USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 755 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 14 SER OG : rot -144:sc= -0.0155 USER MOD Set 1.2: A 16 MET CE :methyl -163:sc= -2.09 (180deg=-2.49!) USER MOD Set 1.3: A 69 THR OG1 : rot 7:sc= -0.587 USER MOD Set 2.1: A 5 HIS : no HD1:sc= -0.208 X(o=-0.44,f=-0.58) USER MOD Set 2.2: A 7 SER OG : rot -36:sc= -0.229! USER MOD Set 3.1: A 2 HIS : no HD1:sc= -0.292 K(o=-0.41,f=0.3) USER MOD Set 3.2: A 4 HIS : no HE2:sc= -0.114 K(o=-0.41,f=-1.5) USER MOD Single : A 0 HIS : no HD1:sc=-0.00998 X(o=-0.01,f=0) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.00048) USER MOD Single : A 3 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0.0132 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 MET N :NH3+ -132:sc= 0.85 (180deg=-0.0275) USER MOD Single : A 15 HIS : no HD1:sc= -0.283 K(o=-0.28,f=-1.3) USER MOD Single : A 17 SER OG : rot -60:sc= -0.553 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.278 K(o=-0.28,f=-2!) USER MOD Single : A 27 CYS SG : rot 180:sc= -0.19 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.0113 (180deg=-0.143) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.15) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -112:sc= -0.322 (180deg=-2.81!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.531 K(o=-0.53,f=-1.9) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.7!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -4.54 K(o=-4.5,f=-3.9) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00171 USER MOD Single : A 73 ASN : amide:sc= -0.0099 X(o=-0.0099,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 127:sc= 1.02 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 11.987 8.213 4.132 1.00 0.00 N ATOM 2 CA MET A -4 10.608 8.305 3.667 1.00 0.00 C ATOM 3 C MET A -4 10.004 6.917 3.480 1.00 0.00 C ATOM 4 O MET A -4 10.647 5.906 3.761 1.00 0.00 O ATOM 5 CB MET A -4 10.542 9.084 2.352 1.00 0.00 C ATOM 6 CG MET A -4 11.297 8.418 1.213 1.00 0.00 C ATOM 7 SD MET A -4 13.022 8.937 1.126 1.00 0.00 S ATOM 8 CE MET A -4 12.860 10.509 0.282 1.00 0.00 C ATOM 0 H1 MET A -4 12.125 8.854 4.940 1.00 0.00 H new ATOM 0 H2 MET A -4 12.190 7.236 4.426 1.00 0.00 H new ATOM 0 H3 MET A -4 12.632 8.483 3.362 1.00 0.00 H new ATOM 0 HA MET A -4 10.030 8.835 4.424 1.00 0.00 H new ATOM 0 HB2 MET A -4 9.498 9.205 2.063 1.00 0.00 H new ATOM 0 HB3 MET A -4 10.947 10.083 2.510 1.00 0.00 H new ATOM 0 HG2 MET A -4 11.253 7.336 1.337 1.00 0.00 H new ATOM 0 HG3 MET A -4 10.803 8.651 0.270 1.00 0.00 H new ATOM 0 HE1 MET A -4 13.846 10.956 0.153 1.00 0.00 H new ATOM 0 HE2 MET A -4 12.402 10.352 -0.695 1.00 0.00 H new ATOM 0 HE3 MET A -4 12.233 11.177 0.873 1.00 0.00 H new ATOM 18 N GLY A -3 8.762 6.876 3.005 1.00 0.00 N ATOM 19 CA GLY A -3 8.092 5.607 2.790 1.00 0.00 C ATOM 20 C GLY A -3 7.473 5.504 1.411 1.00 0.00 C ATOM 21 O GLY A -3 7.188 6.519 0.774 1.00 0.00 O ATOM 0 H GLY A -3 8.209 7.699 2.766 1.00 0.00 H new ATOM 0 HA2 GLY A -3 8.806 4.795 2.926 1.00 0.00 H new ATOM 0 HA3 GLY A -3 7.315 5.477 3.544 1.00 0.00 H new ATOM 25 N SER A -2 7.265 4.276 0.946 1.00 0.00 N ATOM 26 CA SER A -2 6.680 4.045 -0.369 1.00 0.00 C ATOM 27 C SER A -2 5.631 2.940 -0.311 1.00 0.00 C ATOM 28 O SER A -2 5.740 2.006 0.484 1.00 0.00 O ATOM 29 CB SER A -2 7.771 3.677 -1.377 1.00 0.00 C ATOM 30 OG SER A -2 8.183 2.331 -1.213 1.00 0.00 O ATOM 0 H SER A -2 7.493 3.426 1.461 1.00 0.00 H new ATOM 0 HA SER A -2 6.193 4.966 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A -2 7.399 3.826 -2.391 1.00 0.00 H new ATOM 0 HB3 SER A -2 8.626 4.341 -1.250 1.00 0.00 H new ATOM 0 HG SER A -2 8.879 2.120 -1.870 1.00 0.00 H new ATOM 36 N SER A -1 4.613 3.053 -1.159 1.00 0.00 N ATOM 37 CA SER A -1 3.541 2.066 -1.202 1.00 0.00 C ATOM 38 C SER A -1 4.038 0.749 -1.791 1.00 0.00 C ATOM 39 O SER A -1 5.208 0.620 -2.154 1.00 0.00 O ATOM 40 CB SER A -1 2.366 2.594 -2.026 1.00 0.00 C ATOM 41 OG SER A -1 2.257 4.003 -1.915 1.00 0.00 O ATOM 0 H SER A -1 4.509 3.818 -1.825 1.00 0.00 H new ATOM 0 HA SER A -1 3.207 1.884 -0.180 1.00 0.00 H new ATOM 0 HB2 SER A -1 2.498 2.318 -3.072 1.00 0.00 H new ATOM 0 HB3 SER A -1 1.441 2.127 -1.687 1.00 0.00 H new ATOM 0 HG SER A -1 1.499 4.316 -2.452 1.00 0.00 H new ATOM 47 N HIS A 0 3.141 -0.227 -1.883 1.00 0.00 N ATOM 48 CA HIS A 0 3.487 -1.535 -2.429 1.00 0.00 C ATOM 49 C HIS A 0 3.188 -1.597 -3.923 1.00 0.00 C ATOM 50 O HIS A 0 2.341 -0.858 -4.428 1.00 0.00 O ATOM 51 CB HIS A 0 2.719 -2.636 -1.697 1.00 0.00 C ATOM 52 CG HIS A 0 3.348 -3.045 -0.400 1.00 0.00 C ATOM 53 ND1 HIS A 0 3.071 -4.241 0.226 1.00 0.00 N ATOM 54 CD2 HIS A 0 4.246 -2.409 0.387 1.00 0.00 C ATOM 55 CE1 HIS A 0 3.770 -4.323 1.344 1.00 0.00 C ATOM 56 NE2 HIS A 0 4.492 -3.224 1.465 1.00 0.00 N ATOM 0 H HIS A 0 2.169 -0.137 -1.587 1.00 0.00 H new ATOM 0 HA HIS A 0 4.556 -1.690 -2.284 1.00 0.00 H new ATOM 0 HB2 HIS A 0 1.702 -2.293 -1.506 1.00 0.00 H new ATOM 0 HB3 HIS A 0 2.644 -3.508 -2.346 1.00 0.00 H new ATOM 0 HD2 HIS A 0 4.687 -1.441 0.202 1.00 0.00 H new ATOM 0 HE1 HIS A 0 3.754 -5.148 2.040 1.00 0.00 H new ATOM 0 HE2 HIS A 0 5.129 -3.014 2.234 1.00 0.00 H new ATOM 64 N HIS A 1 3.888 -2.482 -4.626 1.00 0.00 N ATOM 65 CA HIS A 1 3.697 -2.640 -6.063 1.00 0.00 C ATOM 66 C HIS A 1 3.711 -4.114 -6.455 1.00 0.00 C ATOM 67 O HIS A 1 3.840 -4.993 -5.601 1.00 0.00 O ATOM 68 CB HIS A 1 4.784 -1.886 -6.830 1.00 0.00 C ATOM 69 CG HIS A 1 4.523 -0.416 -6.950 1.00 0.00 C ATOM 70 ND1 HIS A 1 3.545 0.110 -7.767 1.00 0.00 N ATOM 71 CD2 HIS A 1 5.118 0.641 -6.349 1.00 0.00 C ATOM 72 CE1 HIS A 1 3.550 1.427 -7.665 1.00 0.00 C ATOM 73 NE2 HIS A 1 4.496 1.775 -6.810 1.00 0.00 N ATOM 0 H HIS A 1 4.592 -3.100 -4.224 1.00 0.00 H new ATOM 0 HA HIS A 1 2.724 -2.223 -6.322 1.00 0.00 H new ATOM 0 HB2 HIS A 1 5.741 -2.037 -6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 1 4.875 -2.313 -7.829 1.00 0.00 H new ATOM 0 HD2 HIS A 1 5.931 0.600 -5.639 1.00 0.00 H new ATOM 0 HE1 HIS A 1 2.893 2.104 -8.191 1.00 0.00 H new ATOM 0 HE2 HIS A 1 4.726 2.730 -6.537 1.00 0.00 H new ATOM 81 N HIS A 2 3.578 -4.379 -7.751 1.00 0.00 N ATOM 82 CA HIS A 2 3.576 -5.748 -8.255 1.00 0.00 C ATOM 83 C HIS A 2 4.103 -5.800 -9.686 1.00 0.00 C ATOM 84 O HIS A 2 4.120 -4.790 -10.389 1.00 0.00 O ATOM 85 CB HIS A 2 2.165 -6.333 -8.197 1.00 0.00 C ATOM 86 CG HIS A 2 2.140 -7.821 -8.026 1.00 0.00 C ATOM 87 ND1 HIS A 2 1.074 -8.605 -8.414 1.00 0.00 N ATOM 88 CD2 HIS A 2 3.059 -8.668 -7.506 1.00 0.00 C ATOM 89 CE1 HIS A 2 1.338 -9.870 -8.139 1.00 0.00 C ATOM 90 NE2 HIS A 2 2.537 -9.935 -7.588 1.00 0.00 N ATOM 0 H HIS A 2 3.470 -3.664 -8.471 1.00 0.00 H new ATOM 0 HA HIS A 2 4.234 -6.343 -7.622 1.00 0.00 H new ATOM 0 HB2 HIS A 2 1.623 -5.872 -7.372 1.00 0.00 H new ATOM 0 HB3 HIS A 2 1.634 -6.072 -9.113 1.00 0.00 H new ATOM 0 HD2 HIS A 2 4.023 -8.397 -7.102 1.00 0.00 H new ATOM 0 HE1 HIS A 2 0.685 -10.708 -8.332 1.00 0.00 H new ATOM 0 HE2 HIS A 2 3.000 -10.788 -7.274 1.00 0.00 H new ATOM 98 N HIS A 3 4.532 -6.985 -10.110 1.00 0.00 N ATOM 99 CA HIS A 3 5.059 -7.169 -11.458 1.00 0.00 C ATOM 100 C HIS A 3 5.219 -8.651 -11.781 1.00 0.00 C ATOM 101 O HIS A 3 5.296 -9.488 -10.881 1.00 0.00 O ATOM 102 CB HIS A 3 6.404 -6.455 -11.604 1.00 0.00 C ATOM 103 CG HIS A 3 7.410 -6.856 -10.569 1.00 0.00 C ATOM 104 ND1 HIS A 3 8.393 -7.795 -10.799 1.00 0.00 N ATOM 105 CD2 HIS A 3 7.583 -6.437 -9.294 1.00 0.00 C ATOM 106 CE1 HIS A 3 9.126 -7.938 -9.709 1.00 0.00 C ATOM 107 NE2 HIS A 3 8.655 -7.125 -8.781 1.00 0.00 N ATOM 0 H HIS A 3 4.525 -7.831 -9.540 1.00 0.00 H new ATOM 0 HA HIS A 3 4.348 -6.737 -12.162 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.811 -6.662 -12.594 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.243 -5.379 -11.545 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.989 -5.699 -8.776 1.00 0.00 H new ATOM 0 HE1 HIS A 3 9.967 -8.606 -9.596 1.00 0.00 H new ATOM 0 HE2 HIS A 3 9.027 -7.024 -7.837 1.00 0.00 H new ATOM 115 N HIS A 4 5.268 -8.969 -13.071 1.00 0.00 N ATOM 116 CA HIS A 4 5.418 -10.351 -13.512 1.00 0.00 C ATOM 117 C HIS A 4 6.289 -10.430 -14.763 1.00 0.00 C ATOM 118 O HIS A 4 6.708 -9.407 -15.306 1.00 0.00 O ATOM 119 CB HIS A 4 4.049 -10.972 -13.791 1.00 0.00 C ATOM 120 CG HIS A 4 3.322 -11.399 -12.553 1.00 0.00 C ATOM 121 ND1 HIS A 4 3.312 -12.700 -12.097 1.00 0.00 N ATOM 122 CD2 HIS A 4 2.580 -10.688 -11.672 1.00 0.00 C ATOM 123 CE1 HIS A 4 2.593 -12.772 -10.991 1.00 0.00 C ATOM 124 NE2 HIS A 4 2.138 -11.564 -10.711 1.00 0.00 N ATOM 0 H HIS A 4 5.206 -8.289 -13.829 1.00 0.00 H new ATOM 0 HA HIS A 4 5.906 -10.910 -12.714 1.00 0.00 H new ATOM 0 HB2 HIS A 4 3.436 -10.252 -14.332 1.00 0.00 H new ATOM 0 HB3 HIS A 4 4.177 -11.836 -14.444 1.00 0.00 H new ATOM 0 HD1 HIS A 4 3.786 -13.485 -12.544 1.00 0.00 H new ATOM 0 HD2 HIS A 4 2.374 -9.629 -11.716 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.409 -13.666 -10.414 1.00 0.00 H new ATOM 132 N HIS A 5 6.559 -11.651 -15.214 1.00 0.00 N ATOM 133 CA HIS A 5 7.380 -11.863 -16.400 1.00 0.00 C ATOM 134 C HIS A 5 7.294 -13.312 -16.869 1.00 0.00 C ATOM 135 O HIS A 5 7.120 -14.226 -16.063 1.00 0.00 O ATOM 136 CB HIS A 5 8.836 -11.494 -16.112 1.00 0.00 C ATOM 137 CG HIS A 5 9.738 -11.643 -17.298 1.00 0.00 C ATOM 138 ND1 HIS A 5 10.736 -12.591 -17.370 1.00 0.00 N ATOM 139 CD2 HIS A 5 9.788 -10.957 -18.464 1.00 0.00 C ATOM 140 CE1 HIS A 5 11.362 -12.482 -18.528 1.00 0.00 C ATOM 141 NE2 HIS A 5 10.805 -11.498 -19.211 1.00 0.00 N ATOM 0 H HIS A 5 6.221 -12.508 -14.776 1.00 0.00 H new ATOM 0 HA HIS A 5 7.000 -11.219 -17.193 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.878 -10.463 -15.761 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.208 -12.122 -15.302 1.00 0.00 H new ATOM 0 HD2 HIS A 5 9.147 -10.137 -18.753 1.00 0.00 H new ATOM 0 HE1 HIS A 5 12.188 -13.093 -18.860 1.00 0.00 H new ATOM 0 HE2 HIS A 5 11.085 -11.190 -20.142 1.00 0.00 H new ATOM 149 N SER A 6 7.415 -13.515 -18.177 1.00 0.00 N ATOM 150 CA SER A 6 7.346 -14.853 -18.753 1.00 0.00 C ATOM 151 C SER A 6 8.490 -15.080 -19.737 1.00 0.00 C ATOM 152 O SER A 6 9.070 -14.129 -20.262 1.00 0.00 O ATOM 153 CB SER A 6 6.004 -15.059 -19.457 1.00 0.00 C ATOM 154 OG SER A 6 5.592 -13.879 -20.126 1.00 0.00 O ATOM 0 H SER A 6 7.561 -12.770 -18.858 1.00 0.00 H new ATOM 0 HA SER A 6 7.438 -15.576 -17.943 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.087 -15.876 -20.173 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.248 -15.350 -18.728 1.00 0.00 H new ATOM 0 HG SER A 6 4.733 -14.037 -20.569 1.00 0.00 H new ATOM 160 N SER A 7 8.808 -16.347 -19.983 1.00 0.00 N ATOM 161 CA SER A 7 9.884 -16.701 -20.901 1.00 0.00 C ATOM 162 C SER A 7 9.723 -18.133 -21.401 1.00 0.00 C ATOM 163 O SER A 7 9.475 -19.051 -20.620 1.00 0.00 O ATOM 164 CB SER A 7 11.242 -16.537 -20.215 1.00 0.00 C ATOM 165 OG SER A 7 11.256 -15.394 -19.378 1.00 0.00 O ATOM 0 H SER A 7 8.336 -17.146 -19.559 1.00 0.00 H new ATOM 0 HA SER A 7 9.834 -16.029 -21.757 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.465 -17.426 -19.625 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.025 -16.450 -20.968 1.00 0.00 H new ATOM 0 HG SER A 7 10.726 -14.680 -19.790 1.00 0.00 H new ATOM 171 N GLY A 8 9.866 -18.316 -22.710 1.00 0.00 N ATOM 172 CA GLY A 8 9.733 -19.639 -23.293 1.00 0.00 C ATOM 173 C GLY A 8 9.048 -19.610 -24.645 1.00 0.00 C ATOM 174 O GLY A 8 9.466 -18.882 -25.546 1.00 0.00 O ATOM 0 H GLY A 8 10.071 -17.572 -23.377 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.721 -20.087 -23.399 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.165 -20.276 -22.615 1.00 0.00 H new ATOM 178 N LEU A 9 7.993 -20.405 -24.789 1.00 0.00 N ATOM 179 CA LEU A 9 7.249 -20.469 -26.042 1.00 0.00 C ATOM 180 C LEU A 9 5.883 -19.806 -25.899 1.00 0.00 C ATOM 181 O LEU A 9 5.621 -18.764 -26.500 1.00 0.00 O ATOM 182 CB LEU A 9 7.079 -21.924 -26.482 1.00 0.00 C ATOM 183 CG LEU A 9 8.227 -22.517 -27.299 1.00 0.00 C ATOM 184 CD1 LEU A 9 9.464 -22.694 -26.432 1.00 0.00 C ATOM 185 CD2 LEU A 9 7.812 -23.845 -27.917 1.00 0.00 C ATOM 0 H LEU A 9 7.634 -21.014 -24.054 1.00 0.00 H new ATOM 0 HA LEU A 9 7.816 -19.930 -26.801 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.938 -22.538 -25.592 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.164 -22.000 -27.070 1.00 0.00 H new ATOM 0 HG LEU A 9 8.469 -21.824 -28.105 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.270 -23.117 -27.031 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.774 -21.726 -26.038 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.235 -23.366 -25.605 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.642 -24.252 -28.495 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.542 -24.545 -27.127 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.955 -23.689 -28.572 1.00 0.00 H new ATOM 197 N VAL A 10 5.016 -20.416 -25.097 1.00 0.00 N ATOM 198 CA VAL A 10 3.678 -19.883 -24.872 1.00 0.00 C ATOM 199 C VAL A 10 3.568 -19.238 -23.495 1.00 0.00 C ATOM 200 O VAL A 10 3.990 -19.798 -22.483 1.00 0.00 O ATOM 201 CB VAL A 10 2.607 -20.982 -24.999 1.00 0.00 C ATOM 202 CG1 VAL A 10 2.881 -22.111 -24.016 1.00 0.00 C ATOM 203 CG2 VAL A 10 1.218 -20.401 -24.781 1.00 0.00 C ATOM 0 H VAL A 10 5.216 -21.280 -24.592 1.00 0.00 H new ATOM 0 HA VAL A 10 3.505 -19.128 -25.639 1.00 0.00 H new ATOM 0 HB VAL A 10 2.650 -21.392 -26.008 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.114 -22.878 -24.120 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.859 -22.545 -24.224 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.867 -21.719 -22.999 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.474 -21.192 -24.875 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.159 -19.963 -23.785 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.024 -19.631 -25.528 1.00 0.00 H new ATOM 213 N PRO A 11 2.985 -18.030 -23.452 1.00 0.00 N ATOM 214 CA PRO A 11 2.805 -17.282 -22.204 1.00 0.00 C ATOM 215 C PRO A 11 1.767 -17.923 -21.289 1.00 0.00 C ATOM 216 O PRO A 11 0.912 -18.684 -21.742 1.00 0.00 O ATOM 217 CB PRO A 11 2.323 -15.909 -22.680 1.00 0.00 C ATOM 218 CG PRO A 11 1.686 -16.169 -24.001 1.00 0.00 C ATOM 219 CD PRO A 11 2.458 -17.302 -24.618 1.00 0.00 C ATOM 0 HA PRO A 11 3.721 -17.247 -21.614 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.613 -15.473 -21.977 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.153 -15.208 -22.772 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.635 -16.432 -23.882 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.723 -15.282 -24.633 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.819 -17.936 -25.232 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.260 -16.939 -25.261 1.00 0.00 H new ATOM 227 N ARG A 12 1.848 -17.611 -20.000 1.00 0.00 N ATOM 228 CA ARG A 12 0.915 -18.158 -19.021 1.00 0.00 C ATOM 229 C ARG A 12 0.759 -17.214 -17.833 1.00 0.00 C ATOM 230 O ARG A 12 1.734 -16.633 -17.356 1.00 0.00 O ATOM 231 CB ARG A 12 1.395 -19.528 -18.539 1.00 0.00 C ATOM 232 CG ARG A 12 2.842 -19.538 -18.074 1.00 0.00 C ATOM 233 CD ARG A 12 3.085 -20.620 -17.033 1.00 0.00 C ATOM 234 NE ARG A 12 4.275 -21.411 -17.334 1.00 0.00 N ATOM 235 CZ ARG A 12 4.363 -22.243 -18.366 1.00 0.00 C ATOM 236 NH1 ARG A 12 3.336 -22.392 -19.191 1.00 0.00 N ATOM 237 NH2 ARG A 12 5.480 -22.928 -18.574 1.00 0.00 N ATOM 0 H ARG A 12 2.550 -16.983 -19.609 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.056 -18.270 -19.503 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.757 -19.860 -17.720 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.277 -20.250 -19.347 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.499 -19.700 -18.929 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.098 -18.565 -17.655 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.194 -20.160 -16.051 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.216 -21.277 -16.983 1.00 0.00 H new ATOM 0 HE ARG A 12 5.083 -21.320 -16.718 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.476 -21.867 -19.034 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.406 -23.031 -19.983 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.272 -22.816 -17.941 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.547 -23.567 -19.367 1.00 0.00 H new ATOM 251 N GLY A 13 -0.474 -17.065 -17.359 1.00 0.00 N ATOM 252 CA GLY A 13 -0.736 -16.191 -16.231 1.00 0.00 C ATOM 253 C GLY A 13 -0.346 -14.752 -16.510 1.00 0.00 C ATOM 254 O GLY A 13 0.508 -14.189 -15.826 1.00 0.00 O ATOM 0 H GLY A 13 -1.297 -17.535 -17.737 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.796 -16.235 -15.980 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.187 -16.551 -15.361 1.00 0.00 H new ATOM 258 N SER A 14 -0.973 -14.157 -17.519 1.00 0.00 N ATOM 259 CA SER A 14 -0.684 -12.777 -17.891 1.00 0.00 C ATOM 260 C SER A 14 -1.800 -11.844 -17.431 1.00 0.00 C ATOM 261 O SER A 14 -2.714 -12.257 -16.716 1.00 0.00 O ATOM 262 CB SER A 14 -0.501 -12.662 -19.406 1.00 0.00 C ATOM 263 OG SER A 14 -1.678 -13.048 -20.093 1.00 0.00 O ATOM 0 H SER A 14 -1.684 -14.609 -18.094 1.00 0.00 H new ATOM 0 HA SER A 14 0.241 -12.481 -17.396 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.244 -11.636 -19.667 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.331 -13.290 -19.723 1.00 0.00 H new ATOM 0 HG SER A 14 -1.436 -13.509 -20.923 1.00 0.00 H new ATOM 269 N HIS A 15 -1.719 -10.584 -17.846 1.00 0.00 N ATOM 270 CA HIS A 15 -2.722 -9.592 -17.477 1.00 0.00 C ATOM 271 C HIS A 15 -3.123 -8.750 -18.684 1.00 0.00 C ATOM 272 O HIS A 15 -3.394 -7.556 -18.558 1.00 0.00 O ATOM 273 CB HIS A 15 -2.191 -8.688 -16.364 1.00 0.00 C ATOM 274 CG HIS A 15 -2.025 -9.389 -15.051 1.00 0.00 C ATOM 275 ND1 HIS A 15 -1.057 -10.346 -14.826 1.00 0.00 N ATOM 276 CD2 HIS A 15 -2.708 -9.267 -13.889 1.00 0.00 C ATOM 277 CE1 HIS A 15 -1.154 -10.783 -13.583 1.00 0.00 C ATOM 278 NE2 HIS A 15 -2.148 -10.144 -12.993 1.00 0.00 N ATOM 0 H HIS A 15 -0.969 -10.226 -18.438 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.604 -10.121 -17.116 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.230 -8.275 -16.670 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.872 -7.847 -16.234 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.539 -8.603 -13.701 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.527 -11.535 -13.127 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.451 -10.280 -12.028 1.00 0.00 H new ATOM 286 N MET A 16 -3.158 -9.380 -19.854 1.00 0.00 N ATOM 287 CA MET A 16 -3.526 -8.688 -21.084 1.00 0.00 C ATOM 288 C MET A 16 -4.615 -9.450 -21.831 1.00 0.00 C ATOM 289 O MET A 16 -4.811 -10.646 -21.613 1.00 0.00 O ATOM 290 CB MET A 16 -2.300 -8.514 -21.983 1.00 0.00 C ATOM 291 CG MET A 16 -1.735 -9.827 -22.500 1.00 0.00 C ATOM 292 SD MET A 16 0.059 -9.789 -22.677 1.00 0.00 S ATOM 293 CE MET A 16 0.446 -11.535 -22.573 1.00 0.00 C ATOM 0 H MET A 16 -2.936 -10.368 -19.976 1.00 0.00 H new ATOM 0 HA MET A 16 -3.914 -7.705 -20.817 1.00 0.00 H new ATOM 0 HB2 MET A 16 -2.568 -7.884 -22.831 1.00 0.00 H new ATOM 0 HB3 MET A 16 -1.524 -7.987 -21.427 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.012 -10.631 -21.818 1.00 0.00 H new ATOM 0 HG3 MET A 16 -2.187 -10.058 -23.465 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.508 -11.660 -22.363 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.138 -11.990 -21.773 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.204 -12.018 -23.519 1.00 0.00 H new ATOM 303 N SER A 17 -5.322 -8.751 -22.713 1.00 0.00 N ATOM 304 CA SER A 17 -6.395 -9.361 -23.490 1.00 0.00 C ATOM 305 C SER A 17 -6.381 -8.853 -24.928 1.00 0.00 C ATOM 306 O SER A 17 -6.323 -7.647 -25.172 1.00 0.00 O ATOM 307 CB SER A 17 -7.751 -9.068 -22.845 1.00 0.00 C ATOM 308 OG SER A 17 -7.703 -9.269 -21.444 1.00 0.00 O ATOM 0 H SER A 17 -5.171 -7.761 -22.908 1.00 0.00 H new ATOM 0 HA SER A 17 -6.233 -10.439 -23.503 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.044 -8.040 -23.058 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.512 -9.714 -23.282 1.00 0.00 H new ATOM 0 HG SER A 17 -7.462 -10.200 -21.255 1.00 0.00 H new ATOM 314 N VAL A 18 -6.437 -9.781 -25.878 1.00 0.00 N ATOM 315 CA VAL A 18 -6.432 -9.428 -27.293 1.00 0.00 C ATOM 316 C VAL A 18 -7.823 -9.013 -27.760 1.00 0.00 C ATOM 317 O VAL A 18 -7.985 -8.472 -28.854 1.00 0.00 O ATOM 318 CB VAL A 18 -5.939 -10.600 -28.162 1.00 0.00 C ATOM 319 CG1 VAL A 18 -6.913 -11.766 -28.088 1.00 0.00 C ATOM 320 CG2 VAL A 18 -5.743 -10.149 -29.602 1.00 0.00 C ATOM 0 H VAL A 18 -6.486 -10.783 -25.694 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.747 -8.588 -27.408 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.977 -10.937 -27.776 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.548 -12.585 -28.708 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.999 -12.103 -27.055 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.891 -11.446 -28.448 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.394 -10.989 -30.202 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.690 -9.786 -30.002 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.004 -9.348 -29.635 1.00 0.00 H new ATOM 330 N ASP A 19 -8.823 -9.269 -26.924 1.00 0.00 N ATOM 331 CA ASP A 19 -10.201 -8.920 -27.250 1.00 0.00 C ATOM 332 C ASP A 19 -10.405 -7.409 -27.200 1.00 0.00 C ATOM 333 O ASP A 19 -11.445 -6.900 -27.619 1.00 0.00 O ATOM 334 CB ASP A 19 -11.166 -9.611 -26.286 1.00 0.00 C ATOM 335 CG ASP A 19 -12.609 -9.510 -26.739 1.00 0.00 C ATOM 336 OD1 ASP A 19 -12.903 -9.930 -27.878 1.00 0.00 O ATOM 337 OD2 ASP A 19 -13.444 -9.009 -25.957 1.00 0.00 O ATOM 0 H ASP A 19 -8.705 -9.717 -26.015 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.407 -9.262 -28.264 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.891 -10.661 -26.192 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.067 -9.166 -25.296 1.00 0.00 H new ATOM 342 N ASP A 20 -9.408 -6.699 -26.685 1.00 0.00 N ATOM 343 CA ASP A 20 -9.479 -5.246 -26.580 1.00 0.00 C ATOM 344 C ASP A 20 -8.711 -4.581 -27.718 1.00 0.00 C ATOM 345 O ASP A 20 -8.999 -3.444 -28.092 1.00 0.00 O ATOM 346 CB ASP A 20 -8.921 -4.783 -25.233 1.00 0.00 C ATOM 347 CG ASP A 20 -8.665 -3.290 -25.195 1.00 0.00 C ATOM 348 OD1 ASP A 20 -9.647 -2.519 -25.214 1.00 0.00 O ATOM 349 OD2 ASP A 20 -7.482 -2.891 -25.147 1.00 0.00 O ATOM 0 H ASP A 20 -8.541 -7.105 -26.334 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.526 -4.952 -26.651 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.622 -5.049 -24.442 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.991 -5.313 -25.026 1.00 0.00 H new ATOM 354 N ILE A 21 -7.733 -5.297 -28.263 1.00 0.00 N ATOM 355 CA ILE A 21 -6.925 -4.776 -29.358 1.00 0.00 C ATOM 356 C ILE A 21 -7.635 -4.950 -30.696 1.00 0.00 C ATOM 357 O ILE A 21 -8.200 -6.007 -30.978 1.00 0.00 O ATOM 358 CB ILE A 21 -5.552 -5.471 -29.424 1.00 0.00 C ATOM 359 CG1 ILE A 21 -4.794 -5.277 -28.109 1.00 0.00 C ATOM 360 CG2 ILE A 21 -4.741 -4.931 -30.592 1.00 0.00 C ATOM 361 CD1 ILE A 21 -3.432 -5.935 -28.093 1.00 0.00 C ATOM 0 H ILE A 21 -7.481 -6.239 -27.964 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.777 -3.714 -29.164 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.709 -6.539 -29.578 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.675 -4.210 -27.922 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.392 -5.679 -27.292 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.773 -5.432 -30.625 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.277 -5.115 -31.523 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.590 -3.859 -30.466 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.953 -5.756 -27.130 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.544 -7.008 -28.249 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.816 -5.516 -28.889 1.00 0.00 H new ATOM 373 N ILE A 22 -7.600 -3.907 -31.518 1.00 0.00 N ATOM 374 CA ILE A 22 -8.237 -3.945 -32.828 1.00 0.00 C ATOM 375 C ILE A 22 -7.267 -3.516 -33.924 1.00 0.00 C ATOM 376 O ILE A 22 -6.081 -3.307 -33.670 1.00 0.00 O ATOM 377 CB ILE A 22 -9.481 -3.039 -32.876 1.00 0.00 C ATOM 378 CG1 ILE A 22 -9.074 -1.569 -32.752 1.00 0.00 C ATOM 379 CG2 ILE A 22 -10.456 -3.419 -31.772 1.00 0.00 C ATOM 380 CD1 ILE A 22 -10.243 -0.611 -32.804 1.00 0.00 C ATOM 0 H ILE A 22 -7.137 -3.025 -31.300 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.543 -4.977 -33.000 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.977 -3.179 -33.836 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.540 -1.427 -31.813 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.378 -1.324 -33.555 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.330 -2.770 -31.819 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.767 -4.456 -31.902 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.971 -3.304 -30.803 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.879 0.412 -32.710 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.765 -0.725 -33.754 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.929 -0.829 -31.985 1.00 0.00 H new ATOM 392 N ILE A 23 -7.781 -3.385 -35.143 1.00 0.00 N ATOM 393 CA ILE A 23 -6.961 -2.978 -36.277 1.00 0.00 C ATOM 394 C ILE A 23 -6.819 -1.461 -36.336 1.00 0.00 C ATOM 395 O ILE A 23 -7.728 -0.726 -35.949 1.00 0.00 O ATOM 396 CB ILE A 23 -7.552 -3.480 -37.608 1.00 0.00 C ATOM 397 CG1 ILE A 23 -7.909 -4.964 -37.505 1.00 0.00 C ATOM 398 CG2 ILE A 23 -6.570 -3.244 -38.746 1.00 0.00 C ATOM 399 CD1 ILE A 23 -6.719 -5.855 -37.226 1.00 0.00 C ATOM 0 H ILE A 23 -8.761 -3.555 -35.370 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.978 -3.427 -36.133 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.463 -2.920 -37.818 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.646 -5.098 -36.713 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.380 -5.281 -38.435 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.002 -3.604 -39.680 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.360 -2.178 -38.830 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.643 -3.781 -38.544 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.047 -6.893 -37.166 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.990 -5.751 -38.030 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.261 -5.564 -36.281 1.00 0.00 H new ATOM 411 N LYS A 24 -5.674 -0.998 -36.826 1.00 0.00 N ATOM 412 CA LYS A 24 -5.413 0.432 -36.940 1.00 0.00 C ATOM 413 C LYS A 24 -5.458 1.104 -35.572 1.00 0.00 C ATOM 414 O LYS A 24 -5.890 2.251 -35.447 1.00 0.00 O ATOM 415 CB LYS A 24 -6.434 1.085 -37.875 1.00 0.00 C ATOM 416 CG LYS A 24 -6.479 0.459 -39.258 1.00 0.00 C ATOM 417 CD LYS A 24 -7.886 0.478 -39.832 1.00 0.00 C ATOM 418 CE LYS A 24 -8.356 1.897 -40.111 1.00 0.00 C ATOM 419 NZ LYS A 24 -9.602 1.919 -40.925 1.00 0.00 N ATOM 0 H LYS A 24 -4.912 -1.593 -37.151 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.414 0.561 -37.356 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.423 1.018 -37.423 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.199 2.145 -37.972 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.806 0.998 -39.925 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.120 -0.569 -39.205 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.912 -0.103 -40.754 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.571 -0.003 -39.134 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.530 2.414 -39.167 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.571 2.443 -40.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.889 2.904 -41.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.430 1.448 -41.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.359 1.420 -40.415 1.00 0.00 H new ATOM 433 N CYS A 25 -5.008 0.385 -34.549 1.00 0.00 N ATOM 434 CA CYS A 25 -4.997 0.913 -33.190 1.00 0.00 C ATOM 435 C CYS A 25 -3.573 1.216 -32.736 1.00 0.00 C ATOM 436 O CYS A 25 -2.607 0.762 -33.349 1.00 0.00 O ATOM 437 CB CYS A 25 -5.650 -0.082 -32.229 1.00 0.00 C ATOM 438 SG CYS A 25 -6.538 0.692 -30.857 1.00 0.00 S ATOM 0 H CYS A 25 -4.646 -0.565 -34.635 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.567 1.842 -33.183 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.343 -0.710 -32.789 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.880 -0.739 -31.825 1.00 0.00 H new ATOM 0 HG CYS A 25 -7.057 -0.230 -30.101 1.00 0.00 H new ATOM 444 N GLN A 26 -3.451 1.988 -31.661 1.00 0.00 N ATOM 445 CA GLN A 26 -2.144 2.353 -31.127 1.00 0.00 C ATOM 446 C GLN A 26 -1.740 1.421 -29.990 1.00 0.00 C ATOM 447 O GLN A 26 -2.466 1.276 -29.005 1.00 0.00 O ATOM 448 CB GLN A 26 -2.158 3.801 -30.634 1.00 0.00 C ATOM 449 CG GLN A 26 -3.144 4.050 -29.504 1.00 0.00 C ATOM 450 CD GLN A 26 -3.731 5.447 -29.538 1.00 0.00 C ATOM 451 OE1 GLN A 26 -3.799 6.079 -30.593 1.00 0.00 O ATOM 452 NE2 GLN A 26 -4.160 5.938 -28.381 1.00 0.00 N ATOM 0 H GLN A 26 -4.241 2.373 -31.143 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.412 2.256 -31.929 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.157 4.071 -30.298 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.402 4.458 -31.469 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.951 3.320 -29.564 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.643 3.894 -28.549 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.084 5.380 -27.531 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.565 6.873 -28.343 1.00 0.00 H new ATOM 461 N CYS A 27 -0.580 0.790 -30.133 1.00 0.00 N ATOM 462 CA CYS A 27 -0.080 -0.130 -29.117 1.00 0.00 C ATOM 463 C CYS A 27 1.321 0.270 -28.664 1.00 0.00 C ATOM 464 O CYS A 27 2.229 0.420 -29.481 1.00 0.00 O ATOM 465 CB CYS A 27 -0.065 -1.560 -29.658 1.00 0.00 C ATOM 466 SG CYS A 27 -1.634 -2.438 -29.468 1.00 0.00 S ATOM 0 H CYS A 27 0.032 0.898 -30.942 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.748 -0.081 -28.257 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.199 -1.534 -30.715 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.717 -2.122 -29.148 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.522 -3.637 -29.957 1.00 0.00 H new ATOM 472 N TRP A 28 1.487 0.443 -27.358 1.00 0.00 N ATOM 473 CA TRP A 28 2.777 0.827 -26.796 1.00 0.00 C ATOM 474 C TRP A 28 3.756 -0.341 -26.832 1.00 0.00 C ATOM 475 O TRP A 28 3.449 -1.436 -26.361 1.00 0.00 O ATOM 476 CB TRP A 28 2.604 1.320 -25.358 1.00 0.00 C ATOM 477 CG TRP A 28 2.195 2.759 -25.269 1.00 0.00 C ATOM 478 CD1 TRP A 28 0.920 3.250 -25.271 1.00 0.00 C ATOM 479 CD2 TRP A 28 3.063 3.892 -25.166 1.00 0.00 C ATOM 480 NE1 TRP A 28 0.945 4.621 -25.176 1.00 0.00 N ATOM 481 CE2 TRP A 28 2.247 5.039 -25.109 1.00 0.00 C ATOM 482 CE3 TRP A 28 4.451 4.050 -25.114 1.00 0.00 C ATOM 483 CZ2 TRP A 28 2.775 6.323 -25.005 1.00 0.00 C ATOM 484 CZ3 TRP A 28 4.973 5.325 -25.011 1.00 0.00 C ATOM 485 CH2 TRP A 28 4.137 6.448 -24.956 1.00 0.00 C ATOM 0 H TRP A 28 0.745 0.324 -26.668 1.00 0.00 H new ATOM 0 HA TRP A 28 3.183 1.636 -27.403 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.855 0.705 -24.858 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.541 1.182 -24.819 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.025 2.650 -25.337 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.126 5.229 -25.158 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.104 3.191 -25.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.132 7.190 -24.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.044 5.458 -24.972 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.576 7.431 -24.873 1.00 0.00 H new ATOM 496 N VAL A 29 4.937 -0.101 -27.392 1.00 0.00 N ATOM 497 CA VAL A 29 5.962 -1.134 -27.488 1.00 0.00 C ATOM 498 C VAL A 29 7.010 -0.971 -26.392 1.00 0.00 C ATOM 499 O VAL A 29 7.777 -0.009 -26.392 1.00 0.00 O ATOM 500 CB VAL A 29 6.662 -1.105 -28.859 1.00 0.00 C ATOM 501 CG1 VAL A 29 7.744 -2.172 -28.929 1.00 0.00 C ATOM 502 CG2 VAL A 29 5.648 -1.289 -29.978 1.00 0.00 C ATOM 0 H VAL A 29 5.208 0.800 -27.786 1.00 0.00 H new ATOM 0 HA VAL A 29 5.458 -2.093 -27.366 1.00 0.00 H new ATOM 0 HB VAL A 29 7.136 -0.132 -28.985 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.228 -2.136 -29.905 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.485 -1.991 -28.150 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.296 -3.155 -28.782 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.160 -1.266 -30.940 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.144 -2.248 -29.858 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.913 -0.485 -29.939 1.00 0.00 H new ATOM 512 N GLN A 30 7.035 -1.918 -25.460 1.00 0.00 N ATOM 513 CA GLN A 30 7.989 -1.879 -24.357 1.00 0.00 C ATOM 514 C GLN A 30 9.265 -2.635 -24.714 1.00 0.00 C ATOM 515 O GLN A 30 9.295 -3.865 -24.702 1.00 0.00 O ATOM 516 CB GLN A 30 7.365 -2.476 -23.095 1.00 0.00 C ATOM 517 CG GLN A 30 8.101 -2.103 -21.818 1.00 0.00 C ATOM 518 CD GLN A 30 7.472 -2.713 -20.581 1.00 0.00 C ATOM 519 OE1 GLN A 30 6.261 -2.621 -20.377 1.00 0.00 O ATOM 520 NE2 GLN A 30 8.292 -3.342 -19.748 1.00 0.00 N ATOM 0 H GLN A 30 6.406 -2.721 -25.446 1.00 0.00 H new ATOM 0 HA GLN A 30 8.247 -0.837 -24.169 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.330 -2.143 -23.019 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.344 -3.562 -23.189 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.138 -2.430 -21.892 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.116 -1.018 -21.716 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.289 -3.394 -19.956 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.925 -3.773 -18.900 1.00 0.00 H new ATOM 529 N LYS A 31 10.318 -1.890 -25.033 1.00 0.00 N ATOM 530 CA LYS A 31 11.598 -2.488 -25.394 1.00 0.00 C ATOM 531 C LYS A 31 12.348 -2.957 -24.151 1.00 0.00 C ATOM 532 O LYS A 31 12.007 -2.581 -23.030 1.00 0.00 O ATOM 533 CB LYS A 31 12.453 -1.483 -26.170 1.00 0.00 C ATOM 534 CG LYS A 31 13.189 -2.095 -27.349 1.00 0.00 C ATOM 535 CD LYS A 31 12.224 -2.606 -28.405 1.00 0.00 C ATOM 536 CE LYS A 31 12.860 -2.609 -29.787 1.00 0.00 C ATOM 537 NZ LYS A 31 13.005 -1.231 -30.334 1.00 0.00 N ATOM 0 H LYS A 31 10.310 -0.870 -25.049 1.00 0.00 H new ATOM 0 HA LYS A 31 11.402 -3.353 -26.027 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.814 -0.676 -26.530 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.179 -1.036 -25.491 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.852 -1.351 -27.791 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.817 -2.915 -27.001 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.904 -3.616 -28.149 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.331 -1.981 -28.416 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.840 -3.084 -29.735 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.252 -3.207 -30.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.182 -1.281 -31.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.132 -0.694 -30.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.803 -0.755 -29.868 1.00 0.00 H new ATOM 551 N ASN A 32 13.371 -3.779 -24.358 1.00 0.00 N ATOM 552 CA ASN A 32 14.170 -4.299 -23.254 1.00 0.00 C ATOM 553 C ASN A 32 14.640 -3.169 -22.343 1.00 0.00 C ATOM 554 O ASN A 32 14.336 -3.152 -21.150 1.00 0.00 O ATOM 555 CB ASN A 32 15.377 -5.072 -23.790 1.00 0.00 C ATOM 556 CG ASN A 32 15.852 -6.142 -22.827 1.00 0.00 C ATOM 557 OD1 ASN A 32 15.311 -7.248 -22.793 1.00 0.00 O ATOM 558 ND2 ASN A 32 16.868 -5.817 -22.036 1.00 0.00 N ATOM 0 H ASN A 32 13.667 -4.100 -25.280 1.00 0.00 H new ATOM 0 HA ASN A 32 13.543 -4.975 -22.672 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.116 -5.534 -24.742 1.00 0.00 H new ATOM 0 HB3 ASN A 32 16.193 -4.376 -23.987 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.230 -6.496 -21.366 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.286 -4.889 -22.098 1.00 0.00 H new ATOM 565 N ASP A 33 15.381 -2.226 -22.914 1.00 0.00 N ATOM 566 CA ASP A 33 15.891 -1.090 -22.155 1.00 0.00 C ATOM 567 C ASP A 33 15.430 0.227 -22.771 1.00 0.00 C ATOM 568 O ASP A 33 16.014 1.280 -22.516 1.00 0.00 O ATOM 569 CB ASP A 33 17.419 -1.133 -22.097 1.00 0.00 C ATOM 570 CG ASP A 33 17.983 -0.232 -21.017 1.00 0.00 C ATOM 571 OD1 ASP A 33 17.315 -0.065 -19.975 1.00 0.00 O ATOM 572 OD2 ASP A 33 19.093 0.305 -21.213 1.00 0.00 O ATOM 0 H ASP A 33 15.642 -2.226 -23.900 1.00 0.00 H new ATOM 0 HA ASP A 33 15.494 -1.154 -21.142 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.744 -2.158 -21.917 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.825 -0.835 -23.064 1.00 0.00 H new ATOM 577 N GLU A 34 14.380 0.159 -23.583 1.00 0.00 N ATOM 578 CA GLU A 34 13.842 1.347 -24.236 1.00 0.00 C ATOM 579 C GLU A 34 12.317 1.314 -24.255 1.00 0.00 C ATOM 580 O GLU A 34 11.704 0.299 -23.926 1.00 0.00 O ATOM 581 CB GLU A 34 14.379 1.457 -25.665 1.00 0.00 C ATOM 582 CG GLU A 34 15.831 1.897 -25.738 1.00 0.00 C ATOM 583 CD GLU A 34 16.370 1.900 -27.155 1.00 0.00 C ATOM 584 OE1 GLU A 34 15.609 1.549 -28.081 1.00 0.00 O ATOM 585 OE2 GLU A 34 17.554 2.254 -27.339 1.00 0.00 O ATOM 0 H GLU A 34 13.885 -0.705 -23.804 1.00 0.00 H new ATOM 0 HA GLU A 34 14.162 2.220 -23.667 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.276 0.490 -26.158 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.765 2.166 -26.221 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.925 2.897 -25.316 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.439 1.233 -25.124 1.00 0.00 H new ATOM 592 N GLU A 35 11.711 2.432 -24.644 1.00 0.00 N ATOM 593 CA GLU A 35 10.258 2.532 -24.704 1.00 0.00 C ATOM 594 C GLU A 35 9.817 3.310 -25.940 1.00 0.00 C ATOM 595 O GLU A 35 10.219 4.456 -26.141 1.00 0.00 O ATOM 596 CB GLU A 35 9.718 3.208 -23.442 1.00 0.00 C ATOM 597 CG GLU A 35 9.853 2.357 -22.191 1.00 0.00 C ATOM 598 CD GLU A 35 11.210 2.502 -21.530 1.00 0.00 C ATOM 599 OE1 GLU A 35 11.875 3.534 -21.762 1.00 0.00 O ATOM 600 OE2 GLU A 35 11.608 1.585 -20.783 1.00 0.00 O ATOM 0 H GLU A 35 12.204 3.280 -24.922 1.00 0.00 H new ATOM 0 HA GLU A 35 9.852 1.522 -24.768 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.246 4.149 -23.290 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.667 3.453 -23.593 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.075 2.637 -21.480 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.688 1.311 -22.448 1.00 0.00 H new ATOM 607 N ARG A 36 8.988 2.679 -26.765 1.00 0.00 N ATOM 608 CA ARG A 36 8.493 3.310 -27.983 1.00 0.00 C ATOM 609 C ARG A 36 7.021 2.979 -28.207 1.00 0.00 C ATOM 610 O ARG A 36 6.424 2.212 -27.451 1.00 0.00 O ATOM 611 CB ARG A 36 9.319 2.858 -29.189 1.00 0.00 C ATOM 612 CG ARG A 36 9.582 1.362 -29.220 1.00 0.00 C ATOM 613 CD ARG A 36 9.544 0.819 -30.640 1.00 0.00 C ATOM 614 NE ARG A 36 10.506 1.491 -31.509 1.00 0.00 N ATOM 615 CZ ARG A 36 10.591 1.274 -32.817 1.00 0.00 C ATOM 616 NH1 ARG A 36 9.775 0.409 -33.404 1.00 0.00 N ATOM 617 NH2 ARG A 36 11.492 1.925 -33.541 1.00 0.00 N ATOM 0 H ARG A 36 8.645 1.731 -26.612 1.00 0.00 H new ATOM 0 HA ARG A 36 8.591 4.390 -27.869 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.800 3.146 -30.103 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.273 3.386 -29.184 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.555 1.153 -28.775 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.837 0.848 -28.613 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.755 -0.250 -30.625 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.541 0.941 -31.048 1.00 0.00 H new ATOM 0 HE ARG A 36 11.148 2.164 -31.089 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.080 -0.092 -32.851 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.843 0.245 -34.408 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.120 2.593 -33.094 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.557 1.758 -34.545 1.00 0.00 H new ATOM 631 N LEU A 37 6.441 3.562 -29.251 1.00 0.00 N ATOM 632 CA LEU A 37 5.038 3.330 -29.575 1.00 0.00 C ATOM 633 C LEU A 37 4.878 2.921 -31.036 1.00 0.00 C ATOM 634 O LEU A 37 5.533 3.471 -31.920 1.00 0.00 O ATOM 635 CB LEU A 37 4.214 4.587 -29.292 1.00 0.00 C ATOM 636 CG LEU A 37 2.698 4.394 -29.221 1.00 0.00 C ATOM 637 CD1 LEU A 37 2.047 5.551 -28.480 1.00 0.00 C ATOM 638 CD2 LEU A 37 2.112 4.256 -30.619 1.00 0.00 C ATOM 0 H LEU A 37 6.921 4.199 -29.887 1.00 0.00 H new ATOM 0 HA LEU A 37 4.675 2.517 -28.947 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.551 5.013 -28.347 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.431 5.322 -30.068 1.00 0.00 H new ATOM 0 HG LEU A 37 2.493 3.476 -28.671 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.969 5.396 -28.439 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.444 5.604 -27.466 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.260 6.484 -29.002 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.033 4.119 -30.549 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.327 5.156 -31.194 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.556 3.393 -31.116 1.00 0.00 H new ATOM 650 N ALA A 38 4.000 1.954 -31.282 1.00 0.00 N ATOM 651 CA ALA A 38 3.750 1.475 -32.635 1.00 0.00 C ATOM 652 C ALA A 38 2.265 1.214 -32.860 1.00 0.00 C ATOM 653 O ALA A 38 1.511 1.006 -31.910 1.00 0.00 O ATOM 654 CB ALA A 38 4.556 0.213 -32.905 1.00 0.00 C ATOM 0 H ALA A 38 3.450 1.487 -30.561 1.00 0.00 H new ATOM 0 HA ALA A 38 4.065 2.251 -33.332 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.360 -0.134 -33.919 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.619 0.429 -32.795 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.268 -0.562 -32.194 1.00 0.00 H new ATOM 660 N GLU A 39 1.851 1.229 -34.124 1.00 0.00 N ATOM 661 CA GLU A 39 0.454 0.996 -34.472 1.00 0.00 C ATOM 662 C GLU A 39 0.242 -0.441 -34.939 1.00 0.00 C ATOM 663 O GLU A 39 1.175 -1.099 -35.401 1.00 0.00 O ATOM 664 CB GLU A 39 0.008 1.970 -35.564 1.00 0.00 C ATOM 665 CG GLU A 39 -1.500 2.130 -35.659 1.00 0.00 C ATOM 666 CD GLU A 39 -1.924 2.975 -36.844 1.00 0.00 C ATOM 667 OE1 GLU A 39 -1.040 3.397 -37.618 1.00 0.00 O ATOM 668 OE2 GLU A 39 -3.140 3.213 -36.997 1.00 0.00 O ATOM 0 H GLU A 39 2.462 1.400 -34.922 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.149 1.162 -33.579 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.457 2.945 -35.375 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.389 1.625 -36.525 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.962 1.146 -35.736 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.872 2.586 -34.741 1.00 0.00 H new ATOM 675 N ILE A 40 -0.991 -0.922 -34.815 1.00 0.00 N ATOM 676 CA ILE A 40 -1.325 -2.280 -35.225 1.00 0.00 C ATOM 677 C ILE A 40 -1.992 -2.292 -36.597 1.00 0.00 C ATOM 678 O ILE A 40 -2.994 -1.611 -36.818 1.00 0.00 O ATOM 679 CB ILE A 40 -2.259 -2.961 -34.207 1.00 0.00 C ATOM 680 CG1 ILE A 40 -1.603 -2.997 -32.825 1.00 0.00 C ATOM 681 CG2 ILE A 40 -2.610 -4.367 -34.669 1.00 0.00 C ATOM 682 CD1 ILE A 40 -0.346 -3.838 -32.775 1.00 0.00 C ATOM 0 H ILE A 40 -1.774 -0.391 -34.434 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.388 -2.834 -35.274 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.180 -2.382 -34.137 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.362 -1.979 -32.519 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.320 -3.386 -32.101 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.271 -4.835 -33.939 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.113 -4.318 -35.635 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.698 -4.957 -34.764 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.065 -3.818 -31.766 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.585 -4.866 -33.049 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.388 -3.437 -33.474 1.00 0.00 H new ATOM 694 N LEU A 41 -1.430 -3.071 -37.514 1.00 0.00 N ATOM 695 CA LEU A 41 -1.971 -3.174 -38.865 1.00 0.00 C ATOM 696 C LEU A 41 -2.744 -4.476 -39.044 1.00 0.00 C ATOM 697 O LEU A 41 -3.969 -4.471 -39.166 1.00 0.00 O ATOM 698 CB LEU A 41 -0.843 -3.091 -39.895 1.00 0.00 C ATOM 699 CG LEU A 41 -0.107 -1.753 -39.979 1.00 0.00 C ATOM 700 CD1 LEU A 41 0.912 -1.774 -41.107 1.00 0.00 C ATOM 701 CD2 LEU A 41 -1.096 -0.612 -40.172 1.00 0.00 C ATOM 0 H LEU A 41 -0.600 -3.640 -37.347 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.657 -2.342 -39.020 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.115 -3.870 -39.670 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.258 -3.317 -40.877 1.00 0.00 H new ATOM 0 HG LEU A 41 0.424 -1.593 -39.041 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.426 -0.814 -41.151 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.639 -2.566 -40.926 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.403 -1.957 -42.053 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.555 0.333 -40.230 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.655 -0.767 -41.095 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.787 -0.583 -39.330 1.00 0.00 H new ATOM 713 N SER A 42 -2.020 -5.591 -39.058 1.00 0.00 N ATOM 714 CA SER A 42 -2.637 -6.902 -39.223 1.00 0.00 C ATOM 715 C SER A 42 -2.458 -7.749 -37.967 1.00 0.00 C ATOM 716 O SER A 42 -1.617 -7.450 -37.119 1.00 0.00 O ATOM 717 CB SER A 42 -2.035 -7.624 -40.430 1.00 0.00 C ATOM 718 OG SER A 42 -2.797 -8.769 -40.771 1.00 0.00 O ATOM 0 H SER A 42 -1.005 -5.612 -38.957 1.00 0.00 H new ATOM 0 HA SER A 42 -3.704 -6.756 -39.392 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.994 -6.944 -41.281 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.010 -7.919 -40.207 1.00 0.00 H new ATOM 0 HG SER A 42 -2.393 -9.212 -41.546 1.00 0.00 H new ATOM 724 N ILE A 43 -3.253 -8.808 -37.857 1.00 0.00 N ATOM 725 CA ILE A 43 -3.182 -9.700 -36.707 1.00 0.00 C ATOM 726 C ILE A 43 -3.336 -11.157 -37.130 1.00 0.00 C ATOM 727 O ILE A 43 -4.205 -11.492 -37.933 1.00 0.00 O ATOM 728 CB ILE A 43 -4.264 -9.363 -35.665 1.00 0.00 C ATOM 729 CG1 ILE A 43 -4.271 -7.861 -35.372 1.00 0.00 C ATOM 730 CG2 ILE A 43 -4.035 -10.155 -34.387 1.00 0.00 C ATOM 731 CD1 ILE A 43 -5.318 -7.447 -34.361 1.00 0.00 C ATOM 0 H ILE A 43 -3.954 -9.069 -38.551 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.199 -9.557 -36.258 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.237 -9.640 -36.072 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.288 -7.566 -35.006 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.441 -7.318 -36.302 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.808 -9.905 -33.661 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.075 -11.222 -34.608 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.057 -9.907 -33.975 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.265 -6.370 -34.203 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.308 -7.711 -34.734 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.136 -7.962 -33.418 1.00 0.00 H new ATOM 743 N ASN A 44 -2.486 -12.020 -36.582 1.00 0.00 N ATOM 744 CA ASN A 44 -2.528 -13.442 -36.902 1.00 0.00 C ATOM 745 C ASN A 44 -3.252 -14.224 -35.809 1.00 0.00 C ATOM 746 O ASN A 44 -3.054 -13.977 -34.619 1.00 0.00 O ATOM 747 CB ASN A 44 -1.111 -13.988 -37.082 1.00 0.00 C ATOM 748 CG ASN A 44 -0.808 -14.347 -38.524 1.00 0.00 C ATOM 749 OD1 ASN A 44 -1.576 -15.058 -39.172 1.00 0.00 O ATOM 750 ND2 ASN A 44 0.316 -13.855 -39.033 1.00 0.00 N ATOM 0 H ASN A 44 -1.760 -11.759 -35.915 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.077 -13.563 -37.836 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.392 -13.245 -36.737 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.983 -14.871 -36.456 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.572 -14.062 -39.998 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.923 -13.270 -38.459 1.00 0.00 H new ATOM 757 N THR A 45 -4.091 -15.169 -36.222 1.00 0.00 N ATOM 758 CA THR A 45 -4.844 -15.987 -35.280 1.00 0.00 C ATOM 759 C THR A 45 -4.765 -17.464 -35.648 1.00 0.00 C ATOM 760 O THR A 45 -5.637 -18.252 -35.282 1.00 0.00 O ATOM 761 CB THR A 45 -6.323 -15.561 -35.224 1.00 0.00 C ATOM 762 OG1 THR A 45 -6.837 -15.402 -36.551 1.00 0.00 O ATOM 763 CG2 THR A 45 -6.483 -14.260 -34.453 1.00 0.00 C ATOM 0 H THR A 45 -4.266 -15.387 -37.203 1.00 0.00 H new ATOM 0 HA THR A 45 -4.393 -15.836 -34.299 1.00 0.00 H new ATOM 0 HB THR A 45 -6.884 -16.341 -34.709 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.778 -15.133 -36.507 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.536 -13.980 -34.427 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.118 -14.393 -33.435 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.910 -13.473 -34.944 1.00 0.00 H new ATOM 771 N ARG A 46 -3.715 -17.832 -36.375 1.00 0.00 N ATOM 772 CA ARG A 46 -3.523 -19.216 -36.793 1.00 0.00 C ATOM 773 C ARG A 46 -2.855 -20.030 -35.689 1.00 0.00 C ATOM 774 O ARG A 46 -3.397 -21.035 -35.230 1.00 0.00 O ATOM 775 CB ARG A 46 -2.677 -19.273 -38.067 1.00 0.00 C ATOM 776 CG ARG A 46 -2.965 -20.486 -38.935 1.00 0.00 C ATOM 777 CD ARG A 46 -1.985 -21.615 -38.658 1.00 0.00 C ATOM 778 NE ARG A 46 -1.787 -22.468 -39.827 1.00 0.00 N ATOM 779 CZ ARG A 46 -0.915 -23.469 -39.867 1.00 0.00 C ATOM 780 NH1 ARG A 46 -0.165 -23.742 -38.808 1.00 0.00 N ATOM 781 NH2 ARG A 46 -0.792 -24.200 -40.967 1.00 0.00 N ATOM 0 H ARG A 46 -2.985 -17.192 -36.687 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.503 -19.648 -36.996 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.853 -18.369 -38.650 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.622 -19.275 -37.793 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.982 -20.833 -38.752 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.909 -20.204 -39.986 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.027 -21.196 -38.349 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.352 -22.218 -37.827 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.349 -22.285 -40.658 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.257 -23.183 -37.960 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.504 -24.511 -38.841 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.367 -23.994 -41.783 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.122 -24.968 -40.996 1.00 0.00 H new ATOM 795 N LYS A 47 -1.674 -19.589 -35.268 1.00 0.00 N ATOM 796 CA LYS A 47 -0.931 -20.275 -34.218 1.00 0.00 C ATOM 797 C LYS A 47 -0.746 -19.372 -33.003 1.00 0.00 C ATOM 798 O LYS A 47 -0.747 -18.147 -33.123 1.00 0.00 O ATOM 799 CB LYS A 47 0.433 -20.728 -34.743 1.00 0.00 C ATOM 800 CG LYS A 47 0.345 -21.742 -35.870 1.00 0.00 C ATOM 801 CD LYS A 47 0.252 -23.162 -35.338 1.00 0.00 C ATOM 802 CE LYS A 47 1.579 -23.627 -34.757 1.00 0.00 C ATOM 803 NZ LYS A 47 1.388 -24.604 -33.649 1.00 0.00 N ATOM 0 H LYS A 47 -1.211 -18.759 -35.638 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.505 -21.150 -33.914 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.986 -19.856 -35.092 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.004 -21.160 -33.921 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.527 -21.526 -36.487 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.221 -21.650 -36.512 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.521 -23.215 -34.571 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.050 -23.834 -36.141 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.180 -24.083 -35.544 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.136 -22.765 -34.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.315 -24.896 -33.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.836 -24.161 -32.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.879 -25.438 -34.005 1.00 0.00 H new ATOM 817 N ALA A 48 -0.585 -19.984 -31.835 1.00 0.00 N ATOM 818 CA ALA A 48 -0.395 -19.235 -30.599 1.00 0.00 C ATOM 819 C ALA A 48 1.040 -19.357 -30.099 1.00 0.00 C ATOM 820 O ALA A 48 1.754 -20.310 -30.412 1.00 0.00 O ATOM 821 CB ALA A 48 -1.370 -19.716 -29.535 1.00 0.00 C ATOM 0 H ALA A 48 -0.582 -20.997 -31.718 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.592 -18.183 -30.806 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.217 -19.148 -28.617 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.392 -19.571 -29.885 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.201 -20.775 -29.339 1.00 0.00 H new ATOM 827 N PRO A 49 1.476 -18.369 -29.302 1.00 0.00 N ATOM 828 CA PRO A 49 0.636 -17.229 -28.923 1.00 0.00 C ATOM 829 C PRO A 49 0.362 -16.295 -30.096 1.00 0.00 C ATOM 830 O PRO A 49 1.070 -16.300 -31.104 1.00 0.00 O ATOM 831 CB PRO A 49 1.468 -16.516 -27.854 1.00 0.00 C ATOM 832 CG PRO A 49 2.877 -16.893 -28.157 1.00 0.00 C ATOM 833 CD PRO A 49 2.823 -18.289 -28.712 1.00 0.00 C ATOM 0 HA PRO A 49 -0.348 -17.545 -28.577 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.329 -15.436 -27.899 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.180 -16.833 -26.852 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.319 -16.204 -28.877 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.493 -16.854 -27.259 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.599 -18.455 -29.459 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.965 -19.037 -27.932 1.00 0.00 H new ATOM 841 N PRO A 50 -0.688 -15.471 -29.965 1.00 0.00 N ATOM 842 CA PRO A 50 -1.079 -14.515 -31.005 1.00 0.00 C ATOM 843 C PRO A 50 -0.078 -13.373 -31.148 1.00 0.00 C ATOM 844 O PRO A 50 0.575 -12.981 -30.180 1.00 0.00 O ATOM 845 CB PRO A 50 -2.427 -13.984 -30.511 1.00 0.00 C ATOM 846 CG PRO A 50 -2.388 -14.168 -29.033 1.00 0.00 C ATOM 847 CD PRO A 50 -1.576 -15.411 -28.792 1.00 0.00 C ATOM 0 HA PRO A 50 -1.123 -14.980 -31.990 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.560 -12.935 -30.776 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.256 -14.533 -30.957 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.935 -13.305 -28.544 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.394 -14.274 -28.626 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.010 -15.347 -27.863 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.208 -16.296 -28.721 1.00 0.00 H new ATOM 855 N LYS A 51 0.039 -12.844 -32.361 1.00 0.00 N ATOM 856 CA LYS A 51 0.960 -11.746 -32.631 1.00 0.00 C ATOM 857 C LYS A 51 0.236 -10.581 -33.299 1.00 0.00 C ATOM 858 O LYS A 51 -0.950 -10.674 -33.616 1.00 0.00 O ATOM 859 CB LYS A 51 2.109 -12.224 -33.522 1.00 0.00 C ATOM 860 CG LYS A 51 1.657 -13.084 -34.689 1.00 0.00 C ATOM 861 CD LYS A 51 1.834 -14.564 -34.393 1.00 0.00 C ATOM 862 CE LYS A 51 2.125 -15.355 -35.658 1.00 0.00 C ATOM 863 NZ LYS A 51 1.053 -16.346 -35.952 1.00 0.00 N ATOM 0 H LYS A 51 -0.493 -13.158 -33.173 1.00 0.00 H new ATOM 0 HA LYS A 51 1.365 -11.402 -31.679 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.644 -11.356 -33.907 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.816 -12.791 -32.916 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.609 -12.879 -34.909 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.227 -12.819 -35.579 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.650 -14.699 -33.683 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.932 -14.952 -33.920 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.227 -14.670 -36.499 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.078 -15.872 -35.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.427 -17.309 -35.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.256 -16.198 -35.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.727 -16.224 -36.932 1.00 0.00 H new ATOM 877 N PHE A 52 0.958 -9.486 -33.512 1.00 0.00 N ATOM 878 CA PHE A 52 0.384 -8.303 -34.143 1.00 0.00 C ATOM 879 C PHE A 52 1.428 -7.576 -34.986 1.00 0.00 C ATOM 880 O PHE A 52 2.606 -7.531 -34.632 1.00 0.00 O ATOM 881 CB PHE A 52 -0.181 -7.356 -33.082 1.00 0.00 C ATOM 882 CG PHE A 52 -1.017 -8.049 -32.045 1.00 0.00 C ATOM 883 CD1 PHE A 52 -0.426 -8.632 -30.936 1.00 0.00 C ATOM 884 CD2 PHE A 52 -2.395 -8.116 -32.178 1.00 0.00 C ATOM 885 CE1 PHE A 52 -1.194 -9.271 -29.980 1.00 0.00 C ATOM 886 CE2 PHE A 52 -3.167 -8.753 -31.226 1.00 0.00 C ATOM 887 CZ PHE A 52 -2.566 -9.330 -30.125 1.00 0.00 C ATOM 0 H PHE A 52 1.941 -9.393 -33.257 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.425 -8.627 -34.798 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.644 -6.842 -32.588 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.784 -6.592 -33.572 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.646 -8.587 -30.817 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.871 -7.665 -33.036 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.721 -9.723 -29.121 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.240 -8.800 -31.343 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.168 -9.827 -29.378 1.00 0.00 H new ATOM 897 N TYR A 53 0.986 -7.008 -36.103 1.00 0.00 N ATOM 898 CA TYR A 53 1.882 -6.285 -36.998 1.00 0.00 C ATOM 899 C TYR A 53 2.085 -4.850 -36.524 1.00 0.00 C ATOM 900 O TYR A 53 1.138 -4.066 -36.455 1.00 0.00 O ATOM 901 CB TYR A 53 1.324 -6.289 -38.423 1.00 0.00 C ATOM 902 CG TYR A 53 2.364 -6.589 -39.479 1.00 0.00 C ATOM 903 CD1 TYR A 53 3.426 -5.723 -39.702 1.00 0.00 C ATOM 904 CD2 TYR A 53 2.283 -7.740 -40.253 1.00 0.00 C ATOM 905 CE1 TYR A 53 4.378 -5.993 -40.667 1.00 0.00 C ATOM 906 CE2 TYR A 53 3.231 -8.019 -41.219 1.00 0.00 C ATOM 907 CZ TYR A 53 4.276 -7.142 -41.422 1.00 0.00 C ATOM 908 OH TYR A 53 5.222 -7.416 -42.383 1.00 0.00 O ATOM 0 H TYR A 53 0.014 -7.034 -36.410 1.00 0.00 H new ATOM 0 HA TYR A 53 2.848 -6.790 -36.991 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.526 -7.029 -38.490 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.876 -5.317 -38.632 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.510 -4.823 -39.111 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.465 -8.428 -40.097 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.197 -5.308 -40.829 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.154 -8.919 -41.812 1.00 0.00 H new ATOM 0 HH TYR A 53 5.004 -8.264 -42.824 1.00 0.00 H new ATOM 918 N VAL A 54 3.329 -4.512 -36.197 1.00 0.00 N ATOM 919 CA VAL A 54 3.659 -3.171 -35.731 1.00 0.00 C ATOM 920 C VAL A 54 4.104 -2.281 -36.886 1.00 0.00 C ATOM 921 O VAL A 54 4.882 -2.702 -37.744 1.00 0.00 O ATOM 922 CB VAL A 54 4.771 -3.205 -34.666 1.00 0.00 C ATOM 923 CG1 VAL A 54 4.259 -3.833 -33.379 1.00 0.00 C ATOM 924 CG2 VAL A 54 5.986 -3.957 -35.189 1.00 0.00 C ATOM 0 H VAL A 54 4.124 -5.149 -36.246 1.00 0.00 H new ATOM 0 HA VAL A 54 2.753 -2.759 -35.287 1.00 0.00 H new ATOM 0 HB VAL A 54 5.072 -2.181 -34.447 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.059 -3.848 -32.638 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.422 -3.249 -32.997 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.929 -4.853 -33.578 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.762 -3.971 -34.424 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.702 -4.980 -35.437 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.366 -3.459 -36.081 1.00 0.00 H new ATOM 934 N HIS A 55 3.607 -1.049 -36.902 1.00 0.00 N ATOM 935 CA HIS A 55 3.954 -0.098 -37.953 1.00 0.00 C ATOM 936 C HIS A 55 4.146 1.302 -37.377 1.00 0.00 C ATOM 937 O HIS A 55 3.521 1.664 -36.380 1.00 0.00 O ATOM 938 CB HIS A 55 2.868 -0.075 -39.029 1.00 0.00 C ATOM 939 CG HIS A 55 3.102 0.952 -40.094 1.00 0.00 C ATOM 940 ND1 HIS A 55 4.276 1.036 -40.813 1.00 0.00 N ATOM 941 CD2 HIS A 55 2.304 1.939 -40.562 1.00 0.00 C ATOM 942 CE1 HIS A 55 4.190 2.033 -41.676 1.00 0.00 C ATOM 943 NE2 HIS A 55 3.003 2.597 -41.544 1.00 0.00 N ATOM 0 H HIS A 55 2.963 -0.685 -36.200 1.00 0.00 H new ATOM 0 HA HIS A 55 4.893 -0.419 -38.403 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.806 -1.060 -39.492 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.904 0.116 -38.557 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.303 2.167 -40.226 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.959 2.335 -42.371 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.661 3.392 -42.084 1.00 0.00 H new ATOM 951 N TYR A 56 5.014 2.083 -38.010 1.00 0.00 N ATOM 952 CA TYR A 56 5.290 3.442 -37.558 1.00 0.00 C ATOM 953 C TYR A 56 4.519 4.460 -38.392 1.00 0.00 C ATOM 954 O TYR A 56 4.601 4.464 -39.621 1.00 0.00 O ATOM 955 CB TYR A 56 6.790 3.732 -37.636 1.00 0.00 C ATOM 956 CG TYR A 56 7.277 4.687 -36.569 1.00 0.00 C ATOM 957 CD1 TYR A 56 6.782 5.982 -36.490 1.00 0.00 C ATOM 958 CD2 TYR A 56 8.233 4.292 -35.641 1.00 0.00 C ATOM 959 CE1 TYR A 56 7.226 6.858 -35.517 1.00 0.00 C ATOM 960 CE2 TYR A 56 8.681 5.160 -34.664 1.00 0.00 C ATOM 961 CZ TYR A 56 8.175 6.442 -34.607 1.00 0.00 C ATOM 962 OH TYR A 56 8.618 7.311 -33.636 1.00 0.00 O ATOM 0 H TYR A 56 5.539 1.799 -38.837 1.00 0.00 H new ATOM 0 HA TYR A 56 4.964 3.527 -36.522 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.338 2.794 -37.550 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.021 4.147 -38.617 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.038 6.310 -37.200 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.633 3.290 -35.684 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.832 7.862 -35.470 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.423 4.837 -33.949 1.00 0.00 H new ATOM 0 HH TYR A 56 9.285 6.862 -33.075 1.00 0.00 H new ATOM 972 N VAL A 57 3.770 5.325 -37.715 1.00 0.00 N ATOM 973 CA VAL A 57 2.985 6.350 -38.392 1.00 0.00 C ATOM 974 C VAL A 57 3.846 7.147 -39.367 1.00 0.00 C ATOM 975 O VAL A 57 4.672 7.961 -38.958 1.00 0.00 O ATOM 976 CB VAL A 57 2.340 7.320 -37.384 1.00 0.00 C ATOM 977 CG1 VAL A 57 1.165 6.656 -36.682 1.00 0.00 C ATOM 978 CG2 VAL A 57 3.371 7.802 -36.375 1.00 0.00 C ATOM 0 H VAL A 57 3.691 5.336 -36.698 1.00 0.00 H new ATOM 0 HA VAL A 57 2.199 5.834 -38.943 1.00 0.00 H new ATOM 0 HB VAL A 57 1.965 8.187 -37.928 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.722 7.356 -35.974 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.418 6.364 -37.420 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.513 5.771 -36.149 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.898 8.486 -35.670 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.778 6.948 -35.834 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.177 8.318 -36.897 1.00 0.00 H new ATOM 988 N ASN A 58 3.644 6.906 -40.658 1.00 0.00 N ATOM 989 CA ASN A 58 4.402 7.601 -41.693 1.00 0.00 C ATOM 990 C ASN A 58 5.902 7.413 -41.487 1.00 0.00 C ATOM 991 O ASN A 58 6.677 8.364 -41.593 1.00 0.00 O ATOM 992 CB ASN A 58 4.058 9.091 -41.691 1.00 0.00 C ATOM 993 CG ASN A 58 4.424 9.771 -42.997 1.00 0.00 C ATOM 994 OD1 ASN A 58 4.643 9.110 -44.013 1.00 0.00 O ATOM 995 ND2 ASN A 58 4.492 11.097 -42.975 1.00 0.00 N ATOM 0 H ASN A 58 2.962 6.235 -41.013 1.00 0.00 H new ATOM 0 HA ASN A 58 4.130 7.173 -42.658 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.991 9.214 -41.507 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.582 9.581 -40.870 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.734 11.609 -43.823 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.302 11.603 -42.110 1.00 0.00 H new ATOM 1002 N TYR A 59 6.304 6.182 -41.192 1.00 0.00 N ATOM 1003 CA TYR A 59 7.710 5.870 -40.970 1.00 0.00 C ATOM 1004 C TYR A 59 7.940 4.362 -40.966 1.00 0.00 C ATOM 1005 O TYR A 59 7.004 3.580 -41.128 1.00 0.00 O ATOM 1006 CB TYR A 59 8.185 6.472 -39.646 1.00 0.00 C ATOM 1007 CG TYR A 59 8.887 7.802 -39.803 1.00 0.00 C ATOM 1008 CD1 TYR A 59 10.101 7.893 -40.474 1.00 0.00 C ATOM 1009 CD2 TYR A 59 8.339 8.966 -39.280 1.00 0.00 C ATOM 1010 CE1 TYR A 59 10.747 9.106 -40.619 1.00 0.00 C ATOM 1011 CE2 TYR A 59 8.977 10.183 -39.421 1.00 0.00 C ATOM 1012 CZ TYR A 59 10.181 10.247 -40.092 1.00 0.00 C ATOM 1013 OH TYR A 59 10.820 11.458 -40.234 1.00 0.00 O ATOM 0 H TYR A 59 5.675 5.384 -41.101 1.00 0.00 H new ATOM 0 HA TYR A 59 8.285 6.305 -41.787 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.327 6.599 -38.986 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.861 5.769 -39.159 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.547 7.001 -40.889 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.397 8.919 -38.754 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.690 9.160 -41.142 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.536 11.079 -39.009 1.00 0.00 H new ATOM 0 HH TYR A 59 10.287 12.161 -39.807 1.00 0.00 H new ATOM 1023 N ASN A 60 9.193 3.961 -40.780 1.00 0.00 N ATOM 1024 CA ASN A 60 9.548 2.546 -40.755 1.00 0.00 C ATOM 1025 C ASN A 60 9.154 1.864 -42.061 1.00 0.00 C ATOM 1026 O ASN A 60 8.422 0.874 -42.062 1.00 0.00 O ATOM 1027 CB ASN A 60 8.865 1.849 -39.576 1.00 0.00 C ATOM 1028 CG ASN A 60 9.604 2.066 -38.270 1.00 0.00 C ATOM 1029 OD1 ASN A 60 9.829 1.126 -37.507 1.00 0.00 O ATOM 1030 ND2 ASN A 60 9.984 3.311 -38.005 1.00 0.00 N ATOM 0 H ASN A 60 9.980 4.596 -40.644 1.00 0.00 H new ATOM 0 HA ASN A 60 10.629 2.469 -40.637 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.845 2.220 -39.479 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.797 0.780 -39.779 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.484 3.519 -37.140 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.776 4.059 -38.666 1.00 0.00 H new ATOM 1037 N LYS A 61 9.645 2.399 -43.174 1.00 0.00 N ATOM 1038 CA LYS A 61 9.347 1.843 -44.488 1.00 0.00 C ATOM 1039 C LYS A 61 9.713 0.363 -44.548 1.00 0.00 C ATOM 1040 O LYS A 61 8.940 -0.458 -45.040 1.00 0.00 O ATOM 1041 CB LYS A 61 10.105 2.610 -45.574 1.00 0.00 C ATOM 1042 CG LYS A 61 11.599 2.708 -45.320 1.00 0.00 C ATOM 1043 CD LYS A 61 12.246 3.768 -46.195 1.00 0.00 C ATOM 1044 CE LYS A 61 12.197 3.382 -47.666 1.00 0.00 C ATOM 1045 NZ LYS A 61 12.778 4.441 -48.536 1.00 0.00 N ATOM 0 H LYS A 61 10.252 3.218 -43.192 1.00 0.00 H new ATOM 0 HA LYS A 61 8.276 1.943 -44.662 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.940 2.122 -46.534 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.692 3.616 -45.652 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.776 2.944 -44.271 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.066 1.742 -45.512 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.737 4.721 -46.051 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.283 3.911 -45.889 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.742 2.450 -47.815 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.163 3.198 -47.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.726 4.141 -49.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.243 5.324 -48.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.772 4.599 -48.274 1.00 0.00 H new ATOM 1059 N ARG A 62 10.896 0.030 -44.042 1.00 0.00 N ATOM 1060 CA ARG A 62 11.364 -1.351 -44.038 1.00 0.00 C ATOM 1061 C ARG A 62 11.293 -1.945 -42.634 1.00 0.00 C ATOM 1062 O ARG A 62 11.145 -3.156 -42.467 1.00 0.00 O ATOM 1063 CB ARG A 62 12.799 -1.427 -44.563 1.00 0.00 C ATOM 1064 CG ARG A 62 13.805 -0.689 -43.697 1.00 0.00 C ATOM 1065 CD ARG A 62 15.154 -0.568 -44.389 1.00 0.00 C ATOM 1066 NE ARG A 62 15.229 0.618 -45.237 1.00 0.00 N ATOM 1067 CZ ARG A 62 16.305 0.951 -45.942 1.00 0.00 C ATOM 1068 NH1 ARG A 62 17.390 0.191 -45.900 1.00 0.00 N ATOM 1069 NH2 ARG A 62 16.296 2.046 -46.691 1.00 0.00 N ATOM 0 H ARG A 62 11.548 0.697 -43.630 1.00 0.00 H new ATOM 0 HA ARG A 62 10.713 -1.931 -44.693 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.095 -2.474 -44.637 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.830 -1.015 -45.572 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.425 0.305 -43.463 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.927 -1.215 -42.750 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.944 -0.528 -43.639 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.333 -1.458 -44.993 1.00 0.00 H new ATOM 0 HE ARG A 62 14.411 1.224 -45.291 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.400 -0.652 -45.326 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.215 0.449 -46.442 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.463 2.633 -46.726 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.122 2.301 -47.232 1.00 0.00 H new ATOM 1083 N LEU A 63 11.400 -1.085 -41.627 1.00 0.00 N ATOM 1084 CA LEU A 63 11.348 -1.524 -40.237 1.00 0.00 C ATOM 1085 C LEU A 63 9.984 -2.121 -39.905 1.00 0.00 C ATOM 1086 O LEU A 63 9.861 -2.947 -39.000 1.00 0.00 O ATOM 1087 CB LEU A 63 11.646 -0.352 -39.300 1.00 0.00 C ATOM 1088 CG LEU A 63 13.114 0.063 -39.190 1.00 0.00 C ATOM 1089 CD1 LEU A 63 13.252 1.315 -38.337 1.00 0.00 C ATOM 1090 CD2 LEU A 63 13.947 -1.072 -38.613 1.00 0.00 C ATOM 0 H LEU A 63 11.523 -0.080 -41.747 1.00 0.00 H new ATOM 0 HA LEU A 63 12.105 -2.295 -40.097 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.070 0.510 -39.635 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.286 -0.609 -38.304 1.00 0.00 H new ATOM 0 HG LEU A 63 13.485 0.287 -40.190 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.303 1.595 -38.270 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.688 2.129 -38.792 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.864 1.119 -37.337 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.989 -0.759 -38.542 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.576 -1.327 -37.620 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.874 -1.944 -39.263 1.00 0.00 H new ATOM 1102 N ASP A 64 8.964 -1.699 -40.644 1.00 0.00 N ATOM 1103 CA ASP A 64 7.609 -2.195 -40.430 1.00 0.00 C ATOM 1104 C ASP A 64 7.583 -3.721 -40.429 1.00 0.00 C ATOM 1105 O ASP A 64 7.719 -4.353 -41.476 1.00 0.00 O ATOM 1106 CB ASP A 64 6.670 -1.657 -41.510 1.00 0.00 C ATOM 1107 CG ASP A 64 5.295 -2.294 -41.453 1.00 0.00 C ATOM 1108 OD1 ASP A 64 4.784 -2.499 -40.332 1.00 0.00 O ATOM 1109 OD2 ASP A 64 4.732 -2.588 -42.528 1.00 0.00 O ATOM 0 H ASP A 64 9.049 -1.015 -41.396 1.00 0.00 H new ATOM 0 HA ASP A 64 7.269 -1.843 -39.456 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.572 -0.577 -41.397 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.110 -1.836 -42.491 1.00 0.00 H new ATOM 1114 N GLU A 65 7.407 -4.304 -39.248 1.00 0.00 N ATOM 1115 CA GLU A 65 7.365 -5.755 -39.112 1.00 0.00 C ATOM 1116 C GLU A 65 6.294 -6.177 -38.111 1.00 0.00 C ATOM 1117 O GLU A 65 5.483 -5.361 -37.673 1.00 0.00 O ATOM 1118 CB GLU A 65 8.730 -6.288 -38.670 1.00 0.00 C ATOM 1119 CG GLU A 65 9.081 -5.945 -37.232 1.00 0.00 C ATOM 1120 CD GLU A 65 10.534 -6.228 -36.903 1.00 0.00 C ATOM 1121 OE1 GLU A 65 11.392 -6.024 -37.788 1.00 0.00 O ATOM 1122 OE2 GLU A 65 10.813 -6.652 -35.763 1.00 0.00 O ATOM 0 H GLU A 65 7.291 -3.794 -38.372 1.00 0.00 H new ATOM 0 HA GLU A 65 7.115 -6.178 -40.085 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.744 -7.371 -38.790 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.499 -5.885 -39.329 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.870 -4.891 -37.052 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.442 -6.517 -36.559 1.00 0.00 H new ATOM 1129 N TRP A 66 6.297 -7.456 -37.753 1.00 0.00 N ATOM 1130 CA TRP A 66 5.326 -7.987 -36.804 1.00 0.00 C ATOM 1131 C TRP A 66 6.025 -8.621 -35.606 1.00 0.00 C ATOM 1132 O TRP A 66 7.107 -9.192 -35.739 1.00 0.00 O ATOM 1133 CB TRP A 66 4.425 -9.017 -37.487 1.00 0.00 C ATOM 1134 CG TRP A 66 5.178 -10.180 -38.059 1.00 0.00 C ATOM 1135 CD1 TRP A 66 5.987 -10.171 -39.159 1.00 0.00 C ATOM 1136 CD2 TRP A 66 5.191 -11.521 -37.559 1.00 0.00 C ATOM 1137 NE1 TRP A 66 6.502 -11.427 -39.374 1.00 0.00 N ATOM 1138 CE2 TRP A 66 6.030 -12.273 -38.406 1.00 0.00 C ATOM 1139 CE3 TRP A 66 4.578 -12.161 -36.479 1.00 0.00 C ATOM 1140 CZ2 TRP A 66 6.267 -13.630 -38.204 1.00 0.00 C ATOM 1141 CZ3 TRP A 66 4.814 -13.507 -36.280 1.00 0.00 C ATOM 1142 CH2 TRP A 66 5.654 -14.230 -37.138 1.00 0.00 C ATOM 0 H TRP A 66 6.961 -8.145 -38.106 1.00 0.00 H new ATOM 0 HA TRP A 66 4.714 -7.158 -36.447 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.695 -9.385 -36.766 1.00 0.00 H new ATOM 0 HB3 TRP A 66 3.866 -8.528 -38.285 1.00 0.00 H new ATOM 0 HD1 TRP A 66 6.192 -9.304 -39.770 1.00 0.00 H new ATOM 0 HE1 TRP A 66 7.133 -11.687 -40.132 1.00 0.00 H new ATOM 0 HE3 TRP A 66 3.931 -11.612 -35.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 6.912 -14.189 -38.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 4.343 -14.011 -35.449 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.821 -15.281 -36.954 1.00 0.00 H new ATOM 1153 N ILE A 67 5.401 -8.515 -34.438 1.00 0.00 N ATOM 1154 CA ILE A 67 5.964 -9.080 -33.218 1.00 0.00 C ATOM 1155 C ILE A 67 4.902 -9.825 -32.416 1.00 0.00 C ATOM 1156 O ILE A 67 3.709 -9.732 -32.707 1.00 0.00 O ATOM 1157 CB ILE A 67 6.590 -7.988 -32.330 1.00 0.00 C ATOM 1158 CG1 ILE A 67 5.618 -6.818 -32.161 1.00 0.00 C ATOM 1159 CG2 ILE A 67 7.905 -7.510 -32.926 1.00 0.00 C ATOM 1160 CD1 ILE A 67 6.127 -5.740 -31.230 1.00 0.00 C ATOM 0 H ILE A 67 4.506 -8.043 -34.311 1.00 0.00 H new ATOM 0 HA ILE A 67 6.742 -9.780 -33.523 1.00 0.00 H new ATOM 0 HB ILE A 67 6.793 -8.412 -31.347 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.418 -6.378 -33.138 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.669 -7.196 -31.781 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.335 -6.739 -32.287 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.598 -8.349 -32.999 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.726 -7.100 -33.920 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.387 -4.943 -31.158 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.300 -6.165 -30.241 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.061 -5.334 -31.619 1.00 0.00 H new ATOM 1172 N THR A 68 5.344 -10.565 -31.404 1.00 0.00 N ATOM 1173 CA THR A 68 4.432 -11.326 -30.559 1.00 0.00 C ATOM 1174 C THR A 68 4.155 -10.594 -29.250 1.00 0.00 C ATOM 1175 O THR A 68 4.562 -9.446 -29.070 1.00 0.00 O ATOM 1176 CB THR A 68 4.995 -12.724 -30.243 1.00 0.00 C ATOM 1177 OG1 THR A 68 6.125 -12.612 -29.370 1.00 0.00 O ATOM 1178 CG2 THR A 68 5.403 -13.445 -31.519 1.00 0.00 C ATOM 0 H THR A 68 6.328 -10.653 -31.150 1.00 0.00 H new ATOM 0 HA THR A 68 3.501 -11.434 -31.115 1.00 0.00 H new ATOM 0 HB THR A 68 4.213 -13.303 -29.752 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.476 -13.506 -29.173 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.798 -14.430 -31.270 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.534 -13.555 -32.168 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.170 -12.867 -32.034 1.00 0.00 H new ATOM 1186 N THR A 69 3.460 -11.266 -28.338 1.00 0.00 N ATOM 1187 CA THR A 69 3.128 -10.680 -27.046 1.00 0.00 C ATOM 1188 C THR A 69 4.379 -10.467 -26.201 1.00 0.00 C ATOM 1189 O THR A 69 4.404 -9.610 -25.317 1.00 0.00 O ATOM 1190 CB THR A 69 2.139 -11.565 -26.264 1.00 0.00 C ATOM 1191 OG1 THR A 69 1.642 -10.857 -25.123 1.00 0.00 O ATOM 1192 CG2 THR A 69 2.807 -12.856 -25.815 1.00 0.00 C ATOM 0 H THR A 69 3.116 -12.217 -28.471 1.00 0.00 H new ATOM 0 HA THR A 69 2.660 -9.716 -27.248 1.00 0.00 H new ATOM 0 HB THR A 69 1.309 -11.814 -26.925 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.950 -9.927 -25.155 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.089 -13.465 -25.265 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.157 -13.407 -26.688 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.654 -12.622 -25.170 1.00 0.00 H new ATOM 1200 N ASP A 70 5.414 -11.252 -26.478 1.00 0.00 N ATOM 1201 CA ASP A 70 6.670 -11.148 -25.743 1.00 0.00 C ATOM 1202 C ASP A 70 7.172 -9.707 -25.727 1.00 0.00 C ATOM 1203 O ASP A 70 7.817 -9.275 -24.771 1.00 0.00 O ATOM 1204 CB ASP A 70 7.726 -12.062 -26.366 1.00 0.00 C ATOM 1205 CG ASP A 70 8.910 -12.288 -25.446 1.00 0.00 C ATOM 1206 OD1 ASP A 70 8.785 -12.004 -24.236 1.00 0.00 O ATOM 1207 OD2 ASP A 70 9.962 -12.750 -25.937 1.00 0.00 O ATOM 0 H ASP A 70 5.409 -11.967 -27.205 1.00 0.00 H new ATOM 0 HA ASP A 70 6.489 -11.462 -24.715 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.272 -13.022 -26.612 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.075 -11.625 -27.302 1.00 0.00 H new ATOM 1212 N ARG A 71 6.873 -8.969 -26.791 1.00 0.00 N ATOM 1213 CA ARG A 71 7.296 -7.578 -26.899 1.00 0.00 C ATOM 1214 C ARG A 71 6.116 -6.634 -26.689 1.00 0.00 C ATOM 1215 O ARG A 71 6.298 -5.466 -26.342 1.00 0.00 O ATOM 1216 CB ARG A 71 7.931 -7.322 -28.267 1.00 0.00 C ATOM 1217 CG ARG A 71 9.141 -8.197 -28.550 1.00 0.00 C ATOM 1218 CD ARG A 71 10.370 -7.710 -27.799 1.00 0.00 C ATOM 1219 NE ARG A 71 10.390 -8.181 -26.417 1.00 0.00 N ATOM 1220 CZ ARG A 71 11.352 -7.880 -25.552 1.00 0.00 C ATOM 1221 NH1 ARG A 71 12.367 -7.113 -25.924 1.00 0.00 N ATOM 1222 NH2 ARG A 71 11.299 -8.348 -24.311 1.00 0.00 N ATOM 0 H ARG A 71 6.340 -9.311 -27.590 1.00 0.00 H new ATOM 0 HA ARG A 71 8.035 -7.387 -26.121 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.183 -7.489 -29.042 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.228 -6.275 -28.330 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.922 -9.226 -28.263 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.346 -8.201 -29.621 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.268 -8.054 -28.312 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.394 -6.620 -27.811 1.00 0.00 H new ATOM 0 HE ARG A 71 9.623 -8.774 -26.098 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.411 -6.752 -26.877 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.104 -6.884 -25.257 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.520 -8.939 -24.022 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.038 -8.117 -23.647 1.00 0.00 H new ATOM 1236 N ILE A 72 4.909 -7.146 -26.902 1.00 0.00 N ATOM 1237 CA ILE A 72 3.701 -6.348 -26.735 1.00 0.00 C ATOM 1238 C ILE A 72 3.037 -6.631 -25.392 1.00 0.00 C ATOM 1239 O ILE A 72 2.600 -7.750 -25.127 1.00 0.00 O ATOM 1240 CB ILE A 72 2.688 -6.619 -27.863 1.00 0.00 C ATOM 1241 CG1 ILE A 72 3.306 -6.290 -29.224 1.00 0.00 C ATOM 1242 CG2 ILE A 72 1.420 -5.808 -27.642 1.00 0.00 C ATOM 1243 CD1 ILE A 72 2.504 -6.813 -30.394 1.00 0.00 C ATOM 0 H ILE A 72 4.741 -8.110 -27.191 1.00 0.00 H new ATOM 0 HA ILE A 72 4.005 -5.302 -26.774 1.00 0.00 H new ATOM 0 HB ILE A 72 2.427 -7.677 -27.850 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.406 -5.209 -29.317 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.312 -6.708 -29.268 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.714 -6.010 -28.447 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.972 -6.086 -26.688 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.665 -4.746 -27.632 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.001 -6.543 -31.326 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.426 -7.898 -30.326 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.506 -6.376 -30.375 1.00 0.00 H new ATOM 1255 N ASN A 73 2.963 -5.607 -24.548 1.00 0.00 N ATOM 1256 CA ASN A 73 2.350 -5.744 -23.232 1.00 0.00 C ATOM 1257 C ASN A 73 1.298 -4.662 -23.005 1.00 0.00 C ATOM 1258 O ASN A 73 1.607 -3.470 -23.012 1.00 0.00 O ATOM 1259 CB ASN A 73 3.418 -5.669 -22.139 1.00 0.00 C ATOM 1260 CG ASN A 73 2.876 -6.047 -20.774 1.00 0.00 C ATOM 1261 OD1 ASN A 73 2.753 -7.228 -20.448 1.00 0.00 O ATOM 1262 ND2 ASN A 73 2.549 -5.043 -19.968 1.00 0.00 N ATOM 0 H ASN A 73 3.320 -4.673 -24.752 1.00 0.00 H new ATOM 0 HA ASN A 73 1.860 -6.717 -23.187 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.244 -6.333 -22.396 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.823 -4.658 -22.099 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.179 -5.236 -19.037 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.668 -4.079 -20.280 1.00 0.00 H new ATOM 1269 N LEU A 74 0.055 -5.086 -22.805 1.00 0.00 N ATOM 1270 CA LEU A 74 -1.043 -4.155 -22.576 1.00 0.00 C ATOM 1271 C LEU A 74 -0.897 -3.462 -21.225 1.00 0.00 C ATOM 1272 O LEU A 74 -0.094 -3.875 -20.388 1.00 0.00 O ATOM 1273 CB LEU A 74 -2.384 -4.889 -22.643 1.00 0.00 C ATOM 1274 CG LEU A 74 -2.987 -5.059 -24.037 1.00 0.00 C ATOM 1275 CD1 LEU A 74 -2.118 -5.972 -24.888 1.00 0.00 C ATOM 1276 CD2 LEU A 74 -4.404 -5.606 -23.942 1.00 0.00 C ATOM 0 H LEU A 74 -0.217 -6.069 -22.797 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.012 -3.397 -23.358 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.257 -5.877 -22.201 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.101 -4.352 -22.022 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.027 -4.080 -24.516 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.564 -6.081 -25.877 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.122 -5.540 -24.985 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.045 -6.951 -24.413 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.818 -5.721 -24.944 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.387 -6.575 -23.443 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.023 -4.915 -23.371 1.00 0.00 H new ATOM 1288 N ASP A 75 -1.679 -2.408 -21.018 1.00 0.00 N ATOM 1289 CA ASP A 75 -1.640 -1.660 -19.767 1.00 0.00 C ATOM 1290 C ASP A 75 -3.035 -1.538 -19.162 1.00 0.00 C ATOM 1291 O ASP A 75 -3.348 -0.556 -18.489 1.00 0.00 O ATOM 1292 CB ASP A 75 -1.048 -0.269 -19.999 1.00 0.00 C ATOM 1293 CG ASP A 75 -0.510 0.351 -18.724 1.00 0.00 C ATOM 1294 OD1 ASP A 75 -0.116 -0.409 -17.816 1.00 0.00 O ATOM 1295 OD2 ASP A 75 -0.486 1.597 -18.635 1.00 0.00 O ATOM 0 H ASP A 75 -2.348 -2.052 -21.701 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.007 -2.204 -19.066 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.245 -0.337 -20.733 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.813 0.382 -20.422 1.00 0.00 H new ATOM 1300 N LYS A 76 -3.870 -2.542 -19.407 1.00 0.00 N ATOM 1301 CA LYS A 76 -5.232 -2.549 -18.887 1.00 0.00 C ATOM 1302 C LYS A 76 -5.421 -3.674 -17.874 1.00 0.00 C ATOM 1303 O LYS A 76 -4.487 -4.417 -17.577 1.00 0.00 O ATOM 1304 CB LYS A 76 -6.236 -2.705 -20.031 1.00 0.00 C ATOM 1305 CG LYS A 76 -6.347 -1.475 -20.915 1.00 0.00 C ATOM 1306 CD LYS A 76 -7.344 -0.474 -20.354 1.00 0.00 C ATOM 1307 CE LYS A 76 -6.672 0.514 -19.413 1.00 0.00 C ATOM 1308 NZ LYS A 76 -7.399 1.813 -19.361 1.00 0.00 N ATOM 0 H LYS A 76 -3.627 -3.362 -19.963 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.408 -1.598 -18.385 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.945 -3.558 -20.644 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.217 -2.932 -19.614 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.369 -1.003 -21.008 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.654 -1.773 -21.918 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.818 0.067 -21.173 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.134 -1.005 -19.823 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.622 0.086 -18.412 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.646 0.685 -19.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.910 2.459 -18.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.425 2.235 -20.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.371 1.654 -19.026 1.00 0.00 H new ATOM 1322 N GLU A 77 -6.637 -3.792 -17.348 1.00 0.00 N ATOM 1323 CA GLU A 77 -6.947 -4.827 -16.368 1.00 0.00 C ATOM 1324 C GLU A 77 -7.786 -5.936 -16.996 1.00 0.00 C ATOM 1325 O GLU A 77 -8.680 -5.674 -17.801 1.00 0.00 O ATOM 1326 CB GLU A 77 -7.691 -4.224 -15.175 1.00 0.00 C ATOM 1327 CG GLU A 77 -9.115 -3.803 -15.495 1.00 0.00 C ATOM 1328 CD GLU A 77 -9.848 -3.258 -14.284 1.00 0.00 C ATOM 1329 OE1 GLU A 77 -9.339 -3.429 -13.157 1.00 0.00 O ATOM 1330 OE2 GLU A 77 -10.930 -2.660 -14.464 1.00 0.00 O ATOM 0 H GLU A 77 -7.422 -3.185 -17.584 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.007 -5.257 -16.022 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.710 -4.952 -14.364 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.138 -3.358 -14.813 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.099 -3.044 -16.277 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.662 -4.658 -15.892 1.00 0.00 H new ATOM 1337 N VAL A 78 -7.490 -7.177 -16.622 1.00 0.00 N ATOM 1338 CA VAL A 78 -8.216 -8.327 -17.148 1.00 0.00 C ATOM 1339 C VAL A 78 -8.979 -9.048 -16.041 1.00 0.00 C ATOM 1340 O VAL A 78 -8.597 -8.992 -14.871 1.00 0.00 O ATOM 1341 CB VAL A 78 -7.266 -9.325 -17.835 1.00 0.00 C ATOM 1342 CG1 VAL A 78 -8.056 -10.372 -18.606 1.00 0.00 C ATOM 1343 CG2 VAL A 78 -6.298 -8.593 -18.752 1.00 0.00 C ATOM 0 H VAL A 78 -6.753 -7.411 -15.957 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.923 -7.945 -17.884 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.687 -9.836 -17.066 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.367 -11.068 -19.084 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.704 -10.917 -17.920 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.663 -9.882 -19.367 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.634 -9.313 -19.229 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.858 -8.054 -19.516 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.708 -7.887 -18.168 1.00 0.00 H new ATOM 1353 N LEU A 79 -10.057 -9.725 -16.418 1.00 0.00 N ATOM 1354 CA LEU A 79 -10.875 -10.459 -15.458 1.00 0.00 C ATOM 1355 C LEU A 79 -11.118 -11.889 -15.930 1.00 0.00 C ATOM 1356 O LEU A 79 -12.016 -12.143 -16.734 1.00 0.00 O ATOM 1357 CB LEU A 79 -12.211 -9.745 -15.245 1.00 0.00 C ATOM 1358 CG LEU A 79 -12.196 -8.572 -14.264 1.00 0.00 C ATOM 1359 CD1 LEU A 79 -13.395 -7.666 -14.498 1.00 0.00 C ATOM 1360 CD2 LEU A 79 -12.179 -9.077 -12.829 1.00 0.00 C ATOM 0 H LEU A 79 -10.386 -9.781 -17.382 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.335 -10.496 -14.512 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.564 -9.381 -16.210 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.939 -10.476 -14.895 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.289 -7.992 -14.434 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.368 -6.837 -13.791 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.364 -7.276 -15.516 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.314 -8.235 -14.355 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -12.168 -8.229 -12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -13.068 -9.680 -12.645 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.288 -9.684 -12.668 1.00 0.00 H new ATOM 1372 N TYR A 80 -10.316 -12.818 -15.424 1.00 0.00 N ATOM 1373 CA TYR A 80 -10.444 -14.223 -15.794 1.00 0.00 C ATOM 1374 C TYR A 80 -10.814 -15.074 -14.583 1.00 0.00 C ATOM 1375 O TYR A 80 -9.957 -15.647 -13.910 1.00 0.00 O ATOM 1376 CB TYR A 80 -9.139 -14.731 -16.410 1.00 0.00 C ATOM 1377 CG TYR A 80 -7.913 -13.989 -15.928 1.00 0.00 C ATOM 1378 CD1 TYR A 80 -7.348 -14.271 -14.690 1.00 0.00 C ATOM 1379 CD2 TYR A 80 -7.321 -13.005 -16.710 1.00 0.00 C ATOM 1380 CE1 TYR A 80 -6.228 -13.595 -14.246 1.00 0.00 C ATOM 1381 CE2 TYR A 80 -6.200 -12.325 -16.274 1.00 0.00 C ATOM 1382 CZ TYR A 80 -5.658 -12.623 -15.041 1.00 0.00 C ATOM 1383 OH TYR A 80 -4.542 -11.947 -14.603 1.00 0.00 O ATOM 0 H TYR A 80 -9.570 -12.624 -14.756 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.242 -14.307 -16.531 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.026 -15.790 -16.179 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.202 -14.646 -17.495 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.792 -15.031 -14.065 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.744 -12.768 -17.675 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.801 -13.827 -13.281 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.751 -11.564 -16.895 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.839 -12.001 -15.283 1.00 0.00 H new ATOM 1393 N PRO A 81 -12.122 -15.159 -14.298 1.00 0.00 N ATOM 1394 CA PRO A 81 -12.637 -15.938 -13.169 1.00 0.00 C ATOM 1395 C PRO A 81 -12.485 -17.440 -13.384 1.00 0.00 C ATOM 1396 O PRO A 81 -12.578 -17.930 -14.510 1.00 0.00 O ATOM 1397 CB PRO A 81 -14.117 -15.552 -13.117 1.00 0.00 C ATOM 1398 CG PRO A 81 -14.448 -15.132 -14.507 1.00 0.00 C ATOM 1399 CD PRO A 81 -13.199 -14.502 -15.058 1.00 0.00 C ATOM 0 HA PRO A 81 -12.095 -15.727 -12.247 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.734 -16.392 -12.800 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -14.290 -14.743 -12.407 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.753 -15.987 -15.111 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.277 -14.425 -14.514 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.099 -14.677 -16.129 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.194 -13.422 -14.910 1.00 0.00 H new ATOM 1407 N LYS A 82 -12.252 -18.168 -12.297 1.00 0.00 N ATOM 1408 CA LYS A 82 -12.090 -19.616 -12.366 1.00 0.00 C ATOM 1409 C LYS A 82 -13.339 -20.277 -12.939 1.00 0.00 C ATOM 1410 O LYS A 82 -14.367 -20.373 -12.268 1.00 0.00 O ATOM 1411 CB LYS A 82 -11.792 -20.183 -10.976 1.00 0.00 C ATOM 1412 CG LYS A 82 -11.055 -21.510 -11.005 1.00 0.00 C ATOM 1413 CD LYS A 82 -10.181 -21.690 -9.775 1.00 0.00 C ATOM 1414 CE LYS A 82 -11.009 -22.050 -8.551 1.00 0.00 C ATOM 1415 NZ LYS A 82 -10.212 -22.805 -7.545 1.00 0.00 N ATOM 0 H LYS A 82 -12.171 -17.779 -11.358 1.00 0.00 H new ATOM 0 HA LYS A 82 -11.251 -19.831 -13.027 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.198 -19.459 -10.418 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.730 -20.310 -10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.775 -22.326 -11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.438 -21.565 -11.902 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.446 -22.473 -9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.627 -20.771 -9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.399 -21.140 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.868 -22.647 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.812 -23.032 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.860 -23.686 -7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.406 -22.225 -7.234 1.00 0.00 H new ATOM 1429 N LEU A 83 -13.243 -20.732 -14.183 1.00 0.00 N ATOM 1430 CA LEU A 83 -14.365 -21.387 -14.847 1.00 0.00 C ATOM 1431 C LEU A 83 -14.428 -22.866 -14.479 1.00 0.00 C ATOM 1432 O LEU A 83 -13.538 -23.388 -13.808 1.00 0.00 O ATOM 1433 CB LEU A 83 -14.247 -21.231 -16.364 1.00 0.00 C ATOM 1434 CG LEU A 83 -14.664 -19.875 -16.934 1.00 0.00 C ATOM 1435 CD1 LEU A 83 -14.340 -19.797 -18.418 1.00 0.00 C ATOM 1436 CD2 LEU A 83 -16.147 -19.630 -16.697 1.00 0.00 C ATOM 0 H LEU A 83 -12.400 -20.660 -14.753 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.284 -20.909 -14.509 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -13.212 -21.420 -16.649 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.854 -22.003 -16.837 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.100 -19.097 -16.419 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.644 -18.825 -18.806 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.268 -19.927 -18.564 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.876 -20.583 -18.949 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.426 -18.660 -17.109 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.728 -20.413 -17.185 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.351 -19.641 -15.626 1.00 0.00 H new ATOM 1448 N LYS A 84 -15.485 -23.537 -14.926 1.00 0.00 N ATOM 1449 CA LYS A 84 -15.663 -24.957 -14.647 1.00 0.00 C ATOM 1450 C LYS A 84 -14.547 -25.780 -15.281 1.00 0.00 C ATOM 1451 O LYS A 84 -14.048 -25.445 -16.355 1.00 0.00 O ATOM 1452 CB LYS A 84 -17.021 -25.433 -15.169 1.00 0.00 C ATOM 1453 CG LYS A 84 -17.306 -26.896 -14.877 1.00 0.00 C ATOM 1454 CD LYS A 84 -18.582 -27.362 -15.557 1.00 0.00 C ATOM 1455 CE LYS A 84 -19.004 -28.739 -15.066 1.00 0.00 C ATOM 1456 NZ LYS A 84 -19.763 -28.664 -13.787 1.00 0.00 N ATOM 0 H LYS A 84 -16.231 -23.120 -15.483 1.00 0.00 H new ATOM 0 HA LYS A 84 -15.625 -25.097 -13.567 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -17.806 -24.823 -14.723 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -17.064 -25.271 -16.246 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.468 -27.506 -15.216 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.392 -27.043 -13.800 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -19.381 -26.645 -15.365 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.431 -27.390 -16.636 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -19.619 -29.222 -15.825 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -18.120 -29.362 -14.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -20.032 -29.623 -13.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.168 -28.226 -13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -20.620 -28.091 -13.925 1.00 0.00 H new ATOM 1470 N ALA A 85 -14.159 -26.860 -14.610 1.00 0.00 N ATOM 1471 CA ALA A 85 -13.104 -27.732 -15.109 1.00 0.00 C ATOM 1472 C ALA A 85 -13.688 -28.986 -15.753 1.00 0.00 C ATOM 1473 O ALA A 85 -14.850 -29.327 -15.531 1.00 0.00 O ATOM 1474 CB ALA A 85 -12.153 -28.109 -13.983 1.00 0.00 C ATOM 0 H ALA A 85 -14.560 -27.152 -13.719 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.547 -27.188 -15.872 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.370 -28.761 -14.371 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.702 -27.207 -13.570 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.704 -28.630 -13.200 1.00 0.00 H new ATOM 1480 N THR A 86 -12.874 -29.669 -16.552 1.00 0.00 N ATOM 1481 CA THR A 86 -13.309 -30.884 -17.229 1.00 0.00 C ATOM 1482 C THR A 86 -12.829 -32.128 -16.490 1.00 0.00 C ATOM 1483 O THR A 86 -11.794 -32.105 -15.824 1.00 0.00 O ATOM 1484 CB THR A 86 -12.797 -30.933 -18.680 1.00 0.00 C ATOM 1485 OG1 THR A 86 -13.318 -32.089 -19.345 1.00 0.00 O ATOM 1486 CG2 THR A 86 -11.276 -30.964 -18.716 1.00 0.00 C ATOM 0 H THR A 86 -11.909 -29.401 -16.746 1.00 0.00 H new ATOM 0 HA THR A 86 -14.399 -30.868 -17.237 1.00 0.00 H new ATOM 0 HB THR A 86 -13.139 -30.034 -19.193 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.989 -32.112 -20.268 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.937 -30.998 -19.751 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.882 -30.069 -18.235 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.917 -31.847 -18.187 1.00 0.00 H new ATOM 1494 N ASP A 87 -13.586 -33.212 -16.613 1.00 0.00 N ATOM 1495 CA ASP A 87 -13.236 -34.467 -15.957 1.00 0.00 C ATOM 1496 C ASP A 87 -12.019 -35.105 -16.620 1.00 0.00 C ATOM 1497 O ASP A 87 -11.696 -34.803 -17.768 1.00 0.00 O ATOM 1498 CB ASP A 87 -14.419 -35.436 -15.997 1.00 0.00 C ATOM 1499 CG ASP A 87 -15.463 -35.117 -14.945 1.00 0.00 C ATOM 1500 OD1 ASP A 87 -15.273 -35.521 -13.778 1.00 0.00 O ATOM 1501 OD2 ASP A 87 -16.470 -34.464 -15.288 1.00 0.00 O ATOM 0 H ASP A 87 -14.446 -33.248 -17.161 1.00 0.00 H new ATOM 0 HA ASP A 87 -12.990 -34.249 -14.918 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -14.880 -35.402 -16.984 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -14.057 -36.453 -15.849 1.00 0.00 H new ATOM 1506 N GLU A 88 -11.347 -35.988 -15.887 1.00 0.00 N ATOM 1507 CA GLU A 88 -10.164 -36.666 -16.404 1.00 0.00 C ATOM 1508 C GLU A 88 -10.515 -38.061 -16.913 1.00 0.00 C ATOM 1509 O GLU A 88 -11.662 -38.498 -16.817 1.00 0.00 O ATOM 1510 CB GLU A 88 -9.089 -36.763 -15.318 1.00 0.00 C ATOM 1511 CG GLU A 88 -8.244 -35.507 -15.185 1.00 0.00 C ATOM 1512 CD GLU A 88 -9.050 -34.307 -14.726 1.00 0.00 C ATOM 1513 OE1 GLU A 88 -9.899 -34.472 -13.825 1.00 0.00 O ATOM 1514 OE2 GLU A 88 -8.831 -33.204 -15.268 1.00 0.00 O ATOM 0 H GLU A 88 -11.601 -36.250 -14.935 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.777 -36.081 -17.238 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.568 -36.971 -14.362 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.437 -37.608 -15.538 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.437 -35.690 -14.476 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.780 -35.282 -16.145 1.00 0.00 H new ATOM 1521 N ASP A 89 -9.520 -38.754 -17.455 1.00 0.00 N ATOM 1522 CA ASP A 89 -9.722 -40.099 -17.980 1.00 0.00 C ATOM 1523 C ASP A 89 -9.210 -41.148 -16.998 1.00 0.00 C ATOM 1524 O ASP A 89 -9.868 -42.161 -16.757 1.00 0.00 O ATOM 1525 CB ASP A 89 -9.016 -40.256 -19.327 1.00 0.00 C ATOM 1526 CG ASP A 89 -9.167 -41.651 -19.901 1.00 0.00 C ATOM 1527 OD1 ASP A 89 -8.466 -42.568 -19.424 1.00 0.00 O ATOM 1528 OD2 ASP A 89 -9.985 -41.826 -20.829 1.00 0.00 O ATOM 0 H ASP A 89 -8.565 -38.406 -17.542 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.792 -40.250 -18.120 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -9.420 -39.530 -20.033 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.957 -40.028 -19.207 1.00 0.00 H new TER 1533 ASP A 89