USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 392 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 34 GLN :FLIP amide:sc= -1.58 F(o=-2.8!,f=-1.5) USER MOD Set 1.2: A 38 TYR OH : rot -37:sc= 0.0447 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0397 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -74:sc= 0.881 USER MOD Single : A 15 SER OG : rot -127:sc= -0.0346 USER MOD Single : A 16 GLN :FLIP amide:sc= -4.94! C(o=-5.9!,f=-4.9!) USER MOD Single : A 17 MET CE :methyl -140:sc= -3.65! (180deg=-5.46!) USER MOD Single : A 19 SER OG : rot -48:sc= 0.0474 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0848 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 43:sc= 1.09 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -6.15! C(o=-6.1!,f=-7.4!) USER MOD Single : A 46 THR OG1 : rot 111:sc= -0.558! USER MOD Single : A 48 GLN : amide:sc= -0.499! X(o=-0.5!,f=-0.34) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -74:sc= 1.07 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.075 -17.975 4.374 1.00 0.00 N ATOM 2 CA GLY A 1 31.925 -16.773 4.155 1.00 0.00 C ATOM 3 C GLY A 1 31.127 -15.577 3.675 1.00 0.00 C ATOM 4 O GLY A 1 29.910 -15.524 3.850 1.00 0.00 O ATOM 0 H1 GLY A 1 31.365 -18.450 5.252 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.079 -17.687 4.449 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.186 -18.629 3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.433 -16.517 5.085 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.698 -17.007 3.423 1.00 0.00 H new ATOM 10 N SER A 2 31.815 -14.616 3.068 1.00 0.00 N ATOM 11 CA SER A 2 31.164 -13.414 2.559 1.00 0.00 C ATOM 12 C SER A 2 31.277 -13.337 1.040 1.00 0.00 C ATOM 13 O SER A 2 32.378 -13.293 0.490 1.00 0.00 O ATOM 14 CB SER A 2 31.785 -12.167 3.192 1.00 0.00 C ATOM 15 OG SER A 2 32.690 -12.517 4.224 1.00 0.00 O ATOM 0 H SER A 2 32.823 -14.646 2.916 1.00 0.00 H new ATOM 0 HA SER A 2 30.108 -13.461 2.825 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.305 -11.588 2.429 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.998 -11.529 3.595 1.00 0.00 H new ATOM 0 HG SER A 2 33.075 -11.703 4.612 1.00 0.00 H new ATOM 21 N PRO A 3 30.132 -13.321 0.340 1.00 0.00 N ATOM 22 CA PRO A 3 30.094 -13.251 -1.116 1.00 0.00 C ATOM 23 C PRO A 3 30.144 -11.817 -1.628 1.00 0.00 C ATOM 24 O PRO A 3 29.745 -10.883 -0.932 1.00 0.00 O ATOM 25 CB PRO A 3 28.747 -13.891 -1.440 1.00 0.00 C ATOM 26 CG PRO A 3 27.874 -13.538 -0.282 1.00 0.00 C ATOM 27 CD PRO A 3 28.779 -13.373 0.919 1.00 0.00 C ATOM 0 HA PRO A 3 30.948 -13.742 -1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 3 28.340 -13.506 -2.375 1.00 0.00 H new ATOM 0 HB3 PRO A 3 28.838 -14.971 -1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 3 27.324 -12.618 -0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 3 27.135 -14.319 -0.104 1.00 0.00 H new ATOM 0 HD2 PRO A 3 28.546 -12.463 1.472 1.00 0.00 H new ATOM 0 HD3 PRO A 3 28.674 -14.205 1.615 1.00 0.00 H new ATOM 35 N PRO A 4 30.639 -11.625 -2.858 1.00 0.00 N ATOM 36 CA PRO A 4 30.746 -10.299 -3.473 1.00 0.00 C ATOM 37 C PRO A 4 29.383 -9.641 -3.670 1.00 0.00 C ATOM 38 O PRO A 4 28.867 -9.588 -4.787 1.00 0.00 O ATOM 39 CB PRO A 4 31.404 -10.573 -4.832 1.00 0.00 C ATOM 40 CG PRO A 4 32.003 -11.934 -4.713 1.00 0.00 C ATOM 41 CD PRO A 4 31.135 -12.686 -3.747 1.00 0.00 C ATOM 0 HA PRO A 4 31.313 -9.611 -2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 4 30.672 -10.535 -5.638 1.00 0.00 H new ATOM 0 HB3 PRO A 4 32.166 -9.827 -5.058 1.00 0.00 H new ATOM 0 HG2 PRO A 4 32.032 -12.433 -5.681 1.00 0.00 H new ATOM 0 HG3 PRO A 4 33.030 -11.878 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 4 30.320 -13.203 -4.254 1.00 0.00 H new ATOM 0 HD3 PRO A 4 31.699 -13.441 -3.200 1.00 0.00 H new ATOM 49 N GLU A 5 28.802 -9.143 -2.583 1.00 0.00 N ATOM 50 CA GLU A 5 27.499 -8.492 -2.651 1.00 0.00 C ATOM 51 C GLU A 5 27.306 -7.515 -1.497 1.00 0.00 C ATOM 52 O GLU A 5 26.173 -7.230 -1.107 1.00 0.00 O ATOM 53 CB GLU A 5 26.383 -9.537 -2.645 1.00 0.00 C ATOM 54 CG GLU A 5 26.045 -10.066 -1.261 1.00 0.00 C ATOM 55 CD GLU A 5 24.889 -11.046 -1.283 1.00 0.00 C ATOM 56 OE1 GLU A 5 24.730 -11.754 -2.300 1.00 0.00 O ATOM 57 OE2 GLU A 5 24.140 -11.105 -0.285 1.00 0.00 O ATOM 0 H GLU A 5 29.211 -9.177 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 5 27.456 -7.928 -3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 5 25.487 -9.100 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 5 26.677 -10.372 -3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 5 26.923 -10.553 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 5 25.797 -9.231 -0.606 1.00 0.00 H new ATOM 64 N ALA A 6 28.420 -7.014 -0.959 1.00 0.00 N ATOM 65 CA ALA A 6 28.400 -6.064 0.154 1.00 0.00 C ATOM 66 C ALA A 6 28.705 -6.769 1.468 1.00 0.00 C ATOM 67 O ALA A 6 27.814 -7.013 2.281 1.00 0.00 O ATOM 68 CB ALA A 6 27.069 -5.331 0.241 1.00 0.00 C ATOM 0 H ALA A 6 29.357 -7.254 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 6 29.176 -5.322 -0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 6 27.091 -4.634 1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 6 26.896 -4.781 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 6 26.265 -6.052 0.390 1.00 0.00 H new ATOM 74 N ASP A 7 29.977 -7.082 1.669 1.00 0.00 N ATOM 75 CA ASP A 7 30.421 -7.748 2.882 1.00 0.00 C ATOM 76 C ASP A 7 31.089 -6.740 3.802 1.00 0.00 C ATOM 77 O ASP A 7 31.625 -5.736 3.339 1.00 0.00 O ATOM 78 CB ASP A 7 31.398 -8.879 2.548 1.00 0.00 C ATOM 79 CG ASP A 7 31.164 -9.457 1.167 1.00 0.00 C ATOM 80 OD1 ASP A 7 31.185 -8.683 0.187 1.00 0.00 O ATOM 81 OD2 ASP A 7 30.960 -10.685 1.064 1.00 0.00 O ATOM 0 H ASP A 7 30.723 -6.883 1.002 1.00 0.00 H new ATOM 0 HA ASP A 7 29.554 -8.178 3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 7 32.419 -8.504 2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 7 31.301 -9.670 3.291 1.00 0.00 H new ATOM 86 N PRO A 8 31.073 -6.991 5.116 1.00 0.00 N ATOM 87 CA PRO A 8 31.687 -6.098 6.083 1.00 0.00 C ATOM 88 C PRO A 8 32.929 -5.429 5.507 1.00 0.00 C ATOM 89 O PRO A 8 33.071 -4.212 5.542 1.00 0.00 O ATOM 90 CB PRO A 8 32.045 -7.047 7.221 1.00 0.00 C ATOM 91 CG PRO A 8 30.977 -8.093 7.188 1.00 0.00 C ATOM 92 CD PRO A 8 30.475 -8.170 5.761 1.00 0.00 C ATOM 0 HA PRO A 8 31.041 -5.275 6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 8 33.033 -7.484 7.077 1.00 0.00 H new ATOM 0 HB3 PRO A 8 32.063 -6.528 8.179 1.00 0.00 H new ATOM 0 HG2 PRO A 8 31.371 -9.057 7.510 1.00 0.00 H new ATOM 0 HG3 PRO A 8 30.165 -7.837 7.869 1.00 0.00 H new ATOM 0 HD2 PRO A 8 30.789 -9.094 5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 8 29.386 -8.141 5.718 1.00 0.00 H new ATOM 100 N ARG A 9 33.818 -6.241 4.962 1.00 0.00 N ATOM 101 CA ARG A 9 35.046 -5.745 4.362 1.00 0.00 C ATOM 102 C ARG A 9 34.786 -4.559 3.436 1.00 0.00 C ATOM 103 O ARG A 9 35.460 -3.532 3.520 1.00 0.00 O ATOM 104 CB ARG A 9 35.718 -6.870 3.577 1.00 0.00 C ATOM 105 CG ARG A 9 36.118 -8.052 4.442 1.00 0.00 C ATOM 106 CD ARG A 9 36.840 -9.118 3.635 1.00 0.00 C ATOM 107 NE ARG A 9 36.398 -10.463 3.990 1.00 0.00 N ATOM 108 CZ ARG A 9 36.489 -10.967 5.218 1.00 0.00 C ATOM 109 NH1 ARG A 9 37.002 -10.237 6.199 1.00 0.00 N ATOM 110 NH2 ARG A 9 36.067 -12.199 5.465 1.00 0.00 N ATOM 0 H ARG A 9 33.711 -7.255 4.922 1.00 0.00 H new ATOM 0 HA ARG A 9 35.699 -5.403 5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 9 35.040 -7.214 2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 9 36.604 -6.477 3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.762 -7.709 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 9 35.229 -8.483 4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 9 36.667 -8.948 2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 9 37.914 -9.033 3.801 1.00 0.00 H new ATOM 0 HE ARG A 9 35.998 -11.048 3.257 1.00 0.00 H new ATOM 0 HH11 ARG A 9 37.327 -9.288 6.012 1.00 0.00 H new ATOM 0 HH12 ARG A 9 37.071 -10.624 7.140 1.00 0.00 H new ATOM 0 HH21 ARG A 9 35.671 -12.763 4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 9 36.138 -12.583 6.407 1.00 0.00 H new ATOM 124 N LEU A 10 33.827 -4.722 2.529 1.00 0.00 N ATOM 125 CA LEU A 10 33.510 -3.678 1.565 1.00 0.00 C ATOM 126 C LEU A 10 32.299 -2.834 1.977 1.00 0.00 C ATOM 127 O LEU A 10 32.167 -1.680 1.574 1.00 0.00 O ATOM 128 CB LEU A 10 33.309 -4.293 0.182 1.00 0.00 C ATOM 129 CG LEU A 10 34.566 -4.950 -0.396 1.00 0.00 C ATOM 130 CD1 LEU A 10 34.233 -6.280 -1.048 1.00 0.00 C ATOM 131 CD2 LEU A 10 35.249 -4.020 -1.388 1.00 0.00 C ATOM 0 H LEU A 10 33.259 -5.565 2.443 1.00 0.00 H new ATOM 0 HA LEU A 10 34.357 -2.993 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 10 32.515 -5.038 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 10 32.969 -3.517 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 10 35.256 -5.142 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 10 35.143 -6.726 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 10 33.798 -6.950 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 10 33.519 -6.120 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 10 36.140 -4.505 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 10 34.563 -3.792 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 10 35.534 -3.096 -0.884 1.00 0.00 H new ATOM 143 N ILE A 11 31.435 -3.384 2.808 1.00 0.00 N ATOM 144 CA ILE A 11 30.282 -2.628 3.275 1.00 0.00 C ATOM 145 C ILE A 11 30.698 -1.769 4.462 1.00 0.00 C ATOM 146 O ILE A 11 30.132 -0.707 4.725 1.00 0.00 O ATOM 147 CB ILE A 11 29.110 -3.547 3.678 1.00 0.00 C ATOM 148 CG1 ILE A 11 27.789 -2.775 3.643 1.00 0.00 C ATOM 149 CG2 ILE A 11 29.345 -4.137 5.061 1.00 0.00 C ATOM 150 CD1 ILE A 11 26.570 -3.667 3.553 1.00 0.00 C ATOM 0 H ILE A 11 31.504 -4.335 3.170 1.00 0.00 H new ATOM 0 HA ILE A 11 29.934 -2.000 2.455 1.00 0.00 H new ATOM 0 HB ILE A 11 29.052 -4.365 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 11 27.713 -2.159 4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 11 27.797 -2.096 2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 11 28.508 -4.782 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 11 30.266 -4.720 5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 11 29.430 -3.332 5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 11 25.670 -3.052 3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 11 26.623 -4.264 2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 11 26.538 -4.328 4.419 1.00 0.00 H new ATOM 162 N GLU A 12 31.727 -2.247 5.141 1.00 0.00 N ATOM 163 CA GLU A 12 32.294 -1.549 6.283 1.00 0.00 C ATOM 164 C GLU A 12 33.514 -0.730 5.867 1.00 0.00 C ATOM 165 O GLU A 12 33.582 0.474 6.115 1.00 0.00 O ATOM 166 CB GLU A 12 32.674 -2.533 7.390 1.00 0.00 C ATOM 167 CG GLU A 12 32.387 -2.014 8.788 1.00 0.00 C ATOM 168 CD GLU A 12 33.298 -2.628 9.834 1.00 0.00 C ATOM 169 OE1 GLU A 12 34.511 -2.754 9.564 1.00 0.00 O ATOM 170 OE2 GLU A 12 32.798 -2.984 10.922 1.00 0.00 O ATOM 0 H GLU A 12 32.192 -3.127 4.917 1.00 0.00 H new ATOM 0 HA GLU A 12 31.534 -0.870 6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 12 32.130 -3.465 7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 12 33.736 -2.766 7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 12 32.503 -0.930 8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 12 31.349 -2.226 9.045 1.00 0.00 H new ATOM 177 N SER A 13 34.496 -1.408 5.274 1.00 0.00 N ATOM 178 CA SER A 13 35.741 -0.761 4.870 1.00 0.00 C ATOM 179 C SER A 13 35.711 -0.155 3.462 1.00 0.00 C ATOM 180 O SER A 13 36.316 0.892 3.241 1.00 0.00 O ATOM 181 CB SER A 13 36.899 -1.758 4.971 1.00 0.00 C ATOM 182 OG SER A 13 37.459 -2.022 3.695 1.00 0.00 O ATOM 0 H SER A 13 34.452 -2.405 5.063 1.00 0.00 H new ATOM 0 HA SER A 13 35.880 0.073 5.557 1.00 0.00 H new ATOM 0 HB2 SER A 13 37.668 -1.361 5.634 1.00 0.00 H new ATOM 0 HB3 SER A 13 36.544 -2.688 5.415 1.00 0.00 H new ATOM 0 HG SER A 13 36.850 -2.593 3.182 1.00 0.00 H new ATOM 188 N LEU A 14 35.046 -0.795 2.500 1.00 0.00 N ATOM 189 CA LEU A 14 35.033 -0.248 1.139 1.00 0.00 C ATOM 190 C LEU A 14 34.113 0.953 1.043 1.00 0.00 C ATOM 191 O LEU A 14 34.539 2.021 0.612 1.00 0.00 O ATOM 192 CB LEU A 14 34.657 -1.296 0.088 1.00 0.00 C ATOM 193 CG LEU A 14 34.556 -0.767 -1.343 1.00 0.00 C ATOM 194 CD1 LEU A 14 35.786 -1.156 -2.147 1.00 0.00 C ATOM 195 CD2 LEU A 14 33.294 -1.289 -2.012 1.00 0.00 C ATOM 0 H LEU A 14 34.525 -1.663 2.627 1.00 0.00 H new ATOM 0 HA LEU A 14 36.052 0.072 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.397 -2.096 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 14 33.700 -1.739 0.364 1.00 0.00 H new ATOM 0 HG LEU A 14 34.504 0.321 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 14 35.694 -0.770 -3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 14 36.675 -0.735 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 14 35.872 -2.242 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 14 33.236 -0.904 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 14 33.319 -2.378 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 14 32.421 -0.959 -1.449 1.00 0.00 H new ATOM 207 N SER A 15 32.854 0.794 1.441 1.00 0.00 N ATOM 208 CA SER A 15 31.913 1.906 1.389 1.00 0.00 C ATOM 209 C SER A 15 32.611 3.198 1.803 1.00 0.00 C ATOM 210 O SER A 15 32.694 4.147 1.027 1.00 0.00 O ATOM 211 CB SER A 15 30.722 1.635 2.307 1.00 0.00 C ATOM 212 OG SER A 15 31.058 1.874 3.663 1.00 0.00 O ATOM 0 H SER A 15 32.467 -0.080 1.798 1.00 0.00 H new ATOM 0 HA SER A 15 31.549 2.011 0.367 1.00 0.00 H new ATOM 0 HB2 SER A 15 29.885 2.271 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 15 30.394 0.602 2.187 1.00 0.00 H new ATOM 0 HG SER A 15 30.829 1.087 4.200 1.00 0.00 H new ATOM 218 N GLN A 16 33.105 3.225 3.037 1.00 0.00 N ATOM 219 CA GLN A 16 33.796 4.398 3.556 1.00 0.00 C ATOM 220 C GLN A 16 34.784 4.932 2.524 1.00 0.00 C ATOM 221 O GLN A 16 35.121 6.111 2.525 1.00 0.00 O ATOM 222 CB GLN A 16 34.507 4.056 4.875 1.00 0.00 C ATOM 223 CG GLN A 16 36.029 3.990 4.782 1.00 0.00 C ATOM 224 CD GLN A 16 36.668 5.344 4.529 1.00 0.00 C ATOM 225 OE1 GLN A 16 37.460 5.434 3.463 1.00 0.00 O flip ATOM 226 NE2 GLN A 16 36.455 6.296 5.280 1.00 0.00 N flip ATOM 0 H GLN A 16 33.039 2.448 3.695 1.00 0.00 H new ATOM 0 HA GLN A 16 33.063 5.179 3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 16 34.234 4.801 5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 16 34.137 3.095 5.233 1.00 0.00 H new ATOM 0 HG2 GLN A 16 36.426 3.574 5.708 1.00 0.00 H new ATOM 0 HG3 GLN A 16 36.309 3.307 3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 16 35.840 6.182 6.086 1.00 0.00 H new ATOM 0 HE22 GLN A 16 36.893 7.199 5.096 1.00 0.00 H new ATOM 235 N MET A 17 35.241 4.053 1.644 1.00 0.00 N ATOM 236 CA MET A 17 36.182 4.433 0.602 1.00 0.00 C ATOM 237 C MET A 17 35.435 4.948 -0.621 1.00 0.00 C ATOM 238 O MET A 17 35.959 5.753 -1.387 1.00 0.00 O ATOM 239 CB MET A 17 37.057 3.241 0.211 1.00 0.00 C ATOM 240 CG MET A 17 38.411 3.638 -0.350 1.00 0.00 C ATOM 241 SD MET A 17 38.297 4.363 -1.998 1.00 0.00 S ATOM 242 CE MET A 17 37.102 3.274 -2.768 1.00 0.00 C ATOM 0 H MET A 17 34.974 3.069 1.632 1.00 0.00 H new ATOM 0 HA MET A 17 36.821 5.227 0.989 1.00 0.00 H new ATOM 0 HB2 MET A 17 37.207 2.609 1.086 1.00 0.00 H new ATOM 0 HB3 MET A 17 36.528 2.640 -0.529 1.00 0.00 H new ATOM 0 HG2 MET A 17 38.884 4.352 0.324 1.00 0.00 H new ATOM 0 HG3 MET A 17 39.056 2.760 -0.388 1.00 0.00 H new ATOM 0 HE1 MET A 17 37.401 3.076 -3.797 1.00 0.00 H new ATOM 0 HE2 MET A 17 37.057 2.335 -2.216 1.00 0.00 H new ATOM 0 HE3 MET A 17 36.120 3.747 -2.760 1.00 0.00 H new ATOM 252 N LEU A 18 34.207 4.470 -0.797 1.00 0.00 N ATOM 253 CA LEU A 18 33.380 4.870 -1.930 1.00 0.00 C ATOM 254 C LEU A 18 32.529 6.099 -1.602 1.00 0.00 C ATOM 255 O LEU A 18 32.762 7.182 -2.136 1.00 0.00 O ATOM 256 CB LEU A 18 32.478 3.707 -2.342 1.00 0.00 C ATOM 257 CG LEU A 18 31.620 3.959 -3.580 1.00 0.00 C ATOM 258 CD1 LEU A 18 32.370 4.823 -4.581 1.00 0.00 C ATOM 259 CD2 LEU A 18 31.203 2.640 -4.213 1.00 0.00 C ATOM 0 H LEU A 18 33.762 3.803 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 18 34.042 5.135 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 18 33.101 2.831 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.821 3.464 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 18 30.720 4.493 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 18 31.744 4.992 -5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.618 5.780 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 18 33.287 4.317 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.592 2.836 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.091 2.080 -4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 18 30.627 2.058 -3.494 1.00 0.00 H new ATOM 271 N SER A 19 31.520 5.918 -0.745 1.00 0.00 N ATOM 272 CA SER A 19 30.602 6.999 -0.365 1.00 0.00 C ATOM 273 C SER A 19 31.260 8.102 0.474 1.00 0.00 C ATOM 274 O SER A 19 30.566 8.968 1.007 1.00 0.00 O ATOM 275 CB SER A 19 29.415 6.420 0.405 1.00 0.00 C ATOM 276 OG SER A 19 28.266 7.237 0.263 1.00 0.00 O ATOM 0 H SER A 19 31.316 5.025 -0.297 1.00 0.00 H new ATOM 0 HA SER A 19 30.276 7.464 -1.295 1.00 0.00 H new ATOM 0 HB2 SER A 19 29.198 5.415 0.042 1.00 0.00 H new ATOM 0 HB3 SER A 19 29.672 6.329 1.460 1.00 0.00 H new ATOM 0 HG SER A 19 28.507 8.172 0.429 1.00 0.00 H new ATOM 282 N MET A 20 32.581 8.091 0.577 1.00 0.00 N ATOM 283 CA MET A 20 33.284 9.116 1.334 1.00 0.00 C ATOM 284 C MET A 20 34.023 10.053 0.386 1.00 0.00 C ATOM 285 O MET A 20 34.431 11.149 0.767 1.00 0.00 O ATOM 286 CB MET A 20 34.261 8.483 2.321 1.00 0.00 C ATOM 287 CG MET A 20 34.813 9.458 3.348 1.00 0.00 C ATOM 288 SD MET A 20 33.518 10.402 4.174 1.00 0.00 S ATOM 289 CE MET A 20 34.459 11.207 5.467 1.00 0.00 C ATOM 0 H MET A 20 33.184 7.389 0.149 1.00 0.00 H new ATOM 0 HA MET A 20 32.551 9.692 1.900 1.00 0.00 H new ATOM 0 HB2 MET A 20 33.760 7.667 2.841 1.00 0.00 H new ATOM 0 HB3 MET A 20 35.091 8.045 1.766 1.00 0.00 H new ATOM 0 HG2 MET A 20 35.388 8.908 4.093 1.00 0.00 H new ATOM 0 HG3 MET A 20 35.502 10.146 2.857 1.00 0.00 H new ATOM 0 HE1 MET A 20 33.795 11.830 6.066 1.00 0.00 H new ATOM 0 HE2 MET A 20 34.922 10.453 6.103 1.00 0.00 H new ATOM 0 HE3 MET A 20 35.234 11.829 5.019 1.00 0.00 H new ATOM 299 N GLY A 21 34.192 9.602 -0.853 1.00 0.00 N ATOM 300 CA GLY A 21 34.883 10.400 -1.846 1.00 0.00 C ATOM 301 C GLY A 21 36.291 9.901 -2.094 1.00 0.00 C ATOM 302 O GLY A 21 37.230 10.691 -2.199 1.00 0.00 O ATOM 0 H GLY A 21 33.862 8.696 -1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.322 10.382 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 21 34.919 11.438 -1.516 1.00 0.00 H new ATOM 306 N PHE A 22 36.436 8.584 -2.196 1.00 0.00 N ATOM 307 CA PHE A 22 37.725 7.974 -2.440 1.00 0.00 C ATOM 308 C PHE A 22 37.574 6.859 -3.455 1.00 0.00 C ATOM 309 O PHE A 22 36.511 6.250 -3.569 1.00 0.00 O ATOM 310 CB PHE A 22 38.320 7.423 -1.143 1.00 0.00 C ATOM 311 CG PHE A 22 38.981 8.466 -0.285 1.00 0.00 C ATOM 312 CD1 PHE A 22 39.695 9.508 -0.857 1.00 0.00 C ATOM 313 CD2 PHE A 22 38.894 8.397 1.097 1.00 0.00 C ATOM 314 CE1 PHE A 22 40.309 10.460 -0.068 1.00 0.00 C ATOM 315 CE2 PHE A 22 39.505 9.349 1.891 1.00 0.00 C ATOM 316 CZ PHE A 22 40.214 10.382 1.308 1.00 0.00 C ATOM 0 H PHE A 22 35.667 7.920 -2.112 1.00 0.00 H new ATOM 0 HA PHE A 22 38.402 8.733 -2.830 1.00 0.00 H new ATOM 0 HB2 PHE A 22 37.529 6.941 -0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 22 39.051 6.652 -1.389 1.00 0.00 H new ATOM 0 HD1 PHE A 22 39.772 9.576 -1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 22 38.343 7.591 1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 22 40.863 11.266 -0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 22 39.428 9.286 2.966 1.00 0.00 H new ATOM 0 HZ PHE A 22 40.693 11.127 1.927 1.00 0.00 H new ATOM 326 N SER A 23 38.632 6.591 -4.191 1.00 0.00 N ATOM 327 CA SER A 23 38.590 5.542 -5.188 1.00 0.00 C ATOM 328 C SER A 23 39.946 4.858 -5.281 1.00 0.00 C ATOM 329 O SER A 23 40.706 4.852 -4.318 1.00 0.00 O ATOM 330 CB SER A 23 38.186 6.109 -6.550 1.00 0.00 C ATOM 331 OG SER A 23 37.119 7.034 -6.422 1.00 0.00 O ATOM 0 H SER A 23 39.524 7.080 -4.119 1.00 0.00 H new ATOM 0 HA SER A 23 37.843 4.807 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 23 39.043 6.599 -7.012 1.00 0.00 H new ATOM 0 HB3 SER A 23 37.889 5.296 -7.212 1.00 0.00 H new ATOM 0 HG SER A 23 36.881 7.383 -7.306 1.00 0.00 H new ATOM 337 N ASP A 24 40.262 4.294 -6.438 1.00 0.00 N ATOM 338 CA ASP A 24 41.548 3.636 -6.617 1.00 0.00 C ATOM 339 C ASP A 24 42.443 4.476 -7.516 1.00 0.00 C ATOM 340 O ASP A 24 42.141 4.673 -8.694 1.00 0.00 O ATOM 341 CB ASP A 24 41.363 2.242 -7.227 1.00 0.00 C ATOM 342 CG ASP A 24 39.950 2.002 -7.723 1.00 0.00 C ATOM 343 OD1 ASP A 24 39.672 2.317 -8.899 1.00 0.00 O ATOM 344 OD2 ASP A 24 39.120 1.501 -6.934 1.00 0.00 O ATOM 0 H ASP A 24 39.654 4.278 -7.257 1.00 0.00 H new ATOM 0 HA ASP A 24 42.018 3.529 -5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 24 42.060 2.117 -8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 24 41.615 1.488 -6.482 1.00 0.00 H new ATOM 349 N GLU A 25 43.545 4.973 -6.962 1.00 0.00 N ATOM 350 CA GLU A 25 44.467 5.791 -7.738 1.00 0.00 C ATOM 351 C GLU A 25 44.749 5.131 -9.069 1.00 0.00 C ATOM 352 O GLU A 25 44.232 5.542 -10.108 1.00 0.00 O ATOM 353 CB GLU A 25 45.777 6.016 -6.983 1.00 0.00 C ATOM 354 CG GLU A 25 46.801 6.819 -7.767 1.00 0.00 C ATOM 355 CD GLU A 25 48.218 6.333 -7.538 1.00 0.00 C ATOM 356 OE1 GLU A 25 48.400 5.117 -7.318 1.00 0.00 O ATOM 357 OE2 GLU A 25 49.146 7.168 -7.576 1.00 0.00 O ATOM 0 H GLU A 25 43.818 4.825 -5.990 1.00 0.00 H new ATOM 0 HA GLU A 25 43.999 6.761 -7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 25 45.563 6.531 -6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 25 46.208 5.049 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 25 46.567 6.760 -8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 25 46.730 7.869 -7.483 1.00 0.00 H new ATOM 364 N GLY A 26 45.567 4.101 -9.022 1.00 0.00 N ATOM 365 CA GLY A 26 45.918 3.373 -10.219 1.00 0.00 C ATOM 366 C GLY A 26 45.530 1.911 -10.131 1.00 0.00 C ATOM 367 O GLY A 26 46.232 1.042 -10.649 1.00 0.00 O ATOM 0 H GLY A 26 46.000 3.750 -8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 26 45.424 3.828 -11.077 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.992 3.453 -10.390 1.00 0.00 H new ATOM 371 N GLY A 27 44.403 1.638 -9.480 1.00 0.00 N ATOM 372 CA GLY A 27 43.939 0.271 -9.345 1.00 0.00 C ATOM 373 C GLY A 27 44.618 -0.457 -8.207 1.00 0.00 C ATOM 374 O GLY A 27 44.940 -1.640 -8.323 1.00 0.00 O ATOM 0 H GLY A 27 43.804 2.339 -9.044 1.00 0.00 H new ATOM 0 HA2 GLY A 27 42.861 0.270 -9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 27 44.121 -0.265 -10.276 1.00 0.00 H new ATOM 378 N TRP A 28 44.836 0.246 -7.102 1.00 0.00 N ATOM 379 CA TRP A 28 45.478 -0.350 -5.947 1.00 0.00 C ATOM 380 C TRP A 28 44.451 -0.847 -4.937 1.00 0.00 C ATOM 381 O TRP A 28 44.686 -1.841 -4.260 1.00 0.00 O ATOM 382 CB TRP A 28 46.447 0.634 -5.281 1.00 0.00 C ATOM 383 CG TRP A 28 45.820 1.928 -4.864 1.00 0.00 C ATOM 384 CD1 TRP A 28 46.051 3.154 -5.406 1.00 0.00 C ATOM 385 CD2 TRP A 28 44.869 2.131 -3.813 1.00 0.00 C ATOM 386 NE1 TRP A 28 45.307 4.105 -4.754 1.00 0.00 N ATOM 387 CE2 TRP A 28 44.569 3.501 -3.780 1.00 0.00 C ATOM 388 CE3 TRP A 28 44.244 1.288 -2.901 1.00 0.00 C ATOM 389 CZ2 TRP A 28 43.667 4.043 -2.869 1.00 0.00 C ATOM 390 CZ3 TRP A 28 43.347 1.821 -2.000 1.00 0.00 C ATOM 391 CH2 TRP A 28 43.065 3.187 -1.988 1.00 0.00 C ATOM 0 H TRP A 28 44.577 1.226 -6.986 1.00 0.00 H new ATOM 0 HA TRP A 28 46.050 -1.207 -6.301 1.00 0.00 H new ATOM 0 HB2 TRP A 28 46.886 0.157 -4.405 1.00 0.00 H new ATOM 0 HB3 TRP A 28 47.264 0.845 -5.971 1.00 0.00 H new ATOM 0 HD1 TRP A 28 46.722 3.350 -6.229 1.00 0.00 H new ATOM 0 HE1 TRP A 28 45.306 5.103 -4.964 1.00 0.00 H new ATOM 0 HE3 TRP A 28 44.458 0.229 -2.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 43.450 5.101 -2.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 42.855 1.171 -1.292 1.00 0.00 H new ATOM 0 HH2 TRP A 28 42.358 3.576 -1.270 1.00 0.00 H new ATOM 402 N LEU A 29 43.314 -0.159 -4.828 1.00 0.00 N ATOM 403 CA LEU A 29 42.281 -0.564 -3.875 1.00 0.00 C ATOM 404 C LEU A 29 42.141 -2.075 -3.872 1.00 0.00 C ATOM 405 O LEU A 29 42.460 -2.734 -2.882 1.00 0.00 O ATOM 406 CB LEU A 29 40.945 0.121 -4.193 1.00 0.00 C ATOM 407 CG LEU A 29 39.693 -0.651 -3.766 1.00 0.00 C ATOM 408 CD1 LEU A 29 39.407 -0.422 -2.290 1.00 0.00 C ATOM 409 CD2 LEU A 29 38.497 -0.235 -4.608 1.00 0.00 C ATOM 0 H LEU A 29 43.087 0.669 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 29 42.580 -0.246 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 29 40.932 1.097 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 29 40.893 0.298 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 29 39.873 -1.714 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 29 38.514 -0.977 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 29 40.255 -0.766 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 29 39.246 0.641 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 29 37.617 -0.794 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.315 0.832 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 29 38.701 -0.445 -5.658 1.00 0.00 H new ATOM 421 N THR A 30 41.680 -2.626 -4.984 1.00 0.00 N ATOM 422 CA THR A 30 41.524 -4.069 -5.096 1.00 0.00 C ATOM 423 C THR A 30 42.701 -4.773 -4.424 1.00 0.00 C ATOM 424 O THR A 30 42.570 -5.887 -3.918 1.00 0.00 O ATOM 425 CB THR A 30 41.431 -4.485 -6.565 1.00 0.00 C ATOM 426 OG1 THR A 30 41.670 -5.874 -6.711 1.00 0.00 O ATOM 427 CG2 THR A 30 42.410 -3.752 -7.457 1.00 0.00 C ATOM 0 H THR A 30 41.409 -2.102 -5.816 1.00 0.00 H new ATOM 0 HA THR A 30 40.601 -4.361 -4.595 1.00 0.00 H new ATOM 0 HB THR A 30 40.419 -4.226 -6.875 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.604 -6.120 -7.657 1.00 0.00 H new ATOM 0 HG21 THR A 30 42.292 -4.094 -8.485 1.00 0.00 H new ATOM 0 HG22 THR A 30 42.217 -2.681 -7.406 1.00 0.00 H new ATOM 0 HG23 THR A 30 43.428 -3.953 -7.123 1.00 0.00 H new ATOM 435 N ARG A 31 43.853 -4.104 -4.429 1.00 0.00 N ATOM 436 CA ARG A 31 45.070 -4.639 -3.828 1.00 0.00 C ATOM 437 C ARG A 31 45.243 -4.149 -2.389 1.00 0.00 C ATOM 438 O ARG A 31 45.220 -4.938 -1.445 1.00 0.00 O ATOM 439 CB ARG A 31 46.275 -4.222 -4.672 1.00 0.00 C ATOM 440 CG ARG A 31 45.939 -4.021 -6.141 1.00 0.00 C ATOM 441 CD ARG A 31 47.055 -4.515 -7.046 1.00 0.00 C ATOM 442 NE ARG A 31 48.242 -3.667 -6.972 1.00 0.00 N ATOM 443 CZ ARG A 31 49.455 -4.076 -7.324 1.00 0.00 C ATOM 444 NH1 ARG A 31 49.634 -5.314 -7.765 1.00 0.00 N ATOM 445 NH2 ARG A 31 50.491 -3.250 -7.240 1.00 0.00 N ATOM 0 H ARG A 31 43.967 -3.181 -4.848 1.00 0.00 H new ATOM 0 HA ARG A 31 44.994 -5.726 -3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 31 46.688 -3.296 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 31 47.052 -4.982 -4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 31 45.016 -4.550 -6.379 1.00 0.00 H new ATOM 0 HG3 ARG A 31 45.758 -2.963 -6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 31 47.321 -5.535 -6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 31 46.698 -4.548 -8.075 1.00 0.00 H new ATOM 0 HE ARG A 31 48.133 -2.711 -6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 31 48.840 -5.951 -7.833 1.00 0.00 H new ATOM 0 HH12 ARG A 31 50.566 -5.629 -8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 31 50.357 -2.296 -6.904 1.00 0.00 H new ATOM 0 HH22 ARG A 31 51.421 -3.569 -7.512 1.00 0.00 H new ATOM 459 N LEU A 32 45.418 -2.839 -2.232 1.00 0.00 N ATOM 460 CA LEU A 32 45.597 -2.226 -0.918 1.00 0.00 C ATOM 461 C LEU A 32 44.803 -2.972 0.153 1.00 0.00 C ATOM 462 O LEU A 32 45.382 -3.585 1.050 1.00 0.00 O ATOM 463 CB LEU A 32 45.169 -0.761 -0.992 1.00 0.00 C ATOM 464 CG LEU A 32 45.320 0.047 0.291 1.00 0.00 C ATOM 465 CD1 LEU A 32 44.251 -0.340 1.295 1.00 0.00 C ATOM 466 CD2 LEU A 32 46.712 -0.134 0.869 1.00 0.00 C ATOM 0 H LEU A 32 45.440 -2.176 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 32 46.648 -2.284 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.749 -0.273 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.124 -0.724 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 32 45.188 1.103 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 32 44.376 0.248 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 32 43.266 -0.147 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.342 -1.400 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 32 46.804 0.449 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.879 -1.188 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 32 47.453 0.206 0.146 1.00 0.00 H new ATOM 478 N LEU A 33 43.478 -2.938 0.045 1.00 0.00 N ATOM 479 CA LEU A 33 42.617 -3.636 0.996 1.00 0.00 C ATOM 480 C LEU A 33 43.173 -5.031 1.265 1.00 0.00 C ATOM 481 O LEU A 33 43.517 -5.374 2.390 1.00 0.00 O ATOM 482 CB LEU A 33 41.194 -3.732 0.442 1.00 0.00 C ATOM 483 CG LEU A 33 40.175 -2.808 1.107 1.00 0.00 C ATOM 484 CD1 LEU A 33 40.478 -1.354 0.779 1.00 0.00 C ATOM 485 CD2 LEU A 33 38.764 -3.175 0.672 1.00 0.00 C ATOM 0 H LEU A 33 42.978 -2.436 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 33 42.590 -3.078 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 33 41.220 -3.510 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 33 40.849 -4.761 0.545 1.00 0.00 H new ATOM 0 HG LEU A 33 40.246 -2.935 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 33 39.742 -0.711 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 33 41.474 -1.099 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 33 40.435 -1.208 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 33 38.049 -2.508 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 33 38.680 -3.076 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 33 38.551 -4.204 0.960 1.00 0.00 H new ATOM 497 N GLN A 34 43.238 -5.825 0.207 1.00 0.00 N ATOM 498 CA GLN A 34 43.748 -7.193 0.287 1.00 0.00 C ATOM 499 C GLN A 34 44.969 -7.275 1.215 1.00 0.00 C ATOM 500 O GLN A 34 45.022 -8.113 2.114 1.00 0.00 O ATOM 501 CB GLN A 34 44.129 -7.678 -1.105 1.00 0.00 C ATOM 502 CG GLN A 34 42.951 -7.786 -2.057 1.00 0.00 C ATOM 503 CD GLN A 34 42.196 -9.092 -1.904 1.00 0.00 C ATOM 504 OE1 GLN A 34 40.877 -8.999 -1.785 1.00 0.00 O flip ATOM 505 NE2 GLN A 34 42.791 -10.169 -1.894 1.00 0.00 N flip ATOM 0 H GLN A 34 42.942 -5.545 -0.728 1.00 0.00 H new ATOM 0 HA GLN A 34 42.963 -7.828 0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 34 44.866 -6.996 -1.529 1.00 0.00 H new ATOM 0 HB3 GLN A 34 44.608 -8.653 -1.022 1.00 0.00 H new ATOM 0 HG2 GLN A 34 42.269 -6.954 -1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 34 43.308 -7.695 -3.083 1.00 0.00 H new ATOM 0 HE21 GLN A 34 43.806 -10.192 -1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 34 42.269 -11.039 -1.791 1.00 0.00 H new ATOM 514 N THR A 35 45.937 -6.385 0.991 1.00 0.00 N ATOM 515 CA THR A 35 47.162 -6.324 1.801 1.00 0.00 C ATOM 516 C THR A 35 46.901 -5.630 3.140 1.00 0.00 C ATOM 517 O THR A 35 47.802 -5.466 3.964 1.00 0.00 O ATOM 518 CB THR A 35 48.268 -5.591 1.045 1.00 0.00 C ATOM 519 OG1 THR A 35 47.718 -4.659 0.130 1.00 0.00 O ATOM 520 CG2 THR A 35 49.177 -6.517 0.267 1.00 0.00 C ATOM 0 H THR A 35 45.898 -5.688 0.247 1.00 0.00 H new ATOM 0 HA THR A 35 47.483 -7.347 1.997 1.00 0.00 H new ATOM 0 HB THR A 35 48.858 -5.090 1.812 1.00 0.00 H new ATOM 0 HG1 THR A 35 46.975 -4.182 0.556 1.00 0.00 H new ATOM 0 HG21 THR A 35 49.940 -5.931 -0.246 1.00 0.00 H new ATOM 0 HG22 THR A 35 49.656 -7.216 0.952 1.00 0.00 H new ATOM 0 HG23 THR A 35 48.591 -7.071 -0.466 1.00 0.00 H new ATOM 528 N LYS A 36 45.653 -5.244 3.336 1.00 0.00 N ATOM 529 CA LYS A 36 45.216 -4.581 4.551 1.00 0.00 C ATOM 530 C LYS A 36 43.991 -5.285 5.119 1.00 0.00 C ATOM 531 O LYS A 36 43.167 -4.672 5.792 1.00 0.00 O ATOM 532 CB LYS A 36 44.895 -3.114 4.263 1.00 0.00 C ATOM 533 CG LYS A 36 45.502 -2.151 5.268 1.00 0.00 C ATOM 534 CD LYS A 36 44.461 -1.667 6.258 1.00 0.00 C ATOM 535 CE LYS A 36 45.037 -0.640 7.220 1.00 0.00 C ATOM 536 NZ LYS A 36 44.644 -0.922 8.628 1.00 0.00 N ATOM 0 H LYS A 36 44.909 -5.383 2.652 1.00 0.00 H new ATOM 0 HA LYS A 36 46.020 -4.626 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 36 45.255 -2.861 3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 36 43.813 -2.982 4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 36 46.315 -2.643 5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 36 45.934 -1.298 4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 36 43.621 -1.230 5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 36 44.072 -2.515 6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 36 46.124 -0.636 7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 36 44.693 0.355 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 45.055 -0.201 9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 43.607 -0.901 8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 44.994 -1.861 8.905 1.00 0.00 H new ATOM 550 N ASN A 37 43.868 -6.575 4.812 1.00 0.00 N ATOM 551 CA ASN A 37 42.734 -7.372 5.265 1.00 0.00 C ATOM 552 C ASN A 37 41.428 -6.663 4.929 1.00 0.00 C ATOM 553 O ASN A 37 40.460 -6.718 5.688 1.00 0.00 O ATOM 554 CB ASN A 37 42.825 -7.655 6.769 1.00 0.00 C ATOM 555 CG ASN A 37 42.817 -6.392 7.609 1.00 0.00 C ATOM 556 OD1 ASN A 37 43.856 -5.764 7.815 1.00 0.00 O ATOM 557 ND2 ASN A 37 41.642 -6.012 8.096 1.00 0.00 N ATOM 0 H ASN A 37 44.544 -7.091 4.249 1.00 0.00 H new ATOM 0 HA ASN A 37 42.757 -8.329 4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 37 41.989 -8.288 7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 37 43.737 -8.216 6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 37 41.575 -5.169 8.666 1.00 0.00 H new ATOM 0 HD22 ASN A 37 40.806 -6.563 7.900 1.00 0.00 H new ATOM 564 N TYR A 38 41.420 -5.994 3.780 1.00 0.00 N ATOM 565 CA TYR A 38 40.245 -5.266 3.322 1.00 0.00 C ATOM 566 C TYR A 38 39.975 -4.054 4.204 1.00 0.00 C ATOM 567 O TYR A 38 38.900 -3.935 4.791 1.00 0.00 O ATOM 568 CB TYR A 38 39.023 -6.183 3.314 1.00 0.00 C ATOM 569 CG TYR A 38 38.705 -6.763 1.953 1.00 0.00 C ATOM 570 CD1 TYR A 38 39.322 -7.926 1.513 1.00 0.00 C ATOM 571 CD2 TYR A 38 37.788 -6.146 1.111 1.00 0.00 C ATOM 572 CE1 TYR A 38 39.033 -8.460 0.271 1.00 0.00 C ATOM 573 CE2 TYR A 38 37.495 -6.674 -0.131 1.00 0.00 C ATOM 574 CZ TYR A 38 38.120 -7.831 -0.548 1.00 0.00 C ATOM 575 OH TYR A 38 37.830 -8.361 -1.785 1.00 0.00 O ATOM 0 H TYR A 38 42.219 -5.942 3.148 1.00 0.00 H new ATOM 0 HA TYR A 38 40.439 -4.918 2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 38 39.188 -6.999 4.017 1.00 0.00 H new ATOM 0 HB3 TYR A 38 38.158 -5.624 3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 38 40.039 -8.421 2.151 1.00 0.00 H new ATOM 0 HD2 TYR A 38 37.297 -5.240 1.433 1.00 0.00 H new ATOM 0 HE1 TYR A 38 39.521 -9.366 -0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 38 36.779 -6.183 -0.774 1.00 0.00 H new ATOM 0 HH TYR A 38 38.645 -8.737 -2.179 1.00 0.00 H new ATOM 585 N ASP A 39 40.953 -3.158 4.305 1.00 0.00 N ATOM 586 CA ASP A 39 40.790 -1.966 5.136 1.00 0.00 C ATOM 587 C ASP A 39 41.212 -0.705 4.413 1.00 0.00 C ATOM 588 O ASP A 39 42.160 -0.704 3.626 1.00 0.00 O ATOM 589 CB ASP A 39 41.574 -2.106 6.439 1.00 0.00 C ATOM 590 CG ASP A 39 40.702 -2.560 7.594 1.00 0.00 C ATOM 591 OD1 ASP A 39 40.033 -1.701 8.206 1.00 0.00 O ATOM 592 OD2 ASP A 39 40.687 -3.774 7.886 1.00 0.00 O ATOM 0 H ASP A 39 41.853 -3.231 3.831 1.00 0.00 H new ATOM 0 HA ASP A 39 39.727 -1.879 5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.385 -2.821 6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.033 -1.149 6.688 1.00 0.00 H new ATOM 597 N ILE A 40 40.497 0.375 4.698 1.00 0.00 N ATOM 598 CA ILE A 40 40.780 1.657 4.098 1.00 0.00 C ATOM 599 C ILE A 40 41.787 2.405 4.944 1.00 0.00 C ATOM 600 O ILE A 40 42.443 3.334 4.475 1.00 0.00 O ATOM 601 CB ILE A 40 39.510 2.513 3.949 1.00 0.00 C ATOM 602 CG1 ILE A 40 38.762 2.586 5.283 1.00 0.00 C ATOM 603 CG2 ILE A 40 38.616 1.948 2.856 1.00 0.00 C ATOM 604 CD1 ILE A 40 37.753 1.474 5.477 1.00 0.00 C ATOM 0 H ILE A 40 39.711 0.380 5.348 1.00 0.00 H new ATOM 0 HA ILE A 40 41.184 1.473 3.102 1.00 0.00 H new ATOM 0 HB ILE A 40 39.798 3.524 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 40 39.486 2.554 6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 40 38.249 3.546 5.350 1.00 0.00 H new ATOM 0 HG21 ILE A 40 37.722 2.564 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 40 39.156 1.946 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 40 38.329 0.928 3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 40 37.263 1.592 6.444 1.00 0.00 H new ATOM 0 HD12 ILE A 40 37.006 1.518 4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 40 38.262 0.511 5.443 1.00 0.00 H new ATOM 616 N GLY A 41 41.908 1.985 6.200 1.00 0.00 N ATOM 617 CA GLY A 41 42.845 2.622 7.092 1.00 0.00 C ATOM 618 C GLY A 41 44.124 2.972 6.378 1.00 0.00 C ATOM 619 O GLY A 41 44.714 4.030 6.599 1.00 0.00 O ATOM 0 H GLY A 41 41.374 1.218 6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 41 42.399 3.525 7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 41 43.062 1.959 7.929 1.00 0.00 H new ATOM 623 N ALA A 42 44.528 2.077 5.494 1.00 0.00 N ATOM 624 CA ALA A 42 45.724 2.270 4.696 1.00 0.00 C ATOM 625 C ALA A 42 45.348 2.765 3.315 1.00 0.00 C ATOM 626 O ALA A 42 46.136 3.437 2.649 1.00 0.00 O ATOM 627 CB ALA A 42 46.539 0.988 4.617 1.00 0.00 C ATOM 0 H ALA A 42 44.039 1.201 5.310 1.00 0.00 H new ATOM 0 HA ALA A 42 46.348 3.024 5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 42 47.430 1.160 4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 42 46.834 0.682 5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 42 45.937 0.202 4.160 1.00 0.00 H new ATOM 633 N ALA A 43 44.121 2.472 2.902 1.00 0.00 N ATOM 634 CA ALA A 43 43.646 2.947 1.611 1.00 0.00 C ATOM 635 C ALA A 43 43.875 4.449 1.535 1.00 0.00 C ATOM 636 O ALA A 43 44.509 4.951 0.609 1.00 0.00 O ATOM 637 CB ALA A 43 42.171 2.621 1.414 1.00 0.00 C ATOM 0 H ALA A 43 43.448 1.918 3.432 1.00 0.00 H new ATOM 0 HA ALA A 43 44.198 2.445 0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 43 41.844 2.988 0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 43 42.027 1.542 1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 43 41.585 3.100 2.198 1.00 0.00 H new ATOM 643 N LEU A 44 43.377 5.148 2.550 1.00 0.00 N ATOM 644 CA LEU A 44 43.536 6.593 2.642 1.00 0.00 C ATOM 645 C LEU A 44 44.945 6.996 2.222 1.00 0.00 C ATOM 646 O LEU A 44 45.142 7.620 1.178 1.00 0.00 O ATOM 647 CB LEU A 44 43.259 7.063 4.073 1.00 0.00 C ATOM 648 CG LEU A 44 41.810 7.475 4.341 1.00 0.00 C ATOM 649 CD1 LEU A 44 40.948 6.250 4.607 1.00 0.00 C ATOM 650 CD2 LEU A 44 41.738 8.445 5.512 1.00 0.00 C ATOM 0 H LEU A 44 42.857 4.733 3.324 1.00 0.00 H new ATOM 0 HA LEU A 44 42.821 7.068 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 44 43.528 6.263 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 44 43.910 7.908 4.296 1.00 0.00 H new ATOM 0 HG LEU A 44 41.426 7.979 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 44 39.921 6.562 4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 44 40.974 5.592 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 44 41.331 5.718 5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 44 40.700 8.727 5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 44 42.141 7.967 6.405 1.00 0.00 H new ATOM 0 HD23 LEU A 44 42.322 9.336 5.283 1.00 0.00 H new ATOM 662 N ASP A 45 45.921 6.642 3.051 1.00 0.00 N ATOM 663 CA ASP A 45 47.316 6.974 2.777 1.00 0.00 C ATOM 664 C ASP A 45 47.668 6.767 1.302 1.00 0.00 C ATOM 665 O ASP A 45 48.585 7.404 0.781 1.00 0.00 O ATOM 666 CB ASP A 45 48.244 6.131 3.655 1.00 0.00 C ATOM 667 CG ASP A 45 49.706 6.466 3.436 1.00 0.00 C ATOM 668 OD1 ASP A 45 50.312 5.896 2.504 1.00 0.00 O ATOM 669 OD2 ASP A 45 50.246 7.297 4.198 1.00 0.00 O ATOM 0 H ASP A 45 45.773 6.125 3.918 1.00 0.00 H new ATOM 0 HA ASP A 45 47.454 8.030 3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 45 47.991 6.289 4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 45 48.080 5.074 3.443 1.00 0.00 H new ATOM 674 N THR A 46 46.952 5.864 0.638 1.00 0.00 N ATOM 675 CA THR A 46 47.212 5.564 -0.771 1.00 0.00 C ATOM 676 C THR A 46 46.287 6.337 -1.715 1.00 0.00 C ATOM 677 O THR A 46 46.688 6.706 -2.819 1.00 0.00 O ATOM 678 CB THR A 46 47.055 4.063 -1.021 1.00 0.00 C ATOM 679 OG1 THR A 46 45.691 3.686 -0.954 1.00 0.00 O ATOM 680 CG2 THR A 46 47.815 3.209 -0.032 1.00 0.00 C ATOM 0 H THR A 46 46.189 5.327 1.050 1.00 0.00 H new ATOM 0 HA THR A 46 48.234 5.878 -0.982 1.00 0.00 H new ATOM 0 HB THR A 46 47.466 3.890 -2.016 1.00 0.00 H new ATOM 0 HG1 THR A 46 45.375 3.440 -1.849 1.00 0.00 H new ATOM 0 HG21 THR A 46 47.660 2.156 -0.267 1.00 0.00 H new ATOM 0 HG22 THR A 46 48.878 3.442 -0.092 1.00 0.00 H new ATOM 0 HG23 THR A 46 47.455 3.413 0.977 1.00 0.00 H new ATOM 688 N ILE A 47 45.046 6.553 -1.293 1.00 0.00 N ATOM 689 CA ILE A 47 44.068 7.255 -2.133 1.00 0.00 C ATOM 690 C ILE A 47 44.353 8.746 -2.234 1.00 0.00 C ATOM 691 O ILE A 47 44.150 9.343 -3.291 1.00 0.00 O ATOM 692 CB ILE A 47 42.612 7.085 -1.642 1.00 0.00 C ATOM 693 CG1 ILE A 47 42.534 6.109 -0.475 1.00 0.00 C ATOM 694 CG2 ILE A 47 41.717 6.618 -2.779 1.00 0.00 C ATOM 695 CD1 ILE A 47 41.126 5.854 0.017 1.00 0.00 C ATOM 0 H ILE A 47 44.691 6.257 -0.384 1.00 0.00 H new ATOM 0 HA ILE A 47 44.173 6.789 -3.113 1.00 0.00 H new ATOM 0 HB ILE A 47 42.262 8.057 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 47 42.981 5.161 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 47 43.132 6.496 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 47 40.696 6.504 -2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 47 41.735 7.354 -3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 47 42.077 5.661 -3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 47 41.153 5.149 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 47 40.682 6.792 0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 47 40.528 5.437 -0.793 1.00 0.00 H new ATOM 707 N GLN A 48 44.800 9.357 -1.143 1.00 0.00 N ATOM 708 CA GLN A 48 45.071 10.791 -1.153 1.00 0.00 C ATOM 709 C GLN A 48 45.714 11.264 0.147 1.00 0.00 C ATOM 710 O GLN A 48 45.487 12.397 0.573 1.00 0.00 O ATOM 711 CB GLN A 48 43.764 11.559 -1.373 1.00 0.00 C ATOM 712 CG GLN A 48 43.499 11.945 -2.820 1.00 0.00 C ATOM 713 CD GLN A 48 42.078 11.626 -3.253 1.00 0.00 C ATOM 714 OE1 GLN A 48 41.302 12.522 -3.584 1.00 0.00 O ATOM 715 NE2 GLN A 48 41.731 10.341 -3.250 1.00 0.00 N ATOM 0 H GLN A 48 44.980 8.892 -0.253 1.00 0.00 H new ATOM 0 HA GLN A 48 45.772 10.985 -1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 48 42.934 10.950 -1.014 1.00 0.00 H new ATOM 0 HB3 GLN A 48 43.782 12.464 -0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 48 43.685 13.011 -2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 48 44.200 11.419 -3.468 1.00 0.00 H new ATOM 0 HE21 GLN A 48 42.407 9.631 -2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 48 40.789 10.066 -3.530 1.00 0.00 H new ATOM 724 N TYR A 49 46.509 10.412 0.782 1.00 0.00 N ATOM 725 CA TYR A 49 47.162 10.786 2.033 1.00 0.00 C ATOM 726 C TYR A 49 48.558 10.181 2.129 1.00 0.00 C ATOM 727 O TYR A 49 49.073 9.959 3.226 1.00 0.00 O ATOM 728 CB TYR A 49 46.320 10.331 3.226 1.00 0.00 C ATOM 729 CG TYR A 49 45.205 11.288 3.586 1.00 0.00 C ATOM 730 CD1 TYR A 49 45.484 12.571 4.037 1.00 0.00 C ATOM 731 CD2 TYR A 49 43.873 10.907 3.474 1.00 0.00 C ATOM 732 CE1 TYR A 49 44.468 13.448 4.367 1.00 0.00 C ATOM 733 CE2 TYR A 49 42.853 11.778 3.802 1.00 0.00 C ATOM 734 CZ TYR A 49 43.156 13.047 4.248 1.00 0.00 C ATOM 735 OH TYR A 49 42.142 13.917 4.574 1.00 0.00 O ATOM 0 H TYR A 49 46.717 9.468 0.457 1.00 0.00 H new ATOM 0 HA TYR A 49 47.256 11.872 2.049 1.00 0.00 H new ATOM 0 HB2 TYR A 49 45.890 9.354 3.004 1.00 0.00 H new ATOM 0 HB3 TYR A 49 46.971 10.204 4.091 1.00 0.00 H new ATOM 0 HD1 TYR A 49 46.512 12.889 4.132 1.00 0.00 H new ATOM 0 HD2 TYR A 49 43.632 9.914 3.125 1.00 0.00 H new ATOM 0 HE1 TYR A 49 44.702 14.443 4.716 1.00 0.00 H new ATOM 0 HE2 TYR A 49 41.823 11.467 3.710 1.00 0.00 H new ATOM 0 HH TYR A 49 41.277 13.479 4.433 1.00 0.00 H new ATOM 745 N SER A 50 49.168 9.910 0.979 1.00 0.00 N ATOM 746 CA SER A 50 50.503 9.324 0.948 1.00 0.00 C ATOM 747 C SER A 50 51.588 10.395 1.037 1.00 0.00 C ATOM 748 O SER A 50 52.731 10.163 0.644 1.00 0.00 O ATOM 749 CB SER A 50 50.689 8.502 -0.330 1.00 0.00 C ATOM 750 OG SER A 50 49.506 8.499 -1.112 1.00 0.00 O ATOM 0 H SER A 50 48.761 10.086 0.060 1.00 0.00 H new ATOM 0 HA SER A 50 50.599 8.673 1.817 1.00 0.00 H new ATOM 0 HB2 SER A 50 51.513 8.913 -0.913 1.00 0.00 H new ATOM 0 HB3 SER A 50 50.960 7.478 -0.071 1.00 0.00 H new ATOM 0 HG SER A 50 48.837 7.920 -0.691 1.00 0.00 H new ATOM 756 N LYS A 51 51.227 11.566 1.554 1.00 0.00 N ATOM 757 CA LYS A 51 52.181 12.663 1.690 1.00 0.00 C ATOM 758 C LYS A 51 51.640 13.757 2.607 1.00 0.00 C ATOM 759 O LYS A 51 51.936 14.937 2.420 1.00 0.00 O ATOM 760 CB LYS A 51 52.512 13.251 0.317 1.00 0.00 C ATOM 761 CG LYS A 51 54.002 13.309 0.026 1.00 0.00 C ATOM 762 CD LYS A 51 54.350 12.551 -1.244 1.00 0.00 C ATOM 763 CE LYS A 51 55.422 13.271 -2.047 1.00 0.00 C ATOM 764 NZ LYS A 51 55.147 13.222 -3.511 1.00 0.00 N ATOM 0 H LYS A 51 50.286 11.780 1.884 1.00 0.00 H new ATOM 0 HA LYS A 51 53.090 12.261 2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 51 52.022 12.654 -0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 51 52.098 14.257 0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 51 54.315 14.349 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 51 54.555 12.888 0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 51 54.697 11.550 -0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 51 53.455 12.432 -1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 51 55.481 14.310 -1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 51 56.393 12.818 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 55.901 13.724 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 55.116 12.231 -3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 54.233 13.677 -3.708 1.00 0.00 H new ATOM 778 N HIS A 52 50.849 13.360 3.597 1.00 0.00 N ATOM 779 CA HIS A 52 50.273 14.312 4.539 1.00 0.00 C ATOM 780 C HIS A 52 50.889 14.144 5.924 1.00 0.00 C ATOM 781 O HIS A 52 50.489 13.201 6.638 1.00 0.00 O ATOM 782 CB HIS A 52 48.757 14.132 4.618 1.00 0.00 C ATOM 783 CG HIS A 52 48.038 15.337 5.142 1.00 0.00 C ATOM 784 ND1 HIS A 52 47.505 15.423 6.408 1.00 0.00 N ATOM 785 CD2 HIS A 52 47.767 16.523 4.540 1.00 0.00 C ATOM 786 CE1 HIS A 52 46.939 16.632 6.535 1.00 0.00 C ATOM 787 NE2 HIS A 52 47.071 17.338 5.429 1.00 0.00 N ATOM 788 OXT HIS A 52 51.766 14.957 6.283 1.00 0.00 O ATOM 0 H HIS A 52 50.592 12.388 3.768 1.00 0.00 H new ATOM 0 HA HIS A 52 50.493 15.318 4.181 1.00 0.00 H new ATOM 0 HB2 HIS A 52 48.375 13.894 3.625 1.00 0.00 H new ATOM 0 HB3 HIS A 52 48.533 13.279 5.258 1.00 0.00 H new ATOM 0 HD2 HIS A 52 48.047 16.792 3.532 1.00 0.00 H new ATOM 0 HE1 HIS A 52 46.440 16.982 7.427 1.00 0.00 H new ATOM 0 HE2 HIS A 52 46.733 18.285 5.260 1.00 0.00 H new TER 796 HIS A 52