USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 779 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 36 THR OG1 : rot 113:sc= 1.3 USER MOD Set 1.2: A 38 SER OG : rot 180:sc= 1.03 USER MOD Set 1.3: A 39 SER OG : rot 88:sc= 0.00451 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -170:sc= 1.75 (180deg=0.43) USER MOD Set 2.2: A 26 GLN : amide:sc= 1.08 K(o=2.8,f=-7.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 1.19 (180deg=0.838) USER MOD Single : A 3 HIS : no HD1:sc= -0.0836 X(o=-0.084,f=-0.13) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.0301 (180deg=-0.24) USER MOD Single : A 17 HIS : +bothHN:sc= -1.53! C(o=-1.5!,f=-10!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -160:sc= 1.15 USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= -1.28 (180deg=-3.67!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 72:sc= 1.38 USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.01) USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= -1.24 (180deg=-1.35) USER MOD Single : A 45 HIS : no HE2:sc= -0.278 K(o=-0.28,f=-4.2!) USER MOD Single : A 49 ASN : amide:sc= -0.0128 X(o=-0.013,f=-0.026) USER MOD Single : A 50 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.0478 (180deg=-0.248) USER MOD Single : A 55 MET CE :methyl 168:sc= -1.55 (180deg=-2.18) USER MOD Single : A 56 GLN :FLIP amide:sc=-0.00814 F(o=-1,f=-0.0081) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 95:sc= 0.00655 USER MOD Single : A 68 TYR OH : rot 59:sc= 1.21 USER MOD Single : A 70 ASN : amide:sc= 1.18 K(o=1.2,f=-0.29) USER MOD Single : A 72 ASN : amide:sc= 0.865 K(o=0.87,f=-0.074) USER MOD Single : A 74 TYR OH : rot -179:sc= 0.446 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 80 SER OG : rot -100:sc= 0.974 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.39) USER MOD Single : A 93 LYS NZ :NH3+ 146:sc= 1.15 (180deg=-0.0462) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.705 -12.497 -3.942 1.00 0.00 N ATOM 2 CA MET A 1 -29.857 -13.093 -3.225 1.00 0.00 C ATOM 3 C MET A 1 -30.289 -12.201 -2.066 1.00 0.00 C ATOM 4 O MET A 1 -29.616 -11.218 -1.743 1.00 0.00 O ATOM 5 CB MET A 1 -29.497 -14.489 -2.689 1.00 0.00 C ATOM 6 CG MET A 1 -28.636 -14.465 -1.433 1.00 0.00 C ATOM 7 SD MET A 1 -27.015 -13.722 -1.698 1.00 0.00 S ATOM 8 CE MET A 1 -26.407 -13.624 -0.015 1.00 0.00 C ATOM 0 H1 MET A 1 -28.554 -13.003 -4.838 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.900 -11.495 -4.139 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.852 -12.574 -3.353 1.00 0.00 H new ATOM 0 HA MET A 1 -30.681 -13.183 -3.932 1.00 0.00 H new ATOM 0 HB2 MET A 1 -30.417 -15.034 -2.477 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.971 -15.042 -3.468 1.00 0.00 H new ATOM 0 HG2 MET A 1 -29.159 -13.912 -0.652 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.506 -15.484 -1.070 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.410 -13.184 -0.013 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.078 -13.004 0.579 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.362 -14.625 0.415 1.00 0.00 H new ATOM 20 N GLY A 2 -31.423 -12.542 -1.458 1.00 0.00 N ATOM 21 CA GLY A 2 -31.856 -11.898 -0.230 1.00 0.00 C ATOM 22 C GLY A 2 -32.085 -10.405 -0.362 1.00 0.00 C ATOM 23 O GLY A 2 -33.078 -9.965 -0.944 1.00 0.00 O ATOM 0 H GLY A 2 -32.057 -13.264 -1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -32.780 -12.368 0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -31.108 -12.073 0.543 1.00 0.00 H new ATOM 27 N HIS A 3 -31.159 -9.627 0.176 1.00 0.00 N ATOM 28 CA HIS A 3 -31.307 -8.176 0.223 1.00 0.00 C ATOM 29 C HIS A 3 -30.456 -7.487 -0.836 1.00 0.00 C ATOM 30 O HIS A 3 -30.371 -6.262 -0.871 1.00 0.00 O ATOM 31 CB HIS A 3 -30.952 -7.634 1.617 1.00 0.00 C ATOM 32 CG HIS A 3 -29.624 -8.104 2.148 1.00 0.00 C ATOM 33 ND1 HIS A 3 -28.420 -7.527 1.805 1.00 0.00 N ATOM 34 CD2 HIS A 3 -29.323 -9.111 3.001 1.00 0.00 C ATOM 35 CE1 HIS A 3 -27.439 -8.159 2.424 1.00 0.00 C ATOM 36 NE2 HIS A 3 -27.959 -9.123 3.157 1.00 0.00 N ATOM 0 H HIS A 3 -30.293 -9.975 0.588 1.00 0.00 H new ATOM 0 HA HIS A 3 -32.353 -7.954 0.012 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -30.950 -6.545 1.580 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -31.734 -7.927 2.317 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -30.026 -9.782 3.472 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -26.388 -7.925 2.343 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -27.434 -9.772 3.744 1.00 0.00 H new ATOM 45 N HIS A 4 -29.831 -8.270 -1.700 1.00 0.00 N ATOM 46 CA HIS A 4 -29.040 -7.704 -2.785 1.00 0.00 C ATOM 47 C HIS A 4 -29.963 -7.277 -3.922 1.00 0.00 C ATOM 48 O HIS A 4 -30.199 -8.027 -4.865 1.00 0.00 O ATOM 49 CB HIS A 4 -27.990 -8.709 -3.276 1.00 0.00 C ATOM 50 CG HIS A 4 -27.029 -8.153 -4.287 1.00 0.00 C ATOM 51 ND1 HIS A 4 -26.704 -8.808 -5.457 1.00 0.00 N ATOM 52 CD2 HIS A 4 -26.308 -7.005 -4.290 1.00 0.00 C ATOM 53 CE1 HIS A 4 -25.827 -8.090 -6.132 1.00 0.00 C ATOM 54 NE2 HIS A 4 -25.572 -6.991 -5.449 1.00 0.00 N ATOM 0 H HIS A 4 -29.854 -9.289 -1.674 1.00 0.00 H new ATOM 0 HA HIS A 4 -28.508 -6.827 -2.417 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -27.426 -9.075 -2.418 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -28.501 -9.568 -3.712 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -26.312 -6.244 -3.524 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -25.391 -8.357 -7.083 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -24.932 -6.250 -5.735 1.00 0.00 H new ATOM 63 N HIS A 5 -30.529 -6.086 -3.791 1.00 0.00 N ATOM 64 CA HIS A 5 -31.452 -5.547 -4.786 1.00 0.00 C ATOM 65 C HIS A 5 -31.132 -4.082 -5.053 1.00 0.00 C ATOM 66 O HIS A 5 -30.245 -3.513 -4.420 1.00 0.00 O ATOM 67 CB HIS A 5 -32.909 -5.670 -4.315 1.00 0.00 C ATOM 68 CG HIS A 5 -33.434 -7.074 -4.265 1.00 0.00 C ATOM 69 ND1 HIS A 5 -34.349 -7.563 -5.169 1.00 0.00 N ATOM 70 CD2 HIS A 5 -33.180 -8.089 -3.407 1.00 0.00 C ATOM 71 CE1 HIS A 5 -34.634 -8.815 -4.870 1.00 0.00 C ATOM 72 NE2 HIS A 5 -33.939 -9.161 -3.804 1.00 0.00 N ATOM 0 H HIS A 5 -30.364 -5.467 -2.997 1.00 0.00 H new ATOM 0 HA HIS A 5 -31.332 -6.125 -5.702 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -32.994 -5.229 -3.322 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -33.543 -5.083 -4.980 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -32.504 -8.061 -2.565 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -35.322 -9.451 -5.408 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -33.962 -10.074 -3.350 1.00 0.00 H new ATOM 81 N HIS A 6 -31.859 -3.474 -5.981 1.00 0.00 N ATOM 82 CA HIS A 6 -31.662 -2.063 -6.303 1.00 0.00 C ATOM 83 C HIS A 6 -32.635 -1.179 -5.533 1.00 0.00 C ATOM 84 O HIS A 6 -32.792 0.001 -5.838 1.00 0.00 O ATOM 85 CB HIS A 6 -31.814 -1.820 -7.805 1.00 0.00 C ATOM 86 CG HIS A 6 -30.642 -2.290 -8.605 1.00 0.00 C ATOM 87 ND1 HIS A 6 -29.503 -1.537 -8.774 1.00 0.00 N ATOM 88 CD2 HIS A 6 -30.433 -3.440 -9.285 1.00 0.00 C ATOM 89 CE1 HIS A 6 -28.647 -2.200 -9.524 1.00 0.00 C ATOM 90 NE2 HIS A 6 -29.184 -3.361 -9.850 1.00 0.00 N ATOM 0 H HIS A 6 -32.590 -3.933 -6.524 1.00 0.00 H new ATOM 0 HA HIS A 6 -30.647 -1.799 -6.005 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -32.712 -2.327 -8.158 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -31.960 -0.754 -7.980 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -31.121 -4.268 -9.368 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -27.669 -1.852 -9.822 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -28.745 -4.079 -10.425 1.00 0.00 H new ATOM 99 N HIS A 7 -33.289 -1.751 -4.532 1.00 0.00 N ATOM 100 CA HIS A 7 -34.185 -0.981 -3.678 1.00 0.00 C ATOM 101 C HIS A 7 -33.488 -0.577 -2.390 1.00 0.00 C ATOM 102 O HIS A 7 -34.021 0.207 -1.609 1.00 0.00 O ATOM 103 CB HIS A 7 -35.461 -1.765 -3.358 1.00 0.00 C ATOM 104 CG HIS A 7 -36.592 -1.479 -4.294 1.00 0.00 C ATOM 105 ND1 HIS A 7 -37.667 -0.691 -3.950 1.00 0.00 N ATOM 106 CD2 HIS A 7 -36.820 -1.884 -5.566 1.00 0.00 C ATOM 107 CE1 HIS A 7 -38.503 -0.623 -4.965 1.00 0.00 C ATOM 108 NE2 HIS A 7 -38.013 -1.337 -5.959 1.00 0.00 N ATOM 0 H HIS A 7 -33.218 -2.740 -4.291 1.00 0.00 H new ATOM 0 HA HIS A 7 -34.464 -0.081 -4.226 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -35.238 -2.832 -3.386 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -35.775 -1.532 -2.341 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -36.180 -2.520 -6.160 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -39.433 -0.075 -4.981 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -38.451 -1.462 -6.872 1.00 0.00 H new ATOM 117 N HIS A 8 -32.293 -1.103 -2.180 1.00 0.00 N ATOM 118 CA HIS A 8 -31.540 -0.802 -0.977 1.00 0.00 C ATOM 119 C HIS A 8 -30.128 -0.373 -1.330 1.00 0.00 C ATOM 120 O HIS A 8 -29.331 -1.174 -1.819 1.00 0.00 O ATOM 121 CB HIS A 8 -31.492 -2.015 -0.044 1.00 0.00 C ATOM 122 CG HIS A 8 -30.852 -1.728 1.282 1.00 0.00 C ATOM 123 ND1 HIS A 8 -29.648 -2.273 1.673 1.00 0.00 N ATOM 124 CD2 HIS A 8 -31.263 -0.954 2.315 1.00 0.00 C ATOM 125 CE1 HIS A 8 -29.345 -1.846 2.883 1.00 0.00 C ATOM 126 NE2 HIS A 8 -30.307 -1.045 3.296 1.00 0.00 N ATOM 0 H HIS A 8 -31.825 -1.739 -2.826 1.00 0.00 H new ATOM 0 HA HIS A 8 -32.045 0.015 -0.461 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -32.507 -2.375 0.122 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -30.945 -2.819 -0.536 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -32.173 -0.374 2.359 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -28.459 -2.108 3.441 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -30.336 -0.570 4.198 1.00 0.00 H new ATOM 135 N SER A 9 -29.828 0.890 -1.096 1.00 0.00 N ATOM 136 CA SER A 9 -28.475 1.380 -1.247 1.00 0.00 C ATOM 137 C SER A 9 -27.643 0.898 -0.069 1.00 0.00 C ATOM 138 O SER A 9 -28.157 0.766 1.044 1.00 0.00 O ATOM 139 CB SER A 9 -28.471 2.905 -1.329 1.00 0.00 C ATOM 140 OG SER A 9 -29.283 3.354 -2.402 1.00 0.00 O ATOM 0 H SER A 9 -30.504 1.594 -0.801 1.00 0.00 H new ATOM 0 HA SER A 9 -28.043 0.996 -2.171 1.00 0.00 H new ATOM 0 HB2 SER A 9 -28.835 3.325 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 9 -27.451 3.264 -1.464 1.00 0.00 H new ATOM 0 HG SER A 9 -29.268 4.333 -2.436 1.00 0.00 H new ATOM 146 N HIS A 10 -26.374 0.617 -0.305 1.00 0.00 N ATOM 147 CA HIS A 10 -25.524 0.062 0.735 1.00 0.00 C ATOM 148 C HIS A 10 -25.036 1.169 1.658 1.00 0.00 C ATOM 149 O HIS A 10 -25.576 1.369 2.747 1.00 0.00 O ATOM 150 CB HIS A 10 -24.330 -0.685 0.128 1.00 0.00 C ATOM 151 CG HIS A 10 -24.717 -1.842 -0.746 1.00 0.00 C ATOM 152 ND1 HIS A 10 -24.636 -3.155 -0.342 1.00 0.00 N ATOM 153 CD2 HIS A 10 -25.182 -1.873 -2.017 1.00 0.00 C ATOM 154 CE1 HIS A 10 -25.032 -3.941 -1.326 1.00 0.00 C ATOM 155 NE2 HIS A 10 -25.372 -3.188 -2.355 1.00 0.00 N ATOM 0 H HIS A 10 -25.911 0.763 -1.202 1.00 0.00 H new ATOM 0 HA HIS A 10 -26.113 -0.650 1.313 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -23.735 0.016 -0.457 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -23.693 -1.049 0.935 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -25.369 -1.018 -2.649 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -25.071 -5.020 -1.294 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -25.718 -3.528 -3.252 1.00 0.00 H new ATOM 164 N ALA A 11 -24.041 1.911 1.194 1.00 0.00 N ATOM 165 CA ALA A 11 -23.444 2.983 1.974 1.00 0.00 C ATOM 166 C ALA A 11 -22.478 3.775 1.111 1.00 0.00 C ATOM 167 O ALA A 11 -22.303 3.474 -0.071 1.00 0.00 O ATOM 168 CB ALA A 11 -22.717 2.425 3.193 1.00 0.00 C ATOM 0 H ALA A 11 -23.627 1.787 0.270 1.00 0.00 H new ATOM 0 HA ALA A 11 -24.240 3.642 2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -22.278 3.245 3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -23.424 1.884 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -21.929 1.746 2.867 1.00 0.00 H new ATOM 174 N ALA A 12 -21.837 4.770 1.709 1.00 0.00 N ATOM 175 CA ALA A 12 -20.847 5.579 1.011 1.00 0.00 C ATOM 176 C ALA A 12 -19.490 4.885 1.005 1.00 0.00 C ATOM 177 O ALA A 12 -18.447 5.525 0.860 1.00 0.00 O ATOM 178 CB ALA A 12 -20.743 6.957 1.651 1.00 0.00 C ATOM 0 H ALA A 12 -21.986 5.037 2.682 1.00 0.00 H new ATOM 0 HA ALA A 12 -21.169 5.701 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.999 7.550 1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -21.711 7.456 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.445 6.852 2.694 1.00 0.00 H new ATOM 184 N VAL A 13 -19.514 3.568 1.150 1.00 0.00 N ATOM 185 CA VAL A 13 -18.298 2.776 1.143 1.00 0.00 C ATOM 186 C VAL A 13 -17.725 2.691 -0.266 1.00 0.00 C ATOM 187 O VAL A 13 -18.314 2.093 -1.171 1.00 0.00 O ATOM 188 CB VAL A 13 -18.523 1.356 1.720 1.00 0.00 C ATOM 189 CG1 VAL A 13 -19.705 0.667 1.051 1.00 0.00 C ATOM 190 CG2 VAL A 13 -17.259 0.517 1.581 1.00 0.00 C ATOM 0 H VAL A 13 -20.369 3.025 1.274 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.580 3.280 1.790 1.00 0.00 H new ATOM 0 HB VAL A 13 -18.756 1.458 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -19.836 -0.327 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -20.609 1.254 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -19.517 0.580 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -17.435 -0.477 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -16.992 0.433 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.444 0.995 2.124 1.00 0.00 H new ATOM 200 N ARG A 14 -16.585 3.328 -0.450 1.00 0.00 N ATOM 201 CA ARG A 14 -15.912 3.332 -1.727 1.00 0.00 C ATOM 202 C ARG A 14 -14.452 3.011 -1.531 1.00 0.00 C ATOM 203 O ARG A 14 -13.896 3.239 -0.456 1.00 0.00 O ATOM 204 CB ARG A 14 -16.054 4.683 -2.414 1.00 0.00 C ATOM 205 CG ARG A 14 -17.491 5.126 -2.581 1.00 0.00 C ATOM 206 CD ARG A 14 -17.589 6.260 -3.569 1.00 0.00 C ATOM 207 NE ARG A 14 -18.910 6.882 -3.568 1.00 0.00 N ATOM 208 CZ ARG A 14 -19.124 8.176 -3.793 1.00 0.00 C ATOM 209 NH1 ARG A 14 -18.106 8.985 -4.079 1.00 0.00 N ATOM 210 NH2 ARG A 14 -20.356 8.662 -3.736 1.00 0.00 N ATOM 0 H ARG A 14 -16.104 3.854 0.280 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.373 2.575 -2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -15.515 5.434 -1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.580 4.635 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -18.098 4.287 -2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -17.894 5.440 -1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -16.836 7.011 -3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -17.365 5.888 -4.569 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.719 6.288 -3.383 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -17.157 8.614 -4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.275 9.976 -4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -21.138 8.044 -3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -20.522 9.654 -3.908 1.00 0.00 H new ATOM 224 N LYS A 15 -13.841 2.478 -2.559 1.00 0.00 N ATOM 225 CA LYS A 15 -12.443 2.118 -2.497 1.00 0.00 C ATOM 226 C LYS A 15 -11.598 3.327 -2.823 1.00 0.00 C ATOM 227 O LYS A 15 -12.030 4.222 -3.552 1.00 0.00 O ATOM 228 CB LYS A 15 -12.138 0.989 -3.469 1.00 0.00 C ATOM 229 CG LYS A 15 -13.251 -0.028 -3.547 1.00 0.00 C ATOM 230 CD LYS A 15 -13.627 -0.578 -2.183 1.00 0.00 C ATOM 231 CE LYS A 15 -12.781 -1.776 -1.815 1.00 0.00 C ATOM 232 NZ LYS A 15 -13.140 -2.971 -2.624 1.00 0.00 N ATOM 0 H LYS A 15 -14.290 2.282 -3.454 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.210 1.773 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.962 1.406 -4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.217 0.491 -3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.127 0.430 -4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.945 -0.849 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.505 0.200 -1.430 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.680 -0.861 -2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.728 -1.538 -1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.909 -2.001 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.792 -3.829 -2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.174 -3.025 -2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.705 -2.896 -3.566 1.00 0.00 H new ATOM 246 N ILE A 16 -10.404 3.354 -2.289 1.00 0.00 N ATOM 247 CA ILE A 16 -9.513 4.473 -2.514 1.00 0.00 C ATOM 248 C ILE A 16 -8.473 4.110 -3.556 1.00 0.00 C ATOM 249 O ILE A 16 -8.004 2.971 -3.624 1.00 0.00 O ATOM 250 CB ILE A 16 -8.816 4.953 -1.220 1.00 0.00 C ATOM 251 CG1 ILE A 16 -8.016 3.824 -0.567 1.00 0.00 C ATOM 252 CG2 ILE A 16 -9.844 5.517 -0.249 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.207 4.275 0.631 1.00 0.00 C ATOM 0 H ILE A 16 -10.023 2.617 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.127 5.299 -2.873 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.113 5.743 -1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.701 3.035 -0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.344 3.390 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.342 5.852 0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.357 6.360 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.570 4.744 0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.665 3.425 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.497 5.043 0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.876 4.683 1.389 1.00 0.00 H new ATOM 265 N HIS A 17 -8.144 5.075 -4.388 1.00 0.00 N ATOM 266 CA HIS A 17 -7.199 4.862 -5.465 1.00 0.00 C ATOM 267 C HIS A 17 -5.816 5.337 -5.052 1.00 0.00 C ATOM 268 O HIS A 17 -5.525 6.531 -5.078 1.00 0.00 O ATOM 269 CB HIS A 17 -7.677 5.582 -6.731 1.00 0.00 C ATOM 270 CG HIS A 17 -8.994 5.067 -7.230 1.00 0.00 C ATOM 271 ND1 HIS A 17 -10.197 5.690 -6.980 1.00 0.00 N ATOM 272 CD2 HIS A 17 -9.292 3.964 -7.951 1.00 0.00 C ATOM 273 CE1 HIS A 17 -11.175 4.991 -7.524 1.00 0.00 C ATOM 274 NE2 HIS A 17 -10.657 3.935 -8.120 1.00 0.00 N ATOM 0 H HIS A 17 -8.520 6.022 -4.339 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.137 3.796 -5.682 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.763 6.649 -6.526 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.927 5.468 -7.514 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -10.314 6.557 -6.456 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.587 3.237 -8.326 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -12.225 5.242 -7.487 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -11.180 3.217 -8.622 1.00 0.00 H new ATOM 283 N VAL A 18 -4.985 4.396 -4.633 1.00 0.00 N ATOM 284 CA VAL A 18 -3.632 4.707 -4.197 1.00 0.00 C ATOM 285 C VAL A 18 -2.656 4.594 -5.358 1.00 0.00 C ATOM 286 O VAL A 18 -2.790 3.716 -6.211 1.00 0.00 O ATOM 287 CB VAL A 18 -3.170 3.776 -3.057 1.00 0.00 C ATOM 288 CG1 VAL A 18 -4.065 3.932 -1.838 1.00 0.00 C ATOM 289 CG2 VAL A 18 -3.147 2.330 -3.527 1.00 0.00 C ATOM 0 H VAL A 18 -5.225 3.406 -4.585 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.645 5.731 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.157 4.060 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.721 3.266 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.026 4.963 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.091 3.678 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.819 1.687 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.148 2.034 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.458 2.231 -4.366 1.00 0.00 H new ATOM 299 N THR A 19 -1.680 5.479 -5.393 1.00 0.00 N ATOM 300 CA THR A 19 -0.691 5.465 -6.453 1.00 0.00 C ATOM 301 C THR A 19 0.585 4.799 -5.969 1.00 0.00 C ATOM 302 O THR A 19 1.281 5.328 -5.106 1.00 0.00 O ATOM 303 CB THR A 19 -0.371 6.886 -6.941 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.587 7.546 -7.317 1.00 0.00 O ATOM 305 CG2 THR A 19 0.587 6.855 -8.126 1.00 0.00 C ATOM 0 H THR A 19 -1.550 6.217 -4.700 1.00 0.00 H new ATOM 0 HA THR A 19 -1.108 4.900 -7.287 1.00 0.00 H new ATOM 0 HB THR A 19 0.110 7.431 -6.129 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.384 8.453 -7.627 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.797 7.874 -8.451 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.517 6.370 -7.829 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.133 6.298 -8.946 1.00 0.00 H new ATOM 313 N VAL A 20 0.879 3.635 -6.515 1.00 0.00 N ATOM 314 CA VAL A 20 2.048 2.883 -6.108 1.00 0.00 C ATOM 315 C VAL A 20 3.262 3.282 -6.937 1.00 0.00 C ATOM 316 O VAL A 20 3.293 3.089 -8.158 1.00 0.00 O ATOM 317 CB VAL A 20 1.808 1.364 -6.226 1.00 0.00 C ATOM 318 CG1 VAL A 20 3.030 0.588 -5.768 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.585 0.956 -5.422 1.00 0.00 C ATOM 0 H VAL A 20 0.322 3.189 -7.244 1.00 0.00 H new ATOM 0 HA VAL A 20 2.240 3.119 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 20 1.628 1.127 -7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.838 -0.481 -5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.885 0.858 -6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.245 0.830 -4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.430 -0.119 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.738 1.210 -4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.291 1.484 -5.799 1.00 0.00 H new ATOM 329 N LYS A 21 4.243 3.862 -6.257 1.00 0.00 N ATOM 330 CA LYS A 21 5.511 4.225 -6.869 1.00 0.00 C ATOM 331 C LYS A 21 6.492 3.066 -6.752 1.00 0.00 C ATOM 332 O LYS A 21 7.047 2.816 -5.678 1.00 0.00 O ATOM 333 CB LYS A 21 6.100 5.469 -6.193 1.00 0.00 C ATOM 334 CG LYS A 21 5.645 6.796 -6.785 1.00 0.00 C ATOM 335 CD LYS A 21 6.229 7.008 -8.173 1.00 0.00 C ATOM 336 CE LYS A 21 6.242 8.479 -8.570 1.00 0.00 C ATOM 337 NZ LYS A 21 4.878 9.046 -8.736 1.00 0.00 N ATOM 0 H LYS A 21 4.180 4.093 -5.266 1.00 0.00 H new ATOM 0 HA LYS A 21 5.336 4.449 -7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.836 5.450 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.187 5.416 -6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.557 6.819 -6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.950 7.613 -6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.246 6.616 -8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.648 6.441 -8.901 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.777 9.050 -7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.793 8.593 -9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.945 9.990 -9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.316 8.424 -9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.418 9.121 -7.806 1.00 0.00 H new ATOM 351 N PHE A 22 6.674 2.347 -7.846 1.00 0.00 N ATOM 352 CA PHE A 22 7.600 1.229 -7.890 1.00 0.00 C ATOM 353 C PHE A 22 8.748 1.550 -8.841 1.00 0.00 C ATOM 354 O PHE A 22 8.565 2.274 -9.819 1.00 0.00 O ATOM 355 CB PHE A 22 6.872 -0.034 -8.366 1.00 0.00 C ATOM 356 CG PHE A 22 6.886 -1.172 -7.386 1.00 0.00 C ATOM 357 CD1 PHE A 22 7.923 -2.087 -7.380 1.00 0.00 C ATOM 358 CD2 PHE A 22 5.853 -1.335 -6.481 1.00 0.00 C ATOM 359 CE1 PHE A 22 7.934 -3.139 -6.488 1.00 0.00 C ATOM 360 CE2 PHE A 22 5.856 -2.388 -5.588 1.00 0.00 C ATOM 361 CZ PHE A 22 6.898 -3.292 -5.591 1.00 0.00 C ATOM 0 H PHE A 22 6.186 2.521 -8.725 1.00 0.00 H new ATOM 0 HA PHE A 22 7.998 1.056 -6.890 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.837 0.222 -8.590 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.326 -0.369 -9.298 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.735 -1.976 -8.083 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.034 -0.630 -6.473 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.754 -3.842 -6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.043 -2.504 -4.887 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.902 -4.116 -4.893 1.00 0.00 H new ATOM 371 N PRO A 23 9.952 1.040 -8.563 1.00 0.00 N ATOM 372 CA PRO A 23 11.098 1.199 -9.465 1.00 0.00 C ATOM 373 C PRO A 23 10.919 0.413 -10.764 1.00 0.00 C ATOM 374 O PRO A 23 11.643 0.621 -11.735 1.00 0.00 O ATOM 375 CB PRO A 23 12.271 0.641 -8.656 1.00 0.00 C ATOM 376 CG PRO A 23 11.648 -0.290 -7.673 1.00 0.00 C ATOM 377 CD PRO A 23 10.307 0.300 -7.340 1.00 0.00 C ATOM 0 HA PRO A 23 11.236 2.235 -9.773 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.982 0.121 -9.298 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.819 1.438 -8.153 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.541 -1.289 -8.095 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.265 -0.385 -6.780 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.573 -0.472 -7.109 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.361 0.958 -6.473 1.00 0.00 H new ATOM 385 N SER A 24 9.948 -0.489 -10.771 1.00 0.00 N ATOM 386 CA SER A 24 9.673 -1.310 -11.938 1.00 0.00 C ATOM 387 C SER A 24 8.546 -0.720 -12.782 1.00 0.00 C ATOM 388 O SER A 24 8.528 -0.876 -14.005 1.00 0.00 O ATOM 389 CB SER A 24 9.313 -2.720 -11.483 1.00 0.00 C ATOM 390 OG SER A 24 8.405 -2.672 -10.395 1.00 0.00 O ATOM 0 H SER A 24 9.335 -0.670 -9.976 1.00 0.00 H new ATOM 0 HA SER A 24 10.566 -1.340 -12.562 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.870 -3.274 -12.311 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.216 -3.255 -11.188 1.00 0.00 H new ATOM 0 HG SER A 24 8.424 -3.526 -9.915 1.00 0.00 H new ATOM 396 N LYS A 25 7.612 -0.036 -12.129 1.00 0.00 N ATOM 397 CA LYS A 25 6.445 0.514 -12.805 1.00 0.00 C ATOM 398 C LYS A 25 5.679 1.443 -11.872 1.00 0.00 C ATOM 399 O LYS A 25 6.007 1.565 -10.698 1.00 0.00 O ATOM 400 CB LYS A 25 5.514 -0.615 -13.265 1.00 0.00 C ATOM 401 CG LYS A 25 4.971 -1.448 -12.111 1.00 0.00 C ATOM 402 CD LYS A 25 4.069 -2.586 -12.580 1.00 0.00 C ATOM 403 CE LYS A 25 4.853 -3.731 -13.208 1.00 0.00 C ATOM 404 NZ LYS A 25 5.321 -3.411 -14.579 1.00 0.00 N ATOM 0 H LYS A 25 7.642 0.151 -11.127 1.00 0.00 H new ATOM 0 HA LYS A 25 6.790 1.077 -13.673 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.680 -0.187 -13.820 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.054 -1.266 -13.953 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.804 -1.861 -11.543 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.412 -0.802 -11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.496 -2.964 -11.733 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.351 -2.201 -13.304 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.712 -3.967 -12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.226 -4.622 -13.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.170 -4.233 -15.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.788 -2.597 -14.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.334 -3.178 -14.554 1.00 0.00 H new ATOM 418 N GLN A 26 4.658 2.089 -12.398 1.00 0.00 N ATOM 419 CA GLN A 26 3.767 2.896 -11.582 1.00 0.00 C ATOM 420 C GLN A 26 2.334 2.496 -11.869 1.00 0.00 C ATOM 421 O GLN A 26 1.928 2.419 -13.028 1.00 0.00 O ATOM 422 CB GLN A 26 3.958 4.388 -11.855 1.00 0.00 C ATOM 423 CG GLN A 26 3.055 5.277 -11.013 1.00 0.00 C ATOM 424 CD GLN A 26 3.259 6.748 -11.300 1.00 0.00 C ATOM 425 OE1 GLN A 26 4.095 7.398 -10.679 1.00 0.00 O ATOM 426 NE2 GLN A 26 2.503 7.285 -12.240 1.00 0.00 N ATOM 0 H GLN A 26 4.422 2.072 -13.390 1.00 0.00 H new ATOM 0 HA GLN A 26 4.001 2.719 -10.532 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.998 4.654 -11.664 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.767 4.584 -12.910 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.014 5.014 -11.202 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.246 5.086 -9.957 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.819 6.712 -12.734 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.603 8.273 -12.472 1.00 0.00 H new ATOM 435 N PHE A 27 1.575 2.227 -10.824 1.00 0.00 N ATOM 436 CA PHE A 27 0.205 1.780 -11.001 1.00 0.00 C ATOM 437 C PHE A 27 -0.675 2.226 -9.850 1.00 0.00 C ATOM 438 O PHE A 27 -0.199 2.499 -8.751 1.00 0.00 O ATOM 439 CB PHE A 27 0.144 0.254 -11.166 1.00 0.00 C ATOM 440 CG PHE A 27 0.791 -0.523 -10.051 1.00 0.00 C ATOM 441 CD1 PHE A 27 2.151 -0.788 -10.073 1.00 0.00 C ATOM 442 CD2 PHE A 27 0.039 -1.001 -8.993 1.00 0.00 C ATOM 443 CE1 PHE A 27 2.747 -1.514 -9.060 1.00 0.00 C ATOM 444 CE2 PHE A 27 0.629 -1.726 -7.976 1.00 0.00 C ATOM 445 CZ PHE A 27 1.985 -1.983 -8.010 1.00 0.00 C ATOM 0 H PHE A 27 1.878 2.309 -9.854 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.176 2.241 -11.912 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.900 -0.048 -11.244 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.625 -0.016 -12.106 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.752 -0.422 -10.892 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.023 -0.805 -8.962 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.808 -1.714 -9.090 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.030 -2.091 -7.155 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.448 -2.550 -7.216 1.00 0.00 H new ATOM 455 N THR A 28 -1.961 2.309 -10.125 1.00 0.00 N ATOM 456 CA THR A 28 -2.940 2.672 -9.125 1.00 0.00 C ATOM 457 C THR A 28 -3.702 1.427 -8.693 1.00 0.00 C ATOM 458 O THR A 28 -4.075 0.599 -9.529 1.00 0.00 O ATOM 459 CB THR A 28 -3.936 3.700 -9.680 1.00 0.00 C ATOM 460 OG1 THR A 28 -3.253 4.623 -10.543 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.623 4.467 -8.562 1.00 0.00 C ATOM 0 H THR A 28 -2.355 2.126 -11.048 1.00 0.00 H new ATOM 0 HA THR A 28 -2.419 3.113 -8.275 1.00 0.00 H new ATOM 0 HB THR A 28 -4.697 3.159 -10.242 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.893 5.276 -10.896 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.321 5.186 -8.990 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.166 3.770 -7.923 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.875 4.995 -7.970 1.00 0.00 H new ATOM 469 N VAL A 29 -3.923 1.286 -7.402 1.00 0.00 N ATOM 470 CA VAL A 29 -4.629 0.124 -6.879 1.00 0.00 C ATOM 471 C VAL A 29 -5.892 0.556 -6.155 1.00 0.00 C ATOM 472 O VAL A 29 -5.881 1.533 -5.401 1.00 0.00 O ATOM 473 CB VAL A 29 -3.753 -0.700 -5.905 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.435 -2.011 -5.528 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.384 -0.970 -6.503 1.00 0.00 C ATOM 0 H VAL A 29 -3.627 1.957 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.879 -0.505 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.623 -0.110 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.797 -2.569 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.389 -1.799 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.608 -2.603 -6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.788 -1.551 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.497 -1.530 -7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.884 -0.024 -6.708 1.00 0.00 H new ATOM 485 N GLU A 30 -6.984 -0.149 -6.406 1.00 0.00 N ATOM 486 CA GLU A 30 -8.214 0.095 -5.680 1.00 0.00 C ATOM 487 C GLU A 30 -8.266 -0.772 -4.451 1.00 0.00 C ATOM 488 O GLU A 30 -8.413 -1.992 -4.532 1.00 0.00 O ATOM 489 CB GLU A 30 -9.437 -0.163 -6.544 1.00 0.00 C ATOM 490 CG GLU A 30 -9.498 0.754 -7.743 1.00 0.00 C ATOM 491 CD GLU A 30 -10.743 0.567 -8.578 1.00 0.00 C ATOM 492 OE1 GLU A 30 -10.759 -0.345 -9.431 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.699 1.357 -8.403 1.00 0.00 O ATOM 0 H GLU A 30 -7.041 -0.891 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.225 1.145 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.428 -1.199 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.337 -0.032 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.449 1.788 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.621 0.582 -8.368 1.00 0.00 H new ATOM 500 N VAL A 31 -8.114 -0.141 -3.320 1.00 0.00 N ATOM 501 CA VAL A 31 -8.192 -0.844 -2.060 1.00 0.00 C ATOM 502 C VAL A 31 -9.194 -0.157 -1.150 1.00 0.00 C ATOM 503 O VAL A 31 -9.501 1.022 -1.327 1.00 0.00 O ATOM 504 CB VAL A 31 -6.819 -0.934 -1.353 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.771 -1.553 -2.264 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.365 0.433 -0.862 1.00 0.00 C ATOM 0 H VAL A 31 -7.935 0.860 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.517 -1.862 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.937 -1.583 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.817 -1.603 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.083 -2.558 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.661 -0.942 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.397 0.340 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.277 1.113 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.096 0.827 -0.155 1.00 0.00 H new ATOM 516 N ASP A 32 -9.733 -0.905 -0.215 1.00 0.00 N ATOM 517 CA ASP A 32 -10.632 -0.349 0.785 1.00 0.00 C ATOM 518 C ASP A 32 -9.862 0.607 1.697 1.00 0.00 C ATOM 519 O ASP A 32 -8.677 0.415 1.946 1.00 0.00 O ATOM 520 CB ASP A 32 -11.264 -1.487 1.594 1.00 0.00 C ATOM 521 CG ASP A 32 -12.136 -1.000 2.727 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.895 -0.030 2.532 1.00 0.00 O ATOM 523 OD2 ASP A 32 -12.054 -1.582 3.827 1.00 0.00 O ATOM 0 H ASP A 32 -9.567 -1.907 -0.121 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.428 0.212 0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.860 -2.110 0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.473 -2.119 1.999 1.00 0.00 H new ATOM 528 N ARG A 33 -10.518 1.652 2.176 1.00 0.00 N ATOM 529 CA ARG A 33 -9.848 2.612 3.048 1.00 0.00 C ATOM 530 C ARG A 33 -9.683 2.041 4.452 1.00 0.00 C ATOM 531 O ARG A 33 -8.783 2.431 5.195 1.00 0.00 O ATOM 532 CB ARG A 33 -10.595 3.944 3.087 1.00 0.00 C ATOM 533 CG ARG A 33 -12.069 3.818 3.414 1.00 0.00 C ATOM 534 CD ARG A 33 -12.745 5.175 3.406 1.00 0.00 C ATOM 535 NE ARG A 33 -14.174 5.089 3.683 1.00 0.00 N ATOM 536 CZ ARG A 33 -14.957 6.158 3.816 1.00 0.00 C ATOM 537 NH1 ARG A 33 -14.431 7.379 3.731 1.00 0.00 N ATOM 538 NH2 ARG A 33 -16.256 6.011 4.035 1.00 0.00 N ATOM 0 H ARG A 33 -11.498 1.858 1.982 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.857 2.801 2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.124 4.591 3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.489 4.436 2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.551 3.163 2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.190 3.353 4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.272 5.817 4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.594 5.647 2.435 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.595 4.165 3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.431 7.493 3.564 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.028 8.200 3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.659 5.077 4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.852 6.832 4.136 1.00 0.00 H new ATOM 552 N THR A 34 -10.550 1.107 4.808 1.00 0.00 N ATOM 553 CA THR A 34 -10.442 0.413 6.078 1.00 0.00 C ATOM 554 C THR A 34 -9.651 -0.885 5.917 1.00 0.00 C ATOM 555 O THR A 34 -9.640 -1.744 6.799 1.00 0.00 O ATOM 556 CB THR A 34 -11.833 0.136 6.678 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.806 0.018 5.634 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.237 1.256 7.624 1.00 0.00 C ATOM 0 H THR A 34 -11.339 0.812 4.232 1.00 0.00 H new ATOM 0 HA THR A 34 -9.902 1.059 6.771 1.00 0.00 H new ATOM 0 HB THR A 34 -11.786 -0.800 7.235 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.670 -0.826 5.154 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.222 1.044 8.039 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.510 1.329 8.433 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.268 2.199 7.079 1.00 0.00 H new ATOM 566 N GLU A 35 -8.973 -0.997 4.782 1.00 0.00 N ATOM 567 CA GLU A 35 -8.117 -2.138 4.485 1.00 0.00 C ATOM 568 C GLU A 35 -6.847 -2.071 5.333 1.00 0.00 C ATOM 569 O GLU A 35 -6.373 -0.983 5.664 1.00 0.00 O ATOM 570 CB GLU A 35 -7.786 -2.124 2.988 1.00 0.00 C ATOM 571 CG GLU A 35 -6.954 -3.288 2.488 1.00 0.00 C ATOM 572 CD GLU A 35 -7.122 -3.494 0.999 1.00 0.00 C ATOM 573 OE1 GLU A 35 -8.271 -3.400 0.508 1.00 0.00 O ATOM 574 OE2 GLU A 35 -6.120 -3.744 0.303 1.00 0.00 O ATOM 0 H GLU A 35 -9.001 -0.298 4.040 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.629 -3.069 4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.721 -2.103 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.257 -1.199 2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.903 -3.109 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.243 -4.196 3.016 1.00 0.00 H new ATOM 581 N THR A 36 -6.321 -3.226 5.712 1.00 0.00 N ATOM 582 CA THR A 36 -5.125 -3.282 6.540 1.00 0.00 C ATOM 583 C THR A 36 -3.863 -3.291 5.683 1.00 0.00 C ATOM 584 O THR A 36 -3.915 -3.608 4.492 1.00 0.00 O ATOM 585 CB THR A 36 -5.143 -4.528 7.449 1.00 0.00 C ATOM 586 OG1 THR A 36 -5.512 -5.685 6.685 1.00 0.00 O ATOM 587 CG2 THR A 36 -6.116 -4.344 8.602 1.00 0.00 C ATOM 0 H THR A 36 -6.703 -4.137 5.460 1.00 0.00 H new ATOM 0 HA THR A 36 -5.118 -2.388 7.164 1.00 0.00 H new ATOM 0 HB THR A 36 -4.143 -4.666 7.859 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.750 -6.298 6.631 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.111 -5.236 9.229 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.816 -3.481 9.197 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.120 -4.183 8.209 1.00 0.00 H new ATOM 595 N VAL A 37 -2.732 -2.948 6.295 1.00 0.00 N ATOM 596 CA VAL A 37 -1.450 -2.916 5.595 1.00 0.00 C ATOM 597 C VAL A 37 -1.117 -4.290 5.015 1.00 0.00 C ATOM 598 O VAL A 37 -0.522 -4.400 3.938 1.00 0.00 O ATOM 599 CB VAL A 37 -0.312 -2.459 6.534 1.00 0.00 C ATOM 600 CG1 VAL A 37 1.019 -2.391 5.801 1.00 0.00 C ATOM 601 CG2 VAL A 37 -0.646 -1.114 7.152 1.00 0.00 C ATOM 0 H VAL A 37 -2.678 -2.687 7.280 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.539 -2.197 4.781 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.217 -3.199 7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.798 -2.066 6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.269 -3.377 5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.945 -1.681 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.165 -0.805 7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.775 -0.373 6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.569 -1.197 7.726 1.00 0.00 H new ATOM 611 N SER A 38 -1.520 -5.331 5.734 1.00 0.00 N ATOM 612 CA SER A 38 -1.341 -6.706 5.288 1.00 0.00 C ATOM 613 C SER A 38 -1.946 -6.927 3.904 1.00 0.00 C ATOM 614 O SER A 38 -1.299 -7.483 3.011 1.00 0.00 O ATOM 615 CB SER A 38 -1.988 -7.655 6.298 1.00 0.00 C ATOM 616 OG SER A 38 -3.328 -7.272 6.575 1.00 0.00 O ATOM 0 H SER A 38 -1.979 -5.245 6.641 1.00 0.00 H new ATOM 0 HA SER A 38 -0.272 -6.909 5.220 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.971 -8.673 5.908 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.409 -7.658 7.222 1.00 0.00 H new ATOM 0 HG SER A 38 -3.719 -7.895 7.222 1.00 0.00 H new ATOM 622 N SER A 39 -3.177 -6.466 3.723 1.00 0.00 N ATOM 623 CA SER A 39 -3.898 -6.687 2.485 1.00 0.00 C ATOM 624 C SER A 39 -3.373 -5.769 1.395 1.00 0.00 C ATOM 625 O SER A 39 -3.399 -6.116 0.217 1.00 0.00 O ATOM 626 CB SER A 39 -5.395 -6.468 2.708 1.00 0.00 C ATOM 627 OG SER A 39 -5.866 -7.286 3.769 1.00 0.00 O ATOM 0 H SER A 39 -3.695 -5.935 4.423 1.00 0.00 H new ATOM 0 HA SER A 39 -3.743 -7.716 2.162 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.585 -5.420 2.938 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.942 -6.698 1.794 1.00 0.00 H new ATOM 0 HG SER A 39 -5.758 -6.812 4.620 1.00 0.00 H new ATOM 633 N LEU A 40 -2.869 -4.611 1.803 1.00 0.00 N ATOM 634 CA LEU A 40 -2.294 -3.661 0.868 1.00 0.00 C ATOM 635 C LEU A 40 -1.091 -4.284 0.169 1.00 0.00 C ATOM 636 O LEU A 40 -0.951 -4.201 -1.054 1.00 0.00 O ATOM 637 CB LEU A 40 -1.864 -2.391 1.596 1.00 0.00 C ATOM 638 CG LEU A 40 -1.758 -1.161 0.705 1.00 0.00 C ATOM 639 CD1 LEU A 40 -3.136 -0.792 0.186 1.00 0.00 C ATOM 640 CD2 LEU A 40 -1.126 -0.001 1.457 1.00 0.00 C ATOM 0 H LEU A 40 -2.848 -4.310 2.777 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.050 -3.403 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.577 -2.186 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.898 -2.567 2.068 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.113 -1.389 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.061 0.089 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.543 -1.623 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.795 -0.576 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.061 0.866 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.737 0.246 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.126 -0.283 1.786 1.00 0.00 H new ATOM 652 N LYS A 41 -0.232 -4.917 0.962 1.00 0.00 N ATOM 653 CA LYS A 41 0.926 -5.633 0.441 1.00 0.00 C ATOM 654 C LYS A 41 0.484 -6.734 -0.512 1.00 0.00 C ATOM 655 O LYS A 41 1.091 -6.946 -1.566 1.00 0.00 O ATOM 656 CB LYS A 41 1.731 -6.247 1.586 1.00 0.00 C ATOM 657 CG LYS A 41 2.389 -5.229 2.498 1.00 0.00 C ATOM 658 CD LYS A 41 2.972 -5.898 3.728 1.00 0.00 C ATOM 659 CE LYS A 41 3.658 -4.900 4.640 1.00 0.00 C ATOM 660 NZ LYS A 41 4.151 -5.548 5.882 1.00 0.00 N ATOM 0 H LYS A 41 -0.319 -4.948 1.978 1.00 0.00 H new ATOM 0 HA LYS A 41 1.552 -4.922 -0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.072 -6.879 2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.501 -6.895 1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.177 -4.706 1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.658 -4.479 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.178 -6.406 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.687 -6.662 3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.493 -4.438 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.962 -4.101 4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.477 -4.819 6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.381 -6.096 6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.941 -6.184 5.652 1.00 0.00 H new ATOM 674 N ASP A 42 -0.578 -7.433 -0.128 1.00 0.00 N ATOM 675 CA ASP A 42 -1.133 -8.512 -0.940 1.00 0.00 C ATOM 676 C ASP A 42 -1.562 -7.993 -2.311 1.00 0.00 C ATOM 677 O ASP A 42 -1.240 -8.597 -3.337 1.00 0.00 O ATOM 678 CB ASP A 42 -2.321 -9.159 -0.221 1.00 0.00 C ATOM 679 CG ASP A 42 -2.983 -10.252 -1.039 1.00 0.00 C ATOM 680 OD1 ASP A 42 -2.403 -11.355 -1.156 1.00 0.00 O ATOM 681 OD2 ASP A 42 -4.093 -10.023 -1.551 1.00 0.00 O ATOM 0 H ASP A 42 -1.076 -7.271 0.747 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.358 -9.264 -1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.982 -9.577 0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.058 -8.392 0.015 1.00 0.00 H new ATOM 686 N LYS A 43 -2.259 -6.859 -2.312 1.00 0.00 N ATOM 687 CA LYS A 43 -2.727 -6.229 -3.547 1.00 0.00 C ATOM 688 C LYS A 43 -1.564 -5.956 -4.491 1.00 0.00 C ATOM 689 O LYS A 43 -1.593 -6.335 -5.664 1.00 0.00 O ATOM 690 CB LYS A 43 -3.420 -4.901 -3.240 1.00 0.00 C ATOM 691 CG LYS A 43 -4.657 -5.019 -2.367 1.00 0.00 C ATOM 692 CD LYS A 43 -5.790 -5.729 -3.085 1.00 0.00 C ATOM 693 CE LYS A 43 -7.055 -5.728 -2.248 1.00 0.00 C ATOM 694 NZ LYS A 43 -7.502 -4.354 -1.921 1.00 0.00 N ATOM 0 H LYS A 43 -2.515 -6.353 -1.464 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.429 -6.916 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.707 -4.239 -2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.699 -4.426 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.408 -5.562 -1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.985 -4.024 -2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.982 -5.240 -4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.498 -6.756 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.847 -6.248 -2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.880 -6.282 -1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.378 -4.398 -1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.764 -3.871 -1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.678 -3.828 -2.801 1.00 0.00 H new ATOM 708 N ILE A 44 -0.539 -5.300 -3.959 1.00 0.00 N ATOM 709 CA ILE A 44 0.616 -4.899 -4.747 1.00 0.00 C ATOM 710 C ILE A 44 1.327 -6.112 -5.340 1.00 0.00 C ATOM 711 O ILE A 44 1.717 -6.100 -6.504 1.00 0.00 O ATOM 712 CB ILE A 44 1.606 -4.076 -3.895 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.905 -2.831 -3.344 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.825 -3.683 -4.716 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.783 -1.973 -2.461 1.00 0.00 C ATOM 0 H ILE A 44 -0.487 -5.034 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 44 0.253 -4.276 -5.564 1.00 0.00 H new ATOM 0 HB ILE A 44 1.946 -4.690 -3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.547 -2.228 -4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.028 -3.141 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.510 -3.104 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.329 -4.582 -5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.511 -3.082 -5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.215 -1.111 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.121 -2.558 -1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.647 -1.631 -3.030 1.00 0.00 H new ATOM 727 N HIS A 45 1.459 -7.167 -4.544 1.00 0.00 N ATOM 728 CA HIS A 45 2.134 -8.387 -4.987 1.00 0.00 C ATOM 729 C HIS A 45 1.376 -9.066 -6.129 1.00 0.00 C ATOM 730 O HIS A 45 1.967 -9.768 -6.943 1.00 0.00 O ATOM 731 CB HIS A 45 2.306 -9.363 -3.824 1.00 0.00 C ATOM 732 CG HIS A 45 3.019 -10.626 -4.205 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.314 -10.646 -4.685 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.606 -11.914 -4.191 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.662 -11.891 -4.946 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.647 -12.680 -4.654 1.00 0.00 N ATOM 0 H HIS A 45 1.108 -7.205 -3.587 1.00 0.00 H new ATOM 0 HA HIS A 45 3.118 -8.097 -5.357 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.859 -8.870 -3.025 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.324 -9.616 -3.424 1.00 0.00 H new ATOM 0 HD1 HIS A 45 4.908 -9.827 -4.817 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.638 -12.273 -3.875 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.618 -12.211 -5.334 1.00 0.00 H new ATOM 745 N ILE A 46 0.068 -8.893 -6.160 1.00 0.00 N ATOM 746 CA ILE A 46 -0.742 -9.471 -7.222 1.00 0.00 C ATOM 747 C ILE A 46 -0.538 -8.703 -8.527 1.00 0.00 C ATOM 748 O ILE A 46 -0.515 -9.290 -9.614 1.00 0.00 O ATOM 749 CB ILE A 46 -2.235 -9.482 -6.828 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.420 -10.340 -5.578 1.00 0.00 C ATOM 751 CG2 ILE A 46 -3.098 -10.007 -7.972 1.00 0.00 C ATOM 752 CD1 ILE A 46 -3.789 -10.234 -4.954 1.00 0.00 C ATOM 0 H ILE A 46 -0.457 -8.360 -5.467 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.422 -10.502 -7.373 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.553 -8.461 -6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.229 -11.382 -5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.673 -10.052 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.145 -10.005 -7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.972 -9.368 -8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.794 -11.024 -8.220 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.838 -10.873 -4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.977 -9.200 -4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.543 -10.552 -5.674 1.00 0.00 H new ATOM 764 N VAL A 47 -0.353 -7.397 -8.411 1.00 0.00 N ATOM 765 CA VAL A 47 -0.143 -6.546 -9.574 1.00 0.00 C ATOM 766 C VAL A 47 1.306 -6.622 -10.053 1.00 0.00 C ATOM 767 O VAL A 47 1.570 -6.905 -11.224 1.00 0.00 O ATOM 768 CB VAL A 47 -0.496 -5.077 -9.270 1.00 0.00 C ATOM 769 CG1 VAL A 47 -0.246 -4.196 -10.487 1.00 0.00 C ATOM 770 CG2 VAL A 47 -1.940 -4.960 -8.804 1.00 0.00 C ATOM 0 H VAL A 47 -0.344 -6.901 -7.520 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.804 -6.913 -10.359 1.00 0.00 H new ATOM 0 HB VAL A 47 0.152 -4.730 -8.465 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.502 -3.164 -10.248 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.806 -4.253 -10.768 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.862 -4.540 -11.318 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.171 -3.916 -8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.605 -5.329 -9.585 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.079 -5.551 -7.899 1.00 0.00 H new ATOM 780 N GLU A 48 2.232 -6.375 -9.140 1.00 0.00 N ATOM 781 CA GLU A 48 3.650 -6.352 -9.465 1.00 0.00 C ATOM 782 C GLU A 48 4.259 -7.733 -9.243 1.00 0.00 C ATOM 783 O GLU A 48 3.674 -8.572 -8.569 1.00 0.00 O ATOM 784 CB GLU A 48 4.363 -5.307 -8.599 1.00 0.00 C ATOM 785 CG GLU A 48 5.270 -4.374 -9.383 1.00 0.00 C ATOM 786 CD GLU A 48 6.478 -5.079 -9.966 1.00 0.00 C ATOM 787 OE1 GLU A 48 6.342 -5.720 -11.026 1.00 0.00 O ATOM 788 OE2 GLU A 48 7.567 -5.000 -9.360 1.00 0.00 O ATOM 0 H GLU A 48 2.024 -6.186 -8.159 1.00 0.00 H new ATOM 0 HA GLU A 48 3.774 -6.083 -10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.615 -4.714 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.954 -5.820 -7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.700 -3.914 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.606 -3.568 -8.730 1.00 0.00 H new ATOM 795 N ASN A 49 5.425 -7.970 -9.817 1.00 0.00 N ATOM 796 CA ASN A 49 6.086 -9.263 -9.688 1.00 0.00 C ATOM 797 C ASN A 49 6.891 -9.337 -8.394 1.00 0.00 C ATOM 798 O ASN A 49 7.161 -10.424 -7.875 1.00 0.00 O ATOM 799 CB ASN A 49 6.993 -9.517 -10.895 1.00 0.00 C ATOM 800 CG ASN A 49 7.743 -10.832 -10.795 1.00 0.00 C ATOM 801 OD1 ASN A 49 8.880 -10.880 -10.323 1.00 0.00 O ATOM 802 ND2 ASN A 49 7.109 -11.908 -11.229 1.00 0.00 N ATOM 0 H ASN A 49 5.936 -7.287 -10.377 1.00 0.00 H new ATOM 0 HA ASN A 49 5.319 -10.037 -9.655 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.391 -9.514 -11.804 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.709 -8.700 -10.985 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.561 -12.821 -11.180 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.168 -11.825 -11.613 1.00 0.00 H new ATOM 809 N THR A 50 7.254 -8.177 -7.872 1.00 0.00 N ATOM 810 CA THR A 50 8.073 -8.089 -6.674 1.00 0.00 C ATOM 811 C THR A 50 7.374 -8.721 -5.462 1.00 0.00 C ATOM 812 O THR A 50 6.191 -8.478 -5.210 1.00 0.00 O ATOM 813 CB THR A 50 8.431 -6.619 -6.380 1.00 0.00 C ATOM 814 OG1 THR A 50 9.129 -6.063 -7.505 1.00 0.00 O ATOM 815 CG2 THR A 50 9.297 -6.495 -5.135 1.00 0.00 C ATOM 0 H THR A 50 6.991 -7.273 -8.265 1.00 0.00 H new ATOM 0 HA THR A 50 8.989 -8.650 -6.856 1.00 0.00 H new ATOM 0 HB THR A 50 7.504 -6.073 -6.204 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.489 -5.854 -8.217 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.531 -5.445 -4.957 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.760 -6.898 -4.276 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.222 -7.053 -5.278 1.00 0.00 H new ATOM 823 N PRO A 51 8.092 -9.581 -4.723 1.00 0.00 N ATOM 824 CA PRO A 51 7.561 -10.229 -3.525 1.00 0.00 C ATOM 825 C PRO A 51 7.458 -9.270 -2.342 1.00 0.00 C ATOM 826 O PRO A 51 8.226 -8.309 -2.233 1.00 0.00 O ATOM 827 CB PRO A 51 8.580 -11.330 -3.235 1.00 0.00 C ATOM 828 CG PRO A 51 9.855 -10.846 -3.829 1.00 0.00 C ATOM 829 CD PRO A 51 9.477 -10.000 -5.013 1.00 0.00 C ATOM 0 HA PRO A 51 6.547 -10.599 -3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.684 -11.498 -2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.273 -12.277 -3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.426 -10.266 -3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.484 -11.683 -4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.140 -9.141 -5.118 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.537 -10.565 -5.943 1.00 0.00 H new ATOM 837 N ILE A 52 6.529 -9.561 -1.440 1.00 0.00 N ATOM 838 CA ILE A 52 6.282 -8.716 -0.275 1.00 0.00 C ATOM 839 C ILE A 52 7.487 -8.743 0.665 1.00 0.00 C ATOM 840 O ILE A 52 7.732 -7.806 1.424 1.00 0.00 O ATOM 841 CB ILE A 52 5.015 -9.179 0.484 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.820 -9.267 -0.476 1.00 0.00 C ATOM 843 CG2 ILE A 52 4.699 -8.227 1.631 1.00 0.00 C ATOM 844 CD1 ILE A 52 2.544 -9.761 0.176 1.00 0.00 C ATOM 0 H ILE A 52 5.928 -10.384 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 52 6.124 -7.696 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 52 5.206 -10.169 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.639 -8.282 -0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.077 -9.933 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.805 -8.569 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.538 -8.204 2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.527 -7.226 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.746 -9.796 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.706 -10.760 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.261 -9.083 0.982 1.00 0.00 H new ATOM 856 N LYS A 53 8.256 -9.817 0.567 1.00 0.00 N ATOM 857 CA LYS A 53 9.436 -10.005 1.398 1.00 0.00 C ATOM 858 C LYS A 53 10.545 -9.010 1.054 1.00 0.00 C ATOM 859 O LYS A 53 11.451 -8.783 1.852 1.00 0.00 O ATOM 860 CB LYS A 53 9.944 -11.432 1.249 1.00 0.00 C ATOM 861 CG LYS A 53 8.967 -12.458 1.792 1.00 0.00 C ATOM 862 CD LYS A 53 9.410 -13.870 1.476 1.00 0.00 C ATOM 863 CE LYS A 53 10.688 -14.256 2.209 1.00 0.00 C ATOM 864 NZ LYS A 53 10.537 -14.181 3.687 1.00 0.00 N ATOM 0 H LYS A 53 8.081 -10.580 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 53 9.148 -9.822 2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.134 -11.638 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.896 -11.531 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.875 -12.338 2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.979 -12.282 1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.616 -14.566 1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.567 -13.967 0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.974 -15.269 1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.497 -13.597 1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.325 -14.685 4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.544 -13.185 3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.637 -14.621 3.967 1.00 0.00 H new ATOM 878 N ARG A 54 10.478 -8.415 -0.131 1.00 0.00 N ATOM 879 CA ARG A 54 11.512 -7.476 -0.557 1.00 0.00 C ATOM 880 C ARG A 54 11.019 -6.033 -0.524 1.00 0.00 C ATOM 881 O ARG A 54 11.810 -5.108 -0.354 1.00 0.00 O ATOM 882 CB ARG A 54 12.021 -7.804 -1.965 1.00 0.00 C ATOM 883 CG ARG A 54 13.116 -8.866 -2.010 1.00 0.00 C ATOM 884 CD ARG A 54 12.585 -10.260 -1.721 1.00 0.00 C ATOM 885 NE ARG A 54 13.650 -11.265 -1.738 1.00 0.00 N ATOM 886 CZ ARG A 54 13.436 -12.581 -1.776 1.00 0.00 C ATOM 887 NH1 ARG A 54 12.199 -13.057 -1.821 1.00 0.00 N ATOM 888 NH2 ARG A 54 14.459 -13.427 -1.787 1.00 0.00 N ATOM 0 H ARG A 54 9.729 -8.562 -0.808 1.00 0.00 H new ATOM 0 HA ARG A 54 12.332 -7.580 0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.181 -8.141 -2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.399 -6.890 -2.423 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.587 -8.856 -2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.889 -8.617 -1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.095 -10.267 -0.747 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.828 -10.521 -2.461 1.00 0.00 H new ATOM 0 HE ARG A 54 14.616 -10.938 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.406 -12.416 -1.827 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.041 -14.064 -1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.415 -13.072 -1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.289 -14.432 -1.816 1.00 0.00 H new ATOM 902 N MET A 55 9.719 -5.832 -0.677 1.00 0.00 N ATOM 903 CA MET A 55 9.183 -4.483 -0.799 1.00 0.00 C ATOM 904 C MET A 55 8.660 -3.949 0.531 1.00 0.00 C ATOM 905 O MET A 55 7.971 -4.649 1.273 1.00 0.00 O ATOM 906 CB MET A 55 8.091 -4.423 -1.872 1.00 0.00 C ATOM 907 CG MET A 55 6.893 -5.321 -1.613 1.00 0.00 C ATOM 908 SD MET A 55 5.676 -5.233 -2.941 1.00 0.00 S ATOM 909 CE MET A 55 4.424 -6.363 -2.344 1.00 0.00 C ATOM 0 H MET A 55 9.022 -6.575 -0.719 1.00 0.00 H new ATOM 0 HA MET A 55 10.008 -3.839 -1.105 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.743 -3.394 -1.960 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.530 -4.694 -2.832 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.231 -6.351 -1.500 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.423 -5.035 -0.672 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.520 -6.255 -2.944 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.791 -7.386 -2.422 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.197 -6.137 -1.302 1.00 0.00 H new ATOM 919 N GLN A 56 9.015 -2.702 0.823 1.00 0.00 N ATOM 920 CA GLN A 56 8.569 -2.021 2.033 1.00 0.00 C ATOM 921 C GLN A 56 7.693 -0.828 1.669 1.00 0.00 C ATOM 922 O GLN A 56 7.964 -0.128 0.691 1.00 0.00 O ATOM 923 CB GLN A 56 9.770 -1.560 2.871 1.00 0.00 C ATOM 924 CG GLN A 56 10.204 -2.560 3.940 1.00 0.00 C ATOM 925 CD GLN A 56 10.773 -3.852 3.374 1.00 0.00 C ATOM 926 OE1 GLN A 56 11.440 -3.765 2.234 1.00 0.00 O flip ATOM 927 NE2 GLN A 56 10.627 -4.918 3.970 1.00 0.00 N flip ATOM 0 H GLN A 56 9.619 -2.136 0.228 1.00 0.00 H new ATOM 0 HA GLN A 56 7.984 -2.722 2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.612 -1.368 2.205 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.522 -0.614 3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.953 -2.093 4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.348 -2.797 4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.106 -4.945 4.847 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.027 -5.775 3.588 1.00 0.00 H new ATOM 936 N LEU A 57 6.650 -0.592 2.455 1.00 0.00 N ATOM 937 CA LEU A 57 5.683 0.454 2.138 1.00 0.00 C ATOM 938 C LEU A 57 5.953 1.722 2.941 1.00 0.00 C ATOM 939 O LEU A 57 6.068 1.682 4.171 1.00 0.00 O ATOM 940 CB LEU A 57 4.261 -0.030 2.431 1.00 0.00 C ATOM 941 CG LEU A 57 3.874 -1.371 1.804 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.433 -1.713 2.147 1.00 0.00 C ATOM 943 CD2 LEU A 57 4.072 -1.346 0.295 1.00 0.00 C ATOM 0 H LEU A 57 6.452 -1.107 3.313 1.00 0.00 H new ATOM 0 HA LEU A 57 5.785 0.683 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.138 -0.106 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.560 0.729 2.083 1.00 0.00 H new ATOM 0 HG LEU A 57 4.526 -2.142 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.169 -2.669 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.323 -1.780 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.773 -0.935 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.790 -2.311 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.450 -0.564 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.119 -1.144 0.069 1.00 0.00 H new ATOM 955 N TYR A 58 6.038 2.845 2.243 1.00 0.00 N ATOM 956 CA TYR A 58 6.213 4.139 2.887 1.00 0.00 C ATOM 957 C TYR A 58 5.155 5.119 2.396 1.00 0.00 C ATOM 958 O TYR A 58 4.983 5.312 1.190 1.00 0.00 O ATOM 959 CB TYR A 58 7.614 4.699 2.611 1.00 0.00 C ATOM 960 CG TYR A 58 8.734 3.886 3.225 1.00 0.00 C ATOM 961 CD1 TYR A 58 9.287 2.803 2.551 1.00 0.00 C ATOM 962 CD2 TYR A 58 9.243 4.207 4.475 1.00 0.00 C ATOM 963 CE1 TYR A 58 10.312 2.062 3.109 1.00 0.00 C ATOM 964 CE2 TYR A 58 10.269 3.471 5.040 1.00 0.00 C ATOM 965 CZ TYR A 58 10.801 2.400 4.353 1.00 0.00 C ATOM 966 OH TYR A 58 11.825 1.665 4.911 1.00 0.00 O ATOM 0 H TYR A 58 5.988 2.886 1.225 1.00 0.00 H new ATOM 0 HA TYR A 58 6.101 4.003 3.963 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.767 4.753 1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.668 5.719 2.992 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.909 2.536 1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.831 5.046 5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.728 1.222 2.573 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.652 3.734 6.015 1.00 0.00 H new ATOM 0 HH TYR A 58 12.053 2.035 5.789 1.00 0.00 H new ATOM 976 N TYR A 59 4.448 5.729 3.335 1.00 0.00 N ATOM 977 CA TYR A 59 3.401 6.685 3.009 1.00 0.00 C ATOM 978 C TYR A 59 3.796 8.089 3.451 1.00 0.00 C ATOM 979 O TYR A 59 3.800 8.397 4.644 1.00 0.00 O ATOM 980 CB TYR A 59 2.076 6.274 3.665 1.00 0.00 C ATOM 981 CG TYR A 59 0.985 7.320 3.551 1.00 0.00 C ATOM 982 CD1 TYR A 59 0.492 7.708 2.312 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.448 7.917 4.686 1.00 0.00 C ATOM 984 CE1 TYR A 59 -0.503 8.660 2.206 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.549 8.871 4.588 1.00 0.00 C ATOM 986 CZ TYR A 59 -1.021 9.238 3.345 1.00 0.00 C ATOM 987 OH TYR A 59 -2.018 10.183 3.240 1.00 0.00 O ATOM 0 H TYR A 59 4.582 5.578 4.335 1.00 0.00 H new ATOM 0 HA TYR A 59 3.268 6.689 1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.727 5.348 3.208 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.254 6.062 4.719 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.893 7.258 1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.815 7.631 5.661 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.874 8.950 1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.955 9.326 5.479 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.273 10.490 4.135 1.00 0.00 H new ATOM 997 N SER A 60 4.155 8.923 2.479 1.00 0.00 N ATOM 998 CA SER A 60 4.494 10.321 2.734 1.00 0.00 C ATOM 999 C SER A 60 5.706 10.442 3.658 1.00 0.00 C ATOM 1000 O SER A 60 5.880 11.445 4.352 1.00 0.00 O ATOM 1001 CB SER A 60 3.281 11.046 3.325 1.00 0.00 C ATOM 1002 OG SER A 60 2.210 11.071 2.393 1.00 0.00 O ATOM 0 H SER A 60 4.219 8.652 1.498 1.00 0.00 H new ATOM 0 HA SER A 60 4.762 10.790 1.788 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.962 10.546 4.240 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.557 12.065 3.598 1.00 0.00 H new ATOM 0 HG SER A 60 1.608 10.317 2.566 1.00 0.00 H new ATOM 1008 N GLY A 61 6.561 9.427 3.630 1.00 0.00 N ATOM 1009 CA GLY A 61 7.726 9.408 4.490 1.00 0.00 C ATOM 1010 C GLY A 61 7.521 8.518 5.695 1.00 0.00 C ATOM 1011 O GLY A 61 8.479 7.998 6.264 1.00 0.00 O ATOM 0 H GLY A 61 6.466 8.613 3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.590 9.060 3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.950 10.422 4.821 1.00 0.00 H new ATOM 1015 N ILE A 62 6.267 8.332 6.075 1.00 0.00 N ATOM 1016 CA ILE A 62 5.928 7.508 7.224 1.00 0.00 C ATOM 1017 C ILE A 62 5.942 6.037 6.842 1.00 0.00 C ATOM 1018 O ILE A 62 5.209 5.608 5.950 1.00 0.00 O ATOM 1019 CB ILE A 62 4.536 7.867 7.784 1.00 0.00 C ATOM 1020 CG1 ILE A 62 4.481 9.343 8.178 1.00 0.00 C ATOM 1021 CG2 ILE A 62 4.194 6.989 8.981 1.00 0.00 C ATOM 1022 CD1 ILE A 62 3.107 9.805 8.612 1.00 0.00 C ATOM 0 H ILE A 62 5.463 8.743 5.601 1.00 0.00 H new ATOM 0 HA ILE A 62 6.676 7.699 7.993 1.00 0.00 H new ATOM 0 HB ILE A 62 3.798 7.687 7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.187 9.520 8.989 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.808 9.948 7.333 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.208 7.259 9.360 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.191 5.943 8.676 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.937 7.136 9.765 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.145 10.862 8.876 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.400 9.661 7.795 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.785 9.226 9.477 1.00 0.00 H new ATOM 1034 N GLU A 63 6.791 5.271 7.503 1.00 0.00 N ATOM 1035 CA GLU A 63 6.845 3.839 7.273 1.00 0.00 C ATOM 1036 C GLU A 63 5.653 3.159 7.931 1.00 0.00 C ATOM 1037 O GLU A 63 5.243 3.527 9.035 1.00 0.00 O ATOM 1038 CB GLU A 63 8.151 3.242 7.806 1.00 0.00 C ATOM 1039 CG GLU A 63 8.365 3.459 9.294 1.00 0.00 C ATOM 1040 CD GLU A 63 9.559 2.698 9.823 1.00 0.00 C ATOM 1041 OE1 GLU A 63 10.699 3.169 9.637 1.00 0.00 O ATOM 1042 OE2 GLU A 63 9.364 1.617 10.423 1.00 0.00 O ATOM 0 H GLU A 63 7.450 5.615 8.201 1.00 0.00 H new ATOM 0 HA GLU A 63 6.808 3.667 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.160 2.172 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.988 3.679 7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.502 4.523 9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.471 3.149 9.836 1.00 0.00 H new ATOM 1049 N LEU A 64 5.093 2.177 7.250 1.00 0.00 N ATOM 1050 CA LEU A 64 3.975 1.430 7.793 1.00 0.00 C ATOM 1051 C LEU A 64 4.510 0.269 8.614 1.00 0.00 C ATOM 1052 O LEU A 64 4.729 -0.827 8.097 1.00 0.00 O ATOM 1053 CB LEU A 64 3.059 0.930 6.669 1.00 0.00 C ATOM 1054 CG LEU A 64 2.576 2.013 5.698 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.681 1.408 4.630 1.00 0.00 C ATOM 1056 CD2 LEU A 64 1.846 3.123 6.439 1.00 0.00 C ATOM 0 H LEU A 64 5.393 1.879 6.322 1.00 0.00 H new ATOM 0 HA LEU A 64 3.380 2.080 8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.589 0.165 6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.189 0.450 7.116 1.00 0.00 H new ATOM 0 HG LEU A 64 3.450 2.448 5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.347 2.191 3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.238 0.655 4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.815 0.943 5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.514 3.878 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.982 2.707 6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.519 3.580 7.165 1.00 0.00 H new ATOM 1068 N ALA A 65 4.757 0.534 9.889 1.00 0.00 N ATOM 1069 CA ALA A 65 5.413 -0.433 10.757 1.00 0.00 C ATOM 1070 C ALA A 65 4.443 -1.489 11.259 1.00 0.00 C ATOM 1071 O ALA A 65 4.838 -2.622 11.538 1.00 0.00 O ATOM 1072 CB ALA A 65 6.082 0.276 11.923 1.00 0.00 C ATOM 0 H ALA A 65 4.512 1.413 10.346 1.00 0.00 H new ATOM 0 HA ALA A 65 6.175 -0.944 10.169 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.569 -0.459 12.565 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.826 0.977 11.544 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.332 0.819 12.498 1.00 0.00 H new ATOM 1078 N ASP A 66 3.176 -1.126 11.371 1.00 0.00 N ATOM 1079 CA ASP A 66 2.173 -2.065 11.846 1.00 0.00 C ATOM 1080 C ASP A 66 1.386 -2.641 10.682 1.00 0.00 C ATOM 1081 O ASP A 66 0.566 -1.961 10.065 1.00 0.00 O ATOM 1082 CB ASP A 66 1.225 -1.406 12.843 1.00 0.00 C ATOM 1083 CG ASP A 66 1.922 -0.961 14.108 1.00 0.00 C ATOM 1084 OD1 ASP A 66 2.230 -1.823 14.956 1.00 0.00 O ATOM 1085 OD2 ASP A 66 2.149 0.255 14.271 1.00 0.00 O ATOM 0 H ASP A 66 2.820 -0.198 11.142 1.00 0.00 H new ATOM 0 HA ASP A 66 2.695 -2.875 12.356 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.752 -0.544 12.372 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.430 -2.106 13.099 1.00 0.00 H new ATOM 1090 N ASP A 67 1.644 -3.901 10.401 1.00 0.00 N ATOM 1091 CA ASP A 67 1.012 -4.614 9.299 1.00 0.00 C ATOM 1092 C ASP A 67 -0.480 -4.785 9.552 1.00 0.00 C ATOM 1093 O ASP A 67 -1.290 -4.795 8.624 1.00 0.00 O ATOM 1094 CB ASP A 67 1.673 -5.983 9.173 1.00 0.00 C ATOM 1095 CG ASP A 67 1.264 -6.743 7.934 1.00 0.00 C ATOM 1096 OD1 ASP A 67 1.805 -6.452 6.847 1.00 0.00 O ATOM 1097 OD2 ASP A 67 0.432 -7.662 8.053 1.00 0.00 O ATOM 0 H ASP A 67 2.304 -4.469 10.933 1.00 0.00 H new ATOM 0 HA ASP A 67 1.135 -4.044 8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.755 -5.855 9.169 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.426 -6.578 10.052 1.00 0.00 H new ATOM 1102 N TYR A 68 -0.833 -4.890 10.821 1.00 0.00 N ATOM 1103 CA TYR A 68 -2.196 -5.203 11.217 1.00 0.00 C ATOM 1104 C TYR A 68 -3.088 -3.960 11.269 1.00 0.00 C ATOM 1105 O TYR A 68 -4.301 -4.072 11.441 1.00 0.00 O ATOM 1106 CB TYR A 68 -2.194 -5.905 12.579 1.00 0.00 C ATOM 1107 CG TYR A 68 -1.486 -5.130 13.666 1.00 0.00 C ATOM 1108 CD1 TYR A 68 -0.120 -5.277 13.872 1.00 0.00 C ATOM 1109 CD2 TYR A 68 -2.181 -4.247 14.482 1.00 0.00 C ATOM 1110 CE1 TYR A 68 0.530 -4.569 14.860 1.00 0.00 C ATOM 1111 CE2 TYR A 68 -1.535 -3.532 15.471 1.00 0.00 C ATOM 1112 CZ TYR A 68 -0.180 -3.697 15.656 1.00 0.00 C ATOM 1113 OH TYR A 68 0.467 -2.981 16.635 1.00 0.00 O ATOM 0 H TYR A 68 -0.189 -4.762 11.601 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.612 -5.867 10.459 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.224 -6.084 12.886 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.719 -6.880 12.473 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.441 -5.957 13.248 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.244 -4.117 14.341 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.592 -4.697 15.010 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.089 -2.847 16.096 1.00 0.00 H new ATOM 0 HH TYR A 68 1.169 -2.431 16.228 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.500 -2.778 11.127 1.00 0.00 N ATOM 1124 CA ARG A 69 -3.282 -1.546 11.199 1.00 0.00 C ATOM 1125 C ARG A 69 -3.934 -1.240 9.858 1.00 0.00 C ATOM 1126 O ARG A 69 -3.477 -1.691 8.808 1.00 0.00 O ATOM 1127 CB ARG A 69 -2.426 -0.359 11.651 1.00 0.00 C ATOM 1128 CG ARG A 69 -2.045 -0.407 13.121 1.00 0.00 C ATOM 1129 CD ARG A 69 -1.164 0.768 13.513 1.00 0.00 C ATOM 1130 NE ARG A 69 -1.908 2.011 13.704 1.00 0.00 N ATOM 1131 CZ ARG A 69 -1.319 3.198 13.837 1.00 0.00 C ATOM 1132 NH1 ARG A 69 0.005 3.299 13.774 1.00 0.00 N ATOM 1133 NH2 ARG A 69 -2.047 4.286 14.044 1.00 0.00 N ATOM 0 H ARG A 69 -1.502 -2.645 10.964 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.063 -1.702 11.944 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.517 -0.328 11.050 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.970 0.565 11.455 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.948 -0.404 13.731 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.522 -1.340 13.331 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.635 0.525 14.434 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.409 0.920 12.742 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.927 1.968 13.737 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.573 2.466 13.623 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.452 4.210 13.876 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.063 4.216 14.102 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.591 5.193 14.145 1.00 0.00 H new ATOM 1147 N ASN A 70 -5.011 -0.476 9.910 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.757 -0.112 8.716 1.00 0.00 C ATOM 1149 C ASN A 70 -5.152 1.132 8.086 1.00 0.00 C ATOM 1150 O ASN A 70 -4.521 1.937 8.773 1.00 0.00 O ATOM 1151 CB ASN A 70 -7.228 0.150 9.074 1.00 0.00 C ATOM 1152 CG ASN A 70 -7.825 -0.975 9.894 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -7.692 -1.000 11.116 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -8.502 -1.899 9.240 1.00 0.00 N ATOM 0 H ASN A 70 -5.392 -0.092 10.775 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.705 -0.935 8.003 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.304 1.084 9.631 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.806 0.277 8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.937 -2.668 9.749 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.590 -1.844 8.225 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.339 1.290 6.783 1.00 0.00 N ATOM 1162 CA LEU A 71 -4.918 2.508 6.095 1.00 0.00 C ATOM 1163 C LEU A 71 -5.625 3.702 6.719 1.00 0.00 C ATOM 1164 O LEU A 71 -5.067 4.793 6.843 1.00 0.00 O ATOM 1165 CB LEU A 71 -5.259 2.424 4.606 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.790 1.150 3.900 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -5.131 1.214 2.421 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -3.295 0.945 4.099 1.00 0.00 C ATOM 0 H LEU A 71 -5.778 0.594 6.180 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.839 2.623 6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.340 2.506 4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.819 3.283 4.100 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.309 0.298 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.792 0.302 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.210 1.312 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.636 2.074 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.982 0.034 3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.753 1.796 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.078 0.858 5.164 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.861 3.452 7.122 1.00 0.00 N ATOM 1181 CA ASN A 72 -7.679 4.420 7.834 1.00 0.00 C ATOM 1182 C ASN A 72 -7.002 4.897 9.118 1.00 0.00 C ATOM 1183 O ASN A 72 -7.137 6.056 9.504 1.00 0.00 O ATOM 1184 CB ASN A 72 -9.035 3.791 8.140 1.00 0.00 C ATOM 1185 CG ASN A 72 -9.821 4.522 9.209 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -10.558 5.465 8.919 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -9.681 4.078 10.448 1.00 0.00 N ATOM 0 H ASN A 72 -7.329 2.560 6.962 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.813 5.298 7.202 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.626 3.761 7.225 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.883 2.759 8.456 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.195 4.521 11.210 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.059 3.293 10.641 1.00 0.00 H new ATOM 1194 N GLU A 73 -6.260 4.005 9.770 1.00 0.00 N ATOM 1195 CA GLU A 73 -5.570 4.350 11.009 1.00 0.00 C ATOM 1196 C GLU A 73 -4.500 5.396 10.737 1.00 0.00 C ATOM 1197 O GLU A 73 -4.407 6.407 11.434 1.00 0.00 O ATOM 1198 CB GLU A 73 -4.918 3.118 11.646 1.00 0.00 C ATOM 1199 CG GLU A 73 -5.870 1.960 11.884 1.00 0.00 C ATOM 1200 CD GLU A 73 -7.107 2.362 12.651 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -7.007 2.576 13.878 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -8.181 2.466 12.028 1.00 0.00 O ATOM 0 H GLU A 73 -6.122 3.042 9.462 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.312 4.749 11.701 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.105 2.779 11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.473 3.408 12.598 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.166 1.537 10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.349 1.175 12.432 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.709 5.153 9.702 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.630 6.060 9.332 1.00 0.00 C ATOM 1211 C TYR A 74 -3.192 7.340 8.727 1.00 0.00 C ATOM 1212 O TYR A 74 -2.543 8.385 8.745 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.680 5.385 8.340 1.00 0.00 C ATOM 1214 CG TYR A 74 -0.997 4.151 8.891 1.00 0.00 C ATOM 1215 CD1 TYR A 74 0.055 4.261 9.790 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -1.399 2.879 8.505 1.00 0.00 C ATOM 1217 CE1 TYR A 74 0.686 3.141 10.291 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.775 1.751 9.002 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.270 1.889 9.893 1.00 0.00 C ATOM 1220 OH TYR A 74 0.893 0.769 10.396 1.00 0.00 O ATOM 0 H TYR A 74 -3.794 4.333 9.101 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.073 6.314 10.234 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.239 5.111 7.445 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.920 6.103 8.033 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.385 5.241 10.103 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.213 2.770 7.804 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.502 3.245 10.991 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.102 0.769 8.696 1.00 0.00 H new ATOM 0 HH TYR A 74 0.490 -0.034 10.003 1.00 0.00 H new ATOM 1230 N GLY A 75 -4.407 7.252 8.207 1.00 0.00 N ATOM 1231 CA GLY A 75 -5.045 8.407 7.611 1.00 0.00 C ATOM 1232 C GLY A 75 -4.803 8.476 6.123 1.00 0.00 C ATOM 1233 O GLY A 75 -4.707 9.562 5.550 1.00 0.00 O ATOM 0 H GLY A 75 -4.964 6.398 8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.117 8.370 7.803 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.668 9.314 8.083 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.711 7.315 5.493 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.447 7.243 4.065 1.00 0.00 C ATOM 1239 C ILE A 76 -5.713 7.544 3.269 1.00 0.00 C ATOM 1240 O ILE A 76 -6.729 6.858 3.405 1.00 0.00 O ATOM 1241 CB ILE A 76 -3.876 5.866 3.667 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.557 5.617 4.409 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -3.668 5.784 2.159 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -1.882 4.315 4.040 1.00 0.00 C ATOM 0 H ILE A 76 -4.815 6.409 5.949 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.697 7.998 3.828 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.591 5.094 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.874 6.441 4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.748 5.624 5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.265 4.805 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.622 5.929 1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.968 6.559 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.956 4.212 4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.545 3.482 4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.657 4.311 2.973 1.00 0.00 H new ATOM 1256 N THR A 77 -5.647 8.588 2.461 1.00 0.00 N ATOM 1257 CA THR A 77 -6.779 9.015 1.660 1.00 0.00 C ATOM 1258 C THR A 77 -6.576 8.608 0.196 1.00 0.00 C ATOM 1259 O THR A 77 -5.613 7.917 -0.132 1.00 0.00 O ATOM 1260 CB THR A 77 -6.982 10.545 1.777 1.00 0.00 C ATOM 1261 OG1 THR A 77 -8.191 10.951 1.121 1.00 0.00 O ATOM 1262 CG2 THR A 77 -5.798 11.304 1.188 1.00 0.00 C ATOM 0 H THR A 77 -4.811 9.161 2.343 1.00 0.00 H new ATOM 0 HA THR A 77 -7.676 8.523 2.036 1.00 0.00 H new ATOM 0 HB THR A 77 -7.057 10.785 2.838 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.301 11.921 1.208 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.969 12.376 1.284 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.889 11.032 1.724 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.689 11.047 0.134 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.479 9.034 -0.674 1.00 0.00 N ATOM 1271 CA GLU A 78 -7.399 8.702 -2.089 1.00 0.00 C ATOM 1272 C GLU A 78 -6.340 9.554 -2.784 1.00 0.00 C ATOM 1273 O GLU A 78 -6.088 10.690 -2.379 1.00 0.00 O ATOM 1274 CB GLU A 78 -8.766 8.893 -2.754 1.00 0.00 C ATOM 1275 CG GLU A 78 -8.759 8.645 -4.251 1.00 0.00 C ATOM 1276 CD GLU A 78 -10.149 8.622 -4.839 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -10.789 9.691 -4.922 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -10.611 7.531 -5.218 1.00 0.00 O ATOM 0 H GLU A 78 -8.280 9.614 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.108 7.656 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.484 8.219 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.113 9.909 -2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.173 9.422 -4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.265 7.695 -4.457 1.00 0.00 H new ATOM 1285 N PHE A 79 -5.715 8.979 -3.816 1.00 0.00 N ATOM 1286 CA PHE A 79 -4.660 9.643 -4.588 1.00 0.00 C ATOM 1287 C PHE A 79 -3.395 9.799 -3.762 1.00 0.00 C ATOM 1288 O PHE A 79 -2.531 10.619 -4.069 1.00 0.00 O ATOM 1289 CB PHE A 79 -5.120 10.999 -5.140 1.00 0.00 C ATOM 1290 CG PHE A 79 -5.945 10.878 -6.387 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -5.334 10.631 -7.608 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -7.323 10.996 -6.344 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -6.084 10.507 -8.761 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -8.078 10.873 -7.494 1.00 0.00 C ATOM 1295 CZ PHE A 79 -7.458 10.628 -8.703 1.00 0.00 C ATOM 0 H PHE A 79 -5.928 8.036 -4.141 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.436 9.003 -5.441 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.700 11.517 -4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.245 11.615 -5.349 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.259 10.535 -7.657 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.814 11.186 -5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.597 10.316 -9.706 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.153 10.968 -7.448 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.047 10.531 -9.603 1.00 0.00 H new ATOM 1305 N SER A 80 -3.287 8.987 -2.726 1.00 0.00 N ATOM 1306 CA SER A 80 -2.092 8.946 -1.913 1.00 0.00 C ATOM 1307 C SER A 80 -0.977 8.231 -2.664 1.00 0.00 C ATOM 1308 O SER A 80 -1.194 7.171 -3.255 1.00 0.00 O ATOM 1309 CB SER A 80 -2.395 8.237 -0.596 1.00 0.00 C ATOM 1310 OG SER A 80 -3.193 7.088 -0.815 1.00 0.00 O ATOM 0 H SER A 80 -4.020 8.343 -2.429 1.00 0.00 H new ATOM 0 HA SER A 80 -1.763 9.963 -1.697 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.463 7.950 -0.109 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.910 8.920 0.080 1.00 0.00 H new ATOM 0 HG SER A 80 -4.127 7.293 -0.603 1.00 0.00 H new ATOM 1316 N GLU A 81 0.206 8.822 -2.667 1.00 0.00 N ATOM 1317 CA GLU A 81 1.331 8.231 -3.361 1.00 0.00 C ATOM 1318 C GLU A 81 2.129 7.352 -2.409 1.00 0.00 C ATOM 1319 O GLU A 81 2.829 7.844 -1.522 1.00 0.00 O ATOM 1320 CB GLU A 81 2.214 9.317 -3.970 1.00 0.00 C ATOM 1321 CG GLU A 81 3.308 8.770 -4.868 1.00 0.00 C ATOM 1322 CD GLU A 81 4.044 9.860 -5.613 1.00 0.00 C ATOM 1323 OE1 GLU A 81 3.597 10.232 -6.717 1.00 0.00 O ATOM 1324 OE2 GLU A 81 5.076 10.343 -5.109 1.00 0.00 O ATOM 0 H GLU A 81 0.409 9.705 -2.199 1.00 0.00 H new ATOM 0 HA GLU A 81 0.956 7.608 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.591 10.002 -4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.669 9.898 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.018 8.203 -4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.871 8.075 -5.585 1.00 0.00 H new ATOM 1331 N ILE A 82 1.991 6.049 -2.585 1.00 0.00 N ATOM 1332 CA ILE A 82 2.695 5.083 -1.765 1.00 0.00 C ATOM 1333 C ILE A 82 4.031 4.756 -2.402 1.00 0.00 C ATOM 1334 O ILE A 82 4.090 4.213 -3.507 1.00 0.00 O ATOM 1335 CB ILE A 82 1.884 3.780 -1.591 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.481 4.083 -1.057 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.611 2.814 -0.664 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.469 4.843 0.253 1.00 0.00 C ATOM 0 H ILE A 82 1.390 5.634 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 82 2.841 5.526 -0.780 1.00 0.00 H new ATOM 0 HB ILE A 82 1.784 3.308 -2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.064 4.660 -1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.057 3.144 -0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.023 1.903 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.586 2.569 -1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.745 3.279 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.561 5.018 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.984 4.260 1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.976 5.799 0.124 1.00 0.00 H new ATOM 1350 N VAL A 83 5.098 5.099 -1.711 1.00 0.00 N ATOM 1351 CA VAL A 83 6.434 4.860 -2.223 1.00 0.00 C ATOM 1352 C VAL A 83 6.942 3.518 -1.722 1.00 0.00 C ATOM 1353 O VAL A 83 7.085 3.307 -0.516 1.00 0.00 O ATOM 1354 CB VAL A 83 7.421 5.972 -1.811 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.770 5.767 -2.482 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.860 7.346 -2.145 1.00 0.00 C ATOM 0 H VAL A 83 5.068 5.544 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 83 6.373 4.857 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 83 7.562 5.917 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.452 6.561 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.181 4.802 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.645 5.790 -3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.574 8.113 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.682 7.415 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.921 7.495 -1.611 1.00 0.00 H new ATOM 1366 N VAL A 84 7.193 2.611 -2.647 1.00 0.00 N ATOM 1367 CA VAL A 84 7.650 1.284 -2.293 1.00 0.00 C ATOM 1368 C VAL A 84 9.152 1.164 -2.502 1.00 0.00 C ATOM 1369 O VAL A 84 9.640 1.175 -3.634 1.00 0.00 O ATOM 1370 CB VAL A 84 6.925 0.202 -3.113 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.352 -1.184 -2.662 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.417 0.360 -2.994 1.00 0.00 C ATOM 0 H VAL A 84 7.088 2.771 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 84 7.419 1.129 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 84 7.201 0.324 -4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.829 -1.936 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.427 -1.297 -2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.106 -1.315 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.923 -0.414 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.123 0.267 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.123 1.341 -3.367 1.00 0.00 H new ATOM 1382 N PHE A 85 9.878 1.072 -1.402 1.00 0.00 N ATOM 1383 CA PHE A 85 11.319 0.913 -1.454 1.00 0.00 C ATOM 1384 C PHE A 85 11.688 -0.556 -1.366 1.00 0.00 C ATOM 1385 O PHE A 85 11.336 -1.239 -0.398 1.00 0.00 O ATOM 1386 CB PHE A 85 11.994 1.702 -0.333 1.00 0.00 C ATOM 1387 CG PHE A 85 12.075 3.177 -0.610 1.00 0.00 C ATOM 1388 CD1 PHE A 85 12.916 3.658 -1.601 1.00 0.00 C ATOM 1389 CD2 PHE A 85 11.315 4.080 0.117 1.00 0.00 C ATOM 1390 CE1 PHE A 85 12.998 5.011 -1.862 1.00 0.00 C ATOM 1391 CE2 PHE A 85 11.392 5.435 -0.140 1.00 0.00 C ATOM 1392 CZ PHE A 85 12.234 5.902 -1.130 1.00 0.00 C ATOM 0 H PHE A 85 9.491 1.105 -0.459 1.00 0.00 H new ATOM 0 HA PHE A 85 11.674 1.307 -2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.445 1.543 0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 85 13.000 1.312 -0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.514 2.966 -2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.655 3.720 0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 85 13.658 5.373 -2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.794 6.129 0.433 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.296 6.961 -1.332 1.00 0.00 H new ATOM 1402 N LEU A 86 12.380 -1.043 -2.382 1.00 0.00 N ATOM 1403 CA LEU A 86 12.770 -2.438 -2.431 1.00 0.00 C ATOM 1404 C LEU A 86 14.059 -2.655 -1.659 1.00 0.00 C ATOM 1405 O LEU A 86 15.112 -2.131 -2.020 1.00 0.00 O ATOM 1406 CB LEU A 86 12.940 -2.915 -3.878 1.00 0.00 C ATOM 1407 CG LEU A 86 11.709 -2.745 -4.768 1.00 0.00 C ATOM 1408 CD1 LEU A 86 11.890 -3.493 -6.079 1.00 0.00 C ATOM 1409 CD2 LEU A 86 10.461 -3.222 -4.049 1.00 0.00 C ATOM 0 H LEU A 86 12.683 -0.490 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 86 11.975 -3.023 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.771 -2.372 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.217 -3.969 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 86 11.591 -1.685 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.003 -3.360 -6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.762 -3.102 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.035 -4.554 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.595 -3.093 -4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.569 -4.276 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.321 -2.640 -3.138 1.00 0.00 H new ATOM 1421 N LYS A 87 13.966 -3.416 -0.585 1.00 0.00 N ATOM 1422 CA LYS A 87 15.128 -3.745 0.216 1.00 0.00 C ATOM 1423 C LYS A 87 15.397 -5.236 0.105 1.00 0.00 C ATOM 1424 O LYS A 87 14.824 -6.043 0.834 1.00 0.00 O ATOM 1425 CB LYS A 87 14.916 -3.327 1.675 1.00 0.00 C ATOM 1426 CG LYS A 87 14.561 -1.851 1.835 1.00 0.00 C ATOM 1427 CD LYS A 87 15.571 -0.956 1.129 1.00 0.00 C ATOM 1428 CE LYS A 87 15.135 0.502 1.123 1.00 0.00 C ATOM 1429 NZ LYS A 87 15.259 1.138 2.461 1.00 0.00 N ATOM 0 H LYS A 87 13.092 -3.819 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 87 15.995 -3.198 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.120 -3.934 2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.823 -3.539 2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.566 -1.669 1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.525 -1.597 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 87 16.539 -1.043 1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.704 -1.299 0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.739 1.056 0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.100 0.567 0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.950 2.129 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.663 0.628 3.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.251 1.102 2.772 1.00 0.00 H new ATOM 1443 N SER A 88 16.237 -5.588 -0.853 1.00 0.00 N ATOM 1444 CA SER A 88 16.510 -6.977 -1.169 1.00 0.00 C ATOM 1445 C SER A 88 17.351 -7.645 -0.085 1.00 0.00 C ATOM 1446 O SER A 88 18.574 -7.499 -0.047 1.00 0.00 O ATOM 1447 CB SER A 88 17.217 -7.064 -2.523 1.00 0.00 C ATOM 1448 OG SER A 88 16.462 -6.411 -3.534 1.00 0.00 O ATOM 0 H SER A 88 16.747 -4.920 -1.431 1.00 0.00 H new ATOM 0 HA SER A 88 15.560 -7.510 -1.219 1.00 0.00 H new ATOM 0 HB2 SER A 88 18.205 -6.610 -2.451 1.00 0.00 H new ATOM 0 HB3 SER A 88 17.366 -8.109 -2.793 1.00 0.00 H new ATOM 0 HG SER A 88 16.934 -6.478 -4.390 1.00 0.00 H new ATOM 1454 N ILE A 89 16.686 -8.352 0.813 1.00 0.00 N ATOM 1455 CA ILE A 89 17.370 -9.132 1.825 1.00 0.00 C ATOM 1456 C ILE A 89 17.293 -10.614 1.479 1.00 0.00 C ATOM 1457 O ILE A 89 16.206 -11.183 1.363 1.00 0.00 O ATOM 1458 CB ILE A 89 16.790 -8.887 3.237 1.00 0.00 C ATOM 1459 CG1 ILE A 89 15.259 -9.005 3.230 1.00 0.00 C ATOM 1460 CG2 ILE A 89 17.219 -7.519 3.749 1.00 0.00 C ATOM 1461 CD1 ILE A 89 14.629 -8.855 4.599 1.00 0.00 C ATOM 0 H ILE A 89 15.668 -8.400 0.860 1.00 0.00 H new ATOM 0 HA ILE A 89 18.412 -8.812 1.839 1.00 0.00 H new ATOM 0 HB ILE A 89 17.182 -9.652 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.848 -8.245 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 89 14.980 -9.974 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 89 16.805 -7.357 4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 89 18.307 -7.473 3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 89 16.853 -6.746 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 89 13.547 -8.950 4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 89 15.010 -9.632 5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 89 14.876 -7.875 5.008 1.00 0.00 H new ATOM 1473 N ASN A 90 18.448 -11.231 1.280 1.00 0.00 N ATOM 1474 CA ASN A 90 18.495 -12.639 0.912 1.00 0.00 C ATOM 1475 C ASN A 90 18.451 -13.518 2.153 1.00 0.00 C ATOM 1476 O ASN A 90 19.332 -13.460 3.010 1.00 0.00 O ATOM 1477 CB ASN A 90 19.738 -12.960 0.062 1.00 0.00 C ATOM 1478 CG ASN A 90 21.058 -12.644 0.747 1.00 0.00 C ATOM 1479 OD1 ASN A 90 21.634 -13.484 1.441 1.00 0.00 O ATOM 1480 ND2 ASN A 90 21.564 -11.440 0.527 1.00 0.00 N ATOM 0 H ASN A 90 19.360 -10.783 1.366 1.00 0.00 H new ATOM 0 HA ASN A 90 17.616 -12.852 0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 90 19.722 -14.018 -0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 90 19.682 -12.399 -0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 90 22.461 -11.181 0.938 1.00 0.00 H new ATOM 0 HD22 ASN A 90 21.057 -10.772 -0.053 1.00 0.00 H new ATOM 1487 N ARG A 91 17.407 -14.321 2.256 1.00 0.00 N ATOM 1488 CA ARG A 91 17.264 -15.235 3.373 1.00 0.00 C ATOM 1489 C ARG A 91 16.772 -16.585 2.874 1.00 0.00 C ATOM 1490 O ARG A 91 15.565 -16.817 2.792 1.00 0.00 O ATOM 1491 CB ARG A 91 16.294 -14.670 4.411 1.00 0.00 C ATOM 1492 CG ARG A 91 16.428 -15.306 5.786 1.00 0.00 C ATOM 1493 CD ARG A 91 17.762 -14.958 6.429 1.00 0.00 C ATOM 1494 NE ARG A 91 17.914 -13.512 6.615 1.00 0.00 N ATOM 1495 CZ ARG A 91 19.076 -12.860 6.547 1.00 0.00 C ATOM 1496 NH1 ARG A 91 20.207 -13.523 6.353 1.00 0.00 N ATOM 1497 NH2 ARG A 91 19.101 -11.540 6.694 1.00 0.00 N ATOM 0 H ARG A 91 16.645 -14.358 1.578 1.00 0.00 H new ATOM 0 HA ARG A 91 18.237 -15.362 3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 91 16.457 -13.596 4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.273 -14.809 4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 91 15.614 -14.967 6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 91 16.335 -16.389 5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 91 17.843 -15.459 7.393 1.00 0.00 H new ATOM 0 HD3 ARG A 91 18.575 -15.332 5.806 1.00 0.00 H new ATOM 0 HE ARG A 91 17.074 -12.967 6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 91 20.193 -14.538 6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 91 21.092 -13.018 6.302 1.00 0.00 H new ATOM 0 HH21 ARG A 91 18.234 -11.029 6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 91 19.987 -11.038 6.643 1.00 0.00 H new ATOM 1511 N ALA A 92 17.721 -17.441 2.496 1.00 0.00 N ATOM 1512 CA ALA A 92 17.424 -18.785 2.003 1.00 0.00 C ATOM 1513 C ALA A 92 16.597 -18.732 0.717 1.00 0.00 C ATOM 1514 O ALA A 92 15.369 -18.647 0.753 1.00 0.00 O ATOM 1515 CB ALA A 92 16.713 -19.610 3.070 1.00 0.00 C ATOM 0 H ALA A 92 18.717 -17.222 2.523 1.00 0.00 H new ATOM 0 HA ALA A 92 18.371 -19.272 1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.503 -20.606 2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 92 17.350 -19.693 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 92 15.777 -19.122 3.344 1.00 0.00 H new ATOM 1521 N LYS A 93 17.278 -18.777 -0.419 1.00 0.00 N ATOM 1522 CA LYS A 93 16.619 -18.664 -1.710 1.00 0.00 C ATOM 1523 C LYS A 93 16.606 -20.003 -2.429 1.00 0.00 C ATOM 1524 O LYS A 93 17.517 -20.816 -2.266 1.00 0.00 O ATOM 1525 CB LYS A 93 17.339 -17.633 -2.589 1.00 0.00 C ATOM 1526 CG LYS A 93 16.650 -17.369 -3.922 1.00 0.00 C ATOM 1527 CD LYS A 93 17.550 -16.602 -4.880 1.00 0.00 C ATOM 1528 CE LYS A 93 18.681 -17.472 -5.417 1.00 0.00 C ATOM 1529 NZ LYS A 93 18.190 -18.529 -6.344 1.00 0.00 N ATOM 0 H LYS A 93 18.290 -18.891 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 93 15.593 -18.342 -1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.418 -16.695 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.355 -17.978 -2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.360 -18.317 -4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.734 -16.803 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.956 -16.224 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.970 -15.736 -4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.404 -16.844 -5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.205 -17.938 -4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.900 -18.698 -7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.028 -19.409 -5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.299 -18.220 -6.782 1.00 0.00 H new ATOM 1543 N ASP A 94 15.567 -20.232 -3.212 1.00 0.00 N ATOM 1544 CA ASP A 94 15.536 -21.366 -4.113 1.00 0.00 C ATOM 1545 C ASP A 94 15.983 -20.907 -5.492 1.00 0.00 C ATOM 1546 O ASP A 94 15.141 -20.389 -6.253 1.00 0.00 O ATOM 1547 CB ASP A 94 14.137 -21.980 -4.179 1.00 0.00 C ATOM 1548 CG ASP A 94 14.074 -23.177 -5.108 1.00 0.00 C ATOM 1549 OD1 ASP A 94 14.661 -24.230 -4.773 1.00 0.00 O ATOM 1550 OD2 ASP A 94 13.415 -23.082 -6.163 1.00 0.00 O ATOM 1551 OXT ASP A 94 17.192 -21.004 -5.784 1.00 0.00 O ATOM 0 H ASP A 94 14.733 -19.646 -3.241 1.00 0.00 H new ATOM 0 HA ASP A 94 16.212 -22.137 -3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.829 -22.283 -3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 94 13.427 -21.224 -4.516 1.00 0.00 H new TER 1556 ASP A 94