USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 9:sc= 0.883 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0303 K(o=-0.03,f=-0.71) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= -0.045 USER MOD Single : A 19 LYS NZ :NH3+ -112:sc= 0.0202 (180deg=-0.0915) USER MOD Single : A 22 MET CE :methyl -159:sc= 0 (180deg=-0.676) USER MOD Single : A 23 ASN : amide:sc= -2.84 K(o=-2.8,f=-5.9!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= -0.149 (180deg=-1.47!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -30:sc= -0.736 USER MOD Single : A 37 THR OG1 : rot 51:sc= 0.278 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 177:sc= -0.108 (180deg=-0.134) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= -0.0329 (180deg=-0.511) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 79:sc= 0.505 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -0.135 (180deg=-0.698) USER MOD Single : A 59 MET CE :methyl 177:sc= -2.07 (180deg=-2.3) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.3) USER MOD Single : A 66 MET CE :methyl 151:sc= -1.37 (180deg=-4.8!) USER MOD Single : A 67 TYR OH : rot -82:sc= 0.656 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.761 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -106:sc= -0.433 (180deg=-1.88!) USER MOD Single : A 82 ASN : amide:sc=-0.00184 K(o=-0.0018,f=-0.73) USER MOD Single : A 85 CYS SG : rot 180:sc= -0.246 USER MOD Single : A 87 LYS NZ :NH3+ -157:sc= -0.0809 (180deg=-0.453) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.167 -35.847 -1.790 1.00 0.00 N ATOM 2 CA GLY A 1 -12.775 -35.230 -0.537 1.00 0.00 C ATOM 3 C GLY A 1 -12.103 -36.208 0.406 1.00 0.00 C ATOM 4 O GLY A 1 -11.040 -36.747 0.098 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.622 -35.137 -2.399 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.325 -36.226 -2.269 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.836 -36.621 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.096 -34.402 -0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.656 -34.809 -0.052 1.00 0.00 H new ATOM 8 N SER A 2 -12.724 -36.437 1.559 1.00 0.00 N ATOM 9 CA SER A 2 -12.176 -37.353 2.553 1.00 0.00 C ATOM 10 C SER A 2 -10.806 -36.882 3.030 1.00 0.00 C ATOM 11 O SER A 2 -9.854 -37.659 3.084 1.00 0.00 O ATOM 12 CB SER A 2 -12.068 -38.765 1.971 1.00 0.00 C ATOM 13 OG SER A 2 -13.152 -39.043 1.102 1.00 0.00 O ATOM 0 H SER A 2 -13.606 -36.001 1.828 1.00 0.00 H new ATOM 0 HA SER A 2 -12.853 -37.370 3.407 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.128 -38.867 1.429 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.050 -39.495 2.780 1.00 0.00 H new ATOM 0 HG SER A 2 -13.059 -39.950 0.742 1.00 0.00 H new ATOM 19 N SER A 3 -10.716 -35.601 3.376 1.00 0.00 N ATOM 20 CA SER A 3 -9.462 -35.023 3.845 1.00 0.00 C ATOM 21 C SER A 3 -9.666 -34.283 5.164 1.00 0.00 C ATOM 22 O SER A 3 -10.458 -33.345 5.247 1.00 0.00 O ATOM 23 CB SER A 3 -8.891 -34.069 2.795 1.00 0.00 C ATOM 24 OG SER A 3 -9.600 -32.842 2.781 1.00 0.00 O ATOM 0 H SER A 3 -11.496 -34.945 3.340 1.00 0.00 H new ATOM 0 HA SER A 3 -8.754 -35.836 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.838 -33.882 3.004 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.943 -34.534 1.810 1.00 0.00 H new ATOM 0 HG SER A 3 -10.215 -32.811 3.543 1.00 0.00 H new ATOM 30 N GLY A 4 -8.943 -34.713 6.194 1.00 0.00 N ATOM 31 CA GLY A 4 -9.058 -34.081 7.496 1.00 0.00 C ATOM 32 C GLY A 4 -7.708 -33.797 8.123 1.00 0.00 C ATOM 33 O GLY A 4 -6.671 -34.175 7.579 1.00 0.00 O ATOM 0 H GLY A 4 -8.280 -35.487 6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.612 -33.148 7.396 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.635 -34.725 8.159 1.00 0.00 H new ATOM 37 N SER A 5 -7.720 -33.128 9.272 1.00 0.00 N ATOM 38 CA SER A 5 -6.487 -32.788 9.972 1.00 0.00 C ATOM 39 C SER A 5 -6.676 -32.883 11.483 1.00 0.00 C ATOM 40 O SER A 5 -7.388 -32.078 12.082 1.00 0.00 O ATOM 41 CB SER A 5 -6.031 -31.379 9.591 1.00 0.00 C ATOM 42 OG SER A 5 -5.847 -31.263 8.190 1.00 0.00 O ATOM 0 H SER A 5 -8.570 -32.811 9.738 1.00 0.00 H new ATOM 0 HA SER A 5 -5.720 -33.503 9.674 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.771 -30.651 9.925 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.098 -31.144 10.104 1.00 0.00 H new ATOM 0 HG SER A 5 -5.557 -30.352 7.972 1.00 0.00 H new ATOM 48 N SER A 6 -6.032 -33.873 12.092 1.00 0.00 N ATOM 49 CA SER A 6 -6.131 -34.077 13.533 1.00 0.00 C ATOM 50 C SER A 6 -4.763 -34.384 14.134 1.00 0.00 C ATOM 51 O SER A 6 -3.958 -35.100 13.539 1.00 0.00 O ATOM 52 CB SER A 6 -7.104 -35.217 13.842 1.00 0.00 C ATOM 53 OG SER A 6 -7.496 -35.197 15.203 1.00 0.00 O ATOM 0 H SER A 6 -5.436 -34.546 11.611 1.00 0.00 H new ATOM 0 HA SER A 6 -6.506 -33.157 13.980 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.984 -35.131 13.205 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.635 -36.173 13.609 1.00 0.00 H new ATOM 0 HG SER A 6 -8.119 -35.934 15.375 1.00 0.00 H new ATOM 59 N GLY A 7 -4.507 -33.836 15.318 1.00 0.00 N ATOM 60 CA GLY A 7 -3.236 -34.062 15.980 1.00 0.00 C ATOM 61 C GLY A 7 -2.594 -32.774 16.458 1.00 0.00 C ATOM 62 O GLY A 7 -1.384 -32.592 16.332 1.00 0.00 O ATOM 0 H GLY A 7 -5.157 -33.240 15.830 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.386 -34.727 16.831 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.558 -34.570 15.294 1.00 0.00 H new ATOM 66 N GLY A 8 -3.408 -31.876 17.005 1.00 0.00 N ATOM 67 CA GLY A 8 -2.894 -30.609 17.493 1.00 0.00 C ATOM 68 C GLY A 8 -2.347 -30.709 18.903 1.00 0.00 C ATOM 69 O GLY A 8 -3.083 -31.007 19.844 1.00 0.00 O ATOM 0 H GLY A 8 -4.414 -32.003 17.119 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.107 -30.259 16.825 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.689 -29.864 17.467 1.00 0.00 H new ATOM 73 N THR A 9 -1.049 -30.461 19.051 1.00 0.00 N ATOM 74 CA THR A 9 -0.403 -30.528 20.356 1.00 0.00 C ATOM 75 C THR A 9 0.603 -29.395 20.529 1.00 0.00 C ATOM 76 O THR A 9 1.435 -29.151 19.656 1.00 0.00 O ATOM 77 CB THR A 9 0.318 -31.874 20.558 1.00 0.00 C ATOM 78 OG1 THR A 9 1.130 -31.823 21.736 1.00 0.00 O ATOM 79 CG2 THR A 9 1.184 -32.210 19.353 1.00 0.00 C ATOM 0 H THR A 9 -0.425 -30.212 18.283 1.00 0.00 H new ATOM 0 HA THR A 9 -1.190 -30.430 21.104 1.00 0.00 H new ATOM 0 HB THR A 9 -0.437 -32.652 20.671 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.584 -32.683 21.858 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.683 -33.165 19.519 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.559 -32.277 18.463 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.932 -31.429 19.213 1.00 0.00 H new ATOM 87 N VAL A 10 0.521 -28.706 21.663 1.00 0.00 N ATOM 88 CA VAL A 10 1.425 -27.600 21.952 1.00 0.00 C ATOM 89 C VAL A 10 2.339 -27.930 23.127 1.00 0.00 C ATOM 90 O VAL A 10 1.882 -28.396 24.171 1.00 0.00 O ATOM 91 CB VAL A 10 0.648 -26.308 22.268 1.00 0.00 C ATOM 92 CG1 VAL A 10 1.607 -25.143 22.468 1.00 0.00 C ATOM 93 CG2 VAL A 10 -0.350 -26.003 21.161 1.00 0.00 C ATOM 0 H VAL A 10 -0.162 -28.895 22.396 1.00 0.00 H new ATOM 0 HA VAL A 10 2.029 -27.443 21.058 1.00 0.00 H new ATOM 0 HB VAL A 10 0.094 -26.455 23.195 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.040 -24.239 22.690 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.279 -25.363 23.298 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.190 -24.991 21.559 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.890 -25.087 21.400 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.181 -25.875 20.218 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.057 -26.828 21.071 1.00 0.00 H new ATOM 103 N SER A 11 3.633 -27.684 22.950 1.00 0.00 N ATOM 104 CA SER A 11 4.614 -27.959 23.994 1.00 0.00 C ATOM 105 C SER A 11 5.398 -26.699 24.347 1.00 0.00 C ATOM 106 O SER A 11 5.475 -26.307 25.511 1.00 0.00 O ATOM 107 CB SER A 11 5.574 -29.062 23.545 1.00 0.00 C ATOM 108 OG SER A 11 4.882 -30.277 23.315 1.00 0.00 O ATOM 0 H SER A 11 4.027 -27.295 22.093 1.00 0.00 H new ATOM 0 HA SER A 11 4.078 -28.294 24.882 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.087 -28.754 22.634 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.340 -29.214 24.306 1.00 0.00 H new ATOM 0 HG SER A 11 5.517 -30.966 23.027 1.00 0.00 H new ATOM 114 N ALA A 12 5.980 -26.068 23.332 1.00 0.00 N ATOM 115 CA ALA A 12 6.757 -24.851 23.534 1.00 0.00 C ATOM 116 C ALA A 12 6.041 -23.639 22.948 1.00 0.00 C ATOM 117 O ALA A 12 5.301 -23.754 21.971 1.00 0.00 O ATOM 118 CB ALA A 12 8.140 -25.000 22.915 1.00 0.00 C ATOM 0 H ALA A 12 5.928 -26.379 22.362 1.00 0.00 H new ATOM 0 HA ALA A 12 6.866 -24.692 24.607 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.710 -24.084 23.073 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.660 -25.836 23.383 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.042 -25.186 21.846 1.00 0.00 H new ATOM 124 N THR A 13 6.266 -22.476 23.552 1.00 0.00 N ATOM 125 CA THR A 13 5.640 -21.243 23.092 1.00 0.00 C ATOM 126 C THR A 13 6.640 -20.363 22.351 1.00 0.00 C ATOM 127 O THR A 13 7.549 -19.794 22.956 1.00 0.00 O ATOM 128 CB THR A 13 5.042 -20.444 24.265 1.00 0.00 C ATOM 129 OG1 THR A 13 4.432 -21.337 25.205 1.00 0.00 O ATOM 130 CG2 THR A 13 4.011 -19.442 23.768 1.00 0.00 C ATOM 0 H THR A 13 6.877 -22.363 24.361 1.00 0.00 H new ATOM 0 HA THR A 13 4.838 -21.531 22.412 1.00 0.00 H new ATOM 0 HB THR A 13 5.849 -19.898 24.753 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.056 -20.822 25.949 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.603 -18.890 24.614 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.484 -18.746 23.075 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.206 -19.971 23.258 1.00 0.00 H new ATOM 138 N SER A 14 6.467 -20.253 21.038 1.00 0.00 N ATOM 139 CA SER A 14 7.356 -19.444 20.213 1.00 0.00 C ATOM 140 C SER A 14 6.923 -19.478 18.751 1.00 0.00 C ATOM 141 O SER A 14 7.585 -20.063 17.894 1.00 0.00 O ATOM 142 CB SER A 14 8.798 -19.942 20.341 1.00 0.00 C ATOM 143 OG SER A 14 8.856 -21.356 20.283 1.00 0.00 O ATOM 0 H SER A 14 5.718 -20.715 20.522 1.00 0.00 H new ATOM 0 HA SER A 14 7.301 -18.414 20.566 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.405 -19.517 19.542 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.223 -19.596 21.283 1.00 0.00 H new ATOM 0 HG SER A 14 9.788 -21.649 20.365 1.00 0.00 H new ATOM 149 N PRO A 15 5.782 -18.835 18.458 1.00 0.00 N ATOM 150 CA PRO A 15 5.234 -18.776 17.100 1.00 0.00 C ATOM 151 C PRO A 15 6.076 -17.908 16.172 1.00 0.00 C ATOM 152 O PRO A 15 6.368 -16.754 16.481 1.00 0.00 O ATOM 153 CB PRO A 15 3.850 -18.154 17.303 1.00 0.00 C ATOM 154 CG PRO A 15 3.970 -17.366 18.561 1.00 0.00 C ATOM 155 CD PRO A 15 4.941 -18.116 19.430 1.00 0.00 C ATOM 0 HA PRO A 15 5.211 -19.758 16.627 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.575 -17.518 16.462 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.080 -18.921 17.388 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.328 -16.357 18.357 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.002 -17.267 19.053 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.531 -17.440 20.050 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.430 -18.803 20.105 1.00 0.00 H new ATOM 163 N ASN A 16 6.464 -18.472 15.032 1.00 0.00 N ATOM 164 CA ASN A 16 7.274 -17.748 14.058 1.00 0.00 C ATOM 165 C ASN A 16 6.621 -17.777 12.680 1.00 0.00 C ATOM 166 O ASN A 16 6.638 -18.799 11.993 1.00 0.00 O ATOM 167 CB ASN A 16 8.678 -18.351 13.983 1.00 0.00 C ATOM 168 CG ASN A 16 9.681 -17.404 13.353 1.00 0.00 C ATOM 169 OD1 ASN A 16 9.660 -16.200 13.608 1.00 0.00 O ATOM 170 ND2 ASN A 16 10.565 -17.946 12.523 1.00 0.00 N ATOM 0 H ASN A 16 6.231 -19.427 14.760 1.00 0.00 H new ATOM 0 HA ASN A 16 7.349 -16.710 14.383 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.012 -18.614 14.987 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.643 -19.275 13.406 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.264 -17.359 12.068 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.545 -18.949 12.341 1.00 0.00 H new ATOM 177 N LYS A 17 6.047 -16.647 12.280 1.00 0.00 N ATOM 178 CA LYS A 17 5.390 -16.540 10.983 1.00 0.00 C ATOM 179 C LYS A 17 6.333 -15.945 9.942 1.00 0.00 C ATOM 180 O LYS A 17 7.355 -15.349 10.286 1.00 0.00 O ATOM 181 CB LYS A 17 4.129 -15.679 11.096 1.00 0.00 C ATOM 182 CG LYS A 17 2.915 -16.442 11.595 1.00 0.00 C ATOM 183 CD LYS A 17 2.995 -16.702 13.090 1.00 0.00 C ATOM 184 CE LYS A 17 1.662 -16.436 13.774 1.00 0.00 C ATOM 185 NZ LYS A 17 0.914 -17.697 14.038 1.00 0.00 N ATOM 0 H LYS A 17 6.024 -15.792 12.836 1.00 0.00 H new ATOM 0 HA LYS A 17 5.110 -17.543 10.662 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.327 -14.846 11.771 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.903 -15.251 10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.011 -15.876 11.371 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.837 -17.390 11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.295 -17.735 13.265 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.764 -16.067 13.530 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.834 -15.912 14.714 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.057 -15.779 13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.012 -17.474 14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.727 -18.185 13.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.480 -18.314 14.655 1.00 0.00 H new ATOM 199 N CYS A 18 5.984 -16.109 8.671 1.00 0.00 N ATOM 200 CA CYS A 18 6.799 -15.586 7.581 1.00 0.00 C ATOM 201 C CYS A 18 6.353 -14.181 7.192 1.00 0.00 C ATOM 202 O CYS A 18 7.160 -13.358 6.760 1.00 0.00 O ATOM 203 CB CYS A 18 6.720 -16.514 6.367 1.00 0.00 C ATOM 204 SG CYS A 18 5.050 -16.721 5.705 1.00 0.00 S ATOM 0 H CYS A 18 5.142 -16.600 8.370 1.00 0.00 H new ATOM 0 HA CYS A 18 7.832 -15.536 7.925 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.365 -16.122 5.581 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.113 -17.492 6.644 1.00 0.00 H new ATOM 0 HG CYS A 18 5.085 -17.520 4.680 1.00 0.00 H new ATOM 210 N LYS A 19 5.061 -13.912 7.347 1.00 0.00 N ATOM 211 CA LYS A 19 4.504 -12.607 7.013 1.00 0.00 C ATOM 212 C LYS A 19 3.597 -12.100 8.129 1.00 0.00 C ATOM 213 O LYS A 19 2.967 -12.887 8.835 1.00 0.00 O ATOM 214 CB LYS A 19 3.722 -12.684 5.700 1.00 0.00 C ATOM 215 CG LYS A 19 4.538 -13.217 4.536 1.00 0.00 C ATOM 216 CD LYS A 19 5.215 -12.093 3.769 1.00 0.00 C ATOM 217 CE LYS A 19 6.214 -12.633 2.756 1.00 0.00 C ATOM 218 NZ LYS A 19 7.436 -13.172 3.415 1.00 0.00 N ATOM 0 H LYS A 19 4.379 -14.582 7.703 1.00 0.00 H new ATOM 0 HA LYS A 19 5.331 -11.907 6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.850 -13.322 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.352 -11.690 5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.292 -13.911 4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.890 -13.779 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.461 -11.496 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.726 -11.430 4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.743 -13.419 2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.495 -11.839 2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.249 -12.565 3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.295 -13.191 4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.618 -14.137 3.073 1.00 0.00 H new ATOM 232 N ARG A 20 3.534 -10.781 8.282 1.00 0.00 N ATOM 233 CA ARG A 20 2.703 -10.170 9.312 1.00 0.00 C ATOM 234 C ARG A 20 1.540 -9.403 8.689 1.00 0.00 C ATOM 235 O ARG A 20 1.560 -9.047 7.511 1.00 0.00 O ATOM 236 CB ARG A 20 3.540 -9.230 10.181 1.00 0.00 C ATOM 237 CG ARG A 20 3.915 -9.820 11.531 1.00 0.00 C ATOM 238 CD ARG A 20 4.736 -11.090 11.375 1.00 0.00 C ATOM 239 NE ARG A 20 4.119 -12.228 12.052 1.00 0.00 N ATOM 240 CZ ARG A 20 4.149 -12.404 13.368 1.00 0.00 C ATOM 241 NH1 ARG A 20 4.761 -11.522 14.145 1.00 0.00 N ATOM 242 NH2 ARG A 20 3.564 -13.465 13.910 1.00 0.00 N ATOM 0 H ARG A 20 4.049 -10.115 7.706 1.00 0.00 H new ATOM 0 HA ARG A 20 2.298 -10.967 9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.451 -8.967 9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.985 -8.305 10.340 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.482 -9.087 12.105 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.010 -10.038 12.098 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.853 -11.318 10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.736 -10.927 11.778 1.00 0.00 H new ATOM 0 HE ARG A 20 3.639 -12.925 11.483 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.211 -10.705 13.733 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.782 -11.660 15.155 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.091 -14.146 13.316 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.587 -13.600 14.921 1.00 0.00 H new ATOM 256 N PRO A 21 0.502 -9.143 9.497 1.00 0.00 N ATOM 257 CA PRO A 21 -0.689 -8.417 9.046 1.00 0.00 C ATOM 258 C PRO A 21 -0.402 -6.943 8.779 1.00 0.00 C ATOM 259 O PRO A 21 -0.197 -6.163 9.708 1.00 0.00 O ATOM 260 CB PRO A 21 -1.661 -8.568 10.219 1.00 0.00 C ATOM 261 CG PRO A 21 -0.790 -8.781 11.408 1.00 0.00 C ATOM 262 CD PRO A 21 0.410 -9.538 10.912 1.00 0.00 C ATOM 0 HA PRO A 21 -1.072 -8.808 8.103 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.281 -7.679 10.336 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.337 -9.410 10.067 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.495 -7.830 11.851 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.315 -9.344 12.180 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.311 -9.269 11.464 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.279 -10.615 11.021 1.00 0.00 H new ATOM 270 N MET A 22 -0.390 -6.569 7.504 1.00 0.00 N ATOM 271 CA MET A 22 -0.130 -5.188 7.115 1.00 0.00 C ATOM 272 C MET A 22 -1.288 -4.282 7.521 1.00 0.00 C ATOM 273 O MET A 22 -2.360 -4.322 6.918 1.00 0.00 O ATOM 274 CB MET A 22 0.101 -5.095 5.606 1.00 0.00 C ATOM 275 CG MET A 22 -1.052 -5.644 4.780 1.00 0.00 C ATOM 276 SD MET A 22 -0.567 -6.041 3.089 1.00 0.00 S ATOM 277 CE MET A 22 -0.062 -4.428 2.494 1.00 0.00 C ATOM 0 H MET A 22 -0.557 -7.203 6.723 1.00 0.00 H new ATOM 0 HA MET A 22 0.769 -4.854 7.633 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.267 -4.052 5.336 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.011 -5.639 5.352 1.00 0.00 H new ATOM 0 HG2 MET A 22 -1.444 -6.540 5.261 1.00 0.00 H new ATOM 0 HG3 MET A 22 -1.860 -4.913 4.760 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.093 -4.416 1.405 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.739 -3.668 2.884 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.953 -4.217 2.831 1.00 0.00 H new ATOM 287 N ASN A 23 -1.064 -3.466 8.546 1.00 0.00 N ATOM 288 CA ASN A 23 -2.090 -2.551 9.033 1.00 0.00 C ATOM 289 C ASN A 23 -2.588 -1.646 7.910 1.00 0.00 C ATOM 290 O ASN A 23 -1.961 -1.544 6.856 1.00 0.00 O ATOM 291 CB ASN A 23 -1.542 -1.702 10.182 1.00 0.00 C ATOM 292 CG ASN A 23 -0.121 -1.237 9.931 1.00 0.00 C ATOM 293 OD1 ASN A 23 0.104 -0.217 9.279 1.00 0.00 O ATOM 294 ND2 ASN A 23 0.847 -1.985 10.448 1.00 0.00 N ATOM 0 H ASN A 23 -0.181 -3.420 9.055 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.929 -3.145 9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.185 -0.834 10.327 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.574 -2.281 11.105 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.823 -1.722 10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.614 -2.823 10.982 1.00 0.00 H new ATOM 301 N ALA A 24 -3.720 -0.990 8.144 1.00 0.00 N ATOM 302 CA ALA A 24 -4.301 -0.092 7.155 1.00 0.00 C ATOM 303 C ALA A 24 -3.295 0.968 6.717 1.00 0.00 C ATOM 304 O ALA A 24 -3.182 1.278 5.531 1.00 0.00 O ATOM 305 CB ALA A 24 -5.555 0.567 7.711 1.00 0.00 C ATOM 0 H ALA A 24 -4.253 -1.064 9.011 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.572 -0.683 6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.978 1.235 6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.286 -0.200 7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.300 1.138 8.604 1.00 0.00 H new ATOM 311 N PHE A 25 -2.567 1.520 7.682 1.00 0.00 N ATOM 312 CA PHE A 25 -1.571 2.546 7.396 1.00 0.00 C ATOM 313 C PHE A 25 -0.616 2.086 6.298 1.00 0.00 C ATOM 314 O PHE A 25 -0.309 2.838 5.374 1.00 0.00 O ATOM 315 CB PHE A 25 -0.784 2.889 8.662 1.00 0.00 C ATOM 316 CG PHE A 25 0.154 4.050 8.489 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.335 5.317 8.213 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.523 3.874 8.602 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.525 6.386 8.052 1.00 0.00 C ATOM 320 CE2 PHE A 25 2.389 4.940 8.442 1.00 0.00 C ATOM 321 CZ PHE A 25 1.889 6.198 8.168 1.00 0.00 C ATOM 0 H PHE A 25 -2.648 1.274 8.669 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.093 3.437 7.049 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.485 3.115 9.466 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.213 2.014 8.973 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.400 5.470 8.123 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.919 2.893 8.818 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.131 7.368 7.836 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.455 4.789 8.531 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.563 7.033 8.045 1.00 0.00 H new ATOM 331 N MET A 26 -0.150 0.846 6.409 1.00 0.00 N ATOM 332 CA MET A 26 0.770 0.286 5.426 1.00 0.00 C ATOM 333 C MET A 26 0.223 0.452 4.012 1.00 0.00 C ATOM 334 O MET A 26 0.944 0.859 3.100 1.00 0.00 O ATOM 335 CB MET A 26 1.021 -1.195 5.718 1.00 0.00 C ATOM 336 CG MET A 26 1.802 -1.439 6.999 1.00 0.00 C ATOM 337 SD MET A 26 2.962 -2.811 6.855 1.00 0.00 S ATOM 338 CE MET A 26 4.384 -2.144 7.717 1.00 0.00 C ATOM 0 H MET A 26 -0.394 0.211 7.169 1.00 0.00 H new ATOM 0 HA MET A 26 1.713 0.828 5.497 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.063 -1.711 5.782 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.565 -1.635 4.882 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.347 -0.534 7.265 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.105 -1.642 7.812 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.189 -2.879 7.713 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.719 -1.235 7.217 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.110 -1.912 8.746 1.00 0.00 H new ATOM 348 N LEU A 27 -1.055 0.135 3.837 1.00 0.00 N ATOM 349 CA LEU A 27 -1.700 0.249 2.533 1.00 0.00 C ATOM 350 C LEU A 27 -1.796 1.708 2.099 1.00 0.00 C ATOM 351 O LEU A 27 -1.854 2.010 0.907 1.00 0.00 O ATOM 352 CB LEU A 27 -3.095 -0.376 2.575 1.00 0.00 C ATOM 353 CG LEU A 27 -3.565 -1.057 1.289 1.00 0.00 C ATOM 354 CD1 LEU A 27 -2.627 -2.193 0.914 1.00 0.00 C ATOM 355 CD2 LEU A 27 -4.989 -1.569 1.446 1.00 0.00 C ATOM 0 H LEU A 27 -1.665 -0.203 4.581 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.091 -0.288 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.118 -1.110 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.813 0.403 2.833 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.552 -0.321 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.977 -2.666 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.623 -1.799 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.608 -2.929 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.307 -2.051 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.028 -2.290 2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.654 -0.734 1.667 1.00 0.00 H new ATOM 367 N PHE A 28 -1.812 2.610 3.075 1.00 0.00 N ATOM 368 CA PHE A 28 -1.900 4.039 2.794 1.00 0.00 C ATOM 369 C PHE A 28 -0.540 4.598 2.387 1.00 0.00 C ATOM 370 O PHE A 28 -0.375 5.116 1.283 1.00 0.00 O ATOM 371 CB PHE A 28 -2.426 4.789 4.019 1.00 0.00 C ATOM 372 CG PHE A 28 -2.268 6.280 3.923 1.00 0.00 C ATOM 373 CD1 PHE A 28 -3.263 7.059 3.354 1.00 0.00 C ATOM 374 CD2 PHE A 28 -1.126 6.901 4.401 1.00 0.00 C ATOM 375 CE1 PHE A 28 -3.120 8.431 3.263 1.00 0.00 C ATOM 376 CE2 PHE A 28 -0.978 8.273 4.313 1.00 0.00 C ATOM 377 CZ PHE A 28 -1.976 9.039 3.744 1.00 0.00 C ATOM 0 H PHE A 28 -1.765 2.377 4.067 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.594 4.179 1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.481 4.552 4.155 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.902 4.433 4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.160 6.589 2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.342 6.307 4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.902 9.027 2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.082 8.745 4.689 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.863 10.111 3.675 1.00 0.00 H new ATOM 387 N ALA A 29 0.432 4.489 3.287 1.00 0.00 N ATOM 388 CA ALA A 29 1.778 4.982 3.022 1.00 0.00 C ATOM 389 C ALA A 29 2.359 4.343 1.765 1.00 0.00 C ATOM 390 O ALA A 29 3.235 4.912 1.114 1.00 0.00 O ATOM 391 CB ALA A 29 2.681 4.718 4.217 1.00 0.00 C ATOM 0 H ALA A 29 0.312 4.063 4.206 1.00 0.00 H new ATOM 0 HA ALA A 29 1.719 6.058 2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.683 5.091 4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.282 5.227 5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.726 3.646 4.409 1.00 0.00 H new ATOM 397 N LYS A 30 1.866 3.155 1.429 1.00 0.00 N ATOM 398 CA LYS A 30 2.335 2.437 0.250 1.00 0.00 C ATOM 399 C LYS A 30 1.672 2.975 -1.014 1.00 0.00 C ATOM 400 O LYS A 30 2.350 3.379 -1.959 1.00 0.00 O ATOM 401 CB LYS A 30 2.049 0.940 0.392 1.00 0.00 C ATOM 402 CG LYS A 30 2.573 0.109 -0.766 1.00 0.00 C ATOM 403 CD LYS A 30 2.012 -1.303 -0.738 1.00 0.00 C ATOM 404 CE LYS A 30 0.588 -1.346 -1.271 1.00 0.00 C ATOM 405 NZ LYS A 30 0.553 -1.370 -2.760 1.00 0.00 N ATOM 0 H LYS A 30 1.141 2.669 1.957 1.00 0.00 H new ATOM 0 HA LYS A 30 3.411 2.589 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.496 0.579 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.973 0.791 0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.308 0.588 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.661 0.070 -0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.645 -1.959 -1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.031 -1.683 0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.081 -2.229 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.038 -0.477 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.435 -1.399 -3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.014 -0.515 -3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.055 -2.213 -3.106 1.00 0.00 H new ATOM 419 N LYS A 31 0.344 2.979 -1.024 1.00 0.00 N ATOM 420 CA LYS A 31 -0.412 3.470 -2.170 1.00 0.00 C ATOM 421 C LYS A 31 -0.144 4.953 -2.404 1.00 0.00 C ATOM 422 O LYS A 31 -0.292 5.452 -3.520 1.00 0.00 O ATOM 423 CB LYS A 31 -1.910 3.239 -1.957 1.00 0.00 C ATOM 424 CG LYS A 31 -2.749 3.509 -3.194 1.00 0.00 C ATOM 425 CD LYS A 31 -4.221 3.226 -2.941 1.00 0.00 C ATOM 426 CE LYS A 31 -4.551 1.758 -3.161 1.00 0.00 C ATOM 427 NZ LYS A 31 -4.322 0.947 -1.933 1.00 0.00 N ATOM 0 H LYS A 31 -0.232 2.647 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.087 2.917 -3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.069 2.209 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.256 3.880 -1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.624 4.548 -3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.395 2.889 -4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.477 3.509 -1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.830 3.840 -3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.592 1.662 -3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.940 1.366 -3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.026 0.183 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.367 0.537 -1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.413 1.554 -1.094 1.00 0.00 H new ATOM 441 N TYR A 32 0.253 5.651 -1.346 1.00 0.00 N ATOM 442 CA TYR A 32 0.541 7.078 -1.437 1.00 0.00 C ATOM 443 C TYR A 32 2.039 7.340 -1.320 1.00 0.00 C ATOM 444 O TYR A 32 2.474 8.486 -1.207 1.00 0.00 O ATOM 445 CB TYR A 32 -0.208 7.841 -0.343 1.00 0.00 C ATOM 446 CG TYR A 32 -1.679 8.031 -0.636 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.518 6.939 -0.819 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.230 9.304 -0.729 1.00 0.00 C ATOM 449 CE1 TYR A 32 -3.863 7.109 -1.087 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.574 9.482 -0.996 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.386 8.382 -1.174 1.00 0.00 C ATOM 452 OH TYR A 32 -5.725 8.555 -1.440 1.00 0.00 O ATOM 0 H TYR A 32 0.383 5.253 -0.416 1.00 0.00 H new ATOM 0 HA TYR A 32 0.204 7.429 -2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.100 7.306 0.600 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.257 8.818 -0.210 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.112 5.940 -0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.597 10.168 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.501 6.249 -1.228 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.986 10.478 -1.065 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.932 9.512 -1.467 1.00 0.00 H new ATOM 462 N ARG A 33 2.824 6.268 -1.349 1.00 0.00 N ATOM 463 CA ARG A 33 4.274 6.380 -1.247 1.00 0.00 C ATOM 464 C ARG A 33 4.838 7.212 -2.395 1.00 0.00 C ATOM 465 O ARG A 33 5.400 8.286 -2.179 1.00 0.00 O ATOM 466 CB ARG A 33 4.916 4.991 -1.246 1.00 0.00 C ATOM 467 CG ARG A 33 6.150 4.890 -0.365 1.00 0.00 C ATOM 468 CD ARG A 33 7.428 4.972 -1.185 1.00 0.00 C ATOM 469 NE ARG A 33 7.504 3.911 -2.187 1.00 0.00 N ATOM 470 CZ ARG A 33 7.876 2.666 -1.912 1.00 0.00 C ATOM 471 NH1 ARG A 33 8.203 2.326 -0.673 1.00 0.00 N ATOM 472 NH2 ARG A 33 7.920 1.757 -2.878 1.00 0.00 N ATOM 0 H ARG A 33 2.480 5.312 -1.442 1.00 0.00 H new ATOM 0 HA ARG A 33 4.509 6.882 -0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.180 4.260 -0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.187 4.725 -2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.138 5.692 0.373 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.129 3.950 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.480 5.942 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.290 4.906 -0.521 1.00 0.00 H new ATOM 0 HE ARG A 33 7.258 4.139 -3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.169 3.021 0.072 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.488 1.369 -0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.668 2.014 -3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.206 0.801 -2.666 1.00 0.00 H new ATOM 486 N VAL A 34 4.684 6.709 -3.615 1.00 0.00 N ATOM 487 CA VAL A 34 5.176 7.405 -4.797 1.00 0.00 C ATOM 488 C VAL A 34 4.442 8.725 -5.003 1.00 0.00 C ATOM 489 O VAL A 34 5.008 9.687 -5.521 1.00 0.00 O ATOM 490 CB VAL A 34 5.022 6.541 -6.063 1.00 0.00 C ATOM 491 CG1 VAL A 34 3.551 6.304 -6.371 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.723 7.196 -7.244 1.00 0.00 C ATOM 0 H VAL A 34 4.222 5.821 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 34 6.234 7.604 -4.629 1.00 0.00 H new ATOM 0 HB VAL A 34 5.492 5.574 -5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.461 5.692 -7.268 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.082 5.789 -5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.054 7.261 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.604 6.572 -8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.284 8.176 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.784 7.310 -7.020 1.00 0.00 H new ATOM 502 N GLU A 35 3.178 8.763 -4.593 1.00 0.00 N ATOM 503 CA GLU A 35 2.366 9.967 -4.733 1.00 0.00 C ATOM 504 C GLU A 35 3.082 11.178 -4.142 1.00 0.00 C ATOM 505 O GLU A 35 2.985 12.287 -4.667 1.00 0.00 O ATOM 506 CB GLU A 35 1.011 9.777 -4.049 1.00 0.00 C ATOM 507 CG GLU A 35 0.160 8.686 -4.676 1.00 0.00 C ATOM 508 CD GLU A 35 0.182 8.727 -6.192 1.00 0.00 C ATOM 509 OE1 GLU A 35 -0.345 9.702 -6.766 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.727 7.784 -6.803 1.00 0.00 O ATOM 0 H GLU A 35 2.694 7.975 -4.162 1.00 0.00 H new ATOM 0 HA GLU A 35 2.206 10.145 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.174 9.540 -2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.462 10.718 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.516 7.713 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.868 8.788 -4.328 1.00 0.00 H new ATOM 517 N TYR A 36 3.800 10.956 -3.047 1.00 0.00 N ATOM 518 CA TYR A 36 4.530 12.029 -2.381 1.00 0.00 C ATOM 519 C TYR A 36 5.981 12.074 -2.850 1.00 0.00 C ATOM 520 O TYR A 36 6.624 13.124 -2.822 1.00 0.00 O ATOM 521 CB TYR A 36 4.478 11.845 -0.864 1.00 0.00 C ATOM 522 CG TYR A 36 3.159 12.255 -0.249 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.971 11.648 -0.636 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.101 13.249 0.721 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.764 12.020 -0.077 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.899 13.626 1.286 1.00 0.00 C ATOM 527 CZ TYR A 36 0.733 13.009 0.884 1.00 0.00 C ATOM 528 OH TYR A 36 -0.468 13.382 1.444 1.00 0.00 O ATOM 0 H TYR A 36 3.892 10.043 -2.601 1.00 0.00 H new ATOM 0 HA TYR A 36 4.054 12.974 -2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.670 10.799 -0.627 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.279 12.428 -0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.991 10.872 -1.387 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.012 13.735 1.038 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.151 11.539 -0.391 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.872 14.400 2.039 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.187 13.253 0.791 1.00 0.00 H new ATOM 538 N THR A 37 6.491 10.925 -3.284 1.00 0.00 N ATOM 539 CA THR A 37 7.866 10.830 -3.759 1.00 0.00 C ATOM 540 C THR A 37 8.094 11.736 -4.964 1.00 0.00 C ATOM 541 O THR A 37 9.204 12.219 -5.186 1.00 0.00 O ATOM 542 CB THR A 37 8.229 9.383 -4.142 1.00 0.00 C ATOM 543 OG1 THR A 37 7.822 8.485 -3.104 1.00 0.00 O ATOM 544 CG2 THR A 37 9.725 9.246 -4.380 1.00 0.00 C ATOM 0 H THR A 37 5.972 10.047 -3.316 1.00 0.00 H new ATOM 0 HA THR A 37 8.508 11.152 -2.939 1.00 0.00 H new ATOM 0 HB THR A 37 7.706 9.132 -5.065 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.884 8.653 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.958 8.216 -4.649 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.027 9.910 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.264 9.514 -3.471 1.00 0.00 H new ATOM 552 N GLN A 38 7.038 11.962 -5.737 1.00 0.00 N ATOM 553 CA GLN A 38 7.125 12.810 -6.920 1.00 0.00 C ATOM 554 C GLN A 38 6.574 14.203 -6.633 1.00 0.00 C ATOM 555 O GLN A 38 7.016 15.189 -7.221 1.00 0.00 O ATOM 556 CB GLN A 38 6.362 12.177 -8.085 1.00 0.00 C ATOM 557 CG GLN A 38 6.655 10.697 -8.272 1.00 0.00 C ATOM 558 CD GLN A 38 6.369 10.219 -9.682 1.00 0.00 C ATOM 559 OE1 GLN A 38 7.258 10.191 -10.532 1.00 0.00 O ATOM 560 NE2 GLN A 38 5.122 9.839 -9.937 1.00 0.00 N ATOM 0 H GLN A 38 6.112 11.570 -5.566 1.00 0.00 H new ATOM 0 HA GLN A 38 8.176 12.904 -7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.292 12.309 -7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.613 12.707 -9.004 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.701 10.504 -8.032 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.055 10.120 -7.568 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.416 9.879 -9.202 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.870 9.507 -10.868 1.00 0.00 H new ATOM 569 N MET A 39 5.606 14.276 -5.725 1.00 0.00 N ATOM 570 CA MET A 39 4.996 15.549 -5.359 1.00 0.00 C ATOM 571 C MET A 39 5.948 16.384 -4.509 1.00 0.00 C ATOM 572 O MET A 39 5.903 17.614 -4.537 1.00 0.00 O ATOM 573 CB MET A 39 3.689 15.312 -4.599 1.00 0.00 C ATOM 574 CG MET A 39 2.469 15.228 -5.501 1.00 0.00 C ATOM 575 SD MET A 39 0.930 15.553 -4.620 1.00 0.00 S ATOM 576 CE MET A 39 0.720 14.016 -3.725 1.00 0.00 C ATOM 0 H MET A 39 5.227 13.469 -5.229 1.00 0.00 H new ATOM 0 HA MET A 39 4.781 16.098 -6.276 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.773 14.387 -4.028 1.00 0.00 H new ATOM 0 HB3 MET A 39 3.545 16.119 -3.880 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.575 15.944 -6.316 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.423 14.237 -5.952 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.164 14.082 -3.090 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.597 13.196 -4.433 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.598 13.832 -3.106 1.00 0.00 H new ATOM 586 N TYR A 40 6.808 15.708 -3.755 1.00 0.00 N ATOM 587 CA TYR A 40 7.769 16.389 -2.895 1.00 0.00 C ATOM 588 C TYR A 40 9.170 15.816 -3.084 1.00 0.00 C ATOM 589 O TYR A 40 9.708 15.124 -2.220 1.00 0.00 O ATOM 590 CB TYR A 40 7.350 16.266 -1.429 1.00 0.00 C ATOM 591 CG TYR A 40 6.028 16.931 -1.120 1.00 0.00 C ATOM 592 CD1 TYR A 40 4.828 16.358 -1.523 1.00 0.00 C ATOM 593 CD2 TYR A 40 5.978 18.133 -0.425 1.00 0.00 C ATOM 594 CE1 TYR A 40 3.617 16.962 -1.243 1.00 0.00 C ATOM 595 CE2 TYR A 40 4.772 18.744 -0.139 1.00 0.00 C ATOM 596 CZ TYR A 40 3.595 18.155 -0.551 1.00 0.00 C ATOM 597 OH TYR A 40 2.392 18.761 -0.270 1.00 0.00 O ATOM 0 H TYR A 40 6.859 14.690 -3.722 1.00 0.00 H new ATOM 0 HA TYR A 40 7.785 17.442 -3.174 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.287 15.210 -1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.124 16.706 -0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.842 15.424 -2.065 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.898 18.598 -0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.694 16.503 -1.564 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.751 19.677 0.404 1.00 0.00 H new ATOM 0 HH TYR A 40 2.552 19.592 0.224 1.00 0.00 H new ATOM 607 N PRO A 41 9.777 16.111 -4.243 1.00 0.00 N ATOM 608 CA PRO A 41 11.124 15.638 -4.575 1.00 0.00 C ATOM 609 C PRO A 41 12.200 16.310 -3.728 1.00 0.00 C ATOM 610 O PRO A 41 13.216 15.700 -3.399 1.00 0.00 O ATOM 611 CB PRO A 41 11.284 16.025 -6.047 1.00 0.00 C ATOM 612 CG PRO A 41 10.360 17.177 -6.238 1.00 0.00 C ATOM 613 CD PRO A 41 9.195 16.931 -5.319 1.00 0.00 C ATOM 0 HA PRO A 41 11.239 14.571 -4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.314 16.301 -6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.024 15.196 -6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.855 18.118 -5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.031 17.246 -7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.782 17.864 -4.935 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.385 16.409 -5.828 1.00 0.00 H new ATOM 621 N GLY A 42 11.968 17.571 -3.377 1.00 0.00 N ATOM 622 CA GLY A 42 12.926 18.305 -2.570 1.00 0.00 C ATOM 623 C GLY A 42 13.025 17.768 -1.156 1.00 0.00 C ATOM 624 O GLY A 42 14.014 18.005 -0.461 1.00 0.00 O ATOM 0 H GLY A 42 11.134 18.098 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.907 18.257 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.639 19.356 -2.537 1.00 0.00 H new ATOM 628 N LYS A 43 11.998 17.043 -0.727 1.00 0.00 N ATOM 629 CA LYS A 43 11.972 16.470 0.614 1.00 0.00 C ATOM 630 C LYS A 43 12.488 15.035 0.603 1.00 0.00 C ATOM 631 O LYS A 43 12.484 14.372 -0.435 1.00 0.00 O ATOM 632 CB LYS A 43 10.551 16.508 1.179 1.00 0.00 C ATOM 633 CG LYS A 43 10.024 17.915 1.406 1.00 0.00 C ATOM 634 CD LYS A 43 8.635 17.897 2.024 1.00 0.00 C ATOM 635 CE LYS A 43 8.052 19.298 2.124 1.00 0.00 C ATOM 636 NZ LYS A 43 6.646 19.280 2.614 1.00 0.00 N ATOM 0 H LYS A 43 11.172 16.838 -1.289 1.00 0.00 H new ATOM 0 HA LYS A 43 12.626 17.067 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.883 15.985 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.530 15.964 2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.707 18.459 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.994 18.451 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.976 17.270 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.683 17.450 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.664 19.899 2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.090 19.778 1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.187 20.185 2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.128 18.504 2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.639 19.139 3.644 1.00 0.00 H new ATOM 650 N ASP A 44 12.929 14.561 1.762 1.00 0.00 N ATOM 651 CA ASP A 44 13.445 13.202 1.886 1.00 0.00 C ATOM 652 C ASP A 44 12.362 12.253 2.390 1.00 0.00 C ATOM 653 O ASP A 44 11.333 12.688 2.906 1.00 0.00 O ATOM 654 CB ASP A 44 14.646 13.175 2.834 1.00 0.00 C ATOM 655 CG ASP A 44 14.355 13.855 4.157 1.00 0.00 C ATOM 656 OD1 ASP A 44 13.257 13.634 4.709 1.00 0.00 O ATOM 657 OD2 ASP A 44 15.225 14.610 4.640 1.00 0.00 O ATOM 0 H ASP A 44 12.940 15.097 2.630 1.00 0.00 H new ATOM 0 HA ASP A 44 13.763 12.869 0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.938 12.141 3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.494 13.665 2.356 1.00 0.00 H new ATOM 662 N ASN A 45 12.602 10.955 2.235 1.00 0.00 N ATOM 663 CA ASN A 45 11.646 9.944 2.673 1.00 0.00 C ATOM 664 C ASN A 45 11.253 10.162 4.131 1.00 0.00 C ATOM 665 O ASN A 45 10.119 9.890 4.526 1.00 0.00 O ATOM 666 CB ASN A 45 12.236 8.544 2.496 1.00 0.00 C ATOM 667 CG ASN A 45 11.307 7.457 3.001 1.00 0.00 C ATOM 668 OD1 ASN A 45 10.209 7.271 2.478 1.00 0.00 O ATOM 669 ND2 ASN A 45 11.746 6.732 4.024 1.00 0.00 N ATOM 0 H ASN A 45 13.449 10.579 1.810 1.00 0.00 H new ATOM 0 HA ASN A 45 10.751 10.035 2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.450 8.374 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.185 8.483 3.028 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.165 5.986 4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.664 6.921 4.427 1.00 0.00 H new ATOM 676 N ARG A 46 12.197 10.655 4.925 1.00 0.00 N ATOM 677 CA ARG A 46 11.950 10.910 6.339 1.00 0.00 C ATOM 678 C ARG A 46 10.814 11.912 6.521 1.00 0.00 C ATOM 679 O ARG A 46 10.066 11.848 7.496 1.00 0.00 O ATOM 680 CB ARG A 46 13.219 11.432 7.015 1.00 0.00 C ATOM 681 CG ARG A 46 13.150 11.420 8.533 1.00 0.00 C ATOM 682 CD ARG A 46 14.422 11.976 9.153 1.00 0.00 C ATOM 683 NE ARG A 46 15.450 10.950 9.307 1.00 0.00 N ATOM 684 CZ ARG A 46 15.440 10.038 10.273 1.00 0.00 C ATOM 685 NH1 ARG A 46 14.461 10.026 11.167 1.00 0.00 N ATOM 686 NH2 ARG A 46 16.411 9.137 10.347 1.00 0.00 N ATOM 0 H ARG A 46 13.140 10.886 4.613 1.00 0.00 H new ATOM 0 HA ARG A 46 11.659 9.969 6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 46 14.067 10.827 6.694 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.408 12.451 6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.295 12.009 8.864 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.989 10.400 8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.806 12.783 8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.192 12.408 10.127 1.00 0.00 H new ATOM 0 HE ARG A 46 16.218 10.933 8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.713 10.718 11.114 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.455 9.325 11.908 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.166 9.144 9.662 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.402 8.437 11.089 1.00 0.00 H new ATOM 700 N ALA A 47 10.692 12.838 5.575 1.00 0.00 N ATOM 701 CA ALA A 47 9.647 13.853 5.630 1.00 0.00 C ATOM 702 C ALA A 47 8.350 13.339 5.014 1.00 0.00 C ATOM 703 O ALA A 47 7.261 13.608 5.523 1.00 0.00 O ATOM 704 CB ALA A 47 10.104 15.120 4.923 1.00 0.00 C ATOM 0 H ALA A 47 11.304 12.906 4.762 1.00 0.00 H new ATOM 0 HA ALA A 47 9.454 14.085 6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.314 15.869 4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.000 15.505 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.326 14.895 3.880 1.00 0.00 H new ATOM 710 N ILE A 48 8.474 12.601 3.917 1.00 0.00 N ATOM 711 CA ILE A 48 7.310 12.050 3.233 1.00 0.00 C ATOM 712 C ILE A 48 6.450 11.228 4.186 1.00 0.00 C ATOM 713 O ILE A 48 5.228 11.369 4.214 1.00 0.00 O ATOM 714 CB ILE A 48 7.725 11.166 2.041 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.611 11.956 1.076 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.493 10.634 1.323 1.00 0.00 C ATOM 717 CD1 ILE A 48 7.903 13.123 0.423 1.00 0.00 C ATOM 0 H ILE A 48 9.368 12.371 3.483 1.00 0.00 H new ATOM 0 HA ILE A 48 6.731 12.896 2.864 1.00 0.00 H new ATOM 0 HB ILE A 48 8.297 10.318 2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.482 12.326 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.978 11.284 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.802 10.011 0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.897 10.040 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.897 11.469 0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.591 13.637 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.048 12.758 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.559 13.816 1.191 1.00 0.00 H new ATOM 729 N SER A 49 7.097 10.369 4.968 1.00 0.00 N ATOM 730 CA SER A 49 6.391 9.522 5.922 1.00 0.00 C ATOM 731 C SER A 49 5.651 10.368 6.954 1.00 0.00 C ATOM 732 O SER A 49 4.479 10.127 7.245 1.00 0.00 O ATOM 733 CB SER A 49 7.372 8.582 6.625 1.00 0.00 C ATOM 734 OG SER A 49 8.219 7.937 5.690 1.00 0.00 O ATOM 0 H SER A 49 8.109 10.242 4.959 1.00 0.00 H new ATOM 0 HA SER A 49 5.661 8.928 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.974 9.146 7.337 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.820 7.835 7.196 1.00 0.00 H new ATOM 0 HG SER A 49 8.932 8.551 5.416 1.00 0.00 H new ATOM 740 N VAL A 50 6.343 11.360 7.504 1.00 0.00 N ATOM 741 CA VAL A 50 5.753 12.242 8.504 1.00 0.00 C ATOM 742 C VAL A 50 4.507 12.932 7.959 1.00 0.00 C ATOM 743 O VAL A 50 3.444 12.897 8.581 1.00 0.00 O ATOM 744 CB VAL A 50 6.757 13.313 8.970 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.112 14.242 9.988 1.00 0.00 C ATOM 746 CG2 VAL A 50 8.003 12.658 9.548 1.00 0.00 C ATOM 0 H VAL A 50 7.314 11.573 7.274 1.00 0.00 H new ATOM 0 HA VAL A 50 5.478 11.618 9.355 1.00 0.00 H new ATOM 0 HB VAL A 50 7.054 13.909 8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.836 14.992 10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.252 14.736 9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.785 13.664 10.852 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.702 13.429 9.872 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.726 12.038 10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.475 12.038 8.786 1.00 0.00 H new ATOM 756 N ILE A 51 4.645 13.559 6.796 1.00 0.00 N ATOM 757 CA ILE A 51 3.530 14.256 6.167 1.00 0.00 C ATOM 758 C ILE A 51 2.412 13.285 5.799 1.00 0.00 C ATOM 759 O ILE A 51 1.238 13.657 5.765 1.00 0.00 O ATOM 760 CB ILE A 51 3.978 15.008 4.900 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.100 15.994 5.237 1.00 0.00 C ATOM 762 CG2 ILE A 51 2.799 15.734 4.270 1.00 0.00 C ATOM 763 CD1 ILE A 51 5.839 16.506 4.020 1.00 0.00 C ATOM 0 H ILE A 51 5.518 13.599 6.270 1.00 0.00 H new ATOM 0 HA ILE A 51 3.158 14.977 6.895 1.00 0.00 H new ATOM 0 HB ILE A 51 4.359 14.284 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.678 16.840 5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.810 15.509 5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.132 16.261 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.029 15.011 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.390 16.451 4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.619 17.199 4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.290 15.668 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.141 17.020 3.360 1.00 0.00 H new ATOM 775 N LEU A 52 2.784 12.040 5.526 1.00 0.00 N ATOM 776 CA LEU A 52 1.813 11.014 5.163 1.00 0.00 C ATOM 777 C LEU A 52 0.945 10.636 6.359 1.00 0.00 C ATOM 778 O LEU A 52 -0.263 10.446 6.227 1.00 0.00 O ATOM 779 CB LEU A 52 2.529 9.773 4.626 1.00 0.00 C ATOM 780 CG LEU A 52 2.842 9.773 3.129 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.634 8.532 2.749 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.558 9.859 2.316 1.00 0.00 C ATOM 0 H LEU A 52 3.751 11.716 5.549 1.00 0.00 H new ATOM 0 HA LEU A 52 1.168 11.420 4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.465 9.653 5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.916 8.900 4.849 1.00 0.00 H new ATOM 0 HG LEU A 52 3.450 10.649 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.847 8.550 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.571 8.514 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.052 7.642 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.800 9.858 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.924 9.002 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.029 10.779 2.567 1.00 0.00 H new ATOM 794 N GLY A 53 1.571 10.533 7.528 1.00 0.00 N ATOM 795 CA GLY A 53 0.840 10.181 8.732 1.00 0.00 C ATOM 796 C GLY A 53 -0.265 11.169 9.048 1.00 0.00 C ATOM 797 O GLY A 53 -1.403 10.776 9.308 1.00 0.00 O ATOM 0 H GLY A 53 2.570 10.687 7.663 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.411 9.186 8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.532 10.133 9.573 1.00 0.00 H new ATOM 801 N ASP A 54 0.069 12.454 9.029 1.00 0.00 N ATOM 802 CA ASP A 54 -0.904 13.502 9.317 1.00 0.00 C ATOM 803 C ASP A 54 -2.153 13.334 8.457 1.00 0.00 C ATOM 804 O ASP A 54 -3.274 13.520 8.931 1.00 0.00 O ATOM 805 CB ASP A 54 -0.287 14.881 9.078 1.00 0.00 C ATOM 806 CG ASP A 54 -0.952 15.964 9.904 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.150 15.746 11.118 1.00 0.00 O ATOM 808 OD2 ASP A 54 -1.275 17.029 9.337 1.00 0.00 O ATOM 0 H ASP A 54 1.006 12.796 8.817 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.192 13.419 10.365 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.776 14.847 9.317 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.368 15.134 8.021 1.00 0.00 H new ATOM 813 N ARG A 55 -1.952 12.984 7.191 1.00 0.00 N ATOM 814 CA ARG A 55 -3.061 12.794 6.265 1.00 0.00 C ATOM 815 C ARG A 55 -3.978 11.669 6.738 1.00 0.00 C ATOM 816 O ARG A 55 -5.190 11.715 6.533 1.00 0.00 O ATOM 817 CB ARG A 55 -2.535 12.482 4.863 1.00 0.00 C ATOM 818 CG ARG A 55 -1.957 13.691 4.147 1.00 0.00 C ATOM 819 CD ARG A 55 -2.909 14.219 3.085 1.00 0.00 C ATOM 820 NE ARG A 55 -2.642 15.616 2.756 1.00 0.00 N ATOM 821 CZ ARG A 55 -3.472 16.377 2.051 1.00 0.00 C ATOM 822 NH1 ARG A 55 -4.617 15.878 1.605 1.00 0.00 N ATOM 823 NH2 ARG A 55 -3.158 17.640 1.792 1.00 0.00 N ATOM 0 H ARG A 55 -1.031 12.826 6.783 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.636 13.719 6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.767 11.712 4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.346 12.069 4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.746 14.478 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.008 13.421 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.820 13.611 2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.936 14.119 3.437 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.770 16.031 3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.862 14.908 1.803 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.253 16.464 1.064 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.279 18.027 2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.796 18.223 1.251 1.00 0.00 H new ATOM 837 N TRP A 56 -3.389 10.660 7.370 1.00 0.00 N ATOM 838 CA TRP A 56 -4.152 9.522 7.871 1.00 0.00 C ATOM 839 C TRP A 56 -5.002 9.924 9.072 1.00 0.00 C ATOM 840 O TRP A 56 -6.006 9.280 9.378 1.00 0.00 O ATOM 841 CB TRP A 56 -3.211 8.380 8.256 1.00 0.00 C ATOM 842 CG TRP A 56 -3.914 7.220 8.894 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.033 6.969 10.231 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.594 6.155 8.221 1.00 0.00 C ATOM 845 NE1 TRP A 56 -4.745 5.811 10.430 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.102 5.293 9.213 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.825 5.846 6.878 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.824 4.144 8.902 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.542 4.705 6.571 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.035 3.866 7.579 1.00 0.00 C ATOM 0 H TRP A 56 -2.386 10.607 7.548 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.816 9.183 7.076 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.689 8.033 7.364 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.454 8.759 8.942 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.627 7.589 11.016 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.971 5.403 11.337 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.450 6.487 6.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.204 3.495 9.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.725 4.456 5.536 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.593 2.982 7.306 1.00 0.00 H new ATOM 861 N LYS A 57 -4.594 10.992 9.749 1.00 0.00 N ATOM 862 CA LYS A 57 -5.318 11.481 10.917 1.00 0.00 C ATOM 863 C LYS A 57 -6.355 12.525 10.515 1.00 0.00 C ATOM 864 O LYS A 57 -7.405 12.648 11.148 1.00 0.00 O ATOM 865 CB LYS A 57 -4.344 12.079 11.933 1.00 0.00 C ATOM 866 CG LYS A 57 -3.116 11.219 12.179 1.00 0.00 C ATOM 867 CD LYS A 57 -2.262 11.774 13.306 1.00 0.00 C ATOM 868 CE LYS A 57 -1.582 13.073 12.903 1.00 0.00 C ATOM 869 NZ LYS A 57 -1.060 13.815 14.083 1.00 0.00 N ATOM 0 H LYS A 57 -3.765 11.536 9.509 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.835 10.637 11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.025 13.061 11.583 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.866 12.231 12.878 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.426 10.203 12.423 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.523 11.161 11.266 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.884 11.945 14.185 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.508 11.039 13.588 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.762 12.856 12.218 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.290 13.701 12.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.604 14.694 13.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.846 14.044 14.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.365 13.226 14.584 1.00 0.00 H new ATOM 883 N LYS A 58 -6.056 13.274 9.460 1.00 0.00 N ATOM 884 CA LYS A 58 -6.963 14.306 8.971 1.00 0.00 C ATOM 885 C LYS A 58 -8.114 13.690 8.183 1.00 0.00 C ATOM 886 O LYS A 58 -9.207 14.252 8.120 1.00 0.00 O ATOM 887 CB LYS A 58 -6.206 15.305 8.093 1.00 0.00 C ATOM 888 CG LYS A 58 -5.940 16.635 8.776 1.00 0.00 C ATOM 889 CD LYS A 58 -4.526 16.707 9.326 1.00 0.00 C ATOM 890 CE LYS A 58 -4.343 17.908 10.242 1.00 0.00 C ATOM 891 NZ LYS A 58 -5.307 17.891 11.377 1.00 0.00 N ATOM 0 H LYS A 58 -5.191 13.186 8.926 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.376 14.830 9.833 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.256 14.864 7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.778 15.482 7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.097 17.447 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.654 16.778 9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.301 15.792 9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.816 16.766 8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.325 17.917 10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.473 18.826 9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.930 18.460 12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.216 18.289 11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.449 16.912 11.697 1.00 0.00 H new ATOM 905 N MET A 59 -7.861 12.531 7.583 1.00 0.00 N ATOM 906 CA MET A 59 -8.878 11.838 6.801 1.00 0.00 C ATOM 907 C MET A 59 -10.078 11.473 7.670 1.00 0.00 C ATOM 908 O MET A 59 -10.085 11.726 8.875 1.00 0.00 O ATOM 909 CB MET A 59 -8.292 10.575 6.166 1.00 0.00 C ATOM 910 CG MET A 59 -7.721 10.803 4.776 1.00 0.00 C ATOM 911 SD MET A 59 -7.376 9.262 3.906 1.00 0.00 S ATOM 912 CE MET A 59 -6.300 8.443 5.080 1.00 0.00 C ATOM 0 H MET A 59 -6.961 12.053 7.624 1.00 0.00 H new ATOM 0 HA MET A 59 -9.214 12.511 6.012 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.507 10.184 6.813 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.069 9.812 6.110 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.424 11.396 4.191 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.802 11.384 4.856 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.043 7.451 4.708 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.390 9.029 5.210 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.811 8.350 6.038 1.00 0.00 H new ATOM 922 N LYS A 60 -11.092 10.879 7.051 1.00 0.00 N ATOM 923 CA LYS A 60 -12.298 10.479 7.767 1.00 0.00 C ATOM 924 C LYS A 60 -12.320 8.971 7.995 1.00 0.00 C ATOM 925 O LYS A 60 -11.354 8.273 7.690 1.00 0.00 O ATOM 926 CB LYS A 60 -13.544 10.906 6.989 1.00 0.00 C ATOM 927 CG LYS A 60 -13.502 12.350 6.519 1.00 0.00 C ATOM 928 CD LYS A 60 -14.898 12.939 6.401 1.00 0.00 C ATOM 929 CE LYS A 60 -14.918 14.144 5.472 1.00 0.00 C ATOM 930 NZ LYS A 60 -14.607 15.407 6.196 1.00 0.00 N ATOM 0 H LYS A 60 -11.103 10.664 6.054 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.296 10.976 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.663 10.254 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.422 10.763 7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.913 12.944 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.000 12.405 5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.584 12.179 6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.255 13.233 7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.194 13.997 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.899 14.226 5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.630 16.204 5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.313 15.561 6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.660 15.339 6.621 1.00 0.00 H new ATOM 944 N ASN A 61 -13.430 8.474 8.531 1.00 0.00 N ATOM 945 CA ASN A 61 -13.578 7.048 8.798 1.00 0.00 C ATOM 946 C ASN A 61 -13.613 6.252 7.497 1.00 0.00 C ATOM 947 O ASN A 61 -12.846 5.307 7.315 1.00 0.00 O ATOM 948 CB ASN A 61 -14.854 6.788 9.602 1.00 0.00 C ATOM 949 CG ASN A 61 -16.049 7.540 9.049 1.00 0.00 C ATOM 950 OD1 ASN A 61 -16.739 7.056 8.152 1.00 0.00 O ATOM 951 ND2 ASN A 61 -16.299 8.729 9.584 1.00 0.00 N ATOM 0 H ASN A 61 -14.240 9.038 8.789 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.716 6.722 9.380 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.069 5.719 9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.692 7.081 10.640 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.090 9.281 9.253 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.700 9.091 10.326 1.00 0.00 H new ATOM 958 N GLU A 62 -14.509 6.641 6.595 1.00 0.00 N ATOM 959 CA GLU A 62 -14.644 5.963 5.311 1.00 0.00 C ATOM 960 C GLU A 62 -13.363 6.091 4.491 1.00 0.00 C ATOM 961 O GLU A 62 -12.945 5.145 3.824 1.00 0.00 O ATOM 962 CB GLU A 62 -15.824 6.540 4.526 1.00 0.00 C ATOM 963 CG GLU A 62 -16.180 5.737 3.286 1.00 0.00 C ATOM 964 CD GLU A 62 -17.110 4.578 3.588 1.00 0.00 C ATOM 965 OE1 GLU A 62 -17.935 4.705 4.517 1.00 0.00 O ATOM 966 OE2 GLU A 62 -17.014 3.544 2.894 1.00 0.00 O ATOM 0 H GLU A 62 -15.152 7.422 6.730 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.827 4.906 5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.695 6.589 5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.588 7.563 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.651 6.394 2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.266 5.355 2.830 1.00 0.00 H new ATOM 973 N GLU A 63 -12.746 7.267 4.547 1.00 0.00 N ATOM 974 CA GLU A 63 -11.514 7.519 3.809 1.00 0.00 C ATOM 975 C GLU A 63 -10.440 6.501 4.180 1.00 0.00 C ATOM 976 O GLU A 63 -9.529 6.230 3.397 1.00 0.00 O ATOM 977 CB GLU A 63 -11.007 8.936 4.087 1.00 0.00 C ATOM 978 CG GLU A 63 -12.035 10.017 3.801 1.00 0.00 C ATOM 979 CD GLU A 63 -12.296 10.197 2.318 1.00 0.00 C ATOM 980 OE1 GLU A 63 -11.486 9.700 1.509 1.00 0.00 O ATOM 981 OE2 GLU A 63 -13.310 10.835 1.968 1.00 0.00 O ATOM 0 H GLU A 63 -13.079 8.060 5.096 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.731 7.421 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.700 9.005 5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.120 9.121 3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.970 9.766 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.691 10.961 4.223 1.00 0.00 H new ATOM 988 N ARG A 64 -10.554 5.940 5.380 1.00 0.00 N ATOM 989 CA ARG A 64 -9.592 4.953 5.856 1.00 0.00 C ATOM 990 C ARG A 64 -10.159 3.541 5.739 1.00 0.00 C ATOM 991 O ARG A 64 -9.412 2.569 5.623 1.00 0.00 O ATOM 992 CB ARG A 64 -9.209 5.242 7.309 1.00 0.00 C ATOM 993 CG ARG A 64 -8.480 6.562 7.495 1.00 0.00 C ATOM 994 CD ARG A 64 -8.254 6.870 8.967 1.00 0.00 C ATOM 995 NE ARG A 64 -9.351 7.647 9.538 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.358 8.101 10.787 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.331 7.857 11.590 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.393 8.800 11.234 1.00 0.00 N ATOM 0 H ARG A 64 -11.302 6.152 6.040 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.701 5.021 5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.112 5.246 7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.578 4.433 7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.521 6.525 6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.058 7.366 7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.144 5.937 9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.321 7.421 9.083 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.156 7.852 8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.534 7.320 11.249 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.339 8.206 12.548 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.184 8.989 10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.398 9.148 12.193 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.483 3.436 5.771 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.150 2.144 5.671 1.00 0.00 C ATOM 1014 C ARG A 65 -11.655 1.370 4.452 1.00 0.00 C ATOM 1015 O ARG A 65 -11.480 0.153 4.507 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.666 2.333 5.587 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.447 1.030 5.652 1.00 0.00 C ATOM 1018 CD ARG A 65 -15.918 1.277 5.948 1.00 0.00 C ATOM 1019 NE ARG A 65 -16.766 0.200 5.445 1.00 0.00 N ATOM 1020 CZ ARG A 65 -16.984 -0.021 4.153 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -16.420 0.757 3.240 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -17.768 -1.021 3.773 1.00 0.00 N ATOM 0 H ARG A 65 -12.115 4.231 5.865 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.912 1.570 6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.989 2.981 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.909 2.846 4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.349 0.498 4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.022 0.388 6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.059 1.377 7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.225 2.221 5.497 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.215 -0.416 6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.817 1.527 3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.589 0.585 2.249 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.204 -1.621 4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.935 -1.190 2.781 1.00 0.00 H new ATOM 1036 N MET A 66 -11.433 2.085 3.354 1.00 0.00 N ATOM 1037 CA MET A 66 -10.958 1.465 2.123 1.00 0.00 C ATOM 1038 C MET A 66 -9.717 0.617 2.384 1.00 0.00 C ATOM 1039 O MET A 66 -9.503 -0.405 1.731 1.00 0.00 O ATOM 1040 CB MET A 66 -10.647 2.535 1.075 1.00 0.00 C ATOM 1041 CG MET A 66 -9.633 3.567 1.542 1.00 0.00 C ATOM 1042 SD MET A 66 -9.643 5.059 0.530 1.00 0.00 S ATOM 1043 CE MET A 66 -11.294 5.675 0.850 1.00 0.00 C ATOM 0 H MET A 66 -11.574 3.093 3.292 1.00 0.00 H new ATOM 0 HA MET A 66 -11.747 0.815 1.746 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.271 2.051 0.174 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.571 3.044 0.802 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.843 3.834 2.578 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.636 3.126 1.522 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.302 6.761 0.756 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.989 5.244 0.130 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.597 5.396 1.859 1.00 0.00 H new ATOM 1053 N TYR A 67 -8.904 1.047 3.342 1.00 0.00 N ATOM 1054 CA TYR A 67 -7.683 0.329 3.687 1.00 0.00 C ATOM 1055 C TYR A 67 -7.916 -0.603 4.873 1.00 0.00 C ATOM 1056 O TYR A 67 -7.308 -1.669 4.969 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.560 1.315 4.012 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.446 2.451 3.020 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -5.878 2.251 1.768 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -6.905 3.724 3.336 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -5.771 3.286 0.859 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -6.804 4.764 2.432 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.235 4.540 1.195 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.131 5.574 0.293 1.00 0.00 O ATOM 0 H TYR A 67 -9.068 1.889 3.894 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.391 -0.273 2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.727 1.728 5.007 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.613 0.776 4.045 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.514 1.270 1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.348 3.903 4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.326 3.114 -0.110 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.168 5.747 2.692 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.226 5.949 0.328 1.00 0.00 H new ATOM 1074 N THR A 68 -8.802 -0.192 5.774 1.00 0.00 N ATOM 1075 CA THR A 68 -9.116 -0.987 6.954 1.00 0.00 C ATOM 1076 C THR A 68 -9.565 -2.392 6.567 1.00 0.00 C ATOM 1077 O THR A 68 -8.908 -3.379 6.901 1.00 0.00 O ATOM 1078 CB THR A 68 -10.218 -0.324 7.802 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.043 1.098 7.807 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.192 -0.848 9.230 1.00 0.00 C ATOM 0 H THR A 68 -9.315 0.687 5.709 1.00 0.00 H new ATOM 0 HA THR A 68 -8.202 -1.050 7.545 1.00 0.00 H new ATOM 0 HB THR A 68 -11.183 -0.570 7.360 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.748 1.512 8.347 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.979 -0.365 9.809 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.354 -1.926 9.225 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.224 -0.629 9.680 1.00 0.00 H new ATOM 1088 N LEU A 69 -10.687 -2.475 5.861 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.224 -3.760 5.427 1.00 0.00 C ATOM 1090 C LEU A 69 -10.240 -4.480 4.511 1.00 0.00 C ATOM 1091 O LEU A 69 -10.014 -5.681 4.650 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.558 -3.560 4.706 1.00 0.00 C ATOM 1093 CG LEU A 69 -13.754 -3.207 5.591 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -14.741 -2.334 4.832 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -14.435 -4.470 6.097 1.00 0.00 C ATOM 0 H LEU A 69 -11.243 -1.668 5.577 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.385 -4.376 6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.433 -2.769 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.793 -4.473 4.160 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.391 -2.645 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.585 -2.093 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.248 -1.413 4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.098 -2.869 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.284 -4.199 6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.784 -5.060 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.725 -5.057 6.680 1.00 0.00 H new ATOM 1107 N GLU A 70 -9.658 -3.736 3.575 1.00 0.00 N ATOM 1108 CA GLU A 70 -8.697 -4.304 2.637 1.00 0.00 C ATOM 1109 C GLU A 70 -7.570 -5.019 3.378 1.00 0.00 C ATOM 1110 O GLU A 70 -7.373 -6.223 3.217 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.118 -3.208 1.740 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.331 -3.744 0.556 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.214 -4.423 -0.473 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.451 -4.277 -0.380 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -7.670 -5.100 -1.369 1.00 0.00 O ATOM 0 H GLU A 70 -9.835 -2.740 3.446 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.220 -5.032 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.932 -2.584 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.469 -2.567 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.792 -2.924 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.584 -4.453 0.912 1.00 0.00 H new ATOM 1122 N ALA A 71 -6.834 -4.267 4.190 1.00 0.00 N ATOM 1123 CA ALA A 71 -5.728 -4.828 4.956 1.00 0.00 C ATOM 1124 C ALA A 71 -6.185 -6.025 5.783 1.00 0.00 C ATOM 1125 O ALA A 71 -5.445 -6.995 5.951 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.118 -3.764 5.857 1.00 0.00 C ATOM 0 H ALA A 71 -6.984 -3.268 4.334 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.969 -5.173 4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.293 -4.196 6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.747 -2.940 5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.876 -3.393 6.546 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.407 -5.950 6.298 1.00 0.00 N ATOM 1133 CA LYS A 72 -7.964 -7.028 7.108 1.00 0.00 C ATOM 1134 C LYS A 72 -8.093 -8.310 6.292 1.00 0.00 C ATOM 1135 O LYS A 72 -7.529 -9.344 6.649 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.332 -6.623 7.661 1.00 0.00 C ATOM 1137 CG LYS A 72 -9.672 -7.285 8.985 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.019 -6.819 9.512 1.00 0.00 C ATOM 1139 CE LYS A 72 -10.903 -5.484 10.232 1.00 0.00 C ATOM 1140 NZ LYS A 72 -12.136 -5.161 11.003 1.00 0.00 N ATOM 0 H LYS A 72 -8.031 -5.154 6.169 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.284 -7.214 7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.357 -5.541 7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.100 -6.876 6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.684 -8.368 8.859 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.896 -7.058 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.723 -6.728 8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.423 -7.567 10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.048 -5.509 10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.712 -4.695 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.017 -4.244 11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.948 -5.112 10.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.305 -5.901 11.714 1.00 0.00 H new ATOM 1154 N ALA A 73 -8.838 -8.235 5.194 1.00 0.00 N ATOM 1155 CA ALA A 73 -9.037 -9.389 4.326 1.00 0.00 C ATOM 1156 C ALA A 73 -7.703 -9.990 3.896 1.00 0.00 C ATOM 1157 O ALA A 73 -7.561 -11.210 3.806 1.00 0.00 O ATOM 1158 CB ALA A 73 -9.858 -8.996 3.106 1.00 0.00 C ATOM 0 H ALA A 73 -9.314 -7.387 4.885 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.582 -10.146 4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.999 -9.867 2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.830 -8.620 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.334 -8.219 2.550 1.00 0.00 H new ATOM 1164 N LEU A 74 -6.729 -9.127 3.631 1.00 0.00 N ATOM 1165 CA LEU A 74 -5.405 -9.573 3.210 1.00 0.00 C ATOM 1166 C LEU A 74 -4.626 -10.153 4.387 1.00 0.00 C ATOM 1167 O LEU A 74 -3.735 -10.982 4.206 1.00 0.00 O ATOM 1168 CB LEU A 74 -4.627 -8.411 2.591 1.00 0.00 C ATOM 1169 CG LEU A 74 -4.973 -8.068 1.142 1.00 0.00 C ATOM 1170 CD1 LEU A 74 -4.153 -6.880 0.664 1.00 0.00 C ATOM 1171 CD2 LEU A 74 -4.748 -9.272 0.239 1.00 0.00 C ATOM 0 H LEU A 74 -6.831 -8.114 3.700 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.533 -10.356 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.791 -7.524 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.563 -8.643 2.644 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.028 -7.797 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.413 -6.651 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.365 -6.015 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.092 -7.122 0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.000 -9.008 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.702 -9.575 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.381 -10.096 0.567 1.00 0.00 H new ATOM 1183 N ALA A 75 -4.969 -9.711 5.592 1.00 0.00 N ATOM 1184 CA ALA A 75 -4.305 -10.188 6.798 1.00 0.00 C ATOM 1185 C ALA A 75 -4.858 -11.543 7.230 1.00 0.00 C ATOM 1186 O ALA A 75 -4.176 -12.316 7.901 1.00 0.00 O ATOM 1187 CB ALA A 75 -4.456 -9.173 7.921 1.00 0.00 C ATOM 0 H ALA A 75 -5.703 -9.023 5.759 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.245 -10.311 6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.955 -9.543 8.816 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.007 -8.227 7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.514 -9.021 8.134 1.00 0.00 H new ATOM 1193 N GLU A 76 -6.098 -11.822 6.840 1.00 0.00 N ATOM 1194 CA GLU A 76 -6.741 -13.083 7.189 1.00 0.00 C ATOM 1195 C GLU A 76 -6.589 -14.101 6.063 1.00 0.00 C ATOM 1196 O GLU A 76 -6.276 -15.267 6.305 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.225 -12.858 7.490 1.00 0.00 C ATOM 1198 CG GLU A 76 -8.472 -11.952 8.685 1.00 0.00 C ATOM 1199 CD GLU A 76 -8.507 -12.712 9.996 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -8.041 -13.870 10.024 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -9.001 -12.148 10.995 1.00 0.00 O ATOM 0 H GLU A 76 -6.676 -11.193 6.283 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.252 -13.476 8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.704 -12.426 6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.701 -13.822 7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.690 -11.194 8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.417 -11.427 8.549 1.00 0.00 H new ATOM 1208 N GLU A 77 -6.813 -13.652 4.832 1.00 0.00 N ATOM 1209 CA GLU A 77 -6.702 -14.525 3.669 1.00 0.00 C ATOM 1210 C GLU A 77 -5.357 -15.246 3.657 1.00 0.00 C ATOM 1211 O GLU A 77 -5.289 -16.446 3.392 1.00 0.00 O ATOM 1212 CB GLU A 77 -6.872 -13.717 2.380 1.00 0.00 C ATOM 1213 CG GLU A 77 -6.927 -14.575 1.127 1.00 0.00 C ATOM 1214 CD GLU A 77 -8.339 -14.998 0.771 1.00 0.00 C ATOM 1215 OE1 GLU A 77 -9.275 -14.211 1.025 1.00 0.00 O ATOM 1216 OE2 GLU A 77 -8.509 -16.115 0.240 1.00 0.00 O ATOM 0 H GLU A 77 -7.072 -12.690 4.614 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.494 -15.271 3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.787 -13.129 2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.046 -13.012 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.496 -14.021 0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.311 -15.463 1.272 1.00 0.00 H new ATOM 1223 N GLN A 78 -4.292 -14.505 3.944 1.00 0.00 N ATOM 1224 CA GLN A 78 -2.950 -15.074 3.965 1.00 0.00 C ATOM 1225 C GLN A 78 -2.882 -16.275 4.902 1.00 0.00 C ATOM 1226 O GLN A 78 -2.056 -17.171 4.722 1.00 0.00 O ATOM 1227 CB GLN A 78 -1.932 -14.017 4.396 1.00 0.00 C ATOM 1228 CG GLN A 78 -1.613 -13.001 3.311 1.00 0.00 C ATOM 1229 CD GLN A 78 -0.529 -13.479 2.365 1.00 0.00 C ATOM 1230 OE1 GLN A 78 0.657 -13.236 2.587 1.00 0.00 O ATOM 1231 NE2 GLN A 78 -0.932 -14.163 1.301 1.00 0.00 N ATOM 0 H GLN A 78 -4.332 -13.510 4.165 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.709 -15.410 2.956 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.314 -13.493 5.272 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.010 -14.514 4.699 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.518 -12.786 2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.299 -12.066 3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.926 -14.342 1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.248 -14.510 0.629 1.00 0.00 H new ATOM 1240 N LYS A 79 -3.755 -16.288 5.903 1.00 0.00 N ATOM 1241 CA LYS A 79 -3.795 -17.379 6.870 1.00 0.00 C ATOM 1242 C LYS A 79 -4.383 -18.639 6.243 1.00 0.00 C ATOM 1243 O LYS A 79 -3.934 -19.750 6.523 1.00 0.00 O ATOM 1244 CB LYS A 79 -4.620 -16.973 8.094 1.00 0.00 C ATOM 1245 CG LYS A 79 -4.294 -15.583 8.613 1.00 0.00 C ATOM 1246 CD LYS A 79 -2.848 -15.482 9.067 1.00 0.00 C ATOM 1247 CE LYS A 79 -2.616 -16.240 10.364 1.00 0.00 C ATOM 1248 NZ LYS A 79 -2.245 -17.661 10.118 1.00 0.00 N ATOM 0 H LYS A 79 -4.445 -15.555 6.066 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.773 -17.592 7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.679 -17.018 7.839 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.453 -17.698 8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.483 -14.848 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.955 -15.340 9.445 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.194 -15.879 8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.581 -14.434 9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.825 -15.752 10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.519 -16.201 10.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.052 -18.275 10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.990 -17.785 9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.433 -17.916 10.716 1.00 0.00 H new ATOM 1262 N ARG A 80 -5.389 -18.458 5.394 1.00 0.00 N ATOM 1263 CA ARG A 80 -6.038 -19.581 4.727 1.00 0.00 C ATOM 1264 C ARG A 80 -5.135 -20.166 3.645 1.00 0.00 C ATOM 1265 O ARG A 80 -5.033 -21.385 3.499 1.00 0.00 O ATOM 1266 CB ARG A 80 -7.367 -19.138 4.113 1.00 0.00 C ATOM 1267 CG ARG A 80 -8.231 -18.318 5.056 1.00 0.00 C ATOM 1268 CD ARG A 80 -9.711 -18.500 4.756 1.00 0.00 C ATOM 1269 NE ARG A 80 -10.105 -17.830 3.520 1.00 0.00 N ATOM 1270 CZ ARG A 80 -11.282 -18.008 2.930 1.00 0.00 C ATOM 1271 NH1 ARG A 80 -12.176 -18.830 3.462 1.00 0.00 N ATOM 1272 NH2 ARG A 80 -11.566 -17.363 1.806 1.00 0.00 N ATOM 0 H ARG A 80 -5.773 -17.545 5.151 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.230 -20.353 5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.166 -18.552 3.216 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.924 -20.020 3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.028 -18.613 6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.968 -17.264 4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -9.937 -19.564 4.680 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -10.300 -18.107 5.585 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.440 -17.190 3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -11.961 -19.327 4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.079 -18.965 3.007 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.880 -16.730 1.394 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.470 -17.500 1.354 1.00 0.00 H new ATOM 1286 N LEU A 81 -4.482 -19.291 2.890 1.00 0.00 N ATOM 1287 CA LEU A 81 -3.587 -19.720 1.820 1.00 0.00 C ATOM 1288 C LEU A 81 -2.440 -20.560 2.374 1.00 0.00 C ATOM 1289 O LEU A 81 -1.870 -21.391 1.669 1.00 0.00 O ATOM 1290 CB LEU A 81 -3.031 -18.505 1.075 1.00 0.00 C ATOM 1291 CG LEU A 81 -3.854 -18.015 -0.117 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -3.310 -16.691 -0.632 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -3.863 -19.058 -1.225 1.00 0.00 C ATOM 0 H LEU A 81 -4.555 -18.279 2.998 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.160 -20.334 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.931 -17.683 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.028 -18.747 0.724 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.881 -17.859 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.908 -16.357 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.357 -15.945 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.274 -16.821 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.454 -18.692 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.841 -19.247 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.300 -19.983 -0.850 1.00 0.00 H new ATOM 1305 N ASN A 82 -2.109 -20.337 3.642 1.00 0.00 N ATOM 1306 CA ASN A 82 -1.031 -21.075 4.291 1.00 0.00 C ATOM 1307 C ASN A 82 -1.569 -21.932 5.433 1.00 0.00 C ATOM 1308 O ASN A 82 -1.382 -21.628 6.611 1.00 0.00 O ATOM 1309 CB ASN A 82 0.030 -20.108 4.820 1.00 0.00 C ATOM 1310 CG ASN A 82 0.780 -19.406 3.705 1.00 0.00 C ATOM 1311 OD1 ASN A 82 1.040 -19.990 2.653 1.00 0.00 O ATOM 1312 ND2 ASN A 82 1.134 -18.146 3.931 1.00 0.00 N ATOM 0 H ASN A 82 -2.571 -19.652 4.240 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.577 -21.733 3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.447 -19.364 5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.738 -20.655 5.442 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.642 -17.623 3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 82 0.898 -17.701 4.818 1.00 0.00 H new ATOM 1319 N PRO A 83 -2.254 -23.029 5.077 1.00 0.00 N ATOM 1320 CA PRO A 83 -2.832 -23.953 6.057 1.00 0.00 C ATOM 1321 C PRO A 83 -1.766 -24.743 6.809 1.00 0.00 C ATOM 1322 O PRO A 83 -2.030 -25.304 7.873 1.00 0.00 O ATOM 1323 CB PRO A 83 -3.686 -24.891 5.200 1.00 0.00 C ATOM 1324 CG PRO A 83 -3.058 -24.846 3.849 1.00 0.00 C ATOM 1325 CD PRO A 83 -2.515 -23.452 3.691 1.00 0.00 C ATOM 0 HA PRO A 83 -3.394 -23.428 6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.687 -25.904 5.603 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.724 -24.561 5.165 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -2.263 -25.587 3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.788 -25.071 3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.606 -23.440 3.089 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.232 -22.795 3.198 1.00 0.00 H new ATOM 1333 N ASP A 84 -0.561 -24.781 6.251 1.00 0.00 N ATOM 1334 CA ASP A 84 0.546 -25.501 6.870 1.00 0.00 C ATOM 1335 C ASP A 84 1.254 -24.626 7.900 1.00 0.00 C ATOM 1336 O ASP A 84 1.860 -25.131 8.846 1.00 0.00 O ATOM 1337 CB ASP A 84 1.541 -25.963 5.804 1.00 0.00 C ATOM 1338 CG ASP A 84 2.556 -26.949 6.349 1.00 0.00 C ATOM 1339 OD1 ASP A 84 3.477 -26.513 7.070 1.00 0.00 O ATOM 1340 OD2 ASP A 84 2.429 -28.156 6.054 1.00 0.00 O ATOM 0 H ASP A 84 -0.326 -24.322 5.371 1.00 0.00 H new ATOM 0 HA ASP A 84 0.140 -26.375 7.380 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.998 -26.424 4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.062 -25.096 5.398 1.00 0.00 H new ATOM 1345 N CYS A 85 1.175 -23.314 7.708 1.00 0.00 N ATOM 1346 CA CYS A 85 1.810 -22.369 8.620 1.00 0.00 C ATOM 1347 C CYS A 85 0.913 -22.085 9.820 1.00 0.00 C ATOM 1348 O CYS A 85 0.515 -20.944 10.054 1.00 0.00 O ATOM 1349 CB CYS A 85 2.135 -21.065 7.890 1.00 0.00 C ATOM 1350 SG CYS A 85 3.275 -21.260 6.501 1.00 0.00 S ATOM 0 H CYS A 85 0.678 -22.881 6.930 1.00 0.00 H new ATOM 0 HA CYS A 85 2.737 -22.816 8.981 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.207 -20.625 7.525 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.564 -20.360 8.602 1.00 0.00 H new ATOM 0 HG CYS A 85 3.486 -20.103 5.947 1.00 0.00 H new ATOM 1356 N TRP A 86 0.598 -23.130 10.577 1.00 0.00 N ATOM 1357 CA TRP A 86 -0.254 -22.993 11.753 1.00 0.00 C ATOM 1358 C TRP A 86 0.508 -23.357 13.022 1.00 0.00 C ATOM 1359 O TRP A 86 0.433 -24.489 13.501 1.00 0.00 O ATOM 1360 CB TRP A 86 -1.494 -23.877 11.616 1.00 0.00 C ATOM 1361 CG TRP A 86 -2.510 -23.332 10.659 1.00 0.00 C ATOM 1362 CD1 TRP A 86 -2.573 -22.059 10.168 1.00 0.00 C ATOM 1363 CD2 TRP A 86 -3.609 -24.042 10.079 1.00 0.00 C ATOM 1364 NE1 TRP A 86 -3.645 -21.935 9.318 1.00 0.00 N ATOM 1365 CE2 TRP A 86 -4.297 -23.138 9.246 1.00 0.00 C ATOM 1366 CE3 TRP A 86 -4.079 -25.354 10.181 1.00 0.00 C ATOM 1367 CZ2 TRP A 86 -5.428 -23.506 8.522 1.00 0.00 C ATOM 1368 CZ3 TRP A 86 -5.202 -25.718 9.462 1.00 0.00 C ATOM 1369 CH2 TRP A 86 -5.865 -24.797 8.640 1.00 0.00 C ATOM 0 H TRP A 86 0.920 -24.081 10.398 1.00 0.00 H new ATOM 0 HA TRP A 86 -0.566 -21.951 11.825 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -1.189 -24.869 11.284 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -1.956 -23.997 12.596 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -1.881 -21.266 10.412 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -3.912 -21.085 8.821 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -3.574 -26.071 10.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -5.942 -22.797 7.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.575 -26.729 9.535 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -6.738 -25.113 8.089 1.00 0.00 H new ATOM 1380 N LYS A 87 1.242 -22.391 13.564 1.00 0.00 N ATOM 1381 CA LYS A 87 2.018 -22.610 14.780 1.00 0.00 C ATOM 1382 C LYS A 87 1.347 -21.948 15.979 1.00 0.00 C ATOM 1383 O LYS A 87 0.345 -21.246 15.834 1.00 0.00 O ATOM 1384 CB LYS A 87 3.437 -22.063 14.610 1.00 0.00 C ATOM 1385 CG LYS A 87 4.386 -23.035 13.932 1.00 0.00 C ATOM 1386 CD LYS A 87 5.486 -22.306 13.177 1.00 0.00 C ATOM 1387 CE LYS A 87 6.729 -23.170 13.033 1.00 0.00 C ATOM 1388 NZ LYS A 87 7.386 -23.421 14.345 1.00 0.00 N ATOM 0 H LYS A 87 1.316 -21.449 13.181 1.00 0.00 H new ATOM 0 HA LYS A 87 2.069 -23.684 14.961 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.395 -21.143 14.027 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.837 -21.802 15.590 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.830 -23.692 14.679 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.828 -23.668 13.242 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.123 -22.021 12.189 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.740 -21.385 13.702 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.459 -24.121 12.575 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.435 -22.681 12.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.387 -23.656 14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.317 -22.568 14.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.913 -24.214 14.824 1.00 0.00 H new TER 1402 LYS A 87