 7 70.316 1.785 -12.543 1.00 0.00 N ATOM 103 CA LYS A 7 70.832 3.075 -13.066 1.00 0.00 C ATOM 104 C LYS A 7 69.700 4.109 -13.119 1.00 0.00 C ATOM 105 O LYS A 7 69.887 5.221 -13.569 1.00 0.00 O ATOM 106 CB LYS A 7 71.393 2.866 -14.473 1.00 0.00 C ATOM 107 CG LYS A 7 72.832 2.356 -14.377 1.00 0.00 C ATOM 108 CD LYS A 7 73.762 3.310 -15.131 1.00 0.00 C ATOM 109 CE LYS A 7 73.561 3.135 -16.638 1.00 0.00 C ATOM 110 NZ LYS A 7 74.500 4.029 -17.371 1.00 0.00 N ATOM 0 H LYS A 7 69.381 1.536 -12.864 1.00 0.00 H new ATOM 0 HA LYS A 7 71.620 3.438 -12.406 1.00 0.00 H new ATOM 0 HB2 LYS A 7 70.778 2.151 -15.019 1.00 0.00 H new ATOM 0 HB3 LYS A 7 71.364 3.802 -15.031 1.00 0.00 H new ATOM 0 HG2 LYS A 7 73.135 2.285 -13.332 1.00 0.00 H new ATOM 0 HG3 LYS A 7 72.903 1.353 -14.798 1.00 0.00 H new ATOM 0 HD2 LYS A 7 73.554 4.341 -14.843 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.800 3.108 -14.866 1.00 0.00 H new ATOM 0 HE2 LYS A 7 73.735 2.097 -16.921 1.00 0.00 H new ATOM 0 HE3 LYS A 7 72.532 3.371 -16.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 74.364 3.911 -18.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.313 5.018 -17.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.479 3.784 -17.121 1.00 0.00 H new ATOM 124 N GLN A 8 68.525 3.754 -12.667 1.00 0.00 N ATOM 125 CA GLN A 8 67.393 4.720 -12.699 1.00 0.00 C ATOM 126 C GLN A 8 67.741 5.950 -11.858 1.00 0.00 C ATOM 127 O GLN A 8 67.215 7.025 -12.066 1.00 0.00 O ATOM 128 CB GLN A 8 66.137 4.054 -12.135 1.00 0.00 C ATOM 129 CG GLN A 8 65.090 3.915 -13.241 1.00 0.00 C ATOM 130 CD GLN A 8 64.561 5.300 -13.620 1.00 0.00 C ATOM 131 OE1 GLN A 8 64.561 6.207 -12.809 1.00 0.00 O ATOM 132 NE2 GLN A 8 64.106 5.505 -14.825 1.00 0.00 N ATOM 0 H GLN A 8 68.303 2.838 -12.278 1.00 0.00 H new ATOM 0 HA GLN A 8 67.210 5.027 -13.729 1.00 0.00 H new ATOM 0 HB2 GLN A 8 66.384 3.073 -11.729 1.00 0.00 H new ATOM 0 HB3 GLN A 8 65.736 4.647 -11.313 1.00 0.00 H new ATOM 0 HG2 GLN A 8 65.529 3.431 -14.113 1.00 0.00 H new ATOM 0 HG3 GLN A 8 64.270 3.281 -12.903 1.00 0.00 H new ATOM 0 HE21 GLN A 8 64.105 4.746 -15.506 1.00 0.00 H new ATOM 0 HE22 GLN A 8 63.751 6.425 -15.086 1.00 0.00 H new ATOM 141 N LYS A 9 68.622 5.800 -10.906 1.00 0.00 N ATOM 142 CA LYS A 9 68.999 6.962 -10.054 1.00 0.00 C ATOM 143 C LYS A 9 69.947 6.499 -8.948 1.00 0.00 C ATOM 144 O LYS A 9 69.822 6.888 -7.803 1.00 0.00 O ATOM 145 CB LYS A 9 67.742 7.562 -9.425 1.00 0.00 C ATOM 146 CG LYS A 9 66.947 6.461 -8.722 1.00 0.00 C ATOM 147 CD LYS A 9 66.162 7.063 -7.555 1.00 0.00 C ATOM 148 CE LYS A 9 64.678 7.139 -7.922 1.00 0.00 C ATOM 149 NZ LYS A 9 63.991 8.099 -7.013 1.00 0.00 N ATOM 0 H LYS A 9 69.096 4.925 -10.682 1.00 0.00 H new ATOM 0 HA LYS A 9 69.495 7.714 -10.667 1.00 0.00 H new ATOM 0 HB2 LYS A 9 68.015 8.340 -8.712 1.00 0.00 H new ATOM 0 HB3 LYS A 9 67.129 8.034 -10.192 1.00 0.00 H new ATOM 0 HG2 LYS A 9 66.264 5.985 -9.426 1.00 0.00 H new ATOM 0 HG3 LYS A 9 67.622 5.686 -8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.295 6.454 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 9 66.541 8.058 -7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 9 64.564 7.458 -8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 9 64.221 6.153 -7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 62.982 8.151 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 64.089 7.776 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 64.421 9.040 -7.113 1.00 0.00 H new ATOM 163 N VAL A 10 70.894 5.669 -9.281 1.00 0.00 N ATOM 164 CA VAL A 10 71.847 5.177 -8.256 1.00 0.00 C ATOM 165 C VAL A 10 73.022 6.149 -8.143 1.00 0.00 C ATOM 166 O VAL A 10 73.147 6.881 -7.182 1.00 0.00 O ATOM 167 CB VAL A 10 72.365 3.797 -8.661 1.00 0.00 C ATOM 168 CG1 VAL A 10 73.453 3.350 -7.683 1.00 0.00 C ATOM 169 CG2 VAL A 10 71.210 2.792 -8.630 1.00 0.00 C ATOM 0 H VAL A 10 71.048 5.310 -10.223 1.00 0.00 H new ATOM 0 HA VAL A 10 71.340 5.107 -7.294 1.00 0.00 H new ATOM 0 HB VAL A 10 72.781 3.847 -9.667 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.821 2.366 -7.973 1.00 0.00 H new ATOM 0 HG12 VAL A 10 74.275 4.065 -7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 10 73.039 3.300 -6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.577 1.807 -8.919 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.796 2.744 -7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.434 3.108 -9.327 1.00 0.00 H new ATOM 179 N ILE A 11 73.886 6.152 -9.116 1.00 0.00 N ATOM 180 CA ILE A 11 75.058 7.063 -9.073 1.00 0.00 C ATOM 181 C ILE A 11 74.676 8.411 -9.661 1.00 0.00 C ATOM 182 O ILE A 11 74.970 9.455 -9.118 1.00 0.00 O ATOM 183 CB ILE A 11 76.222 6.438 -9.860 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.275 6.907 -11.330 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.109 4.916 -9.822 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.264 6.131 -12.167 1.00 0.00 C ATOM 0 H ILE A 11 73.830 5.559 -9.944 1.00 0.00 H new ATOM 0 HA ILE A 11 75.374 7.211 -8.040 1.00 0.00 H new ATOM 0 HB ILE A 11 77.143 6.769 -9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.062 7.974 -11.387 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.278 6.760 -11.730 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.935 4.476 -10.380 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.147 4.574 -8.788 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.164 4.610 -10.271 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.311 6.471 -13.202 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.496 5.067 -12.124 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.261 6.300 -11.775 1.00 0.00 H new ATOM 198 N GLN A 12 74.029 8.377 -10.777 1.00 0.00 N ATOM 199 CA GLN A 12 73.601 9.640 -11.454 1.00 0.00 C ATOM 200 C GLN A 12 73.161 10.635 -10.383 1.00 0.00 C ATOM 201 O GLN A 12 73.383 11.824 -10.486 1.00 0.00 O ATOM 202 CB GLN A 12 72.435 9.350 -12.405 1.00 0.00 C ATOM 203 CG GLN A 12 71.169 9.052 -11.598 1.00 0.00 C ATOM 204 CD GLN A 12 69.963 9.015 -12.538 1.00 0.00 C ATOM 205 OE1 GLN A 12 68.901 9.502 -12.203 1.00 0.00 O ATOM 206 NE2 GLN A 12 70.082 8.457 -13.711 1.00 0.00 N ATOM 0 H GLN A 12 73.769 7.520 -11.266 1.00 0.00 H new ATOM 0 HA GLN A 12 74.427 10.054 -12.032 1.00 0.00 H new ATOM 0 HB2 GLN A 12 72.267 10.205 -13.060 1.00 0.00 H new ATOM 0 HB3 GLN A 12 72.678 8.501 -13.044 1.00 0.00 H new ATOM 0 HG2 GLN A 12 71.270 8.098 -11.081 1.00 0.00 H new ATOM 0 HG3 GLN A 12 71.024 9.815 -10.833 1.00 0.00 H new ATOM 0 HE21 GLN A 12 70.973 8.048 -13.993 1.00 0.00 H new ATOM 0 HE22 GLN A 12 69.284 8.430 -14.346 1.00 0.00 H new ATOM 215 N GLU A 13 72.569 10.132 -9.337 1.00 0.00 N ATOM 216 CA GLU A 13 72.141 11.011 -8.225 1.00 0.00 C ATOM 217 C GLU A 13 73.283 11.088 -7.211 1.00 0.00 C ATOM 218 O GLU A 13 73.555 12.123 -6.635 1.00 0.00 O ATOM 219 CB GLU A 13 70.893 10.430 -7.556 1.00 0.00 C ATOM 220 CG GLU A 13 70.438 11.360 -6.429 1.00 0.00 C ATOM 221 CD GLU A 13 68.911 11.433 -6.412 1.00 0.00 C ATOM 222 OE1 GLU A 13 68.349 11.908 -7.385 1.00 0.00 O ATOM 223 OE2 GLU A 13 68.328 11.013 -5.426 1.00 0.00 O ATOM 0 H GLU A 13 72.364 9.141 -9.208 1.00 0.00 H new ATOM 0 HA GLU A 13 71.903 12.006 -8.601 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.095 10.313 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 13 71.109 9.438 -7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 13 70.806 10.994 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 13 70.859 12.355 -6.573 1.00 0.00 H new ATOM 230 N PHE A 14 73.955 9.988 -6.996 1.00 0.00 N ATOM 231 CA PHE A 14 75.082 9.964 -6.036 1.00 0.00 C ATOM 232 C PHE A 14 76.373 10.369 -6.746 1.00 0.00 C ATOM 233 O PHE A 14 76.926 11.421 -6.495 1.00 0.00 O ATOM 234 CB PHE A 14 75.230 8.551 -5.471 1.00 0.00 C ATOM 235 CG PHE A 14 74.184 8.323 -4.408 1.00 0.00 C ATOM 236 CD1 PHE A 14 73.939 9.309 -3.444 1.00 0.00 C ATOM 237 CD2 PHE A 14 73.456 7.126 -4.386 1.00 0.00 C ATOM 238 CE1 PHE A 14 72.968 9.098 -2.460 1.00 0.00 C ATOM 239 CE2 PHE A 14 72.485 6.916 -3.402 1.00 0.00 C ATOM 240 CZ PHE A 14 72.240 7.902 -2.438 1.00 0.00 C ATOM 0 H PHE A 14 73.763 9.097 -7.454 1.00 0.00 H new ATOM 0 HA PHE A 14 74.885 10.665 -5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 14 75.120 7.816 -6.268 1.00 0.00 H new ATOM 0 HB3 PHE A 14 76.227 8.419 -5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 14 74.500 10.232 -3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 14 73.645 6.365 -5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 14 72.779 9.858 -1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 14 71.924 5.993 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.490 7.740 -1.678 1.00 0.00 H new ATOM 250 N ALA A 15 76.860 9.545 -7.635 1.00 0.00 N ATOM 251 CA ALA A 15 78.114 9.893 -8.357 1.00 0.00 C ATOM 252 C ALA A 15 77.908 11.186 -9.142 1.00 0.00 C ATOM 253 O ALA A 15 77.006 11.295 -9.949 1.00 0.00 O ATOM 254 CB ALA A 15 78.476 8.770 -9.330 1.00 0.00 C ATOM 0 H ALA A 15 76.444 8.649 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 15 78.919 10.025 -7.634 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.395 9.027 -9.857 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.623 7.842 -8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.669 8.639 -10.051 1.00 0.00 H new ATOM 260 N ARG A 16 78.740 12.165 -8.924 1.00 0.00 N ATOM 261 CA ARG A 16 78.589 13.439 -9.675 1.00 0.00 C ATOM 262 C ARG A 16 79.455 13.380 -10.927 1.00 0.00 C ATOM 263 O ARG A 16 79.942 14.382 -11.414 1.00 0.00 O ATOM 264 CB ARG A 16 79.021 14.617 -8.798 1.00 0.00 C ATOM 265 CG ARG A 16 80.321 14.264 -8.071 1.00 0.00 C ATOM 266 CD ARG A 16 80.022 13.986 -6.598 1.00 0.00 C ATOM 267 NE ARG A 16 79.935 15.275 -5.857 1.00 0.00 N ATOM 268 CZ ARG A 16 79.315 15.329 -4.709 1.00 0.00 C ATOM 269 NH1 ARG A 16 78.029 15.548 -4.672 1.00 0.00 N ATOM 270 NH2 ARG A 16 79.982 15.165 -3.599 1.00 0.00 N ATOM 0 H ARG A 16 79.515 12.138 -8.261 1.00 0.00 H new ATOM 0 HA ARG A 16 77.545 13.577 -9.956 1.00 0.00 H new ATOM 0 HB2 ARG A 16 79.165 15.507 -9.411 1.00 0.00 H new ATOM 0 HB3 ARG A 16 78.240 14.851 -8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 16 80.781 13.390 -8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 16 81.034 15.084 -8.160 1.00 0.00 H new ATOM 0 HD2 ARG A 16 79.086 13.436 -6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 16 80.804 13.360 -6.169 1.00 0.00 H new ATOM 0 HE ARG A 16 80.360 16.116 -6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 16 77.508 15.677 -5.540 1.00 0.00 H new ATOM 0 HH12 ARG A 16 77.544 15.590 -3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 16 80.987 14.995 -3.628 1.00 0.00 H new ATOM 0 HH22 ARG A 16 79.498 15.207 -2.702 1.00 0.00 H new ATOM 284 N PHE A 17 79.654 12.204 -11.445 1.00 0.00 N ATOM 285 CA PHE A 17 80.489 12.050 -12.665 1.00 0.00 C ATOM 286 C PHE A 17 80.359 10.614 -13.169 1.00 0.00 C ATOM 287 O PHE A 17 79.832 9.765 -12.478 1.00 0.00 O ATOM 288 CB PHE A 17 81.951 12.343 -12.308 1.00 0.00 C ATOM 289 CG PHE A 17 82.272 13.784 -12.627 1.00 0.00 C ATOM 290 CD1 PHE A 17 81.831 14.354 -13.829 1.00 0.00 C ATOM 291 CD2 PHE A 17 83.012 14.552 -11.720 1.00 0.00 C ATOM 292 CE1 PHE A 17 82.130 15.690 -14.121 1.00 0.00 C ATOM 293 CE2 PHE A 17 83.311 15.889 -12.014 1.00 0.00 C ATOM 294 CZ PHE A 17 82.870 16.457 -13.214 1.00 0.00 C ATOM 0 H PHE A 17 79.271 11.335 -11.073 1.00 0.00 H new ATOM 0 HA PHE A 17 80.160 12.742 -13.441 1.00 0.00 H new ATOM 0 HB2 PHE A 17 82.124 12.147 -11.250 1.00 0.00 H new ATOM 0 HB3 PHE A 17 82.612 11.680 -12.867 1.00 0.00 H new ATOM 0 HD1 PHE A 17 81.261 13.763 -14.530 1.00 0.00 H new ATOM 0 HD2 PHE A 17 83.352 14.114 -10.793 1.00 0.00 H new ATOM 0 HE1 PHE A 17 81.789 16.129 -15.047 1.00 0.00 H new ATOM 0 HE2 PHE A 17 83.882 16.481 -11.314 1.00 0.00 H new ATOM 0 HZ PHE A 17 83.101 17.487 -13.440 1.00 0.00 H new ATOM 304 N PRO A 18 80.856 10.379 -14.352 1.00 0.00 N ATOM 305 CA PRO A 18 80.821 9.044 -14.966 1.00 0.00 C ATOM 306 C PRO A 18 81.843 8.131 -14.284 1.00 0.00 C ATOM 307 O PRO A 18 81.982 6.972 -14.621 1.00 0.00 O ATOM 308 CB PRO A 18 81.180 9.310 -16.431 1.00 0.00 C ATOM 309 CG PRO A 18 81.922 10.667 -16.456 1.00 0.00 C ATOM 310 CD PRO A 18 81.502 11.417 -15.183 1.00 0.00 C ATOM 0 HA PRO A 18 79.859 8.540 -14.869 1.00 0.00 H new ATOM 0 HB2 PRO A 18 81.811 8.514 -16.827 1.00 0.00 H new ATOM 0 HB3 PRO A 18 80.284 9.345 -17.051 1.00 0.00 H new ATOM 0 HG2 PRO A 18 83.002 10.518 -16.480 1.00 0.00 H new ATOM 0 HG3 PRO A 18 81.658 11.237 -17.347 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.362 11.856 -14.676 1.00 0.00 H new ATOM 0 HD3 PRO A 18 80.815 12.232 -15.409 1.00 0.00 H new ATOM 318 N GLY A 19 82.552 8.648 -13.314 1.00 0.00 N ATOM 319 CA GLY A 19 83.555 7.820 -12.594 1.00 0.00 C ATOM 320 C GLY A 19 83.416 8.053 -11.084 1.00 0.00 C ATOM 321 O GLY A 19 84.156 7.500 -10.294 1.00 0.00 O ATOM 0 H GLY A 19 82.476 9.613 -12.991 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.407 6.765 -12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.561 8.080 -12.922 1.00 0.00 H new ATOM 325 N ASP A 20 82.472 8.865 -10.674 1.00 0.00 N ATOM 326 CA ASP A 20 82.296 9.121 -9.221 1.00 0.00 C ATOM 327 C ASP A 20 81.306 8.118 -8.642 1.00 0.00 C ATOM 328 O ASP A 20 80.736 8.316 -7.586 1.00 0.00 O ATOM 329 CB ASP A 20 81.786 10.547 -9.000 1.00 0.00 C ATOM 330 CG ASP A 20 82.948 11.446 -8.573 1.00 0.00 C ATOM 331 OD1 ASP A 20 83.787 10.976 -7.821 1.00 0.00 O ATOM 332 OD2 ASP A 20 82.978 12.586 -9.003 1.00 0.00 O ATOM 0 H ASP A 20 81.820 9.358 -11.285 1.00 0.00 H new ATOM 0 HA ASP A 20 83.256 9.009 -8.717 1.00 0.00 H new ATOM 0 HB2 ASP A 20 81.335 10.929 -9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 20 81.009 10.552 -8.236 1.00 0.00 H new ATOM 337 N THR A 21 81.121 7.040 -9.327 1.00 0.00 N ATOM 338 CA THR A 21 80.189 5.982 -8.844 1.00 0.00 C ATOM 339 C THR A 21 81.005 4.915 -8.123 1.00 0.00 C ATOM 340 O THR A 21 80.493 4.153 -7.327 1.00 0.00 O ATOM 341 CB THR A 21 79.455 5.353 -10.031 1.00 0.00 C ATOM 342 OG1 THR A 21 78.984 4.065 -9.662 1.00 0.00 O ATOM 343 CG2 THR A 21 80.410 5.227 -11.217 1.00 0.00 C ATOM 0 H THR A 21 81.579 6.835 -10.215 1.00 0.00 H new ATOM 0 HA THR A 21 79.453 6.415 -8.167 1.00 0.00 H new ATOM 0 HB THR A 21 78.612 5.984 -10.313 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.775 3.550 -10.469 1.00 0.00 H new ATOM 0 HG21 THR A 21 79.885 4.779 -12.061 1.00 0.00 H new ATOM 0 HG22 THR A 21 80.773 6.216 -11.499 1.00 0.00 H new ATOM 0 HG23 THR A 21 81.254 4.596 -10.939 1.00 0.00 H new ATOM 351 N GLY A 22 82.280 4.869 -8.388 1.00 0.00 N ATOM 352 CA GLY A 22 83.147 3.868 -7.712 1.00 0.00 C ATOM 353 C GLY A 22 83.696 4.484 -6.425 1.00 0.00 C ATOM 354 O GLY A 22 84.324 3.819 -5.624 1.00 0.00 O ATOM 0 H GLY A 22 82.759 5.484 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.578 2.966 -7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.965 3.572 -8.368 1.00 0.00 H new ATOM 358 N SER A 23 83.462 5.754 -6.221 1.00 0.00 N ATOM 359 CA SER A 23 83.967 6.417 -4.986 1.00 0.00 C ATOM 360 C SER A 23 83.471 5.649 -3.758 1.00 0.00 C ATOM 361 O SER A 23 82.979 4.544 -3.863 1.00 0.00 O ATOM 362 CB SER A 23 83.452 7.856 -4.932 1.00 0.00 C ATOM 363 OG SER A 23 84.458 8.693 -4.377 1.00 0.00 O ATOM 0 H SER A 23 82.943 6.359 -6.857 1.00 0.00 H new ATOM 0 HA SER A 23 85.057 6.423 -4.995 1.00 0.00 H new ATOM 0 HB2 SER A 23 83.189 8.198 -5.933 1.00 0.00 H new ATOM 0 HB3 SER A 23 82.546 7.908 -4.329 1.00 0.00 H new ATOM 0 HG SER A 23 84.133 9.617 -4.342 1.00 0.00 H new ATOM 369 N THR A 24 83.597 6.225 -2.594 1.00 0.00 N ATOM 370 CA THR A 24 83.132 5.523 -1.364 1.00 0.00 C ATOM 371 C THR A 24 81.690 5.930 -1.052 1.00 0.00 C ATOM 372 O THR A 24 80.977 5.232 -0.361 1.00 0.00 O ATOM 373 CB THR A 24 84.035 5.901 -0.188 1.00 0.00 C ATOM 374 OG1 THR A 24 85.284 5.237 -0.320 1.00 0.00 O ATOM 375 CG2 THR A 24 83.368 5.481 1.124 1.00 0.00 C ATOM 0 H THR A 24 84.001 7.149 -2.441 1.00 0.00 H new ATOM 0 HA THR A 24 83.176 4.446 -1.525 1.00 0.00 H new ATOM 0 HB THR A 24 84.195 6.979 -0.183 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.864 5.479 0.432 1.00 0.00 H new ATOM 0 HG21 THR A 24 84.011 5.750 1.962 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.410 5.990 1.224 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.208 4.403 1.122 1.00 0.00 H new ATOM 383 N GLU A 25 81.255 7.053 -1.549 1.00 0.00 N ATOM 384 CA GLU A 25 79.864 7.496 -1.275 1.00 0.00 C ATOM 385 C GLU A 25 78.895 6.645 -2.092 1.00 0.00 C ATOM 386 O GLU A 25 78.006 6.008 -1.563 1.00 0.00 O ATOM 387 CB GLU A 25 79.719 8.960 -1.682 1.00 0.00 C ATOM 388 CG GLU A 25 80.532 9.837 -0.731 1.00 0.00 C ATOM 389 CD GLU A 25 81.209 10.958 -1.522 1.00 0.00 C ATOM 390 OE1 GLU A 25 81.785 10.663 -2.555 1.00 0.00 O ATOM 391 OE2 GLU A 25 81.138 12.093 -1.080 1.00 0.00 O ATOM 0 H GLU A 25 81.804 7.683 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 25 79.642 7.385 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 25 80.064 9.099 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.670 9.253 -1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.882 10.260 0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.282 9.236 -0.217 1.00 0.00 H new ATOM 398 N VAL A 26 79.061 6.639 -3.383 1.00 0.00 N ATOM 399 CA VAL A 26 78.157 5.841 -4.253 1.00 0.00 C ATOM 400 C VAL A 26 78.269 4.356 -3.901 1.00 0.00 C ATOM 401 O VAL A 26 77.333 3.601 -4.075 1.00 0.00 O ATOM 402 CB VAL A 26 78.546 6.054 -5.719 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.857 5.003 -6.594 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.105 7.450 -6.162 1.00 0.00 C ATOM 0 H VAL A 26 79.789 7.156 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 26 77.128 6.165 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 26 79.627 5.959 -5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 26 78.136 5.158 -7.636 1.00 0.00 H new ATOM 0 HG12 VAL A 26 78.168 4.007 -6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.776 5.095 -6.490 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.381 7.605 -7.205 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.024 7.541 -6.055 1.00 0.00 H new ATOM 0 HG23 VAL A 26 78.596 8.200 -5.542 1.00 0.00 H new ATOM 414 N GLN A 27 79.398 3.925 -3.407 1.00 0.00 N ATOM 415 CA GLN A 27 79.535 2.490 -3.053 1.00 0.00 C ATOM 416 C GLN A 27 78.762 2.223 -1.769 1.00 0.00 C ATOM 417 O GLN A 27 77.992 1.291 -1.680 1.00 0.00 O ATOM 418 CB GLN A 27 81.011 2.139 -2.857 1.00 0.00 C ATOM 419 CG GLN A 27 81.587 1.596 -4.167 1.00 0.00 C ATOM 420 CD GLN A 27 82.388 0.324 -3.886 1.00 0.00 C ATOM 421 OE1 GLN A 27 81.823 -0.732 -3.682 1.00 0.00 O ATOM 422 NE2 GLN A 27 83.691 0.379 -3.866 1.00 0.00 N ATOM 0 H GLN A 27 80.222 4.501 -3.236 1.00 0.00 H new ATOM 0 HA GLN A 27 79.135 1.873 -3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 27 81.567 3.022 -2.542 1.00 0.00 H new ATOM 0 HB3 GLN A 27 81.117 1.397 -2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 27 80.781 1.383 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 27 82.227 2.345 -4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 27 84.167 1.265 -4.037 1.00 0.00 H new ATOM 0 HE22 GLN A 27 84.234 -0.464 -3.679 1.00 0.00 H new ATOM 431 N VAL A 28 78.941 3.045 -0.777 1.00 0.00 N ATOM 432 CA VAL A 28 78.188 2.840 0.485 1.00 0.00 C ATOM 433 C VAL A 28 76.722 2.617 0.123 1.00 0.00 C ATOM 434 O VAL A 28 76.029 1.843 0.747 1.00 0.00 O ATOM 435 CB VAL A 28 78.335 4.088 1.366 1.00 0.00 C ATOM 436 CG1 VAL A 28 77.265 4.093 2.462 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.721 4.088 2.015 1.00 0.00 C ATOM 0 H VAL A 28 79.573 3.846 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 28 78.570 1.979 1.034 1.00 0.00 H new ATOM 0 HB VAL A 28 78.213 4.976 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 28 77.381 4.984 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 28 76.276 4.095 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 28 77.376 3.204 3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.829 4.973 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.836 3.194 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 28 80.486 4.097 1.239 1.00 0.00 H new ATOM 447 N ALA A 29 76.246 3.275 -0.900 1.00 0.00 N ATOM 448 CA ALA A 29 74.834 3.070 -1.301 1.00 0.00 C ATOM 449 C ALA A 29 74.684 1.649 -1.832 1.00 0.00 C ATOM 450 O ALA A 29 73.751 0.947 -1.498 1.00 0.00 O ATOM 451 CB ALA A 29 74.449 4.072 -2.389 1.00 0.00 C ATOM 0 H ALA A 29 76.772 3.939 -1.468 1.00 0.00 H new ATOM 0 HA ALA A 29 74.179 3.220 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 29 73.410 3.914 -2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.570 5.086 -2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 29 75.092 3.931 -3.258 1.00 0.00 H new ATOM 457 N LEU A 30 75.606 1.209 -2.645 1.00 0.00 N ATOM 458 CA LEU A 30 75.515 -0.172 -3.173 1.00 0.00 C ATOM 459 C LEU A 30 75.748 -1.152 -2.017 1.00 0.00 C ATOM 460 O LEU A 30 75.515 -2.338 -2.135 1.00 0.00 O ATOM 461 CB LEU A 30 76.562 -0.370 -4.282 1.00 0.00 C ATOM 462 CG LEU A 30 77.886 -0.881 -3.701 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.904 -2.410 -3.735 1.00 0.00 C ATOM 464 CD2 LEU A 30 79.050 -0.342 -4.535 1.00 0.00 C ATOM 0 H LEU A 30 76.413 1.747 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 30 74.530 -0.353 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 30 76.186 -1.079 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.729 0.573 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 30 77.985 -0.539 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 30 78.845 -2.772 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 30 77.075 -2.797 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.804 -2.752 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.992 -0.705 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.949 -0.684 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 30 79.040 0.748 -4.512 1.00 0.00 H new ATOM 476 N LEU A 31 76.205 -0.654 -0.895 1.00 0.00 N ATOM 477 CA LEU A 31 76.451 -1.539 0.267 1.00 0.00 C ATOM 478 C LEU A 31 75.090 -1.959 0.832 1.00 0.00 C ATOM 479 O LEU A 31 74.935 -3.010 1.420 1.00 0.00 O ATOM 480 CB LEU A 31 77.264 -0.769 1.330 1.00 0.00 C ATOM 481 CG LEU A 31 76.325 -0.129 2.354 1.00 0.00 C ATOM 482 CD1 LEU A 31 75.982 -1.152 3.437 1.00 0.00 C ATOM 483 CD2 LEU A 31 76.996 1.083 2.998 1.00 0.00 C ATOM 0 H LEU A 31 76.417 0.332 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 31 77.018 -2.422 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 31 77.953 -1.447 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 31 77.868 0.001 0.849 1.00 0.00 H new ATOM 0 HG LEU A 31 75.415 0.194 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 31 75.313 -0.698 4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 31 75.492 -2.013 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 31 76.896 -1.476 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 31 76.318 1.530 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.911 0.768 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 31 77.238 1.816 2.229 1.00 0.00 H new ATOM 495 N THR A 32 74.109 -1.114 0.658 1.00 0.00 N ATOM 496 CA THR A 32 72.748 -1.410 1.176 1.00 0.00 C ATOM 497 C THR A 32 72.052 -2.422 0.256 1.00 0.00 C ATOM 498 O THR A 32 71.458 -3.381 0.708 1.00 0.00 O ATOM 499 CB THR A 32 71.953 -0.091 1.244 1.00 0.00 C ATOM 500 OG1 THR A 32 71.046 -0.145 2.335 1.00 0.00 O ATOM 501 CG2 THR A 32 71.174 0.141 -0.054 1.00 0.00 C ATOM 0 H THR A 32 74.197 -0.221 0.173 1.00 0.00 H new ATOM 0 HA THR A 32 72.807 -1.846 2.173 1.00 0.00 H new ATOM 0 HB THR A 32 72.654 0.732 1.381 1.00 0.00 H new ATOM 0 HG1 THR A 32 70.540 0.693 2.382 1.00 0.00 H new ATOM 0 HG21 THR A 32 70.620 1.077 0.016 1.00 0.00 H new ATOM 0 HG22 THR A 32 71.870 0.193 -0.892 1.00 0.00 H new ATOM 0 HG23 THR A 32 70.477 -0.682 -0.212 1.00 0.00 H new ATOM 509 N LEU A 33 72.120 -2.212 -1.031 1.00 0.00 N ATOM 510 CA LEU A 33 71.462 -3.158 -1.976 1.00 0.00 C ATOM 511 C LEU A 33 71.977 -4.576 -1.721 1.00 0.00 C ATOM 512 O LEU A 33 71.227 -5.463 -1.365 1.00 0.00 O ATOM 513 CB LEU A 33 71.785 -2.748 -3.414 1.00 0.00 C ATOM 514 CG LEU A 33 70.515 -2.232 -4.095 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.698 -0.760 -4.469 1.00 0.00 C ATOM 516 CD2 LEU A 33 70.248 -3.049 -5.361 1.00 0.00 C ATOM 0 H LEU A 33 72.602 -1.427 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 33 70.383 -3.132 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.553 -1.975 -3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 33 72.186 -3.599 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 33 69.671 -2.331 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.794 -0.393 -4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.889 -0.177 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 33 71.542 -0.660 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.344 -2.682 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.092 -2.949 -6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 33 70.118 -4.098 -5.096 1.00 0.00 H new ATOM 528 N ARG A 34 73.250 -4.798 -1.901 1.00 0.00 N ATOM 529 CA ARG A 34 73.810 -6.160 -1.669 1.00 0.00 C ATOM 530 C ARG A 34 73.386 -6.661 -0.286 1.00 0.00 C ATOM 531 O ARG A 34 73.392 -7.846 -0.016 1.00 0.00 O ATOM 532 CB ARG A 34 75.336 -6.103 -1.745 1.00 0.00 C ATOM 533 CG ARG A 34 75.795 -6.510 -3.147 1.00 0.00 C ATOM 534 CD ARG A 34 77.281 -6.186 -3.313 1.00 0.00 C ATOM 535 NE ARG A 34 77.816 -6.902 -4.505 1.00 0.00 N ATOM 536 CZ ARG A 34 78.988 -7.473 -4.450 1.00 0.00 C ATOM 537 NH1 ARG A 34 79.151 -8.565 -3.755 1.00 0.00 N ATOM 538 NH2 ARG A 34 79.998 -6.951 -5.091 1.00 0.00 N ATOM 0 H ARG A 34 73.927 -4.095 -2.199 1.00 0.00 H new ATOM 0 HA ARG A 34 73.433 -6.841 -2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.684 -5.096 -1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 34 75.773 -6.769 -1.001 1.00 0.00 H new ATOM 0 HG2 ARG A 34 75.625 -7.576 -3.302 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.211 -5.981 -3.900 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.419 -5.111 -3.429 1.00 0.00 H new ATOM 0 HD3 ARG A 34 77.831 -6.483 -2.420 1.00 0.00 H new ATOM 0 HE ARG A 34 77.267 -6.946 -5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.362 -8.973 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 34 80.068 -9.011 -3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 34 79.871 -6.097 -5.634 1.00 0.00 H new ATOM 0 HH22 ARG A 34 80.914 -7.397 -5.048 1.00 0.00 H new ATOM 552 N ILE A 35 73.018 -5.770 0.591 1.00 0.00 N ATOM 553 CA ILE A 35 72.597 -6.181 1.950 1.00 0.00 C ATOM 554 C ILE A 35 71.211 -6.828 1.864 1.00 0.00 C ATOM 555 O ILE A 35 70.999 -7.940 2.302 1.00 0.00 O ATOM 556 CB ILE A 35 72.569 -4.924 2.836 1.00 0.00 C ATOM 557 CG1 ILE A 35 73.668 -5.023 3.891 1.00 0.00 C ATOM 558 CG2 ILE A 35 71.215 -4.756 3.530 1.00 0.00 C ATOM 559 CD1 ILE A 35 74.440 -3.706 3.926 1.00 0.00 C ATOM 0 H ILE A 35 72.992 -4.765 0.418 1.00 0.00 H new ATOM 0 HA ILE A 35 73.287 -6.907 2.380 1.00 0.00 H new ATOM 0 HB ILE A 35 72.734 -4.056 2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 35 73.234 -5.232 4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 35 74.341 -5.848 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 35 71.232 -3.858 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 35 70.430 -4.666 2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 35 71.018 -5.625 4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 35 75.228 -3.766 4.677 1.00 0.00 H new ATOM 0 HD12 ILE A 35 74.884 -3.518 2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.760 -2.892 4.178 1.00 0.00 H new ATOM 571 N ASN A 36 70.269 -6.117 1.316 1.00 0.00 N ATOM 572 CA ASN A 36 68.886 -6.655 1.201 1.00 0.00 C ATOM 573 C ASN A 36 68.887 -7.950 0.379 1.00 0.00 C ATOM 574 O ASN A 36 68.218 -8.906 0.719 1.00 0.00 O ATOM 575 CB ASN A 36 67.993 -5.619 0.514 1.00 0.00 C ATOM 576 CG ASN A 36 67.651 -4.504 1.504 1.00 0.00 C ATOM 577 OD1 ASN A 36 67.474 -4.752 2.680 1.00 0.00 O ATOM 578 ND2 ASN A 36 67.551 -3.276 1.074 1.00 0.00 N ATOM 0 H ASN A 36 70.398 -5.178 0.939 1.00 0.00 H new ATOM 0 HA ASN A 36 68.505 -6.869 2.200 1.00 0.00 H new ATOM 0 HB2 ASN A 36 68.502 -5.204 -0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 36 67.080 -6.092 0.153 1.00 0.00 H new ATOM 0 HD21 ASN A 36 67.324 -2.524 1.725 1.00 0.00 H new ATOM 0 HD22 ASN A 36 67.700 -3.068 0.087 1.00 0.00 H new ATOM 585 N ARG A 37 69.618 -7.990 -0.704 1.00 0.00 N ATOM 586 CA ARG A 37 69.637 -9.225 -1.536 1.00 0.00 C ATOM 587 C ARG A 37 70.635 -10.230 -0.972 1.00 0.00 C ATOM 588 O ARG A 37 70.937 -11.239 -1.577 1.00 0.00 O ATOM 589 CB ARG A 37 70.017 -8.872 -2.973 1.00 0.00 C ATOM 590 CG ARG A 37 69.025 -9.521 -3.941 1.00 0.00 C ATOM 591 CD ARG A 37 69.665 -10.756 -4.576 1.00 0.00 C ATOM 592 NE ARG A 37 69.701 -10.591 -6.057 1.00 0.00 N ATOM 593 CZ ARG A 37 70.666 -9.912 -6.614 1.00 0.00 C ATOM 594 NH1 ARG A 37 70.940 -8.706 -6.199 1.00 0.00 N ATOM 595 NH2 ARG A 37 71.358 -10.440 -7.587 1.00 0.00 N ATOM 0 H ARG A 37 70.199 -7.224 -1.046 1.00 0.00 H new ATOM 0 HA ARG A 37 68.643 -9.673 -1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 37 70.014 -7.790 -3.105 1.00 0.00 H new ATOM 0 HB3 ARG A 37 71.028 -9.217 -3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 37 68.115 -9.802 -3.411 1.00 0.00 H new ATOM 0 HG3 ARG A 37 68.737 -8.809 -4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 37 70.675 -10.894 -4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 37 69.098 -11.649 -4.312 1.00 0.00 H new ATOM 0 HE ARG A 37 68.972 -11.009 -6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 37 70.400 -8.293 -5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 37 71.695 -8.176 -6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 37 71.144 -11.383 -7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 37 72.112 -9.909 -8.023 1.00 0.00 H new ATOM 609 N LEU A 38 71.129 -9.958 0.187 1.00 0.00 N ATOM 610 CA LEU A 38 72.098 -10.879 0.832 1.00 0.00 C ATOM 611 C LEU A 38 71.336 -11.870 1.713 1.00 0.00 C ATOM 612 O LEU A 38 71.688 -13.028 1.815 1.00 0.00 O ATOM 613 CB LEU A 38 73.077 -10.075 1.691 1.00 0.00 C ATOM 614 CG LEU A 38 74.505 -10.294 1.185 1.00 0.00 C ATOM 615 CD1 LEU A 38 74.966 -11.706 1.548 1.00 0.00 C ATOM 616 CD2 LEU A 38 74.540 -10.122 -0.336 1.00 0.00 C ATOM 0 H LEU A 38 70.903 -9.124 0.729 1.00 0.00 H new ATOM 0 HA LEU A 38 72.655 -11.421 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 38 72.825 -9.015 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 38 72.999 -10.383 2.734 1.00 0.00 H new ATOM 0 HG LEU A 38 75.169 -9.565 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 38 75.983 -11.861 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 38 74.942 -11.829 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 38 74.302 -12.436 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.557 -10.278 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 38 73.875 -10.850 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 38 74.213 -9.115 -0.596 1.00 0.00 H new ATOM 628 N SER A 39 70.294 -11.415 2.354 1.00 0.00 N ATOM 629 CA SER A 39 69.501 -12.316 3.236 1.00 0.00 C ATOM 630 C SER A 39 68.753 -13.343 2.383 1.00 0.00 C ATOM 631 O SER A 39 68.663 -14.504 2.729 1.00 0.00 O ATOM 632 CB SER A 39 68.496 -11.485 4.035 1.00 0.00 C ATOM 633 OG SER A 39 67.606 -12.355 4.721 1.00 0.00 O ATOM 0 H SER A 39 69.957 -10.454 2.304 1.00 0.00 H new ATOM 0 HA SER A 39 70.171 -12.837 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 39 69.019 -10.847 4.747 1.00 0.00 H new ATOM 0 HB3 SER A 39 67.938 -10.828 3.368 1.00 0.00 H new ATOM 0 HG SER A 39 66.962 -11.825 5.235 1.00 0.00 H new ATOM 639 N GLU A 40 68.212 -12.924 1.272 1.00 0.00 N ATOM 640 CA GLU A 40 67.469 -13.873 0.402 1.00 0.00 C ATOM 641 C GLU A 40 68.417 -14.484 -0.619 1.00 0.00 C ATOM 642 O GLU A 40 68.015 -14.982 -1.652 1.00 0.00 O ATOM 643 CB GLU A 40 66.358 -13.128 -0.326 1.00 0.00 C ATOM 644 CG GLU A 40 64.997 -13.661 0.128 1.00 0.00 C ATOM 645 CD GLU A 40 64.487 -12.823 1.303 1.00 0.00 C ATOM 646 OE1 GLU A 40 65.164 -11.876 1.668 1.00 0.00 O ATOM 647 OE2 GLU A 40 63.429 -13.145 1.819 1.00 0.00 O ATOM 0 H GLU A 40 68.254 -11.964 0.930 1.00 0.00 H new ATOM 0 HA GLU A 40 67.040 -14.664 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 40 66.428 -12.060 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 40 66.468 -13.254 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 40 64.285 -13.621 -0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 40 65.084 -14.706 0.424 1.00 0.00 H new ATOM 654 N HIS A 41 69.673 -14.443 -0.327 1.00 0.00 N ATOM 655 CA HIS A 41 70.685 -15.009 -1.253 1.00 0.00 C ATOM 656 C HIS A 41 70.902 -16.489 -0.936 1.00 0.00 C ATOM 657 O HIS A 41 70.726 -17.347 -1.776 1.00 0.00 O ATOM 658 CB HIS A 41 72.005 -14.253 -1.091 1.00 0.00 C ATOM 659 CG HIS A 41 72.431 -13.699 -2.422 1.00 0.00 C ATOM 660 ND1 HIS A 41 71.740 -13.030 -3.402 1.00 0.00 N flip ATOM 661 CD2 HIS A 41 73.734 -13.806 -2.884 1.00 0.00 C flip ATOM 662 CE1 HIS A 41 72.597 -12.727 -4.456 1.00 0.00 C flip ATOM 663 NE2 HIS A 41 73.785 -13.216 -4.092 1.00 0.00 N flip ATOM 0 H HIS A 41 70.054 -14.036 0.527 1.00 0.00 H new ATOM 0 HA HIS A 41 70.332 -14.908 -2.279 1.00 0.00 H new ATOM 0 HB2 HIS A 41 71.887 -13.445 -0.369 1.00 0.00 H new ATOM 0 HB3 HIS A 41 72.773 -14.920 -0.700 1.00 0.00 H new ATOM 0 HD2 HIS A 41 74.558 -14.277 -2.368 1.00 0.00 H new ATOM 0 HE1 HIS A 41 72.354 -12.208 -5.371 1.00 0.00 H new ATOM 0 HE2 HIS A 41 74.629 -13.150 -4.661 1.00 0.00 H new ATOM 671 N LEU A 42 71.286 -16.788 0.271 1.00 0.00 N ATOM 672 CA LEU A 42 71.524 -18.203 0.657 1.00 0.00 C ATOM 673 C LEU A 42 70.190 -18.952 0.732 1.00 0.00 C ATOM 674 O LEU A 42 70.151 -20.147 0.954 1.00 0.00 O ATOM 675 CB LEU A 42 72.196 -18.235 2.026 1.00 0.00 C ATOM 676 CG LEU A 42 73.671 -17.860 1.883 1.00 0.00 C ATOM 677 CD1 LEU A 42 73.869 -16.401 2.300 1.00 0.00 C ATOM 678 CD2 LEU A 42 74.517 -18.765 2.782 1.00 0.00 C ATOM 0 H LEU A 42 71.446 -16.106 1.013 1.00 0.00 H new ATOM 0 HA LEU A 42 72.163 -18.681 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 42 71.698 -17.541 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 42 72.104 -19.229 2.464 1.00 0.00 H new ATOM 0 HG LEU A 42 73.979 -17.987 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 42 74.921 -16.133 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 42 73.267 -15.755 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 42 73.561 -16.274 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 42 75.569 -18.498 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 42 74.209 -18.638 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 42 74.376 -19.805 2.487 1.00 0.00 H new ATOM 690 N LYS A 43 69.095 -18.262 0.550 1.00 0.00 N ATOM 691 CA LYS A 43 67.767 -18.937 0.613 1.00 0.00 C ATOM 692 C LYS A 43 67.426 -19.554 -0.742 1.00 0.00 C ATOM 693 O LYS A 43 66.293 -19.881 -1.033 1.00 0.00 O ATOM 694 CB LYS A 43 66.695 -17.920 0.988 1.00 0.00 C ATOM 695 CG LYS A 43 66.257 -18.146 2.437 1.00 0.00 C ATOM 696 CD LYS A 43 64.856 -18.759 2.460 1.00 0.00 C ATOM 697 CE LYS A 43 64.199 -18.482 3.813 1.00 0.00 C ATOM 698 NZ LYS A 43 63.997 -19.767 4.540 1.00 0.00 N ATOM 0 H LYS A 43 69.064 -17.260 0.360 1.00 0.00 H new ATOM 0 HA LYS A 43 67.806 -19.725 1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 43 67.082 -16.908 0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 43 65.839 -18.015 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 43 66.962 -18.806 2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 43 66.260 -17.201 2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 43 64.251 -18.339 1.657 1.00 0.00 H new ATOM 0 HD3 LYS A 43 64.915 -19.833 2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 43 64.825 -17.813 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 43 63.243 -17.979 3.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 63.550 -19.579 5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 63.383 -20.391 3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 64.916 -20.229 4.690 1.00 0.00 H new ATOM 712 N VAL A 44 68.413 -19.715 -1.555 1.00 0.00 N ATOM 713 CA VAL A 44 68.220 -20.311 -2.899 1.00 0.00 C ATOM 714 C VAL A 44 69.577 -20.819 -3.387 1.00 0.00 C ATOM 715 O VAL A 44 69.691 -21.883 -3.962 1.00 0.00 O ATOM 716 CB VAL A 44 67.692 -19.241 -3.854 1.00 0.00 C ATOM 717 CG1 VAL A 44 67.860 -19.709 -5.301 1.00 0.00 C ATOM 718 CG2 VAL A 44 66.210 -18.992 -3.569 1.00 0.00 C ATOM 0 H VAL A 44 69.376 -19.453 -1.343 1.00 0.00 H new ATOM 0 HA VAL A 44 67.504 -21.131 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 44 68.254 -18.319 -3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.482 -18.942 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.916 -19.885 -5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 44 67.302 -20.633 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 44 65.832 -18.229 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 44 65.651 -19.917 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 44 66.089 -18.653 -2.540 1.00 0.00 H new ATOM 728 N HIS A 45 70.608 -20.058 -3.140 1.00 0.00 N ATOM 729 CA HIS A 45 71.975 -20.467 -3.556 1.00 0.00 C ATOM 730 C HIS A 45 72.306 -21.834 -2.955 1.00 0.00 C ATOM 731 O HIS A 45 71.582 -22.350 -2.126 1.00 0.00 O ATOM 732 CB HIS A 45 72.974 -19.429 -3.042 1.00 0.00 C ATOM 733 CG HIS A 45 73.177 -18.364 -4.085 1.00 0.00 C ATOM 734 ND1 HIS A 45 73.624 -18.656 -5.364 1.00 0.00 N ATOM 735 CD2 HIS A 45 73.000 -17.003 -4.052 1.00 0.00 C ATOM 736 CE1 HIS A 45 73.699 -17.497 -6.042 1.00 0.00 C ATOM 737 NE2 HIS A 45 73.330 -16.458 -5.289 1.00 0.00 N ATOM 0 H HIS A 45 70.558 -19.159 -2.661 1.00 0.00 H new ATOM 0 HA HIS A 45 72.029 -20.532 -4.643 1.00 0.00 H new ATOM 0 HB2 HIS A 45 72.607 -18.982 -2.118 1.00 0.00 H new ATOM 0 HB3 HIS A 45 73.924 -19.909 -2.808 1.00 0.00 H new ATOM 0 HD2 HIS A 45 72.657 -16.441 -3.196 1.00 0.00 H new ATOM 0 HE1 HIS A 45 74.019 -17.416 -7.070 1.00 0.00 H new ATOM 0 HE2 HIS A 45 73.297 -15.476 -5.562 1.00 0.00 H new ATOM 745 N LYS A 46 73.397 -22.423 -3.361 1.00 0.00 N ATOM 746 CA LYS A 46 73.778 -23.748 -2.812 1.00 0.00 C ATOM 747 C LYS A 46 74.571 -23.549 -1.519 1.00 0.00 C ATOM 748 O LYS A 46 75.681 -24.022 -1.383 1.00 0.00 O ATOM 749 CB LYS A 46 74.639 -24.498 -3.831 1.00 0.00 C ATOM 750 CG LYS A 46 73.736 -25.225 -4.828 1.00 0.00 C ATOM 751 CD LYS A 46 74.566 -26.232 -5.629 1.00 0.00 C ATOM 752 CE LYS A 46 74.670 -25.766 -7.082 1.00 0.00 C ATOM 753 NZ LYS A 46 75.439 -26.770 -7.871 1.00 0.00 N ATOM 0 H LYS A 46 74.041 -22.039 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 46 72.879 -24.329 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.290 -23.799 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 46 75.284 -25.213 -3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.933 -25.738 -4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.267 -24.507 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 46 75.561 -26.327 -5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 46 74.103 -27.218 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 46 73.674 -25.639 -7.507 1.00 0.00 H new ATOM 0 HE3 LYS A 46 75.163 -24.795 -7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 75.510 -26.454 -8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 76.393 -26.870 -7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 74.951 -27.688 -7.835 1.00 0.00 H new ATOM 767 N LYS A 47 74.011 -22.843 -0.572 1.00 0.00 N ATOM 768 CA LYS A 47 74.727 -22.599 0.711 1.00 0.00 C ATOM 769 C LYS A 47 75.771 -21.496 0.516 1.00 0.00 C ATOM 770 O LYS A 47 76.420 -21.071 1.452 1.00 0.00 O ATOM 771 CB LYS A 47 75.418 -23.885 1.166 1.00 0.00 C ATOM 772 CG LYS A 47 74.489 -25.078 0.927 1.00 0.00 C ATOM 773 CD LYS A 47 74.436 -25.943 2.188 1.00 0.00 C ATOM 774 CE LYS A 47 73.185 -26.824 2.151 1.00 0.00 C ATOM 775 NZ LYS A 47 72.285 -26.456 3.281 1.00 0.00 N ATOM 0 H LYS A 47 73.083 -22.423 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 47 74.010 -22.287 1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 47 76.351 -24.022 0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 47 75.675 -23.817 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 47 73.489 -24.728 0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 47 74.847 -25.668 0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 47 75.329 -26.564 2.253 1.00 0.00 H new ATOM 0 HD3 LYS A 47 74.422 -25.310 3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 47 72.665 -26.696 1.201 1.00 0.00 H new ATOM 0 HE3 LYS A 47 73.465 -27.875 2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 71.435 -27.054 3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 72.783 -26.599 4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 72.008 -25.457 3.193 1.00 0.00 H new ATOM 789 N ASP A 48 75.937 -21.025 -0.691 1.00 0.00 N ATOM 790 CA ASP A 48 76.936 -19.948 -0.943 1.00 0.00 C ATOM 791 C ASP A 48 78.240 -20.270 -0.209 1.00 0.00 C ATOM 792 O ASP A 48 79.012 -19.391 0.118 1.00 0.00 O ATOM 793 CB ASP A 48 76.383 -18.614 -0.439 1.00 0.00 C ATOM 794 CG ASP A 48 76.777 -17.499 -1.408 1.00 0.00 C ATOM 795 OD1 ASP A 48 76.144 -17.392 -2.446 1.00 0.00 O ATOM 796 OD2 ASP A 48 77.704 -16.769 -1.096 1.00 0.00 O ATOM 0 H ASP A 48 75.423 -21.340 -1.514 1.00 0.00 H new ATOM 0 HA ASP A 48 77.133 -19.881 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 48 75.298 -18.668 -0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 48 76.772 -18.400 0.556 1.00 0.00 H new ATOM 801 N HIS A 49 78.495 -21.523 0.050 1.00 0.00 N ATOM 802 CA HIS A 49 79.752 -21.896 0.760 1.00 0.00 C ATOM 803 C HIS A 49 79.827 -21.154 2.097 1.00 0.00 C ATOM 804 O HIS A 49 80.811 -20.512 2.406 1.00 0.00 O ATOM 805 CB HIS A 49 80.956 -21.514 -0.103 1.00 0.00 C ATOM 806 CG HIS A 49 81.590 -22.759 -0.659 1.00 0.00 C ATOM 807 ND1 HIS A 49 81.026 -23.472 -1.705 1.00 0.00 N ATOM 808 CD2 HIS A 49 82.739 -23.432 -0.325 1.00 0.00 C ATOM 809 CE1 HIS A 49 81.829 -24.521 -1.962 1.00 0.00 C ATOM 810 NE2 HIS A 49 82.888 -24.544 -1.148 1.00 0.00 N ATOM 0 H HIS A 49 77.888 -22.304 -0.199 1.00 0.00 H new ATOM 0 HA HIS A 49 79.760 -22.971 0.942 1.00 0.00 H new ATOM 0 HB2 HIS A 49 80.641 -20.859 -0.916 1.00 0.00 H new ATOM 0 HB3 HIS A 49 81.681 -20.958 0.491 1.00 0.00 H new ATOM 0 HD2 HIS A 49 83.424 -23.142 0.458 1.00 0.00 H new ATOM 0 HE1 HIS A 49 81.640 -25.254 -2.732 1.00 0.00 H new ATOM 0 HE2 HIS A 49 83.643 -25.229 -1.133 1.00 0.00 H new ATOM 818 N HIS A 50 78.796 -21.239 2.894 1.00 0.00 N ATOM 819 CA HIS A 50 78.812 -20.541 4.212 1.00 0.00 C ATOM 820 C HIS A 50 79.251 -19.098 4.019 1.00 0.00 C ATOM 821 O HIS A 50 79.767 -18.459 4.914 1.00 0.00 O ATOM 822 CB HIS A 50 79.791 -21.241 5.140 1.00 0.00 C ATOM 823 CG HIS A 50 79.037 -21.962 6.222 1.00 0.00 C ATOM 824 ND1 HIS A 50 78.866 -21.425 7.487 1.00 0.00 N ATOM 825 CD2 HIS A 50 78.404 -23.180 6.242 1.00 0.00 C ATOM 826 CE1 HIS A 50 78.155 -22.310 8.211 1.00 0.00 C ATOM 827 NE2 HIS A 50 77.848 -23.397 7.500 1.00 0.00 N ATOM 0 H HIS A 50 77.944 -21.761 2.690 1.00 0.00 H new ATOM 0 HA HIS A 50 77.812 -20.563 4.646 1.00 0.00 H new ATOM 0 HB2 HIS A 50 80.400 -21.947 4.576 1.00 0.00 H new ATOM 0 HB3 HIS A 50 80.472 -20.513 5.581 1.00 0.00 H new ATOM 0 HD2 HIS A 50 78.346 -23.865 5.409 1.00 0.00 H new ATOM 0 HE1 HIS A 50 77.868 -22.159 9.241 1.00 0.00 H new ATOM 0 HE2 HIS A 50 77.319 -24.212 7.811 1.00 0.00 H new ATOM 835 N SER A 51 79.048 -18.592 2.851 1.00 0.00 N ATOM 836 CA SER A 51 79.442 -17.186 2.555 1.00 0.00 C ATOM 837 C SER A 51 78.880 -16.258 3.634 1.00 0.00 C ATOM 838 O SER A 51 78.012 -16.631 4.398 1.00 0.00 O ATOM 839 CB SER A 51 78.887 -16.775 1.192 1.00 0.00 C ATOM 840 OG SER A 51 79.131 -15.391 0.983 1.00 0.00 O ATOM 0 H SER A 51 78.621 -19.092 2.071 1.00 0.00 H new ATOM 0 HA SER A 51 80.529 -17.111 2.542 1.00 0.00 H new ATOM 0 HB2 SER A 51 79.357 -17.362 0.403 1.00 0.00 H new ATOM 0 HB3 SER A 51 77.817 -16.978 1.146 1.00 0.00 H new ATOM 0 HG SER A 51 78.513 -15.049 0.303 1.00 0.00 H new ATOM 846 N HIS A 52 79.367 -15.049 3.700 1.00 0.00 N ATOM 847 CA HIS A 52 78.862 -14.094 4.726 1.00 0.00 C ATOM 848 C HIS A 52 79.622 -12.771 4.607 1.00 0.00 C ATOM 849 O HIS A 52 79.856 -12.089 5.584 1.00 0.00 O ATOM 850 CB HIS A 52 79.080 -14.682 6.123 1.00 0.00 C ATOM 851 CG HIS A 52 78.345 -13.850 7.137 1.00 0.00 C ATOM 852 ND1 HIS A 52 76.990 -14.008 7.382 1.00 0.00 N ATOM 853 CD2 HIS A 52 78.763 -12.850 7.979 1.00 0.00 C ATOM 854 CE1 HIS A 52 76.645 -13.123 8.336 1.00 0.00 C ATOM 855 NE2 HIS A 52 77.688 -12.392 8.735 1.00 0.00 N ATOM 0 H HIS A 52 80.094 -14.681 3.086 1.00 0.00 H new ATOM 0 HA HIS A 52 77.798 -13.919 4.567 1.00 0.00 H new ATOM 0 HB2 HIS A 52 78.725 -15.712 6.155 1.00 0.00 H new ATOM 0 HB3 HIS A 52 80.144 -14.705 6.358 1.00 0.00 H new ATOM 0 HD2 HIS A 52 79.774 -12.475 8.045 1.00 0.00 H new ATOM 0 HE1 HIS A 52 75.645 -13.017 8.731 1.00 0.00 H new ATOM 0 HE2 HIS A 52 77.696 -11.656 9.442 1.00 0.00 H new ATOM 863 N ARG A 53 80.011 -12.404 3.416 1.00 0.00 N ATOM 864 CA ARG A 53 80.757 -11.132 3.232 1.00 0.00 C ATOM 865 C ARG A 53 79.797 -9.946 3.348 1.00 0.00 C ATOM 866 O ARG A 53 79.779 -9.244 4.340 1.00 0.00 O ATOM 867 CB ARG A 53 81.415 -11.122 1.852 1.00 0.00 C ATOM 868 CG ARG A 53 82.858 -10.627 1.975 1.00 0.00 C ATOM 869 CD ARG A 53 83.588 -10.844 0.649 1.00 0.00 C ATOM 870 NE ARG A 53 85.047 -10.610 0.841 1.00 0.00 N ATOM 871 CZ ARG A 53 85.862 -11.623 0.947 1.00 0.00 C ATOM 872 NH1 ARG A 53 85.940 -12.500 -0.016 1.00 0.00 N ATOM 873 NH2 ARG A 53 86.599 -11.760 2.015 1.00 0.00 N ATOM 0 H ARG A 53 79.842 -12.934 2.561 1.00 0.00 H new ATOM 0 HA ARG A 53 81.523 -11.050 4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 53 81.399 -12.124 1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 53 80.855 -10.477 1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 53 82.869 -9.570 2.239 1.00 0.00 H new ATOM 0 HG3 ARG A 53 83.370 -11.161 2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 53 83.416 -11.858 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 53 83.197 -10.166 -0.109 1.00 0.00 H new ATOM 0 HE ARG A 53 85.409 -9.657 0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 53 85.364 -12.393 -0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 53 86.577 -13.292 0.066 1.00 0.00 H new ATOM 0 HH21 ARG A 53 86.538 -11.075 2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 53 87.236 -12.552 2.097 1.00 0.00 H new ATOM 887 N GLY A 54 79.001 -9.715 2.340 1.00 0.00 N ATOM 888 CA GLY A 54 78.046 -8.571 2.390 1.00 0.00 C ATOM 889 C GLY A 54 76.807 -8.964 3.198 1.00 0.00 C ATOM 890 O GLY A 54 75.881 -8.191 3.345 1.00 0.00 O ATOM 0 H GLY A 54 78.970 -10.269 1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 54 78.527 -7.704 2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 54 77.756 -8.283 1.379 1.00 0.00 H new ATOM 894 N LEU A 55 76.780 -10.158 3.723 1.00 0.00 N ATOM 895 CA LEU A 55 75.599 -10.594 4.520 1.00 0.00 C ATOM 896 C LEU A 55 75.366 -9.611 5.668 1.00 0.00 C ATOM 897 O LEU A 55 75.855 -8.500 5.657 1.00 0.00 O ATOM 898 CB LEU A 55 75.851 -11.992 5.086 1.00 0.00 C ATOM 899 CG LEU A 55 74.802 -12.961 4.538 1.00 0.00 C ATOM 900 CD1 LEU A 55 75.470 -13.953 3.584 1.00 0.00 C ATOM 901 CD2 LEU A 55 74.158 -13.723 5.698 1.00 0.00 C ATOM 0 H LEU A 55 77.524 -10.850 3.635 1.00 0.00 H new ATOM 0 HA LEU A 55 74.718 -10.617 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 55 76.851 -12.331 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.806 -11.969 6.175 1.00 0.00 H new ATOM 0 HG LEU A 55 74.037 -12.401 4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 55 74.722 -14.643 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 55 75.929 -13.410 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 55 76.236 -14.513 4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 55 73.410 -14.414 5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 55 74.924 -14.282 6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 55 73.681 -13.016 6.377 1.00 0.00 H new ATOM 913 N LEU A 56 74.621 -10.013 6.661 1.00 0.00 N ATOM 914 CA LEU A 56 74.356 -9.108 7.810 1.00 0.00 C ATOM 915 C LEU A 56 75.660 -8.448 8.256 1.00 0.00 C ATOM 916 O LEU A 56 75.670 -7.348 8.770 1.00 0.00 O ATOM 917 CB LEU A 56 73.772 -9.919 8.965 1.00 0.00 C ATOM 918 CG LEU A 56 72.246 -9.935 8.862 1.00 0.00 C ATOM 919 CD1 LEU A 56 71.707 -11.237 9.453 1.00 0.00 C ATOM 920 CD2 LEU A 56 71.672 -8.747 9.637 1.00 0.00 C ATOM 0 H LEU A 56 74.184 -10.932 6.724 1.00 0.00 H new ATOM 0 HA LEU A 56 73.648 -8.336 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 56 74.159 -10.938 8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 56 74.078 -9.486 9.917 1.00 0.00 H new ATOM 0 HG LEU A 56 71.952 -9.864 7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 56 70.620 -11.247 9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 56 72.116 -12.084 8.902 1.00 0.00 H new ATOM 0 HD13 LEU A 56 72.000 -11.310 10.500 1.00 0.00 H new ATOM 0 HD21 LEU A 56 70.584 -8.757 9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 56 71.967 -8.819 10.684 1.00 0.00 H new ATOM 0 HD23 LEU A 56 72.055 -7.818 9.215 1.00 0.00 H new ATOM 932 N MET A 57 76.759 -9.116 8.061 1.00 0.00 N ATOM 933 CA MET A 57 78.069 -8.536 8.470 1.00 0.00 C ATOM 934 C MET A 57 78.125 -7.064 8.060 1.00 0.00 C ATOM 935 O MET A 57 78.418 -6.197 8.860 1.00 0.00 O ATOM 936 CB MET A 57 79.202 -9.302 7.782 1.00 0.00 C ATOM 937 CG MET A 57 80.189 -9.809 8.835 1.00 0.00 C ATOM 938 SD MET A 57 81.338 -8.480 9.274 1.00 0.00 S ATOM 939 CE MET A 57 82.476 -9.480 10.262 1.00 0.00 C ATOM 0 H MET A 57 76.809 -10.041 7.635 1.00 0.00 H new ATOM 0 HA MET A 57 78.181 -8.616 9.551 1.00 0.00 H new ATOM 0 HB2 MET A 57 78.797 -10.140 7.215 1.00 0.00 H new ATOM 0 HB3 MET A 57 79.714 -8.654 7.071 1.00 0.00 H new ATOM 0 HG2 MET A 57 79.651 -10.146 9.721 1.00 0.00 H new ATOM 0 HG3 MET A 57 80.739 -10.668 8.450 1.00 0.00 H new ATOM 0 HE1 MET A 57 83.280 -8.849 10.641 1.00 0.00 H new ATOM 0 HE2 MET A 57 81.938 -9.923 11.100 1.00 0.00 H new ATOM 0 HE3 MET A 57 82.897 -10.271 9.642 1.00 0.00 H new ATOM 949 N MET A 58 77.848 -6.774 6.819 1.00 0.00 N ATOM 950 CA MET A 58 77.885 -5.359 6.359 1.00 0.00 C ATOM 951 C MET A 58 76.911 -4.526 7.192 1.00 0.00 C ATOM 952 O MET A 58 77.242 -3.457 7.667 1.00 0.00 O ATOM 953 CB MET A 58 77.482 -5.291 4.884 1.00 0.00 C ATOM 954 CG MET A 58 78.720 -5.016 4.029 1.00 0.00 C ATOM 955 SD MET A 58 78.224 -4.180 2.502 1.00 0.00 S ATOM 956 CE MET A 58 76.981 -5.385 1.976 1.00 0.00 C ATOM 0 H MET A 58 77.598 -7.457 6.104 1.00 0.00 H new ATOM 0 HA MET A 58 78.894 -4.965 6.479 1.00 0.00 H new ATOM 0 HB2 MET A 58 77.018 -6.229 4.579 1.00 0.00 H new ATOM 0 HB3 MET A 58 76.742 -4.505 4.734 1.00 0.00 H new ATOM 0 HG2 MET A 58 79.427 -4.397 4.582 1.00 0.00 H new ATOM 0 HG3 MET A 58 79.229 -5.951 3.796 1.00 0.00 H new ATOM 0 HE1 MET A 58 76.150 -4.866 1.498 1.00 0.00 H new ATOM 0 HE2 MET A 58 77.428 -6.083 1.268 1.00 0.00 H new ATOM 0 HE3 MET A 58 76.615 -5.933 2.844 1.00 0.00 H new ATOM 966 N VAL A 59 75.711 -5.004 7.376 1.00 0.00 N ATOM 967 CA VAL A 59 74.720 -4.237 8.182 1.00 0.00 C ATOM 968 C VAL A 59 75.360 -3.815 9.505 1.00 0.00 C ATOM 969 O VAL A 59 74.996 -2.815 10.092 1.00 0.00 O ATOM 970 CB VAL A 59 73.499 -5.116 8.465 1.00 0.00 C ATOM 971 CG1 VAL A 59 72.527 -4.364 9.375 1.00 0.00 C ATOM 972 CG2 VAL A 59 72.800 -5.455 7.147 1.00 0.00 C ATOM 0 H VAL A 59 75.374 -5.892 7.003 1.00 0.00 H new ATOM 0 HA VAL A 59 74.408 -3.352 7.628 1.00 0.00 H new ATOM 0 HB VAL A 59 73.820 -6.035 8.956 1.00 0.00 H new ATOM 0 HG11 VAL A 59 71.658 -4.991 9.576 1.00 0.00 H new ATOM 0 HG12 VAL A 59 73.023 -4.120 10.314 1.00 0.00 H new ATOM 0 HG13 VAL A 59 72.206 -3.445 8.884 1.00 0.00 H new ATOM 0 HG21 VAL A 59 71.930 -6.081 7.347 1.00 0.00 H new ATOM 0 HG22 VAL A 59 72.480 -4.535 6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 59 73.491 -5.991 6.496 1.00 0.00 H new ATOM 982 N GLY A 60 76.311 -4.571 9.982 1.00 0.00 N ATOM 983 CA GLY A 60 76.974 -4.215 11.268 1.00 0.00 C ATOM 984 C GLY A 60 78.157 -3.286 10.995 1.00 0.00 C ATOM 985 O GLY A 60 79.180 -3.360 11.648 1.00 0.00 O ATOM 0 H GLY A 60 76.658 -5.420 9.536 1.00 0.00 H new ATOM 0 HA2 GLY A 60 76.262 -3.727 11.933 1.00 0.00 H new ATOM 0 HA3 GLY A 60 77.317 -5.117 11.774 1.00 0.00 H new ATOM 989 N GLN A 61 78.028 -2.409 10.037 1.00 0.00 N ATOM 990 CA GLN A 61 79.143 -1.477 9.726 1.00 0.00 C ATOM 991 C GLN A 61 78.591 -0.227 9.057 1.00 0.00 C ATOM 992 O GLN A 61 79.283 0.487 8.359 1.00 0.00 O ATOM 993 CB GLN A 61 80.127 -2.159 8.788 1.00 0.00 C ATOM 994 CG GLN A 61 81.333 -2.660 9.585 1.00 0.00 C ATOM 995 CD GLN A 61 81.515 -4.161 9.349 1.00 0.00 C ATOM 996 OE1 GLN A 61 81.771 -4.905 10.273 1.00 0.00 O ATOM 997 NE2 GLN A 61 81.391 -4.638 8.141 1.00 0.00 N ATOM 0 H GLN A 61 77.196 -2.299 9.457 1.00 0.00 H new ATOM 0 HA GLN A 61 79.651 -1.200 10.650 1.00 0.00 H new ATOM 0 HB2 GLN A 61 79.642 -2.993 8.280 1.00 0.00 H new ATOM 0 HB3 GLN A 61 80.453 -1.461 8.016 1.00 0.00 H new ATOM 0 HG2 GLN A 61 82.231 -2.122 9.282 1.00 0.00 H new ATOM 0 HG3 GLN A 61 81.187 -2.463 10.647 1.00 0.00 H new ATOM 0 HE21 GLN A 61 81.176 -4.012 7.365 1.00 0.00 H new ATOM 0 HE22 GLN A 61 81.509 -5.637 7.973 1.00 0.00 H new ATOM 1006 N ARG A 62 77.346 0.031 9.274 1.00 0.00 N ATOM 1007 CA ARG A 62 76.703 1.231 8.668 1.00 0.00 C ATOM 1008 C ARG A 62 75.951 2.011 9.751 1.00 0.00 C ATOM 1009 O ARG A 62 75.399 3.064 9.499 1.00 0.00 O ATOM 1010 CB ARG A 62 75.721 0.785 7.580 1.00 0.00 C ATOM 1011 CG ARG A 62 74.992 2.004 7.008 1.00 0.00 C ATOM 1012 CD ARG A 62 74.119 1.569 5.828 1.00 0.00 C ATOM 1013 NE ARG A 62 73.545 0.222 6.104 1.00 0.00 N ATOM 1014 CZ ARG A 62 72.810 0.031 7.166 1.00 0.00 C ATOM 1015 NH1 ARG A 62 71.814 0.834 7.422 1.00 0.00 N ATOM 1016 NH2 ARG A 62 73.072 -0.963 7.970 1.00 0.00 N ATOM 0 H ARG A 62 76.730 -0.541 9.852 1.00 0.00 H new ATOM 0 HA ARG A 62 77.467 1.872 8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 62 76.256 0.264 6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 62 75.000 0.080 7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 62 74.376 2.467 7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 62 75.714 2.754 6.683 1.00 0.00 H new ATOM 0 HD2 ARG A 62 73.318 2.291 5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 62 74.712 1.543 4.914 1.00 0.00 H new ATOM 0 HE ARG A 62 73.726 -0.551 5.463 1.00 0.00 H new ATOM 0 HH11 ARG A 62 71.610 1.610 6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 62 71.239 0.685 8.251 1.00 0.00 H new ATOM 0 HH21 ARG A 62 73.851 -1.590 7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 62 72.498 -1.113 8.800 1.00 0.00 H new ATOM 1030 N ARG A 63 75.923 1.504 10.955 1.00 0.00 N ATOM 1031 CA ARG A 63 75.207 2.215 12.049 1.00 0.00 C ATOM 1032 C ARG A 63 75.925 3.528 12.365 1.00 0.00 C ATOM 1033 O ARG A 63 75.437 4.349 13.115 1.00 0.00 O ATOM 1034 CB ARG A 63 75.182 1.334 13.299 1.00 0.00 C ATOM 1035 CG ARG A 63 76.585 1.268 13.906 1.00 0.00 C ATOM 1036 CD ARG A 63 76.546 0.448 15.197 1.00 0.00 C ATOM 1037 NE ARG A 63 76.353 1.360 16.359 1.00 0.00 N ATOM 1038 CZ ARG A 63 76.127 0.866 17.546 1.00 0.00 C ATOM 1039 NH1 ARG A 63 74.990 0.280 17.803 1.00 0.00 N ATOM 1040 NH2 ARG A 63 77.039 0.959 18.475 1.00 0.00 N ATOM 0 H ARG A 63 76.367 0.626 11.226 1.00 0.00 H new ATOM 0 HA ARG A 63 74.186 2.428 11.733 1.00 0.00 H new ATOM 0 HB2 ARG A 63 74.478 1.737 14.027 1.00 0.00 H new ATOM 0 HB3 ARG A 63 74.837 0.332 13.044 1.00 0.00 H new ATOM 0 HG2 ARG A 63 77.278 0.816 13.197 1.00 0.00 H new ATOM 0 HG3 ARG A 63 76.951 2.274 14.113 1.00 0.00 H new ATOM 0 HD2 ARG A 63 75.736 -0.280 15.154 1.00 0.00 H new ATOM 0 HD3 ARG A 63 77.473 -0.114 15.312 1.00 0.00 H new ATOM 0 HE ARG A 63 76.397 2.370 16.227 1.00 0.00 H new ATOM 0 HH11 ARG A 63 74.278 0.208 17.076 1.00 0.00 H new ATOM 0 HH12 ARG A 63 74.813 -0.106 18.730 1.00 0.00 H new ATOM 0 HH21 ARG A 63 77.928 1.417 18.273 1.00 0.00 H new ATOM 0 HH22 ARG A 63 76.863 0.573 19.403 1.00 0.00 H new ATOM 1054 N ARG A 64 77.083 3.735 11.797 1.00 0.00 N ATOM 1055 CA ARG A 64 77.827 4.991 12.062 1.00 0.00 C ATOM 1056 C ARG A 64 78.724 5.315 10.866 1.00 0.00 C ATOM 1057 O ARG A 64 78.831 6.451 10.447 1.00 0.00 O ATOM 1058 CB ARG A 64 78.687 4.825 13.319 1.00 0.00 C ATOM 1059 CG ARG A 64 79.451 3.502 13.245 1.00 0.00 C ATOM 1060 CD ARG A 64 79.646 2.944 14.657 1.00 0.00 C ATOM 1061 NE ARG A 64 81.055 3.170 15.090 1.00 0.00 N ATOM 1062 CZ ARG A 64 81.471 2.687 16.230 1.00 0.00 C ATOM 1063 NH1 ARG A 64 81.853 1.442 16.310 1.00 0.00 N ATOM 1064 NH2 ARG A 64 81.506 3.450 17.288 1.00 0.00 N ATOM 0 H ARG A 64 77.543 3.084 11.160 1.00 0.00 H new ATOM 0 HA ARG A 64 77.119 5.805 12.215 1.00 0.00 H new ATOM 0 HB2 ARG A 64 79.386 5.656 13.406 1.00 0.00 H new ATOM 0 HB3 ARG A 64 78.057 4.844 14.208 1.00 0.00 H new ATOM 0 HG2 ARG A 64 78.902 2.787 12.633 1.00 0.00 H new ATOM 0 HG3 ARG A 64 80.418 3.655 12.766 1.00 0.00 H new ATOM 0 HD2 ARG A 64 78.959 3.430 15.350 1.00 0.00 H new ATOM 0 HD3 ARG A 64 79.415 1.879 14.674 1.00 0.00 H new ATOM 0 HE ARG A 64 81.693 3.701 14.497 1.00 0.00 H new ATOM 0 HH11 ARG A 64 81.827 0.846 15.482 1.00 0.00 H new ATOM 0 HH12 ARG A 64 82.178 1.064 17.200 1.00 0.00 H new ATOM 0 HH21 ARG A 64 81.208 4.424 17.225 1.00 0.00 H new ATOM 0 HH22 ARG A 64 81.831 3.073 18.178 1.00 0.00 H new ATOM 1078 N LEU A 65 79.370 4.326 10.312 1.00 0.00 N ATOM 1079 CA LEU A 65 80.257 4.575 9.147 1.00 0.00 C ATOM 1080 C LEU A 65 79.447 4.501 7.856 1.00 0.00 C ATOM 1081 O LEU A 65 79.893 3.944 6.873 1.00 0.00 O ATOM 1082 CB LEU A 65 81.362 3.521 9.099 1.00 0.00 C ATOM 1083 CG LEU A 65 81.711 3.072 10.518 1.00 0.00 C ATOM 1084 CD1 LEU A 65 80.964 1.777 10.841 1.00 0.00 C ATOM 1085 CD2 LEU A 65 83.219 2.828 10.617 1.00 0.00 C ATOM 0 H LEU A 65 79.320 3.355 10.619 1.00 0.00 H new ATOM 0 HA LEU A 65 80.700 5.566 9.249 1.00 0.00 H new ATOM 0 HB2 LEU A 65 81.036 2.666 8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 65 82.246 3.930 8.609 1.00 0.00 H new ATOM 0 HG LEU A 65 81.419 3.847 11.227 1.00 0.00 H new ATOM 0 HD11 LEU A 65 81.212 1.456 11.853 1.00 0.00 H new ATOM 0 HD12 LEU A 65 79.890 1.949 10.768 1.00 0.00 H new ATOM 0 HD13 LEU A 65 81.256 1.002 10.133 1.00 0.00 H new ATOM 0 HD21 LEU A 65 83.470 2.508 11.628 1.00 0.00 H new ATOM 0 HD22 LEU A 65 83.509 2.053 9.908 1.00 0.00 H new ATOM 0 HD23 LEU A 65 83.753 3.750 10.385 1.00 0.00 H new ATOM 1097 N LEU A 66 78.267 5.066 7.836 1.00 0.00 N ATOM 1098 CA LEU A 66 77.459 5.027 6.586 1.00 0.00 C ATOM 1099 C LEU A 66 78.381 5.382 5.423 1.00 0.00 C ATOM 1100 O LEU A 66 78.652 4.575 4.558 1.00 0.00 O ATOM 1101 CB LEU A 66 76.319 6.043 6.676 1.00 0.00 C ATOM 1102 CG LEU A 66 75.536 6.050 5.362 1.00 0.00 C ATOM 1103 CD1 LEU A 66 74.438 4.987 5.414 1.00 0.00 C ATOM 1104 CD2 LEU A 66 74.903 7.428 5.159 1.00 0.00 C ATOM 0 H LEU A 66 77.834 5.547 8.624 1.00 0.00 H new ATOM 0 HA LEU A 66 77.028 4.037 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 66 75.657 5.790 7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 66 76.719 7.037 6.879 1.00 0.00 H new ATOM 0 HG LEU A 66 76.211 5.831 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 66 73.881 4.993 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 66 74.888 4.006 5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 66 73.761 5.204 6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 66 74.344 7.437 4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 66 74.228 7.644 5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 66 75.685 8.186 5.122 1.00 0.00 H new ATOM 1116 N ARG A 67 78.899 6.576 5.425 1.00 0.00 N ATOM 1117 CA ARG A 67 79.838 6.982 4.356 1.00 0.00 C ATOM 1118 C ARG A 67 81.265 6.795 4.877 1.00 0.00 C ATOM 1119 O ARG A 67 82.216 6.782 4.122 1.00 0.00 O ATOM 1120 CB ARG A 67 79.606 8.450 3.992 1.00 0.00 C ATOM 1121 CG ARG A 67 79.808 9.323 5.231 1.00 0.00 C ATOM 1122 CD ARG A 67 78.670 10.341 5.329 1.00 0.00 C ATOM 1123 NE ARG A 67 79.207 11.711 5.092 1.00 0.00 N ATOM 1124 CZ ARG A 67 79.442 12.118 3.874 1.00 0.00 C ATOM 1125 NH1 ARG A 67 80.238 11.434 3.100 1.00 0.00 N ATOM 1126 NH2 ARG A 67 78.881 13.211 3.432 1.00 0.00 N ATOM 0 H ARG A 67 78.709 7.290 6.128 1.00 0.00 H new ATOM 0 HA ARG A 67 79.680 6.374 3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 67 80.296 8.753 3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 67 78.597 8.583 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 67 79.833 8.702 6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 67 80.767 9.838 5.174 1.00 0.00 H new ATOM 0 HD2 ARG A 67 77.897 10.110 4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 67 78.203 10.287 6.312 1.00 0.00 H new ATOM 0 HE ARG A 67 79.391 12.330 5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 67 80.677 10.581 3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 67 80.422 11.752 2.148 1.00 0.00 H new ATOM 0 HH21 ARG A 67 78.260 13.746 4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 67 79.064 13.529 2.480 1.00 0.00 H new ATOM 1140 N TYR A 68 81.411 6.652 6.175 1.00 0.00 N ATOM 1141 CA TYR A 68 82.765 6.464 6.781 1.00 0.00 C ATOM 1142 C TYR A 68 83.580 7.752 6.653 1.00 0.00 C ATOM 1143 O TYR A 68 84.731 7.814 7.038 1.00 0.00 O ATOM 1144 CB TYR A 68 83.486 5.324 6.068 1.00 0.00 C ATOM 1145 CG TYR A 68 84.833 5.092 6.710 1.00 0.00 C ATOM 1146 CD1 TYR A 68 84.911 4.651 8.036 1.00 0.00 C ATOM 1147 CD2 TYR A 68 86.004 5.318 5.977 1.00 0.00 C ATOM 1148 CE1 TYR A 68 86.160 4.434 8.630 1.00 0.00 C ATOM 1149 CE2 TYR A 68 87.253 5.101 6.571 1.00 0.00 C ATOM 1150 CZ TYR A 68 87.332 4.660 7.896 1.00 0.00 C ATOM 1151 OH TYR A 68 88.563 4.447 8.482 1.00 0.00 O ATOM 0 H TYR A 68 80.641 6.658 6.844 1.00 0.00 H new ATOM 0 HA TYR A 68 82.655 6.220 7.838 1.00 0.00 H new ATOM 0 HB2 TYR A 68 82.887 4.415 6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 68 83.612 5.565 5.012 1.00 0.00 H new ATOM 0 HD1 TYR A 68 84.007 4.478 8.601 1.00 0.00 H new ATOM 0 HD2 TYR A 68 85.944 5.659 4.954 1.00 0.00 H new ATOM 0 HE1 TYR A 68 86.220 4.093 9.653 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.157 5.274 6.005 1.00 0.00 H new ATOM 0 HH TYR A 68 89.272 4.649 7.836 1.00 0.00 H new ATOM 1161 N LEU A 69 82.989 8.781 6.120 1.00 0.00 N ATOM 1162 CA LEU A 69 83.709 10.071 5.968 1.00 0.00 C ATOM 1163 C LEU A 69 83.494 10.917 7.221 1.00 0.00 C ATOM 1164 O LEU A 69 84.292 11.771 7.552 1.00 0.00 O ATOM 1165 CB LEU A 69 83.169 10.814 4.744 1.00 0.00 C ATOM 1166 CG LEU A 69 83.994 12.079 4.507 1.00 0.00 C ATOM 1167 CD1 LEU A 69 83.750 12.589 3.086 1.00 0.00 C ATOM 1168 CD2 LEU A 69 83.576 13.156 5.510 1.00 0.00 C ATOM 0 H LEU A 69 82.027 8.783 5.780 1.00 0.00 H new ATOM 0 HA LEU A 69 84.775 9.885 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 69 83.213 10.169 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 69 82.122 11.074 4.897 1.00 0.00 H new ATOM 0 HG LEU A 69 85.052 11.851 4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 69 84.338 13.491 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 69 84.046 11.823 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 69 82.692 12.817 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 69 84.164 14.058 5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 69 82.518 13.383 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 69 83.748 12.795 6.524 1.00 0.00 H new ATOM 1180 N GLN A 70 82.423 10.683 7.926 1.00 0.00 N ATOM 1181 CA GLN A 70 82.160 11.465 9.159 1.00 0.00 C ATOM 1182 C GLN A 70 83.419 11.472 10.028 1.00 0.00 C ATOM 1183 O GLN A 70 83.638 12.363 10.823 1.00 0.00 O ATOM 1184 CB GLN A 70 81.015 10.807 9.929 1.00 0.00 C ATOM 1185 CG GLN A 70 80.935 11.403 11.333 1.00 0.00 C ATOM 1186 CD GLN A 70 81.855 10.620 12.273 1.00 0.00 C ATOM 1187 OE1 GLN A 70 82.780 11.255 12.939 1.00 0.00 O flip ATOM 1188 NE2 GLN A 70 81.730 9.418 12.401 1.00 0.00 N flip ATOM 0 H GLN A 70 81.718 9.981 7.698 1.00 0.00 H new ATOM 0 HA GLN A 70 81.890 12.489 8.900 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.073 10.962 9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.174 9.730 9.988 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.228 12.453 11.311 1.00 0.00 H new ATOM 0 HG3 GLN A 70 79.908 11.366 11.697 1.00 0.00 H new ATOM 0 HE21 GLN A 70 81.007 8.922 11.880 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.348 8.905 13.029 1.00 0.00 H new ATOM 1197 N ARG A 71 84.242 10.471 9.881 1.00 0.00 N ATOM 1198 CA ARG A 71 85.486 10.390 10.692 1.00 0.00 C ATOM 1199 C ARG A 71 86.484 11.456 10.232 1.00 0.00 C ATOM 1200 O ARG A 71 87.116 12.112 11.035 1.00 0.00 O ATOM 1201 CB ARG A 71 86.110 9.004 10.525 1.00 0.00 C ATOM 1202 CG ARG A 71 85.094 7.938 10.937 1.00 0.00 C ATOM 1203 CD ARG A 71 85.828 6.744 11.547 1.00 0.00 C ATOM 1204 NE ARG A 71 86.088 7.003 12.990 1.00 0.00 N ATOM 1205 CZ ARG A 71 86.564 6.055 13.748 1.00 0.00 C ATOM 1206 NH1 ARG A 71 87.765 5.590 13.535 1.00 0.00 N ATOM 1207 NH2 ARG A 71 85.841 5.571 14.721 1.00 0.00 N ATOM 0 H ARG A 71 84.103 9.700 9.228 1.00 0.00 H new ATOM 0 HA ARG A 71 85.241 10.561 11.740 1.00 0.00 H new ATOM 0 HB2 ARG A 71 86.414 8.852 9.489 1.00 0.00 H new ATOM 0 HB3 ARG A 71 87.009 8.921 11.136 1.00 0.00 H new ATOM 0 HG2 ARG A 71 84.389 8.352 11.658 1.00 0.00 H new ATOM 0 HG3 ARG A 71 84.514 7.619 10.071 1.00 0.00 H new ATOM 0 HD2 ARG A 71 85.231 5.839 11.431 1.00 0.00 H new ATOM 0 HD3 ARG A 71 86.768 6.575 11.022 1.00 0.00 H new ATOM 0 HE ARG A 71 85.894 7.923 13.386 1.00 0.00 H new ATOM 0 HH11 ARG A 71 88.331 5.968 12.776 1.00 0.00 H new ATOM 0 HH12 ARG A 71 88.137 4.848 14.128 1.00 0.00 H new ATOM 0 HH21 ARG A 71 84.903 5.934 14.889 1.00 0.00 H new ATOM 0 HH22 ARG A 71 86.214 4.829 15.314 1.00 0.00 H new ATOM 1221 N GLU A 72 86.634 11.635 8.947 1.00 0.00 N ATOM 1222 CA GLU A 72 87.594 12.657 8.448 1.00 0.00 C ATOM 1223 C GLU A 72 86.935 14.030 8.422 1.00 0.00 C ATOM 1224 O GLU A 72 87.447 14.977 7.858 1.00 0.00 O ATOM 1225 CB GLU A 72 88.051 12.286 7.043 1.00 0.00 C ATOM 1226 CG GLU A 72 88.965 11.064 7.112 1.00 0.00 C ATOM 1227 CD GLU A 72 90.000 11.134 5.987 1.00 0.00 C ATOM 1228 OE1 GLU A 72 89.616 11.464 4.877 1.00 0.00 O ATOM 1229 OE2 GLU A 72 91.156 10.855 6.254 1.00 0.00 O ATOM 0 H GLU A 72 86.134 11.118 8.224 1.00 0.00 H new ATOM 0 HA GLU A 72 88.454 12.689 9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 72 87.188 12.073 6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.579 13.124 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 72 89.466 11.026 8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.376 10.151 7.022 1.00 0.00 H new ATOM 1236 N ASP A 73 85.807 14.134 9.034 1.00 0.00 N ATOM 1237 CA ASP A 73 85.081 15.433 9.075 1.00 0.00 C ATOM 1238 C ASP A 73 83.688 15.212 9.676 1.00 0.00 C ATOM 1239 O ASP A 73 82.871 14.528 9.093 1.00 0.00 O ATOM 1240 CB ASP A 73 84.940 15.981 7.654 1.00 0.00 C ATOM 1241 CG ASP A 73 85.900 17.157 7.464 1.00 0.00 C ATOM 1242 OD1 ASP A 73 86.881 17.218 8.186 1.00 0.00 O ATOM 1243 OD2 ASP A 73 85.636 17.978 6.600 1.00 0.00 O ATOM 0 H ASP A 73 85.341 13.367 9.519 1.00 0.00 H new ATOM 0 HA ASP A 73 85.636 16.145 9.686 1.00 0.00 H new ATOM 0 HB2 ASP A 73 85.158 15.198 6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 73 83.914 16.303 7.477 1.00 0.00 H new ATOM 1248 N PRO A 74 83.454 15.799 10.825 1.00 0.00 N ATOM 1249 CA PRO A 74 82.160 15.679 11.516 1.00 0.00 C ATOM 1250 C PRO A 74 81.125 16.561 10.824 1.00 0.00 C ATOM 1251 O PRO A 74 79.941 16.293 10.853 1.00 0.00 O ATOM 1252 CB PRO A 74 82.457 16.168 12.936 1.00 0.00 C ATOM 1253 CG PRO A 74 83.722 17.052 12.833 1.00 0.00 C ATOM 1254 CD PRO A 74 84.441 16.638 11.535 1.00 0.00 C ATOM 0 HA PRO A 74 81.752 14.668 11.511 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.617 16.736 13.336 1.00 0.00 H new ATOM 0 HB3 PRO A 74 82.623 15.328 13.610 1.00 0.00 H new ATOM 0 HG2 PRO A 74 83.456 18.109 12.809 1.00 0.00 H new ATOM 0 HG3 PRO A 74 84.369 16.906 13.698 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.724 17.508 10.942 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.356 16.084 11.746 1.00 0.00 H new ATOM 1262 N GLU A 75 81.573 17.600 10.184 1.00 0.00 N ATOM 1263 CA GLU A 75 80.630 18.490 9.465 1.00 0.00 C ATOM 1264 C GLU A 75 80.193 17.782 8.186 1.00 0.00 C ATOM 1265 O GLU A 75 79.024 17.712 7.867 1.00 0.00 O ATOM 1266 CB GLU A 75 81.323 19.809 9.116 1.00 0.00 C ATOM 1267 CG GLU A 75 81.904 20.433 10.388 1.00 0.00 C ATOM 1268 CD GLU A 75 82.198 21.914 10.141 1.00 0.00 C ATOM 1269 OE1 GLU A 75 81.268 22.637 9.825 1.00 0.00 O ATOM 1270 OE2 GLU A 75 83.349 22.299 10.273 1.00 0.00 O ATOM 0 H GLU A 75 82.555 17.871 10.128 1.00 0.00 H new ATOM 0 HA GLU A 75 79.765 18.708 10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 75 82.116 19.634 8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 75 80.612 20.494 8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 75 81.201 20.324 11.214 1.00 0.00 H new ATOM 0 HG3 GLU A 75 82.818 19.913 10.676 1.00 0.00 H new ATOM 1277 N ARG A 76 81.128 17.235 7.460 1.00 0.00 N ATOM 1278 CA ARG A 76 80.767 16.510 6.216 1.00 0.00 C ATOM 1279 C ARG A 76 79.781 15.398 6.571 1.00 0.00 C ATOM 1280 O ARG A 76 79.091 14.870 5.721 1.00 0.00 O ATOM 1281 CB ARG A 76 82.024 15.905 5.591 1.00 0.00 C ATOM 1282 CG ARG A 76 82.772 16.983 4.804 1.00 0.00 C ATOM 1283 CD ARG A 76 84.194 16.503 4.508 1.00 0.00 C ATOM 1284 NE ARG A 76 84.317 16.172 3.060 1.00 0.00 N ATOM 1285 CZ ARG A 76 85.281 16.693 2.352 1.00 0.00 C ATOM 1286 NH1 ARG A 76 86.514 16.620 2.775 1.00 0.00 N ATOM 1287 NH2 ARG A 76 85.013 17.286 1.222 1.00 0.00 N ATOM 0 H ARG A 76 82.125 17.260 7.676 1.00 0.00 H new ATOM 0 HA ARG A 76 80.313 17.196 5.501 1.00 0.00 H new ATOM 0 HB2 ARG A 76 82.668 15.494 6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 76 81.754 15.080 4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 76 82.248 17.198 3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 76 82.801 17.911 5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 76 84.913 17.276 4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 76 84.427 15.627 5.113 1.00 0.00 H new ATOM 0 HE ARG A 76 83.648 15.538 2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 76 86.723 16.156 3.659 1.00 0.00 H new ATOM 0 HH12 ARG A 76 87.268 17.027 2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 76 84.050 17.343 0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 76 85.767 17.693 0.668 1.00 0.00 H new ATOM 1301 N TYR A 77 79.708 15.039 7.826 1.00 0.00 N ATOM 1302 CA TYR A 77 78.768 13.968 8.245 1.00 0.00 C ATOM 1303 C TYR A 77 77.363 14.553 8.430 1.00 0.00 C ATOM 1304 O TYR A 77 76.660 14.208 9.359 1.00 0.00 O ATOM 1305 CB TYR A 77 79.228 13.369 9.573 1.00 0.00 C ATOM 1306 CG TYR A 77 78.253 12.299 10.003 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.801 11.351 9.077 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.800 12.254 11.327 1.00 0.00 C ATOM 1309 CE1 TYR A 77 76.898 10.358 9.474 1.00 0.00 C ATOM 1310 CE2 TYR A 77 76.897 11.262 11.725 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.445 10.313 10.798 1.00 0.00 C ATOM 1312 OH TYR A 77 75.555 9.335 11.192 1.00 0.00 O ATOM 0 H TYR A 77 80.263 15.446 8.579 1.00 0.00 H new ATOM 0 HA TYR A 77 78.749 13.196 7.476 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.227 12.946 9.467 1.00 0.00 H new ATOM 0 HB3 TYR A 77 79.290 14.147 10.334 1.00 0.00 H new ATOM 0 HD1 TYR A 77 78.149 11.386 8.055 1.00 0.00 H new ATOM 0 HD2 TYR A 77 78.148 12.985 12.042 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.551 9.627 8.759 1.00 0.00 H new ATOM 0 HE2 TYR A 77 76.548 11.228 12.747 1.00 0.00 H new ATOM 0 HH TYR A 77 75.345 9.448 12.143 1.00 0.00 H new ATOM 1322 N ARG A 78 76.949 15.435 7.566 1.00 0.00 N ATOM 1323 CA ARG A 78 75.599 16.032 7.711 1.00 0.00 C ATOM 1324 C ARG A 78 74.977 16.252 6.329 1.00 0.00 C ATOM 1325 O ARG A 78 74.167 17.137 6.137 1.00 0.00 O ATOM 1326 CB ARG A 78 75.713 17.369 8.461 1.00 0.00 C ATOM 1327 CG ARG A 78 76.102 18.489 7.491 1.00 0.00 C ATOM 1328 CD ARG A 78 77.129 19.404 8.156 1.00 0.00 C ATOM 1329 NE ARG A 78 76.438 20.593 8.730 1.00 0.00 N ATOM 1330 CZ ARG A 78 76.437 20.787 10.021 1.00 0.00 C ATOM 1331 NH1 ARG A 78 77.437 21.405 10.589 1.00 0.00 N ATOM 1332 NH2 ARG A 78 75.438 20.362 10.743 1.00 0.00 N ATOM 0 H ARG A 78 77.489 15.767 6.767 1.00 0.00 H new ATOM 0 HA ARG A 78 74.959 15.356 8.278 1.00 0.00 H new ATOM 0 HB2 ARG A 78 74.764 17.607 8.941 1.00 0.00 H new ATOM 0 HB3 ARG A 78 76.458 17.288 9.252 1.00 0.00 H new ATOM 0 HG2 ARG A 78 76.515 18.065 6.576 1.00 0.00 H new ATOM 0 HG3 ARG A 78 75.219 19.061 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 78 77.659 18.864 8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 78 77.875 19.721 7.427 1.00 0.00 H new ATOM 0 HE ARG A 78 75.966 21.255 8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 78 78.219 21.736 10.024 1.00 0.00 H new ATOM 0 HH12 ARG A 78 77.436 21.557 11.598 1.00 0.00 H new ATOM 0 HH21 ARG A 78 74.658 19.878 10.299 1.00 0.00 H new ATOM 0 HH22 ARG A 78 75.437 20.513 11.752 1.00 0.00 H new ATOM 1346 N ALA A 79 75.345 15.454 5.364 1.00 0.00 N ATOM 1347 CA ALA A 79 74.769 15.623 4.009 1.00 0.00 C ATOM 1348 C ALA A 79 74.264 14.285 3.493 1.00 0.00 C ATOM 1349 O ALA A 79 73.089 14.105 3.244 1.00 0.00 O ATOM 1350 CB ALA A 79 75.833 16.179 3.062 1.00 0.00 C ATOM 0 H ALA A 79 76.019 14.694 5.460 1.00 0.00 H new ATOM 0 HA ALA A 79 73.934 16.322 4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 79 75.406 16.302 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.179 17.145 3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.674 15.487 3.013 1.00 0.00 H new ATOM 1356 N LEU A 80 75.137 13.340 3.348 1.00 0.00 N ATOM 1357 CA LEU A 80 74.700 12.004 2.868 1.00 0.00 C ATOM 1358 C LEU A 80 73.904 11.319 3.978 1.00 0.00 C ATOM 1359 O LEU A 80 73.380 10.237 3.801 1.00 0.00 O ATOM 1360 CB LEU A 80 75.924 11.158 2.510 1.00 0.00 C ATOM 1361 CG LEU A 80 76.359 11.467 1.076 1.00 0.00 C ATOM 1362 CD1 LEU A 80 77.649 10.710 0.758 1.00 0.00 C ATOM 1363 CD2 LEU A 80 75.259 11.028 0.106 1.00 0.00 C ATOM 0 H LEU A 80 76.135 13.431 3.540 1.00 0.00 H new ATOM 0 HA LEU A 80 74.077 12.115 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.740 11.369 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.688 10.098 2.609 1.00 0.00 H new ATOM 0 HG LEU A 80 76.532 12.538 0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 80 77.958 10.931 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 80 78.433 11.020 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 80 77.477 9.639 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 80 75.567 11.247 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 80 75.087 9.957 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 80 74.339 11.567 0.331 1.00 0.00 H new ATOM 1375 N ILE A 81 73.790 11.947 5.119 1.00 0.00 N ATOM 1376 CA ILE A 81 73.011 11.334 6.218 1.00 0.00 C ATOM 1377 C ILE A 81 71.530 11.507 5.896 1.00 0.00 C ATOM 1378 O ILE A 81 70.717 10.637 6.142 1.00 0.00 O ATOM 1379 CB ILE A 81 73.385 11.983 7.573 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.294 12.947 8.056 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.703 12.736 7.456 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.194 12.150 8.760 1.00 0.00 C ATOM 0 H ILE A 81 74.204 12.855 5.331 1.00 0.00 H new ATOM 0 HA ILE A 81 73.239 10.272 6.306 1.00 0.00 H new ATOM 0 HB ILE A 81 73.485 11.178 8.301 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.719 13.684 8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.878 13.497 7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.951 13.186 8.417 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.493 12.044 7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.610 13.518 6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.416 12.831 9.105 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.764 11.430 8.064 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.618 11.620 9.613 1.00 0.00 H new ATOM 1394 N GLU A 82 71.180 12.627 5.336 1.00 0.00 N ATOM 1395 CA GLU A 82 69.761 12.870 4.983 1.00 0.00 C ATOM 1396 C GLU A 82 69.480 12.330 3.578 1.00 0.00 C ATOM 1397 O GLU A 82 68.342 12.190 3.177 1.00 0.00 O ATOM 1398 CB GLU A 82 69.475 14.372 5.018 1.00 0.00 C ATOM 1399 CG GLU A 82 67.968 14.602 5.154 1.00 0.00 C ATOM 1400 CD GLU A 82 67.550 15.784 4.279 1.00 0.00 C ATOM 1401 OE1 GLU A 82 67.806 16.909 4.675 1.00 0.00 O ATOM 1402 OE2 GLU A 82 66.981 15.545 3.227 1.00 0.00 O ATOM 0 H GLU A 82 71.820 13.387 5.107 1.00 0.00 H new ATOM 0 HA GLU A 82 69.119 12.361 5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 82 70.001 14.834 5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 82 69.845 14.845 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 82 67.424 13.705 4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 82 67.712 14.799 6.195 1.00 0.00 H new ATOM 1409 N LYS A 83 70.503 12.035 2.818 1.00 0.00 N ATOM 1410 CA LYS A 83 70.276 11.520 1.444 1.00 0.00 C ATOM 1411 C LYS A 83 70.471 10.001 1.406 1.00 0.00 C ATOM 1412 O LYS A 83 70.687 9.427 0.358 1.00 0.00 O ATOM 1413 CB LYS A 83 71.266 12.183 0.483 1.00 0.00 C ATOM 1414 CG LYS A 83 70.629 13.434 -0.126 1.00 0.00 C ATOM 1415 CD LYS A 83 71.525 13.975 -1.242 1.00 0.00 C ATOM 1416 CE LYS A 83 71.393 13.087 -2.480 1.00 0.00 C ATOM 1417 NZ LYS A 83 72.275 13.609 -3.561 1.00 0.00 N ATOM 0 H LYS A 83 71.481 12.130 3.092 1.00 0.00 H new ATOM 0 HA LYS A 83 69.255 11.753 1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 83 72.180 12.449 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 83 71.547 11.485 -0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 83 69.642 13.196 -0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 83 70.489 14.194 0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 83 71.243 14.999 -1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 83 72.563 14.001 -0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 83 71.667 12.061 -2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 83 70.357 13.068 -2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 72.186 13.006 -4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 71.993 14.581 -3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 73.263 13.605 -3.235 1.00 0.00 H new ATOM 1431 N LEU A 84 70.402 9.341 2.533 1.00 0.00 N ATOM 1432 CA LEU A 84 70.592 7.868 2.533 1.00 0.00 C ATOM 1433 C LEU A 84 69.696 7.204 3.586 1.00 0.00 C ATOM 1434 O LEU A 84 68.674 6.627 3.271 1.00 0.00 O ATOM 1435 CB LEU A 84 72.060 7.552 2.833 1.00 0.00 C ATOM 1436 CG LEU A 84 72.947 8.359 1.886 1.00 0.00 C ATOM 1437 CD1 LEU A 84 74.417 8.165 2.266 1.00 0.00 C ATOM 1438 CD2 LEU A 84 72.727 7.877 0.451 1.00 0.00 C ATOM 0 H LEU A 84 70.223 9.759 3.446 1.00 0.00 H new ATOM 0 HA LEU A 84 70.318 7.477 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 84 72.294 7.798 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 84 72.249 6.486 2.708 1.00 0.00 H new ATOM 0 HG LEU A 84 72.690 9.415 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 84 75.047 8.742 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 84 74.576 8.506 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 84 74.676 7.109 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 84 73.359 8.451 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 84 72.984 6.820 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 84 71.681 8.016 0.177 1.00 0.00 H new ATOM 1450 N GLY A 85 70.081 7.267 4.828 1.00 0.00 N ATOM 1451 CA GLY A 85 69.272 6.629 5.908 1.00 0.00 C ATOM 1452 C GLY A 85 70.209 6.266 7.059 1.00 0.00 C ATOM 1453 O GLY A 85 70.367 5.115 7.416 1.00 0.00 O ATOM 0 H GLY A 85 70.928 7.737 5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 85 68.494 7.310 6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 85 68.771 5.738 5.531 1.00 0.00 H new ATOM 1457 N ILE A 86 70.856 7.248 7.614 1.00 0.00 N ATOM 1458 CA ILE A 86 71.808 7.037 8.699 1.00 0.00 C ATOM 1459 C ILE A 86 71.059 7.091 10.044 1.00 0.00 C ATOM 1460 O ILE A 86 70.232 6.245 10.325 1.00 0.00 O ATOM 1461 CB ILE A 86 72.795 8.183 8.528 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.925 8.153 9.542 1.00 0.00 C ATOM 1463 CG2 ILE A 86 72.032 9.491 8.664 1.00 0.00 C ATOM 1464 CD1 ILE A 86 74.169 6.727 10.053 1.00 0.00 C ATOM 0 H ILE A 86 70.749 8.224 7.337 1.00 0.00 H new ATOM 0 HA ILE A 86 72.315 6.072 8.681 1.00 0.00 H new ATOM 0 HB ILE A 86 73.254 8.084 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.837 8.541 9.087 1.00 0.00 H new ATOM 0 HG13 ILE A 86 73.684 8.807 10.380 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.720 10.328 8.545 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.260 9.544 7.896 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.568 9.541 9.649 1.00 0.00 H new ATOM 0 HD11 ILE A 86 74.983 6.735 10.778 1.00 0.00 H new ATOM 0 HD12 ILE A 86 73.263 6.351 10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.434 6.081 9.216 1.00 0.00 H new ATOM 1476 N ARG A 87 71.323 8.063 10.874 1.00 0.00 N ATOM 1477 CA ARG A 87 70.631 8.158 12.160 1.00 0.00 C ATOM 1478 C ARG A 87 69.998 9.543 12.271 1.00 0.00 C ATOM 1479 O ARG A 87 69.283 9.985 11.393 1.00 0.00 O ATOM 1480 CB ARG A 87 71.657 7.928 13.266 1.00 0.00 C ATOM 1481 CG ARG A 87 72.210 6.504 13.165 1.00 0.00 C ATOM 1482 CD ARG A 87 71.523 5.615 14.203 1.00 0.00 C ATOM 1483 NE ARG A 87 71.539 6.295 15.528 1.00 0.00 N ATOM 1484 CZ ARG A 87 72.671 6.678 16.052 1.00 0.00 C ATOM 1485 NH1 ARG A 87 73.787 6.116 15.676 1.00 0.00 N ATOM 1486 NH2 ARG A 87 72.687 7.624 16.950 1.00 0.00 N ATOM 0 H ARG A 87 72.004 8.802 10.698 1.00 0.00 H new ATOM 0 HA ARG A 87 69.842 7.411 12.248 1.00 0.00 H new ATOM 0 HB2 ARG A 87 72.468 8.651 13.180 1.00 0.00 H new ATOM 0 HB3 ARG A 87 71.196 8.082 14.242 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.043 6.108 12.163 1.00 0.00 H new ATOM 0 HG3 ARG A 87 73.287 6.508 13.330 1.00 0.00 H new ATOM 0 HD2 ARG A 87 70.496 5.410 13.900 1.00 0.00 H new ATOM 0 HD3 ARG A 87 72.033 4.654 14.269 1.00 0.00 H new ATOM 0 HE ARG A 87 70.665 6.461 16.026 1.00 0.00 H new ATOM 0 HH11 ARG A 87 73.774 5.377 14.973 1.00 0.00 H new ATOM 0 HH12 ARG A 87 74.672 6.415 16.085 1.00 0.00 H new ATOM 0 HH21 ARG A 87 71.815 8.064 17.243 1.00 0.00 H new ATOM 0 HH22 ARG A 87 73.572 7.923 17.360 1.00 0.00 H new ATOM 1500 N GLY A 88 70.255 10.223 13.333 1.00 0.00 N ATOM 1501 CA GLY A 88 69.676 11.583 13.518 1.00 0.00 C ATOM 1502 C GLY A 88 70.647 12.447 14.326 1.00 0.00 C ATOM 1503 O GLY A 88 70.686 12.287 15.534 1.00 0.00 O ATOM 1504 OXT GLY A 88 71.335 13.253 13.721 1.00 0.00 O ATOM 0 H GLY A 88 70.848 9.900 14.097 1.00 0.00 H new ATOM 0 HA2 GLY A 88 69.484 12.043 12.549 1.00 0.00 H new ATOM 0 HA3 GLY A 88 68.718 11.515 14.034 1.00 0.00 H new