USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 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 45 HIS : no HE2:sc= -0.714 K(o=0.37,f=-13!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 174:sc= 1.08 (180deg=0) USER MOD Set 2.1: A 34 TYR OH : rot 130:sc= 0.789 USER MOD Set 2.2: A 36 SER OG : rot 77:sc= 1.08 USER MOD Set 3.1: A 28 LYS NZ :NH3+ 171:sc= 1.92 (180deg=-0.367) USER MOD Set 3.2: A 29 HIS : no HE2:sc= -0.655 K(o=2.9,f=-11!) USER MOD Set 3.3: A 61 THR OG1 : rot 86:sc= 1.62 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0711) USER MOD Single : A 1 MET N :NH3+ -154:sc= 1.22 (180deg=1) USER MOD Single : A 13 MET CE :methyl -160:sc= -0.756 (180deg=-1.7) USER MOD Single : A 14 THR OG1 : rot -40:sc= 0.902 USER MOD Single : A 17 SER OG : rot 180:sc= 0.105 USER MOD Single : A 20 HIS : no HD1:sc= -0.896 X(o=-0.9,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 1.4 (180deg=1.29) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -160:sc= 0 USER MOD Single : A 27 THR OG1 : rot 21:sc= 1.23 USER MOD Single : A 35 CYS SG : rot 174:sc= -0.77 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0822 USER MOD Single : A 42 ASN : amide:sc= 0.705 K(o=0.7,f=-0.0081) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.986 K(o=0.99,f=-11!) USER MOD Single : A 64 SER OG : rot 73:sc= 1.15 USER MOD Single : A 70 SER OG : rot 62:sc= 0.466 USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= 2.16 (180deg=-0.613!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.051 -7.713 -10.081 1.00 5.20 N ATOM 2 CA MET A 1 -14.372 -9.091 -9.669 1.00 3.65 C ATOM 3 C MET A 1 -13.036 -9.818 -9.587 1.00 2.73 C ATOM 4 O MET A 1 -12.434 -10.081 -10.622 1.00 3.83 O ATOM 5 CB MET A 1 -15.356 -9.738 -10.655 1.00 4.20 C ATOM 6 CG MET A 1 -15.793 -11.141 -10.210 1.00 4.46 C ATOM 7 SD MET A 1 -16.849 -12.043 -11.376 1.00 5.57 S ATOM 8 CE MET A 1 -18.309 -10.980 -11.436 1.00 6.45 C ATOM 0 H1 MET A 1 -14.795 -7.068 -9.746 1.00 5.20 H new ATOM 0 H2 MET A 1 -13.138 -7.432 -9.670 1.00 5.20 H new ATOM 0 H3 MET A 1 -13.993 -7.665 -11.118 1.00 5.20 H new ATOM 0 HA MET A 1 -14.877 -9.132 -8.704 1.00 3.65 H new ATOM 0 HB2 MET A 1 -16.235 -9.102 -10.757 1.00 4.20 H new ATOM 0 HB3 MET A 1 -14.892 -9.800 -11.639 1.00 4.20 H new ATOM 0 HG2 MET A 1 -14.900 -11.737 -10.021 1.00 4.46 H new ATOM 0 HG3 MET A 1 -16.323 -11.053 -9.262 1.00 4.46 H new ATOM 0 HE1 MET A 1 -19.092 -11.470 -12.015 1.00 6.45 H new ATOM 0 HE2 MET A 1 -18.668 -10.797 -10.423 1.00 6.45 H new ATOM 0 HE3 MET A 1 -18.049 -10.031 -11.906 1.00 6.45 H new ATOM 20 N GLY A 2 -12.499 -9.937 -8.371 1.00 2.22 N ATOM 21 CA GLY A 2 -11.075 -9.689 -8.191 1.00 2.61 C ATOM 22 C GLY A 2 -10.815 -8.189 -8.387 1.00 1.72 C ATOM 23 O GLY A 2 -11.721 -7.459 -8.813 1.00 2.30 O ATOM 0 H GLY A 2 -13.010 -10.194 -7.527 1.00 2.22 H new ATOM 0 HA2 GLY A 2 -10.759 -10.002 -7.196 1.00 2.61 H new ATOM 0 HA3 GLY A 2 -10.495 -10.271 -8.907 1.00 2.61 H new ATOM 27 N ASP A 3 -9.604 -7.738 -8.061 1.00 2.03 N ATOM 28 CA ASP A 3 -9.210 -6.331 -8.003 1.00 1.46 C ATOM 29 C ASP A 3 -10.030 -5.562 -6.955 1.00 1.33 C ATOM 30 O ASP A 3 -10.997 -6.068 -6.382 1.00 2.23 O ATOM 31 CB ASP A 3 -9.251 -5.677 -9.404 1.00 1.57 C ATOM 32 CG ASP A 3 -8.435 -4.386 -9.537 1.00 2.91 C ATOM 33 OD1 ASP A 3 -7.774 -3.995 -8.550 1.00 4.27 O ATOM 34 OD2 ASP A 3 -8.490 -3.791 -10.633 1.00 3.53 O ATOM 0 H ASP A 3 -8.840 -8.369 -7.820 1.00 2.03 H new ATOM 0 HA ASP A 3 -8.172 -6.282 -7.673 1.00 1.46 H new ATOM 0 HB2 ASP A 3 -8.886 -6.397 -10.136 1.00 1.57 H new ATOM 0 HB3 ASP A 3 -10.289 -5.462 -9.658 1.00 1.57 H new ATOM 39 N GLY A 4 -9.614 -4.327 -6.695 1.00 1.46 N ATOM 40 CA GLY A 4 -10.059 -3.492 -5.601 1.00 1.59 C ATOM 41 C GLY A 4 -8.929 -2.511 -5.325 1.00 1.59 C ATOM 42 O GLY A 4 -8.064 -2.776 -4.491 1.00 2.51 O ATOM 0 H GLY A 4 -8.918 -3.862 -7.279 1.00 1.46 H new ATOM 0 HA2 GLY A 4 -10.976 -2.965 -5.863 1.00 1.59 H new ATOM 0 HA3 GLY A 4 -10.277 -4.092 -4.718 1.00 1.59 H new ATOM 46 N VAL A 5 -8.904 -1.400 -6.069 1.00 1.05 N ATOM 47 CA VAL A 5 -7.907 -0.361 -5.879 1.00 1.01 C ATOM 48 C VAL A 5 -8.294 0.527 -4.698 1.00 0.97 C ATOM 49 O VAL A 5 -9.394 1.076 -4.669 1.00 1.25 O ATOM 50 CB VAL A 5 -7.623 0.408 -7.184 1.00 1.29 C ATOM 51 CG1 VAL A 5 -8.811 1.218 -7.718 1.00 2.16 C ATOM 52 CG2 VAL A 5 -6.418 1.340 -6.987 1.00 2.92 C ATOM 0 H VAL A 5 -9.573 -1.204 -6.813 1.00 1.05 H new ATOM 0 HA VAL A 5 -6.953 -0.822 -5.621 1.00 1.01 H new ATOM 0 HB VAL A 5 -7.414 -0.354 -7.935 1.00 1.29 H new ATOM 0 HG11 VAL A 5 -8.521 1.726 -8.638 1.00 2.16 H new ATOM 0 HG12 VAL A 5 -9.646 0.548 -7.921 1.00 2.16 H new ATOM 0 HG13 VAL A 5 -9.111 1.957 -6.975 1.00 2.16 H new ATOM 0 HG21 VAL A 5 -6.221 1.881 -7.913 1.00 2.92 H new ATOM 0 HG22 VAL A 5 -6.635 2.051 -6.190 1.00 2.92 H new ATOM 0 HG23 VAL A 5 -5.542 0.750 -6.719 1.00 2.92 H new ATOM 62 N LEU A 6 -7.395 0.658 -3.720 1.00 0.82 N ATOM 63 CA LEU A 6 -7.498 1.630 -2.647 1.00 0.83 C ATOM 64 C LEU A 6 -6.229 2.466 -2.685 1.00 0.80 C ATOM 65 O LEU A 6 -5.144 1.904 -2.845 1.00 0.85 O ATOM 66 CB LEU A 6 -7.625 0.893 -1.313 1.00 0.90 C ATOM 67 CG LEU A 6 -7.493 1.770 -0.060 1.00 2.22 C ATOM 68 CD1 LEU A 6 -8.602 2.823 0.043 1.00 3.52 C ATOM 69 CD2 LEU A 6 -7.527 0.880 1.188 1.00 2.49 C ATOM 0 H LEU A 6 -6.560 0.075 -3.657 1.00 0.82 H new ATOM 0 HA LEU A 6 -8.373 2.270 -2.762 1.00 0.83 H new ATOM 0 HB2 LEU A 6 -8.593 0.392 -1.285 1.00 0.90 H new ATOM 0 HB3 LEU A 6 -6.862 0.115 -1.273 1.00 0.90 H new ATOM 0 HG LEU A 6 -6.544 2.300 -0.134 1.00 2.22 H new ATOM 0 HD11 LEU A 6 -8.459 3.414 0.947 1.00 3.52 H new ATOM 0 HD12 LEU A 6 -8.565 3.477 -0.828 1.00 3.52 H new ATOM 0 HD13 LEU A 6 -9.572 2.327 0.083 1.00 3.52 H new ATOM 0 HD21 LEU A 6 -7.433 1.500 2.080 1.00 2.49 H new ATOM 0 HD22 LEU A 6 -8.471 0.336 1.222 1.00 2.49 H new ATOM 0 HD23 LEU A 6 -6.701 0.170 1.151 1.00 2.49 H new ATOM 81 N GLU A 7 -6.380 3.781 -2.520 1.00 0.80 N ATOM 82 CA GLU A 7 -5.302 4.753 -2.452 1.00 0.83 C ATOM 83 C GLU A 7 -5.139 5.193 -0.999 1.00 0.80 C ATOM 84 O GLU A 7 -5.970 5.932 -0.465 1.00 1.16 O ATOM 85 CB GLU A 7 -5.538 5.940 -3.400 1.00 0.91 C ATOM 86 CG GLU A 7 -5.994 5.484 -4.798 1.00 1.00 C ATOM 87 CD GLU A 7 -7.468 5.100 -4.824 1.00 2.85 C ATOM 88 OE1 GLU A 7 -8.217 5.654 -3.994 1.00 4.16 O ATOM 89 OE2 GLU A 7 -7.861 4.221 -5.617 1.00 3.97 O ATOM 0 H GLU A 7 -7.300 4.211 -2.427 1.00 0.80 H new ATOM 0 HA GLU A 7 -4.374 4.292 -2.791 1.00 0.83 H new ATOM 0 HB2 GLU A 7 -6.291 6.601 -2.971 1.00 0.91 H new ATOM 0 HB3 GLU A 7 -4.619 6.519 -3.490 1.00 0.91 H new ATOM 0 HG2 GLU A 7 -5.816 6.285 -5.516 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -5.392 4.632 -5.115 1.00 1.00 H new ATOM 96 N LEU A 8 -4.070 4.715 -0.363 1.00 0.54 N ATOM 97 CA LEU A 8 -3.724 5.014 1.015 1.00 0.54 C ATOM 98 C LEU A 8 -2.508 5.940 0.986 1.00 0.51 C ATOM 99 O LEU A 8 -1.509 5.652 0.325 1.00 0.50 O ATOM 100 CB LEU A 8 -3.505 3.725 1.838 1.00 0.58 C ATOM 101 CG LEU A 8 -2.688 2.647 1.106 1.00 0.78 C ATOM 102 CD1 LEU A 8 -1.913 1.804 2.115 1.00 1.05 C ATOM 103 CD2 LEU A 8 -3.572 1.694 0.290 1.00 1.46 C ATOM 0 H LEU A 8 -3.403 4.089 -0.813 1.00 0.54 H new ATOM 0 HA LEU A 8 -4.542 5.523 1.525 1.00 0.54 H new ATOM 0 HB2 LEU A 8 -2.998 3.982 2.768 1.00 0.58 H new ATOM 0 HB3 LEU A 8 -4.476 3.309 2.108 1.00 0.58 H new ATOM 0 HG LEU A 8 -2.017 3.176 0.429 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -1.337 1.043 1.588 1.00 1.05 H new ATOM 0 HD12 LEU A 8 -1.236 2.444 2.680 1.00 1.05 H new ATOM 0 HD13 LEU A 8 -2.611 1.321 2.799 1.00 1.05 H new ATOM 0 HD21 LEU A 8 -2.946 0.953 -0.207 1.00 1.46 H new ATOM 0 HD22 LEU A 8 -4.274 1.190 0.955 1.00 1.46 H new ATOM 0 HD23 LEU A 8 -4.125 2.262 -0.458 1.00 1.46 H new ATOM 115 N VAL A 9 -2.613 7.084 1.662 1.00 0.55 N ATOM 116 CA VAL A 9 -1.550 8.066 1.761 1.00 0.56 C ATOM 117 C VAL A 9 -0.581 7.564 2.832 1.00 0.51 C ATOM 118 O VAL A 9 -0.803 7.760 4.027 1.00 0.72 O ATOM 119 CB VAL A 9 -2.131 9.463 2.045 1.00 0.69 C ATOM 120 CG1 VAL A 9 -1.018 10.518 2.080 1.00 0.88 C ATOM 121 CG2 VAL A 9 -3.139 9.862 0.957 1.00 1.03 C ATOM 0 H VAL A 9 -3.459 7.353 2.164 1.00 0.55 H new ATOM 0 HA VAL A 9 -1.004 8.178 0.825 1.00 0.56 H new ATOM 0 HB VAL A 9 -2.628 9.418 3.014 1.00 0.69 H new ATOM 0 HG11 VAL A 9 -1.451 11.498 2.282 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.304 10.268 2.865 1.00 0.88 H new ATOM 0 HG13 VAL A 9 -0.506 10.539 1.118 1.00 0.88 H new ATOM 0 HG21 VAL A 9 -3.538 10.852 1.176 1.00 1.03 H new ATOM 0 HG22 VAL A 9 -2.641 9.878 -0.012 1.00 1.03 H new ATOM 0 HG23 VAL A 9 -3.955 9.139 0.934 1.00 1.03 H new ATOM 131 N VAL A 10 0.474 6.876 2.396 1.00 0.47 N ATOM 132 CA VAL A 10 1.500 6.272 3.223 1.00 0.43 C ATOM 133 C VAL A 10 2.485 7.350 3.670 1.00 0.44 C ATOM 134 O VAL A 10 3.673 7.334 3.344 1.00 0.76 O ATOM 135 CB VAL A 10 2.162 5.117 2.450 1.00 0.43 C ATOM 136 CG1 VAL A 10 1.177 3.962 2.248 1.00 0.57 C ATOM 137 CG2 VAL A 10 2.675 5.524 1.067 1.00 0.65 C ATOM 0 H VAL A 10 0.638 6.721 1.401 1.00 0.47 H new ATOM 0 HA VAL A 10 1.074 5.840 4.128 1.00 0.43 H new ATOM 0 HB VAL A 10 3.011 4.816 3.064 1.00 0.43 H new ATOM 0 HG11 VAL A 10 1.667 3.158 1.700 1.00 0.57 H new ATOM 0 HG12 VAL A 10 0.847 3.591 3.218 1.00 0.57 H new ATOM 0 HG13 VAL A 10 0.315 4.314 1.682 1.00 0.57 H new ATOM 0 HG21 VAL A 10 3.129 4.662 0.579 1.00 0.65 H new ATOM 0 HG22 VAL A 10 1.843 5.887 0.463 1.00 0.65 H new ATOM 0 HG23 VAL A 10 3.418 6.314 1.173 1.00 0.65 H new ATOM 147 N ARG A 11 1.989 8.290 4.470 1.00 0.39 N ATOM 148 CA ARG A 11 2.777 9.457 4.822 1.00 0.47 C ATOM 149 C ARG A 11 3.834 9.026 5.838 1.00 0.52 C ATOM 150 O ARG A 11 3.548 8.279 6.778 1.00 0.84 O ATOM 151 CB ARG A 11 1.886 10.606 5.317 1.00 0.87 C ATOM 152 CG ARG A 11 1.017 10.231 6.522 1.00 1.15 C ATOM 153 CD ARG A 11 -0.086 11.269 6.764 1.00 1.53 C ATOM 154 NE ARG A 11 -1.138 10.679 7.601 1.00 2.66 N ATOM 155 CZ ARG A 11 -1.011 10.375 8.899 1.00 3.50 C ATOM 156 NH1 ARG A 11 -0.054 10.950 9.632 1.00 3.93 N ATOM 157 NH2 ARG A 11 -1.828 9.454 9.408 1.00 4.94 N ATOM 0 H ARG A 11 1.056 8.264 4.880 1.00 0.39 H new ATOM 0 HA ARG A 11 3.286 9.855 3.944 1.00 0.47 H new ATOM 0 HB2 ARG A 11 2.516 11.455 5.584 1.00 0.87 H new ATOM 0 HB3 ARG A 11 1.241 10.932 4.501 1.00 0.87 H new ATOM 0 HG2 ARG A 11 0.567 9.252 6.357 1.00 1.15 H new ATOM 0 HG3 ARG A 11 1.642 10.149 7.411 1.00 1.15 H new ATOM 0 HD2 ARG A 11 0.330 12.151 7.252 1.00 1.53 H new ATOM 0 HD3 ARG A 11 -0.505 11.599 5.813 1.00 1.53 H new ATOM 0 HE ARG A 11 -2.037 10.485 7.159 1.00 2.66 H new ATOM 0 HH11 ARG A 11 0.582 11.622 9.203 1.00 3.93 H new ATOM 0 HH12 ARG A 11 0.041 10.717 10.620 1.00 3.93 H new ATOM 0 HH21 ARG A 11 -2.523 9.004 8.813 1.00 4.94 H new ATOM 0 HH22 ARG A 11 -1.758 9.199 10.393 1.00 4.94 H new ATOM 171 N GLY A 12 5.075 9.436 5.564 1.00 0.47 N ATOM 172 CA GLY A 12 6.270 8.954 6.228 1.00 0.55 C ATOM 173 C GLY A 12 7.380 8.745 5.196 1.00 0.55 C ATOM 174 O GLY A 12 8.493 9.227 5.388 1.00 0.75 O ATOM 0 H GLY A 12 5.273 10.136 4.849 1.00 0.47 H new ATOM 0 HA2 GLY A 12 6.592 9.670 6.984 1.00 0.55 H new ATOM 0 HA3 GLY A 12 6.059 8.018 6.745 1.00 0.55 H new ATOM 178 N MET A 13 7.091 8.042 4.093 1.00 0.53 N ATOM 179 CA MET A 13 8.107 7.774 3.085 1.00 0.64 C ATOM 180 C MET A 13 8.383 9.036 2.266 1.00 0.70 C ATOM 181 O MET A 13 7.468 9.832 2.041 1.00 1.03 O ATOM 182 CB MET A 13 7.672 6.611 2.184 1.00 0.98 C ATOM 183 CG MET A 13 6.588 7.001 1.179 1.00 0.86 C ATOM 184 SD MET A 13 6.043 5.662 0.102 1.00 1.32 S ATOM 185 CE MET A 13 5.094 6.684 -1.034 1.00 1.16 C ATOM 0 H MET A 13 6.171 7.655 3.884 1.00 0.53 H new ATOM 0 HA MET A 13 9.032 7.484 3.582 1.00 0.64 H new ATOM 0 HB2 MET A 13 8.540 6.234 1.644 1.00 0.98 H new ATOM 0 HB3 MET A 13 7.305 5.795 2.807 1.00 0.98 H new ATOM 0 HG2 MET A 13 5.726 7.384 1.725 1.00 0.86 H new ATOM 0 HG3 MET A 13 6.961 7.817 0.561 1.00 0.86 H new ATOM 0 HE1 MET A 13 4.381 6.061 -1.575 1.00 1.16 H new ATOM 0 HE2 MET A 13 4.556 7.448 -0.473 1.00 1.16 H new ATOM 0 HE3 MET A 13 5.769 7.162 -1.744 1.00 1.16 H new ATOM 195 N THR A 14 9.615 9.191 1.768 1.00 0.67 N ATOM 196 CA THR A 14 9.973 10.318 0.912 1.00 0.98 C ATOM 197 C THR A 14 11.138 9.988 -0.036 1.00 0.74 C ATOM 198 O THR A 14 11.800 10.907 -0.518 1.00 0.88 O ATOM 199 CB THR A 14 10.247 11.557 1.788 1.00 1.63 C ATOM 200 OG1 THR A 14 10.471 12.695 0.983 1.00 2.50 O ATOM 201 CG2 THR A 14 11.440 11.360 2.731 1.00 1.88 C ATOM 0 H THR A 14 10.382 8.543 1.947 1.00 0.67 H new ATOM 0 HA THR A 14 9.132 10.541 0.256 1.00 0.98 H new ATOM 0 HB THR A 14 9.358 11.705 2.401 1.00 1.63 H new ATOM 0 HG1 THR A 14 11.020 12.446 0.210 1.00 2.50 H new ATOM 0 HG21 THR A 14 11.588 12.263 3.324 1.00 1.88 H new ATOM 0 HG22 THR A 14 11.244 10.518 3.395 1.00 1.88 H new ATOM 0 HG23 THR A 14 12.337 11.159 2.146 1.00 1.88 H new ATOM 209 N CYS A 15 11.388 8.705 -0.328 1.00 0.73 N ATOM 210 CA CYS A 15 12.538 8.284 -1.114 1.00 0.64 C ATOM 211 C CYS A 15 12.267 6.920 -1.743 1.00 0.61 C ATOM 212 O CYS A 15 11.595 6.079 -1.144 1.00 0.54 O ATOM 213 CB CYS A 15 13.808 8.297 -0.244 1.00 0.88 C ATOM 214 SG CYS A 15 13.600 8.128 1.556 1.00 1.56 S ATOM 0 H CYS A 15 10.794 7.935 -0.022 1.00 0.73 H new ATOM 0 HA CYS A 15 12.706 8.986 -1.931 1.00 0.64 H new ATOM 0 HB2 CYS A 15 14.456 7.489 -0.584 1.00 0.88 H new ATOM 0 HB3 CYS A 15 14.336 9.231 -0.435 1.00 0.88 H new ATOM 219 N ALA A 16 12.791 6.708 -2.957 1.00 0.75 N ATOM 220 CA ALA A 16 12.631 5.482 -3.736 1.00 0.88 C ATOM 221 C ALA A 16 12.952 4.243 -2.896 1.00 0.76 C ATOM 222 O ALA A 16 12.254 3.231 -2.963 1.00 0.76 O ATOM 223 CB ALA A 16 13.529 5.543 -4.976 1.00 1.16 C ATOM 0 H ALA A 16 13.355 7.410 -3.436 1.00 0.75 H new ATOM 0 HA ALA A 16 11.590 5.402 -4.049 1.00 0.88 H new ATOM 0 HB1 ALA A 16 13.410 4.629 -5.557 1.00 1.16 H new ATOM 0 HB2 ALA A 16 13.248 6.401 -5.587 1.00 1.16 H new ATOM 0 HB3 ALA A 16 14.569 5.643 -4.667 1.00 1.16 H new ATOM 229 N SER A 17 14.001 4.362 -2.080 1.00 0.77 N ATOM 230 CA SER A 17 14.387 3.423 -1.048 1.00 0.75 C ATOM 231 C SER A 17 13.174 2.893 -0.278 1.00 0.62 C ATOM 232 O SER A 17 13.042 1.691 -0.060 1.00 0.72 O ATOM 233 CB SER A 17 15.360 4.152 -0.117 1.00 0.92 C ATOM 234 OG SER A 17 16.254 4.920 -0.905 1.00 2.04 O ATOM 0 H SER A 17 14.632 5.162 -2.132 1.00 0.77 H new ATOM 0 HA SER A 17 14.862 2.549 -1.494 1.00 0.75 H new ATOM 0 HB2 SER A 17 14.813 4.797 0.571 1.00 0.92 H new ATOM 0 HB3 SER A 17 15.912 3.434 0.490 1.00 0.92 H new ATOM 0 HG SER A 17 16.882 5.393 -0.320 1.00 2.04 H new ATOM 240 N CYS A 18 12.306 3.797 0.181 1.00 0.50 N ATOM 241 CA CYS A 18 11.067 3.421 0.827 1.00 0.51 C ATOM 242 C CYS A 18 10.006 2.891 -0.134 1.00 0.45 C ATOM 243 O CYS A 18 9.350 1.899 0.180 1.00 0.54 O ATOM 244 CB CYS A 18 10.584 4.515 1.767 1.00 0.72 C ATOM 245 SG CYS A 18 11.684 4.722 3.196 1.00 1.32 S ATOM 0 H CYS A 18 12.450 4.804 0.111 1.00 0.50 H new ATOM 0 HA CYS A 18 11.281 2.556 1.454 1.00 0.51 H new ATOM 0 HB2 CYS A 18 10.517 5.457 1.222 1.00 0.72 H new ATOM 0 HB3 CYS A 18 9.579 4.276 2.115 1.00 0.72 H new ATOM 250 N VAL A 19 9.836 3.535 -1.291 1.00 0.45 N ATOM 251 CA VAL A 19 8.821 3.169 -2.275 1.00 0.58 C ATOM 252 C VAL A 19 8.887 1.669 -2.532 1.00 0.63 C ATOM 253 O VAL A 19 7.913 0.936 -2.343 1.00 0.65 O ATOM 254 CB VAL A 19 9.037 3.962 -3.577 1.00 0.73 C ATOM 255 CG1 VAL A 19 8.056 3.570 -4.685 1.00 0.94 C ATOM 256 CG2 VAL A 19 8.888 5.461 -3.311 1.00 0.74 C ATOM 0 H VAL A 19 10.406 4.333 -1.572 1.00 0.45 H new ATOM 0 HA VAL A 19 7.831 3.416 -1.891 1.00 0.58 H new ATOM 0 HB VAL A 19 10.045 3.722 -3.916 1.00 0.73 H new ATOM 0 HG11 VAL A 19 8.258 4.163 -5.577 1.00 0.94 H new ATOM 0 HG12 VAL A 19 8.175 2.512 -4.918 1.00 0.94 H new ATOM 0 HG13 VAL A 19 7.036 3.756 -4.350 1.00 0.94 H new ATOM 0 HG21 VAL A 19 9.043 6.012 -4.239 1.00 0.74 H new ATOM 0 HG22 VAL A 19 7.887 5.665 -2.930 1.00 0.74 H new ATOM 0 HG23 VAL A 19 9.628 5.775 -2.575 1.00 0.74 H new ATOM 266 N HIS A 20 10.068 1.208 -2.944 1.00 0.70 N ATOM 267 CA HIS A 20 10.244 -0.179 -3.293 1.00 0.81 C ATOM 268 C HIS A 20 10.163 -1.094 -2.065 1.00 0.70 C ATOM 269 O HIS A 20 9.801 -2.261 -2.203 1.00 0.71 O ATOM 270 CB HIS A 20 11.491 -0.322 -4.166 1.00 0.97 C ATOM 271 CG HIS A 20 12.829 0.084 -3.601 1.00 0.99 C ATOM 272 ND1 HIS A 20 13.867 0.592 -4.352 1.00 1.18 N ATOM 273 CD2 HIS A 20 13.322 -0.173 -2.349 1.00 0.94 C ATOM 274 CE1 HIS A 20 14.956 0.639 -3.567 1.00 1.22 C ATOM 275 NE2 HIS A 20 14.676 0.175 -2.340 1.00 1.09 N ATOM 0 H HIS A 20 10.906 1.781 -3.040 1.00 0.70 H new ATOM 0 HA HIS A 20 9.414 -0.532 -3.905 1.00 0.81 H new ATOM 0 HB2 HIS A 20 11.564 -1.367 -4.467 1.00 0.97 H new ATOM 0 HB3 HIS A 20 11.326 0.260 -5.073 1.00 0.97 H new ATOM 0 HD2 HIS A 20 12.763 -0.574 -1.516 1.00 0.94 H new ATOM 0 HE1 HIS A 20 15.924 1.001 -3.881 1.00 1.22 H new ATOM 0 HE2 HIS A 20 15.323 0.092 -1.556 1.00 1.09 H new ATOM 283 N LYS A 21 10.441 -0.569 -0.862 1.00 0.62 N ATOM 284 CA LYS A 21 10.234 -1.273 0.392 1.00 0.57 C ATOM 285 C LYS A 21 8.757 -1.632 0.463 1.00 0.50 C ATOM 286 O LYS A 21 8.417 -2.800 0.631 1.00 0.55 O ATOM 287 CB LYS A 21 10.633 -0.379 1.580 1.00 0.67 C ATOM 288 CG LYS A 21 11.508 -1.057 2.640 1.00 1.00 C ATOM 289 CD LYS A 21 11.623 -0.229 3.944 1.00 1.57 C ATOM 290 CE LYS A 21 11.763 1.272 3.642 1.00 2.87 C ATOM 291 NZ LYS A 21 11.989 2.149 4.810 1.00 3.71 N ATOM 0 H LYS A 21 10.821 0.370 -0.742 1.00 0.62 H new ATOM 0 HA LYS A 21 10.850 -2.171 0.440 1.00 0.57 H new ATOM 0 HB2 LYS A 21 11.164 0.492 1.197 1.00 0.67 H new ATOM 0 HB3 LYS A 21 9.725 -0.013 2.060 1.00 0.67 H new ATOM 0 HG2 LYS A 21 11.093 -2.038 2.873 1.00 1.00 H new ATOM 0 HG3 LYS A 21 12.505 -1.221 2.231 1.00 1.00 H new ATOM 0 HD2 LYS A 21 10.742 -0.397 4.563 1.00 1.57 H new ATOM 0 HD3 LYS A 21 12.485 -0.569 4.518 1.00 1.57 H new ATOM 0 HE2 LYS A 21 12.591 1.407 2.946 1.00 2.87 H new ATOM 0 HE3 LYS A 21 10.860 1.606 3.131 1.00 2.87 H new ATOM 0 HZ1 LYS A 21 11.866 3.142 4.527 1.00 3.71 H new ATOM 0 HZ2 LYS A 21 11.305 1.915 5.558 1.00 3.71 H new ATOM 0 HZ3 LYS A 21 12.955 2.008 5.168 1.00 3.71 H new ATOM 305 N ILE A 22 7.886 -0.626 0.311 1.00 0.45 N ATOM 306 CA ILE A 22 6.449 -0.847 0.330 1.00 0.45 C ATOM 307 C ILE A 22 6.084 -1.885 -0.727 1.00 0.51 C ATOM 308 O ILE A 22 5.531 -2.925 -0.381 1.00 0.58 O ATOM 309 CB ILE A 22 5.660 0.462 0.151 1.00 0.46 C ATOM 310 CG1 ILE A 22 6.206 1.564 1.071 1.00 0.43 C ATOM 311 CG2 ILE A 22 4.159 0.199 0.352 1.00 0.74 C ATOM 312 CD1 ILE A 22 5.177 2.588 1.541 1.00 0.67 C ATOM 0 H ILE A 22 8.160 0.347 0.174 1.00 0.45 H new ATOM 0 HA ILE A 22 6.167 -1.231 1.310 1.00 0.45 H new ATOM 0 HB ILE A 22 5.790 0.828 -0.867 1.00 0.46 H new ATOM 0 HG12 ILE A 22 6.654 1.095 1.947 1.00 0.43 H new ATOM 0 HG13 ILE A 22 7.005 2.089 0.547 1.00 0.43 H new ATOM 0 HG21 ILE A 22 3.606 1.130 0.224 1.00 0.74 H new ATOM 0 HG22 ILE A 22 3.816 -0.531 -0.382 1.00 0.74 H new ATOM 0 HG23 ILE A 22 3.989 -0.189 1.356 1.00 0.74 H new ATOM 0 HD11 ILE A 22 5.662 3.322 2.184 1.00 0.67 H new ATOM 0 HD12 ILE A 22 4.744 3.092 0.677 1.00 0.67 H new ATOM 0 HD13 ILE A 22 4.388 2.082 2.098 1.00 0.67 H new ATOM 324 N GLU A 23 6.393 -1.629 -2.002 1.00 0.56 N ATOM 325 CA GLU A 23 5.966 -2.525 -3.073 1.00 0.65 C ATOM 326 C GLU A 23 6.419 -3.963 -2.812 1.00 0.68 C ATOM 327 O GLU A 23 5.580 -4.864 -2.736 1.00 0.75 O ATOM 328 CB GLU A 23 6.428 -2.006 -4.439 1.00 0.77 C ATOM 329 CG GLU A 23 5.782 -0.643 -4.711 1.00 1.33 C ATOM 330 CD GLU A 23 5.970 -0.146 -6.134 1.00 1.55 C ATOM 331 OE1 GLU A 23 6.943 -0.592 -6.778 1.00 1.92 O ATOM 332 OE2 GLU A 23 5.123 0.680 -6.541 1.00 2.55 O ATOM 0 H GLU A 23 6.930 -0.819 -2.312 1.00 0.56 H new ATOM 0 HA GLU A 23 4.876 -2.540 -3.089 1.00 0.65 H new ATOM 0 HB2 GLU A 23 7.514 -1.916 -4.458 1.00 0.77 H new ATOM 0 HB3 GLU A 23 6.153 -2.714 -5.221 1.00 0.77 H new ATOM 0 HG2 GLU A 23 4.715 -0.708 -4.497 1.00 1.33 H new ATOM 0 HG3 GLU A 23 6.201 0.091 -4.022 1.00 1.33 H new ATOM 339 N SER A 24 7.731 -4.149 -2.637 1.00 0.67 N ATOM 340 CA SER A 24 8.351 -5.444 -2.385 1.00 0.68 C ATOM 341 C SER A 24 7.702 -6.124 -1.176 1.00 0.68 C ATOM 342 O SER A 24 7.336 -7.298 -1.225 1.00 0.80 O ATOM 343 CB SER A 24 9.860 -5.250 -2.181 1.00 0.73 C ATOM 344 OG SER A 24 10.521 -6.494 -2.072 1.00 1.67 O ATOM 0 H SER A 24 8.403 -3.382 -2.668 1.00 0.67 H new ATOM 0 HA SER A 24 8.198 -6.098 -3.244 1.00 0.68 H new ATOM 0 HB2 SER A 24 10.274 -4.686 -3.017 1.00 0.73 H new ATOM 0 HB3 SER A 24 10.036 -4.661 -1.281 1.00 0.73 H new ATOM 0 HG SER A 24 11.481 -6.344 -1.944 1.00 1.67 H new ATOM 350 N SER A 25 7.544 -5.376 -0.082 1.00 0.61 N ATOM 351 CA SER A 25 6.933 -5.886 1.130 1.00 0.68 C ATOM 352 C SER A 25 5.505 -6.357 0.853 1.00 0.64 C ATOM 353 O SER A 25 5.153 -7.477 1.207 1.00 0.68 O ATOM 354 CB SER A 25 6.997 -4.815 2.223 1.00 0.80 C ATOM 355 OG SER A 25 6.500 -5.317 3.451 1.00 1.18 O ATOM 0 H SER A 25 7.838 -4.401 -0.019 1.00 0.61 H new ATOM 0 HA SER A 25 7.485 -6.756 1.485 1.00 0.68 H new ATOM 0 HB2 SER A 25 8.027 -4.482 2.352 1.00 0.80 H new ATOM 0 HB3 SER A 25 6.416 -3.944 1.919 1.00 0.80 H new ATOM 0 HG SER A 25 6.251 -4.569 4.033 1.00 1.18 H new ATOM 361 N LEU A 26 4.671 -5.522 0.234 1.00 0.65 N ATOM 362 CA LEU A 26 3.271 -5.852 -0.002 1.00 0.74 C ATOM 363 C LEU A 26 3.117 -7.038 -0.941 1.00 0.79 C ATOM 364 O LEU A 26 2.177 -7.816 -0.771 1.00 0.89 O ATOM 365 CB LEU A 26 2.512 -4.652 -0.564 1.00 0.80 C ATOM 366 CG LEU A 26 1.883 -3.753 0.503 1.00 0.96 C ATOM 367 CD1 LEU A 26 0.732 -4.437 1.254 1.00 2.16 C ATOM 368 CD2 LEU A 26 2.884 -3.198 1.517 1.00 1.27 C ATOM 0 H LEU A 26 4.947 -4.604 -0.115 1.00 0.65 H new ATOM 0 HA LEU A 26 2.846 -6.124 0.964 1.00 0.74 H new ATOM 0 HB2 LEU A 26 3.194 -4.056 -1.170 1.00 0.80 H new ATOM 0 HB3 LEU A 26 1.727 -5.012 -1.229 1.00 0.80 H new ATOM 0 HG LEU A 26 1.487 -2.913 -0.068 1.00 0.96 H new ATOM 0 HD11 LEU A 26 0.325 -3.752 1.998 1.00 2.16 H new ATOM 0 HD12 LEU A 26 -0.051 -4.712 0.547 1.00 2.16 H new ATOM 0 HD13 LEU A 26 1.104 -5.333 1.751 1.00 2.16 H new ATOM 0 HD21 LEU A 26 2.361 -2.571 2.239 1.00 1.27 H new ATOM 0 HD22 LEU A 26 3.370 -4.023 2.038 1.00 1.27 H new ATOM 0 HD23 LEU A 26 3.636 -2.603 0.998 1.00 1.27 H new ATOM 380 N THR A 27 4.009 -7.192 -1.921 1.00 0.84 N ATOM 381 CA THR A 27 4.049 -8.411 -2.722 1.00 1.07 C ATOM 382 C THR A 27 4.451 -9.626 -1.856 1.00 1.38 C ATOM 383 O THR A 27 5.555 -10.147 -1.983 1.00 2.00 O ATOM 384 CB THR A 27 4.965 -8.240 -3.946 1.00 1.27 C ATOM 385 OG1 THR A 27 6.180 -7.619 -3.600 1.00 1.93 O ATOM 386 CG2 THR A 27 4.303 -7.373 -5.020 1.00 1.17 C ATOM 0 H THR A 27 4.707 -6.493 -2.176 1.00 0.84 H new ATOM 0 HA THR A 27 3.046 -8.605 -3.102 1.00 1.07 H new ATOM 0 HB THR A 27 5.150 -9.244 -4.327 1.00 1.27 H new ATOM 0 HG1 THR A 27 6.342 -7.729 -2.640 1.00 1.93 H new ATOM 0 HG21 THR A 27 4.976 -7.271 -5.871 1.00 1.17 H new ATOM 0 HG22 THR A 27 3.375 -7.842 -5.345 1.00 1.17 H new ATOM 0 HG23 THR A 27 4.087 -6.387 -4.609 1.00 1.17 H new ATOM 394 N LYS A 28 3.542 -10.079 -0.984 1.00 1.56 N ATOM 395 CA LYS A 28 3.700 -11.214 -0.075 1.00 1.78 C ATOM 396 C LYS A 28 2.360 -11.896 0.223 1.00 1.59 C ATOM 397 O LYS A 28 2.282 -13.119 0.260 1.00 1.56 O ATOM 398 CB LYS A 28 4.427 -10.803 1.224 1.00 2.28 C ATOM 399 CG LYS A 28 3.652 -9.880 2.188 1.00 3.15 C ATOM 400 CD LYS A 28 4.554 -9.504 3.383 1.00 3.60 C ATOM 401 CE LYS A 28 4.142 -8.230 4.147 1.00 4.51 C ATOM 402 NZ LYS A 28 2.819 -8.317 4.800 1.00 5.76 N ATOM 0 H LYS A 28 2.627 -9.637 -0.891 1.00 1.56 H new ATOM 0 HA LYS A 28 4.327 -11.946 -0.583 1.00 1.78 H new ATOM 0 HB2 LYS A 28 4.697 -11.710 1.765 1.00 2.28 H new ATOM 0 HB3 LYS A 28 5.358 -10.306 0.951 1.00 2.28 H new ATOM 0 HG2 LYS A 28 3.330 -8.979 1.665 1.00 3.15 H new ATOM 0 HG3 LYS A 28 2.752 -10.382 2.543 1.00 3.15 H new ATOM 0 HD2 LYS A 28 4.567 -10.339 4.083 1.00 3.60 H new ATOM 0 HD3 LYS A 28 5.574 -9.376 3.020 1.00 3.60 H new ATOM 0 HE2 LYS A 28 4.895 -8.015 4.905 1.00 4.51 H new ATOM 0 HE3 LYS A 28 4.138 -7.389 3.453 1.00 4.51 H new ATOM 0 HZ1 LYS A 28 2.680 -7.489 5.414 1.00 5.76 H new ATOM 0 HZ2 LYS A 28 2.074 -8.338 4.074 1.00 5.76 H new ATOM 0 HZ3 LYS A 28 2.770 -9.184 5.372 1.00 5.76 H new ATOM 416 N HIS A 29 1.311 -11.105 0.474 1.00 1.62 N ATOM 417 CA HIS A 29 0.040 -11.584 1.005 1.00 1.71 C ATOM 418 C HIS A 29 -0.615 -12.661 0.137 1.00 1.86 C ATOM 419 O HIS A 29 -1.152 -13.624 0.679 1.00 3.82 O ATOM 420 CB HIS A 29 -0.903 -10.393 1.178 1.00 1.99 C ATOM 421 CG HIS A 29 -0.486 -9.480 2.301 1.00 1.44 C ATOM 422 ND1 HIS A 29 -0.988 -9.502 3.584 1.00 2.46 N ATOM 423 CD2 HIS A 29 0.431 -8.468 2.227 1.00 1.23 C ATOM 424 CE1 HIS A 29 -0.385 -8.515 4.265 1.00 3.22 C ATOM 425 NE2 HIS A 29 0.516 -7.885 3.492 1.00 2.45 N ATOM 0 H HIS A 29 1.326 -10.098 0.310 1.00 1.62 H new ATOM 0 HA HIS A 29 0.243 -12.058 1.965 1.00 1.71 H new ATOM 0 HB2 HIS A 29 -0.939 -9.825 0.248 1.00 1.99 H new ATOM 0 HB3 HIS A 29 -1.912 -10.758 1.368 1.00 1.99 H new ATOM 0 HD1 HIS A 29 -1.688 -10.148 3.949 1.00 2.46 H new ATOM 0 HD2 HIS A 29 0.988 -8.174 1.350 1.00 1.23 H new ATOM 0 HE1 HIS A 29 -0.595 -8.262 5.294 1.00 3.22 H new ATOM 433 N ARG A 30 -0.600 -12.449 -1.185 1.00 1.22 N ATOM 434 CA ARG A 30 -1.160 -13.262 -2.267 1.00 1.27 C ATOM 435 C ARG A 30 -1.964 -12.336 -3.181 1.00 1.90 C ATOM 436 O ARG A 30 -1.449 -11.899 -4.204 1.00 3.61 O ATOM 437 CB ARG A 30 -1.982 -14.482 -1.800 1.00 1.62 C ATOM 438 CG ARG A 30 -2.525 -15.315 -2.975 1.00 2.89 C ATOM 439 CD ARG A 30 -4.018 -15.622 -2.812 1.00 3.83 C ATOM 440 NE ARG A 30 -4.290 -16.405 -1.593 1.00 4.38 N ATOM 441 CZ ARG A 30 -5.509 -16.865 -1.265 1.00 5.55 C ATOM 442 NH1 ARG A 30 -6.541 -16.594 -2.056 1.00 6.10 N ATOM 443 NH2 ARG A 30 -5.689 -17.586 -0.154 1.00 6.72 N ATOM 0 H ARG A 30 -0.147 -11.615 -1.560 1.00 1.22 H new ATOM 0 HA ARG A 30 -0.331 -13.716 -2.811 1.00 1.27 H new ATOM 0 HB2 ARG A 30 -1.359 -15.115 -1.168 1.00 1.62 H new ATOM 0 HB3 ARG A 30 -2.815 -14.140 -1.186 1.00 1.62 H new ATOM 0 HG2 ARG A 30 -2.365 -14.775 -3.908 1.00 2.89 H new ATOM 0 HG3 ARG A 30 -1.967 -16.249 -3.047 1.00 2.89 H new ATOM 0 HD2 ARG A 30 -4.579 -14.688 -2.776 1.00 3.83 H new ATOM 0 HD3 ARG A 30 -4.372 -16.173 -3.683 1.00 3.83 H new ATOM 0 HE ARG A 30 -3.512 -16.608 -0.966 1.00 4.38 H new ATOM 0 HH11 ARG A 30 -6.404 -16.042 -2.903 1.00 6.10 H new ATOM 0 HH12 ARG A 30 -7.471 -16.938 -1.817 1.00 6.10 H new ATOM 0 HH21 ARG A 30 -4.897 -17.792 0.454 1.00 6.72 H new ATOM 0 HH22 ARG A 30 -6.619 -17.930 0.085 1.00 6.72 H new ATOM 457 N GLY A 31 -3.212 -12.030 -2.814 1.00 1.09 N ATOM 458 CA GLY A 31 -4.165 -11.339 -3.675 1.00 1.64 C ATOM 459 C GLY A 31 -3.918 -9.834 -3.751 1.00 1.07 C ATOM 460 O GLY A 31 -4.821 -9.041 -3.496 1.00 0.78 O ATOM 0 H GLY A 31 -3.590 -12.261 -1.895 1.00 1.09 H new ATOM 0 HA2 GLY A 31 -4.112 -11.761 -4.678 1.00 1.64 H new ATOM 0 HA3 GLY A 31 -5.175 -11.518 -3.307 1.00 1.64 H new ATOM 464 N ILE A 32 -2.696 -9.433 -4.105 1.00 1.41 N ATOM 465 CA ILE A 32 -2.410 -8.137 -4.677 1.00 1.22 C ATOM 466 C ILE A 32 -2.184 -8.363 -6.160 1.00 1.39 C ATOM 467 O ILE A 32 -1.389 -9.220 -6.544 1.00 1.63 O ATOM 468 CB ILE A 32 -1.213 -7.493 -3.955 1.00 1.13 C ATOM 469 CG1 ILE A 32 -1.814 -6.435 -3.026 1.00 0.99 C ATOM 470 CG2 ILE A 32 -0.167 -6.859 -4.885 1.00 1.70 C ATOM 471 CD1 ILE A 32 -0.771 -5.884 -2.064 1.00 1.85 C ATOM 0 H ILE A 32 -1.868 -10.019 -3.996 1.00 1.41 H new ATOM 0 HA ILE A 32 -3.231 -7.431 -4.550 1.00 1.22 H new ATOM 0 HB ILE A 32 -0.659 -8.268 -3.426 1.00 1.13 H new ATOM 0 HG12 ILE A 32 -2.230 -5.621 -3.620 1.00 0.99 H new ATOM 0 HG13 ILE A 32 -2.638 -6.870 -2.461 1.00 0.99 H new ATOM 0 HG21 ILE A 32 0.638 -6.431 -4.288 1.00 1.70 H new ATOM 0 HG22 ILE A 32 0.239 -7.622 -5.549 1.00 1.70 H new ATOM 0 HG23 ILE A 32 -0.636 -6.074 -5.478 1.00 1.70 H new ATOM 0 HD11 ILE A 32 -1.231 -5.135 -1.419 1.00 1.85 H new ATOM 0 HD12 ILE A 32 -0.375 -6.695 -1.453 1.00 1.85 H new ATOM 0 HD13 ILE A 32 0.040 -5.426 -2.630 1.00 1.85 H new ATOM 483 N LEU A 33 -2.877 -7.584 -6.984 1.00 1.34 N ATOM 484 CA LEU A 33 -2.656 -7.567 -8.410 1.00 1.54 C ATOM 485 C LEU A 33 -1.522 -6.599 -8.726 1.00 1.35 C ATOM 486 O LEU A 33 -0.645 -6.926 -9.521 1.00 1.42 O ATOM 487 CB LEU A 33 -3.944 -7.187 -9.148 1.00 1.81 C ATOM 488 CG LEU A 33 -5.133 -8.110 -8.831 1.00 1.47 C ATOM 489 CD1 LEU A 33 -6.325 -7.664 -9.681 1.00 2.16 C ATOM 490 CD2 LEU A 33 -4.831 -9.583 -9.123 1.00 1.97 C ATOM 0 H LEU A 33 -3.609 -6.947 -6.671 1.00 1.34 H new ATOM 0 HA LEU A 33 -2.371 -8.562 -8.752 1.00 1.54 H new ATOM 0 HB2 LEU A 33 -4.212 -6.162 -8.890 1.00 1.81 H new ATOM 0 HB3 LEU A 33 -3.756 -7.206 -10.222 1.00 1.81 H new ATOM 0 HG LEU A 33 -5.347 -8.031 -7.765 1.00 1.47 H new ATOM 0 HD11 LEU A 33 -7.181 -8.306 -9.472 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -6.578 -6.632 -9.440 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -6.066 -7.737 -10.737 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -5.705 -10.188 -8.881 1.00 1.97 H new ATOM 0 HD22 LEU A 33 -4.588 -9.702 -10.179 1.00 1.97 H new ATOM 0 HD23 LEU A 33 -3.985 -9.908 -8.517 1.00 1.97 H new ATOM 502 N TYR A 34 -1.530 -5.403 -8.119 1.00 1.17 N ATOM 503 CA TYR A 34 -0.494 -4.419 -8.388 1.00 1.14 C ATOM 504 C TYR A 34 -0.351 -3.443 -7.217 1.00 0.92 C ATOM 505 O TYR A 34 -1.301 -2.740 -6.869 1.00 1.33 O ATOM 506 CB TYR A 34 -0.803 -3.707 -9.714 1.00 1.31 C ATOM 507 CG TYR A 34 0.207 -2.662 -10.148 1.00 1.39 C ATOM 508 CD1 TYR A 34 1.578 -2.976 -10.218 1.00 1.68 C ATOM 509 CD2 TYR A 34 -0.230 -1.378 -10.517 1.00 2.47 C ATOM 510 CE1 TYR A 34 2.517 -1.961 -10.476 1.00 1.89 C ATOM 511 CE2 TYR A 34 0.706 -0.381 -10.833 1.00 2.56 C ATOM 512 CZ TYR A 34 2.077 -0.642 -10.676 1.00 1.78 C ATOM 513 OH TYR A 34 2.949 0.404 -10.595 1.00 2.19 O ATOM 0 H TYR A 34 -2.237 -5.104 -7.448 1.00 1.17 H new ATOM 0 HA TYR A 34 0.470 -4.917 -8.490 1.00 1.14 H new ATOM 0 HB2 TYR A 34 -0.882 -4.459 -10.499 1.00 1.31 H new ATOM 0 HB3 TYR A 34 -1.779 -3.230 -9.631 1.00 1.31 H new ATOM 0 HD1 TYR A 34 1.908 -3.994 -10.074 1.00 1.68 H new ATOM 0 HD2 TYR A 34 -1.287 -1.158 -10.557 1.00 2.47 H new ATOM 0 HE1 TYR A 34 3.571 -2.194 -10.520 1.00 1.89 H new ATOM 0 HE2 TYR A 34 0.374 0.581 -11.195 1.00 2.56 H new ATOM 0 HH TYR A 34 2.852 0.973 -11.387 1.00 2.19 H new ATOM 523 N CYS A 35 0.846 -3.398 -6.627 1.00 0.54 N ATOM 524 CA CYS A 35 1.275 -2.326 -5.738 1.00 0.49 C ATOM 525 C CYS A 35 1.703 -1.171 -6.634 1.00 0.61 C ATOM 526 O CYS A 35 2.403 -1.419 -7.610 1.00 0.95 O ATOM 527 CB CYS A 35 2.512 -2.738 -4.923 1.00 0.80 C ATOM 528 SG CYS A 35 2.305 -4.271 -4.013 1.00 2.90 S ATOM 0 H CYS A 35 1.554 -4.121 -6.759 1.00 0.54 H new ATOM 0 HA CYS A 35 0.465 -2.075 -5.054 1.00 0.49 H new ATOM 0 HB2 CYS A 35 3.362 -2.839 -5.597 1.00 0.80 H new ATOM 0 HB3 CYS A 35 2.755 -1.940 -4.221 1.00 0.80 H new ATOM 0 HG CYS A 35 3.435 -4.607 -3.466 1.00 2.90 H new ATOM 534 N SER A 36 1.316 0.068 -6.332 1.00 0.66 N ATOM 535 CA SER A 36 1.814 1.221 -7.069 1.00 0.97 C ATOM 536 C SER A 36 2.068 2.357 -6.086 1.00 0.65 C ATOM 537 O SER A 36 1.134 3.058 -5.690 1.00 0.77 O ATOM 538 CB SER A 36 0.792 1.612 -8.137 1.00 1.79 C ATOM 539 OG SER A 36 1.394 2.318 -9.206 1.00 2.31 O ATOM 0 H SER A 36 0.661 0.295 -5.584 1.00 0.66 H new ATOM 0 HA SER A 36 2.752 0.988 -7.573 1.00 0.97 H new ATOM 0 HB2 SER A 36 0.306 0.715 -8.521 1.00 1.79 H new ATOM 0 HB3 SER A 36 0.013 2.228 -7.687 1.00 1.79 H new ATOM 0 HG SER A 36 1.874 1.689 -9.784 1.00 2.31 H new ATOM 545 N VAL A 37 3.316 2.504 -5.647 1.00 0.52 N ATOM 546 CA VAL A 37 3.713 3.427 -4.605 1.00 0.46 C ATOM 547 C VAL A 37 4.447 4.612 -5.235 1.00 0.51 C ATOM 548 O VAL A 37 5.286 4.429 -6.115 1.00 0.74 O ATOM 549 CB VAL A 37 4.551 2.637 -3.588 1.00 0.82 C ATOM 550 CG1 VAL A 37 4.959 3.502 -2.397 1.00 1.91 C ATOM 551 CG2 VAL A 37 3.768 1.433 -3.042 1.00 2.62 C ATOM 0 H VAL A 37 4.096 1.965 -6.022 1.00 0.52 H new ATOM 0 HA VAL A 37 2.863 3.854 -4.073 1.00 0.46 H new ATOM 0 HB VAL A 37 5.440 2.302 -4.122 1.00 0.82 H new ATOM 0 HG11 VAL A 37 5.550 2.907 -1.701 1.00 1.91 H new ATOM 0 HG12 VAL A 37 5.552 4.347 -2.747 1.00 1.91 H new ATOM 0 HG13 VAL A 37 4.066 3.870 -1.892 1.00 1.91 H new ATOM 0 HG21 VAL A 37 4.385 0.892 -2.325 1.00 2.62 H new ATOM 0 HG22 VAL A 37 2.861 1.782 -2.549 1.00 2.62 H new ATOM 0 HG23 VAL A 37 3.502 0.769 -3.864 1.00 2.62 H new ATOM 561 N ALA A 38 4.128 5.838 -4.804 1.00 0.56 N ATOM 562 CA ALA A 38 4.790 7.044 -5.280 1.00 0.62 C ATOM 563 C ALA A 38 4.921 8.076 -4.167 1.00 0.64 C ATOM 564 O ALA A 38 3.964 8.366 -3.447 1.00 0.64 O ATOM 565 CB ALA A 38 4.033 7.662 -6.451 1.00 0.67 C ATOM 0 H ALA A 38 3.400 6.015 -4.112 1.00 0.56 H new ATOM 0 HA ALA A 38 5.786 6.751 -5.614 1.00 0.62 H new ATOM 0 HB1 ALA A 38 4.551 8.561 -6.785 1.00 0.67 H new ATOM 0 HB2 ALA A 38 3.984 6.946 -7.271 1.00 0.67 H new ATOM 0 HB3 ALA A 38 3.023 7.922 -6.135 1.00 0.67 H new ATOM 571 N LEU A 39 6.115 8.662 -4.068 1.00 0.67 N ATOM 572 CA LEU A 39 6.438 9.693 -3.091 1.00 0.67 C ATOM 573 C LEU A 39 5.843 11.043 -3.488 1.00 0.63 C ATOM 574 O LEU A 39 5.539 11.852 -2.618 1.00 0.62 O ATOM 575 CB LEU A 39 7.951 9.733 -2.825 1.00 0.93 C ATOM 576 CG LEU A 39 8.814 10.189 -4.015 1.00 0.90 C ATOM 577 CD1 LEU A 39 9.074 11.700 -3.972 1.00 1.87 C ATOM 578 CD2 LEU A 39 10.165 9.467 -3.964 1.00 1.52 C ATOM 0 H LEU A 39 6.897 8.426 -4.678 1.00 0.67 H new ATOM 0 HA LEU A 39 5.969 9.440 -2.140 1.00 0.67 H new ATOM 0 HB2 LEU A 39 8.138 10.401 -1.984 1.00 0.93 H new ATOM 0 HB3 LEU A 39 8.277 8.738 -2.521 1.00 0.93 H new ATOM 0 HG LEU A 39 8.275 9.950 -4.932 1.00 0.90 H new ATOM 0 HD11 LEU A 39 9.686 11.988 -4.826 1.00 1.87 H new ATOM 0 HD12 LEU A 39 8.124 12.234 -4.009 1.00 1.87 H new ATOM 0 HD13 LEU A 39 9.596 11.953 -3.049 1.00 1.87 H new ATOM 0 HD21 LEU A 39 10.780 9.787 -4.805 1.00 1.52 H new ATOM 0 HD22 LEU A 39 10.672 9.710 -3.030 1.00 1.52 H new ATOM 0 HD23 LEU A 39 10.005 8.390 -4.020 1.00 1.52 H new ATOM 590 N ALA A 40 5.627 11.269 -4.789 1.00 0.73 N ATOM 591 CA ALA A 40 5.144 12.533 -5.338 1.00 0.85 C ATOM 592 C ALA A 40 3.885 13.035 -4.625 1.00 0.73 C ATOM 593 O ALA A 40 3.717 14.236 -4.437 1.00 0.87 O ATOM 594 CB ALA A 40 4.887 12.371 -6.838 1.00 1.07 C ATOM 0 H ALA A 40 5.788 10.559 -5.503 1.00 0.73 H new ATOM 0 HA ALA A 40 5.915 13.286 -5.176 1.00 0.85 H new ATOM 0 HB1 ALA A 40 4.526 13.314 -7.249 1.00 1.07 H new ATOM 0 HB2 ALA A 40 5.814 12.088 -7.337 1.00 1.07 H new ATOM 0 HB3 ALA A 40 4.138 11.596 -6.997 1.00 1.07 H new ATOM 600 N THR A 41 3.001 12.110 -4.238 1.00 0.62 N ATOM 601 CA THR A 41 1.846 12.403 -3.397 1.00 0.65 C ATOM 602 C THR A 41 1.784 11.424 -2.215 1.00 0.55 C ATOM 603 O THR A 41 0.707 11.087 -1.730 1.00 0.77 O ATOM 604 CB THR A 41 0.578 12.381 -4.259 1.00 0.96 C ATOM 605 OG1 THR A 41 0.593 11.294 -5.167 1.00 2.18 O ATOM 606 CG2 THR A 41 0.431 13.676 -5.064 1.00 2.40 C ATOM 0 H THR A 41 3.072 11.128 -4.505 1.00 0.62 H new ATOM 0 HA THR A 41 1.934 13.400 -2.965 1.00 0.65 H new ATOM 0 HB THR A 41 -0.263 12.276 -3.574 1.00 0.96 H new ATOM 0 HG1 THR A 41 -0.228 11.304 -5.702 1.00 2.18 H new ATOM 0 HG21 THR A 41 -0.477 13.630 -5.665 1.00 2.40 H new ATOM 0 HG22 THR A 41 0.372 14.524 -4.382 1.00 2.40 H new ATOM 0 HG23 THR A 41 1.294 13.797 -5.719 1.00 2.40 H new ATOM 614 N ASN A 42 2.964 10.986 -1.764 1.00 0.53 N ATOM 615 CA ASN A 42 3.218 10.080 -0.645 1.00 0.54 C ATOM 616 C ASN A 42 2.120 9.024 -0.488 1.00 0.57 C ATOM 617 O ASN A 42 1.534 8.897 0.587 1.00 0.64 O ATOM 618 CB ASN A 42 3.444 10.866 0.659 1.00 0.62 C ATOM 619 CG ASN A 42 4.503 11.958 0.521 1.00 0.90 C ATOM 620 OD1 ASN A 42 4.182 13.075 0.130 1.00 1.88 O ATOM 621 ND2 ASN A 42 5.764 11.680 0.847 1.00 1.36 N ATOM 0 H ASN A 42 3.833 11.281 -2.209 1.00 0.53 H new ATOM 0 HA ASN A 42 4.135 9.537 -0.872 1.00 0.54 H new ATOM 0 HB2 ASN A 42 2.503 11.318 0.972 1.00 0.62 H new ATOM 0 HB3 ASN A 42 3.743 10.174 1.446 1.00 0.62 H new ATOM 0 HD21 ASN A 42 6.481 12.402 0.773 1.00 1.36 H new ATOM 0 HD22 ASN A 42 6.013 10.745 1.170 1.00 1.36 H new ATOM 628 N LYS A 43 1.833 8.263 -1.551 1.00 0.62 N ATOM 629 CA LYS A 43 0.712 7.334 -1.569 1.00 0.70 C ATOM 630 C LYS A 43 1.112 5.974 -2.117 1.00 0.61 C ATOM 631 O LYS A 43 2.068 5.865 -2.883 1.00 0.74 O ATOM 632 CB LYS A 43 -0.482 7.901 -2.350 1.00 0.91 C ATOM 633 CG LYS A 43 -0.162 8.198 -3.822 1.00 1.59 C ATOM 634 CD LYS A 43 -1.418 8.136 -4.703 1.00 1.40 C ATOM 635 CE LYS A 43 -2.484 9.149 -4.258 1.00 1.70 C ATOM 636 NZ LYS A 43 -3.693 9.093 -5.107 1.00 2.07 N ATOM 0 H LYS A 43 2.373 8.278 -2.416 1.00 0.62 H new ATOM 0 HA LYS A 43 0.403 7.198 -0.533 1.00 0.70 H new ATOM 0 HB2 LYS A 43 -1.308 7.192 -2.301 1.00 0.91 H new ATOM 0 HB3 LYS A 43 -0.820 8.818 -1.867 1.00 0.91 H new ATOM 0 HG2 LYS A 43 0.290 9.186 -3.903 1.00 1.59 H new ATOM 0 HG3 LYS A 43 0.573 7.480 -4.186 1.00 1.59 H new ATOM 0 HD2 LYS A 43 -1.144 8.331 -5.740 1.00 1.40 H new ATOM 0 HD3 LYS A 43 -1.836 7.130 -4.667 1.00 1.40 H new ATOM 0 HE2 LYS A 43 -2.760 8.953 -3.222 1.00 1.70 H new ATOM 0 HE3 LYS A 43 -2.064 10.154 -4.291 1.00 1.70 H new ATOM 0 HZ1 LYS A 43 -4.386 9.793 -4.771 1.00 2.07 H new ATOM 0 HZ2 LYS A 43 -3.436 9.306 -6.092 1.00 2.07 H new ATOM 0 HZ3 LYS A 43 -4.109 8.141 -5.056 1.00 2.07 H new ATOM 650 N ALA A 44 0.330 4.962 -1.748 1.00 0.48 N ATOM 651 CA ALA A 44 0.272 3.685 -2.425 1.00 0.41 C ATOM 652 C ALA A 44 -1.141 3.560 -2.968 1.00 0.51 C ATOM 653 O ALA A 44 -2.079 3.721 -2.185 1.00 0.65 O ATOM 654 CB ALA A 44 0.596 2.563 -1.434 1.00 0.50 C ATOM 0 H ALA A 44 -0.296 5.018 -0.945 1.00 0.48 H new ATOM 0 HA ALA A 44 0.998 3.612 -3.235 1.00 0.41 H new ATOM 0 HB1 ALA A 44 0.552 1.602 -1.946 1.00 0.50 H new ATOM 0 HB2 ALA A 44 1.597 2.713 -1.029 1.00 0.50 H new ATOM 0 HB3 ALA A 44 -0.130 2.575 -0.621 1.00 0.50 H new ATOM 660 N HIS A 45 -1.312 3.283 -4.270 1.00 0.62 N ATOM 661 CA HIS A 45 -2.524 2.631 -4.699 1.00 0.71 C ATOM 662 C HIS A 45 -2.175 1.156 -4.673 1.00 0.61 C ATOM 663 O HIS A 45 -1.125 0.763 -5.187 1.00 0.74 O ATOM 664 CB HIS A 45 -3.082 3.166 -6.027 1.00 1.21 C ATOM 665 CG HIS A 45 -2.599 2.553 -7.316 1.00 0.89 C ATOM 666 ND1 HIS A 45 -2.234 3.266 -8.435 1.00 1.56 N ATOM 667 CD2 HIS A 45 -2.761 1.245 -7.698 1.00 1.14 C ATOM 668 CE1 HIS A 45 -2.144 2.402 -9.458 1.00 2.31 C ATOM 669 NE2 HIS A 45 -2.471 1.156 -9.067 1.00 2.07 N ATOM 0 H HIS A 45 -0.643 3.498 -5.009 1.00 0.62 H new ATOM 0 HA HIS A 45 -3.369 2.837 -4.043 1.00 0.71 H new ATOM 0 HB2 HIS A 45 -4.166 3.059 -5.996 1.00 1.21 H new ATOM 0 HB3 HIS A 45 -2.868 4.234 -6.069 1.00 1.21 H new ATOM 0 HD1 HIS A 45 -2.063 4.271 -8.479 1.00 1.56 H new ATOM 0 HD2 HIS A 45 -3.059 0.428 -7.057 1.00 1.14 H new ATOM 0 HE1 HIS A 45 -1.849 2.671 -10.461 1.00 2.31 H new ATOM 677 N ILE A 46 -3.011 0.361 -4.024 1.00 0.53 N ATOM 678 CA ILE A 46 -2.844 -1.074 -3.981 1.00 0.50 C ATOM 679 C ILE A 46 -4.089 -1.640 -4.638 1.00 0.57 C ATOM 680 O ILE A 46 -5.194 -1.375 -4.168 1.00 0.69 O ATOM 681 CB ILE A 46 -2.636 -1.537 -2.532 1.00 0.47 C ATOM 682 CG1 ILE A 46 -1.332 -0.919 -1.997 1.00 0.70 C ATOM 683 CG2 ILE A 46 -2.528 -3.062 -2.493 1.00 0.85 C ATOM 684 CD1 ILE A 46 -1.024 -1.324 -0.556 1.00 1.45 C ATOM 0 H ILE A 46 -3.826 0.699 -3.512 1.00 0.53 H new ATOM 0 HA ILE A 46 -1.960 -1.426 -4.512 1.00 0.50 H new ATOM 0 HB ILE A 46 -3.479 -1.220 -1.917 1.00 0.47 H new ATOM 0 HG12 ILE A 46 -0.504 -1.221 -2.638 1.00 0.70 H new ATOM 0 HG13 ILE A 46 -1.401 0.167 -2.056 1.00 0.70 H new ATOM 0 HG21 ILE A 46 -2.380 -3.390 -1.464 1.00 0.85 H new ATOM 0 HG22 ILE A 46 -3.445 -3.502 -2.886 1.00 0.85 H new ATOM 0 HG23 ILE A 46 -1.682 -3.383 -3.101 1.00 0.85 H new ATOM 0 HD11 ILE A 46 -0.093 -0.856 -0.238 1.00 1.45 H new ATOM 0 HD12 ILE A 46 -1.835 -0.998 0.095 1.00 1.45 H new ATOM 0 HD13 ILE A 46 -0.924 -2.408 -0.496 1.00 1.45 H new ATOM 696 N LYS A 47 -3.894 -2.358 -5.745 1.00 0.78 N ATOM 697 CA LYS A 47 -4.931 -3.083 -6.445 1.00 0.86 C ATOM 698 C LYS A 47 -4.966 -4.476 -5.838 1.00 0.87 C ATOM 699 O LYS A 47 -4.030 -5.244 -6.073 1.00 0.92 O ATOM 700 CB LYS A 47 -4.565 -3.127 -7.930 1.00 0.92 C ATOM 701 CG LYS A 47 -4.501 -1.716 -8.536 1.00 1.02 C ATOM 702 CD LYS A 47 -5.233 -1.773 -9.888 1.00 1.39 C ATOM 703 CE LYS A 47 -5.312 -0.426 -10.614 1.00 2.09 C ATOM 704 NZ LYS A 47 -3.984 0.057 -11.037 1.00 3.37 N ATOM 0 H LYS A 47 -2.978 -2.448 -6.185 1.00 0.78 H new ATOM 0 HA LYS A 47 -5.912 -2.616 -6.353 1.00 0.86 H new ATOM 0 HB2 LYS A 47 -3.602 -3.621 -8.054 1.00 0.92 H new ATOM 0 HB3 LYS A 47 -5.301 -3.723 -8.470 1.00 0.92 H new ATOM 0 HG2 LYS A 47 -4.972 -0.990 -7.873 1.00 1.02 H new ATOM 0 HG3 LYS A 47 -3.466 -1.401 -8.671 1.00 1.02 H new ATOM 0 HD2 LYS A 47 -4.727 -2.492 -10.533 1.00 1.39 H new ATOM 0 HD3 LYS A 47 -6.244 -2.146 -9.726 1.00 1.39 H new ATOM 0 HE2 LYS A 47 -5.957 -0.523 -11.488 1.00 2.09 H new ATOM 0 HE3 LYS A 47 -5.773 0.312 -9.958 1.00 2.09 H new ATOM 0 HZ1 LYS A 47 -4.094 0.917 -11.611 1.00 3.37 H new ATOM 0 HZ2 LYS A 47 -3.409 0.272 -10.197 1.00 3.37 H new ATOM 0 HZ3 LYS A 47 -3.511 -0.677 -11.601 1.00 3.37 H new ATOM 718 N TYR A 48 -5.974 -4.770 -5.009 1.00 1.01 N ATOM 719 CA TYR A 48 -6.016 -6.004 -4.237 1.00 0.92 C ATOM 720 C TYR A 48 -7.365 -6.703 -4.341 1.00 0.89 C ATOM 721 O TYR A 48 -8.391 -6.057 -4.526 1.00 1.06 O ATOM 722 CB TYR A 48 -5.635 -5.717 -2.783 1.00 0.90 C ATOM 723 CG TYR A 48 -6.631 -4.901 -1.975 1.00 0.90 C ATOM 724 CD1 TYR A 48 -7.730 -5.533 -1.359 1.00 1.70 C ATOM 725 CD2 TYR A 48 -6.363 -3.550 -1.693 1.00 2.23 C ATOM 726 CE1 TYR A 48 -8.498 -4.844 -0.404 1.00 1.79 C ATOM 727 CE2 TYR A 48 -7.115 -2.871 -0.719 1.00 2.33 C ATOM 728 CZ TYR A 48 -8.174 -3.522 -0.068 1.00 1.27 C ATOM 729 OH TYR A 48 -8.863 -2.883 0.920 1.00 1.61 O ATOM 0 H TYR A 48 -6.777 -4.159 -4.859 1.00 1.01 H new ATOM 0 HA TYR A 48 -5.286 -6.695 -4.659 1.00 0.92 H new ATOM 0 HB2 TYR A 48 -5.481 -6.669 -2.275 1.00 0.90 H new ATOM 0 HB3 TYR A 48 -4.679 -5.194 -2.777 1.00 0.90 H new ATOM 0 HD1 TYR A 48 -7.983 -6.550 -1.621 1.00 1.70 H new ATOM 0 HD2 TYR A 48 -5.578 -3.033 -2.226 1.00 2.23 H new ATOM 0 HE1 TYR A 48 -9.336 -5.332 0.070 1.00 1.79 H new ATOM 0 HE2 TYR A 48 -6.878 -1.847 -0.471 1.00 2.33 H new ATOM 0 HH TYR A 48 -8.513 -1.974 1.028 1.00 1.61 H new ATOM 739 N ASP A 49 -7.347 -8.027 -4.196 1.00 0.78 N ATOM 740 CA ASP A 49 -8.509 -8.893 -4.288 1.00 0.78 C ATOM 741 C ASP A 49 -9.111 -9.044 -2.889 1.00 0.58 C ATOM 742 O ASP A 49 -8.487 -9.676 -2.032 1.00 0.66 O ATOM 743 CB ASP A 49 -8.074 -10.261 -4.828 1.00 1.02 C ATOM 744 CG ASP A 49 -7.391 -10.135 -6.180 1.00 2.02 C ATOM 745 OD1 ASP A 49 -8.116 -9.801 -7.146 1.00 3.08 O ATOM 746 OD2 ASP A 49 -6.158 -10.338 -6.217 1.00 2.68 O ATOM 0 H ASP A 49 -6.487 -8.540 -4.004 1.00 0.78 H new ATOM 0 HA ASP A 49 -9.253 -8.468 -4.962 1.00 0.78 H new ATOM 0 HB2 ASP A 49 -7.395 -10.734 -4.119 1.00 1.02 H new ATOM 0 HB3 ASP A 49 -8.944 -10.911 -4.918 1.00 1.02 H new ATOM 751 N PRO A 50 -10.316 -8.520 -2.615 1.00 0.81 N ATOM 752 CA PRO A 50 -10.896 -8.549 -1.278 1.00 1.11 C ATOM 753 C PRO A 50 -11.482 -9.928 -0.927 1.00 1.18 C ATOM 754 O PRO A 50 -12.544 -10.011 -0.312 1.00 1.63 O ATOM 755 CB PRO A 50 -11.949 -7.434 -1.299 1.00 1.55 C ATOM 756 CG PRO A 50 -12.444 -7.469 -2.745 1.00 1.52 C ATOM 757 CD PRO A 50 -11.164 -7.766 -3.526 1.00 1.18 C ATOM 0 HA PRO A 50 -10.153 -8.383 -0.498 1.00 1.11 H new ATOM 0 HB2 PRO A 50 -12.755 -7.624 -0.590 1.00 1.55 H new ATOM 0 HB3 PRO A 50 -11.519 -6.466 -1.041 1.00 1.55 H new ATOM 0 HG2 PRO A 50 -13.200 -8.240 -2.897 1.00 1.52 H new ATOM 0 HG3 PRO A 50 -12.891 -6.521 -3.044 1.00 1.52 H new ATOM 0 HD2 PRO A 50 -11.379 -8.340 -4.427 1.00 1.18 H new ATOM 0 HD3 PRO A 50 -10.676 -6.845 -3.844 1.00 1.18 H new ATOM 765 N GLU A 51 -10.790 -11.014 -1.287 1.00 1.18 N ATOM 766 CA GLU A 51 -11.108 -12.365 -0.851 1.00 1.46 C ATOM 767 C GLU A 51 -10.434 -12.661 0.491 1.00 1.15 C ATOM 768 O GLU A 51 -11.009 -13.344 1.337 1.00 1.72 O ATOM 769 CB GLU A 51 -10.694 -13.389 -1.922 1.00 2.02 C ATOM 770 CG GLU A 51 -9.263 -13.203 -2.476 1.00 3.07 C ATOM 771 CD GLU A 51 -8.447 -14.487 -2.589 1.00 4.45 C ATOM 772 OE1 GLU A 51 -8.869 -15.539 -2.054 1.00 5.24 O ATOM 773 OE2 GLU A 51 -7.328 -14.413 -3.149 1.00 5.46 O ATOM 0 H GLU A 51 -9.978 -10.970 -1.902 1.00 1.18 H new ATOM 0 HA GLU A 51 -12.186 -12.446 -0.713 1.00 1.46 H new ATOM 0 HB2 GLU A 51 -10.778 -14.390 -1.499 1.00 2.02 H new ATOM 0 HB3 GLU A 51 -11.400 -13.333 -2.751 1.00 2.02 H new ATOM 0 HG2 GLU A 51 -9.328 -12.743 -3.462 1.00 3.07 H new ATOM 0 HG3 GLU A 51 -8.728 -12.505 -1.833 1.00 3.07 H new ATOM 780 N ILE A 52 -9.206 -12.164 0.669 1.00 0.91 N ATOM 781 CA ILE A 52 -8.363 -12.433 1.825 1.00 1.08 C ATOM 782 C ILE A 52 -7.775 -11.142 2.381 1.00 1.09 C ATOM 783 O ILE A 52 -7.931 -10.855 3.564 1.00 1.51 O ATOM 784 CB ILE A 52 -7.297 -13.499 1.495 1.00 1.37 C ATOM 785 CG1 ILE A 52 -6.385 -13.179 0.292 1.00 1.23 C ATOM 786 CG2 ILE A 52 -7.969 -14.863 1.299 1.00 2.07 C ATOM 787 CD1 ILE A 52 -4.973 -12.805 0.758 1.00 2.06 C ATOM 0 H ILE A 52 -8.763 -11.546 -0.011 1.00 0.91 H new ATOM 0 HA ILE A 52 -8.978 -12.855 2.620 1.00 1.08 H new ATOM 0 HB ILE A 52 -6.629 -13.509 2.356 1.00 1.37 H new ATOM 0 HG12 ILE A 52 -6.336 -14.042 -0.372 1.00 1.23 H new ATOM 0 HG13 ILE A 52 -6.811 -12.358 -0.284 1.00 1.23 H new ATOM 0 HG21 ILE A 52 -7.212 -15.612 1.066 1.00 2.07 H new ATOM 0 HG22 ILE A 52 -8.490 -15.146 2.213 1.00 2.07 H new ATOM 0 HG23 ILE A 52 -8.683 -14.802 0.478 1.00 2.07 H new ATOM 0 HD11 ILE A 52 -4.350 -12.584 -0.109 1.00 2.06 H new ATOM 0 HD12 ILE A 52 -5.023 -11.927 1.402 1.00 2.06 H new ATOM 0 HD13 ILE A 52 -4.540 -13.638 1.313 1.00 2.06 H new ATOM 799 N ILE A 53 -7.101 -10.362 1.539 1.00 1.04 N ATOM 800 CA ILE A 53 -6.450 -9.143 1.976 1.00 1.11 C ATOM 801 C ILE A 53 -7.499 -8.042 2.132 1.00 0.86 C ATOM 802 O ILE A 53 -8.226 -7.738 1.189 1.00 0.98 O ATOM 803 CB ILE A 53 -5.304 -8.789 1.014 1.00 1.23 C ATOM 804 CG1 ILE A 53 -4.577 -7.507 1.454 1.00 1.72 C ATOM 805 CG2 ILE A 53 -5.700 -8.670 -0.457 1.00 1.01 C ATOM 806 CD1 ILE A 53 -3.185 -7.892 1.925 1.00 1.68 C ATOM 0 H ILE A 53 -6.995 -10.560 0.544 1.00 1.04 H new ATOM 0 HA ILE A 53 -5.988 -9.273 2.954 1.00 1.11 H new ATOM 0 HB ILE A 53 -4.634 -9.647 1.078 1.00 1.23 H new ATOM 0 HG12 ILE A 53 -4.517 -6.800 0.626 1.00 1.72 H new ATOM 0 HG13 ILE A 53 -5.127 -7.013 2.255 1.00 1.72 H new ATOM 0 HG21 ILE A 53 -4.822 -8.418 -1.051 1.00 1.01 H new ATOM 0 HG22 ILE A 53 -6.111 -9.619 -0.801 1.00 1.01 H new ATOM 0 HG23 ILE A 53 -6.451 -7.888 -0.570 1.00 1.01 H new ATOM 0 HD11 ILE A 53 -2.648 -6.998 2.243 1.00 1.68 H new ATOM 0 HD12 ILE A 53 -3.263 -8.585 2.762 1.00 1.68 H new ATOM 0 HD13 ILE A 53 -2.643 -8.369 1.108 1.00 1.68 H new ATOM 818 N GLY A 54 -7.580 -7.449 3.323 1.00 0.64 N ATOM 819 CA GLY A 54 -8.374 -6.264 3.578 1.00 0.62 C ATOM 820 C GLY A 54 -7.451 -5.061 3.770 1.00 0.58 C ATOM 821 O GLY A 54 -6.228 -5.175 3.662 1.00 0.65 O ATOM 0 H GLY A 54 -7.084 -7.790 4.147 1.00 0.64 H new ATOM 0 HA2 GLY A 54 -9.055 -6.084 2.746 1.00 0.62 H new ATOM 0 HA3 GLY A 54 -8.988 -6.410 4.467 1.00 0.62 H new ATOM 825 N PRO A 55 -8.014 -3.892 4.109 1.00 0.60 N ATOM 826 CA PRO A 55 -7.217 -2.746 4.507 1.00 0.66 C ATOM 827 C PRO A 55 -6.375 -3.097 5.739 1.00 0.67 C ATOM 828 O PRO A 55 -5.239 -2.660 5.850 1.00 0.69 O ATOM 829 CB PRO A 55 -8.223 -1.620 4.771 1.00 0.84 C ATOM 830 CG PRO A 55 -9.518 -2.356 5.116 1.00 0.85 C ATOM 831 CD PRO A 55 -9.435 -3.631 4.275 1.00 0.71 C ATOM 0 HA PRO A 55 -6.503 -2.437 3.743 1.00 0.66 H new ATOM 0 HB2 PRO A 55 -7.898 -0.978 5.590 1.00 0.84 H new ATOM 0 HB3 PRO A 55 -8.347 -0.982 3.896 1.00 0.84 H new ATOM 0 HG2 PRO A 55 -9.581 -2.580 6.181 1.00 0.85 H new ATOM 0 HG3 PRO A 55 -10.397 -1.764 4.862 1.00 0.85 H new ATOM 0 HD2 PRO A 55 -9.932 -4.463 4.773 1.00 0.71 H new ATOM 0 HD3 PRO A 55 -9.925 -3.498 3.311 1.00 0.71 H new ATOM 839 N ARG A 56 -6.928 -3.903 6.650 1.00 0.75 N ATOM 840 CA ARG A 56 -6.282 -4.366 7.874 1.00 0.91 C ATOM 841 C ARG A 56 -4.843 -4.845 7.614 1.00 0.81 C ATOM 842 O ARG A 56 -3.888 -4.326 8.198 1.00 0.76 O ATOM 843 CB ARG A 56 -7.139 -5.498 8.475 1.00 1.26 C ATOM 844 CG ARG A 56 -8.573 -5.072 8.850 1.00 1.81 C ATOM 845 CD ARG A 56 -8.764 -4.736 10.335 1.00 2.09 C ATOM 846 NE ARG A 56 -7.847 -3.674 10.783 1.00 3.35 N ATOM 847 CZ ARG A 56 -6.712 -3.851 11.479 1.00 4.78 C ATOM 848 NH1 ARG A 56 -6.361 -5.054 11.942 1.00 5.25 N ATOM 849 NH2 ARG A 56 -5.893 -2.821 11.708 1.00 6.33 N ATOM 0 H ARG A 56 -7.877 -4.263 6.547 1.00 0.75 H new ATOM 0 HA ARG A 56 -6.210 -3.537 8.578 1.00 0.91 H new ATOM 0 HB2 ARG A 56 -7.191 -6.319 7.760 1.00 1.26 H new ATOM 0 HB3 ARG A 56 -6.641 -5.882 9.365 1.00 1.26 H new ATOM 0 HG2 ARG A 56 -8.848 -4.202 8.254 1.00 1.81 H new ATOM 0 HG3 ARG A 56 -9.260 -5.874 8.580 1.00 1.81 H new ATOM 0 HD2 ARG A 56 -9.794 -4.422 10.506 1.00 2.09 H new ATOM 0 HD3 ARG A 56 -8.601 -5.632 10.933 1.00 2.09 H new ATOM 0 HE ARG A 56 -8.097 -2.715 10.542 1.00 3.35 H new ATOM 0 HH11 ARG A 56 -6.960 -5.862 11.769 1.00 5.25 H new ATOM 0 HH12 ARG A 56 -5.494 -5.165 12.468 1.00 5.25 H new ATOM 0 HH21 ARG A 56 -6.128 -1.894 11.354 1.00 6.33 H new ATOM 0 HH22 ARG A 56 -5.032 -2.962 12.237 1.00 6.33 H new ATOM 863 N ASP A 57 -4.703 -5.853 6.751 1.00 0.83 N ATOM 864 CA ASP A 57 -3.462 -6.559 6.466 1.00 0.86 C ATOM 865 C ASP A 57 -2.409 -5.591 5.930 1.00 0.76 C ATOM 866 O ASP A 57 -1.269 -5.533 6.408 1.00 0.82 O ATOM 867 CB ASP A 57 -3.744 -7.640 5.409 1.00 0.93 C ATOM 868 CG ASP A 57 -4.995 -8.455 5.683 1.00 1.37 C ATOM 869 OD1 ASP A 57 -6.083 -7.840 5.567 1.00 2.31 O ATOM 870 OD2 ASP A 57 -4.837 -9.653 5.987 1.00 2.16 O ATOM 0 H ASP A 57 -5.490 -6.212 6.210 1.00 0.83 H new ATOM 0 HA ASP A 57 -3.085 -7.012 7.383 1.00 0.86 H new ATOM 0 HB2 ASP A 57 -3.838 -7.164 4.433 1.00 0.93 H new ATOM 0 HB3 ASP A 57 -2.888 -8.313 5.354 1.00 0.93 H new ATOM 875 N ILE A 58 -2.826 -4.839 4.909 1.00 0.67 N ATOM 876 CA ILE A 58 -2.050 -3.789 4.274 1.00 0.58 C ATOM 877 C ILE A 58 -1.552 -2.836 5.354 1.00 0.57 C ATOM 878 O ILE A 58 -0.361 -2.551 5.452 1.00 0.56 O ATOM 879 CB ILE A 58 -2.940 -3.046 3.261 1.00 0.53 C ATOM 880 CG1 ILE A 58 -3.308 -3.966 2.091 1.00 0.51 C ATOM 881 CG2 ILE A 58 -2.282 -1.757 2.752 1.00 0.62 C ATOM 882 CD1 ILE A 58 -4.335 -3.307 1.171 1.00 1.46 C ATOM 0 H ILE A 58 -3.749 -4.955 4.491 1.00 0.67 H new ATOM 0 HA ILE A 58 -1.195 -4.208 3.743 1.00 0.58 H new ATOM 0 HB ILE A 58 -3.853 -2.757 3.781 1.00 0.53 H new ATOM 0 HG12 ILE A 58 -2.411 -4.212 1.522 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -3.709 -4.904 2.475 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -2.946 -1.266 2.040 1.00 0.62 H new ATOM 0 HG22 ILE A 58 -2.093 -1.089 3.592 1.00 0.62 H new ATOM 0 HG23 ILE A 58 -1.339 -1.999 2.262 1.00 0.62 H new ATOM 0 HD11 ILE A 58 -4.576 -3.984 0.351 1.00 1.46 H new ATOM 0 HD12 ILE A 58 -5.240 -3.085 1.736 1.00 1.46 H new ATOM 0 HD13 ILE A 58 -3.922 -2.382 0.769 1.00 1.46 H new ATOM 894 N ILE A 59 -2.484 -2.325 6.154 1.00 0.60 N ATOM 895 CA ILE A 59 -2.185 -1.296 7.120 1.00 0.60 C ATOM 896 C ILE A 59 -1.142 -1.805 8.105 1.00 0.60 C ATOM 897 O ILE A 59 -0.099 -1.179 8.243 1.00 0.59 O ATOM 898 CB ILE A 59 -3.480 -0.777 7.761 1.00 0.63 C ATOM 899 CG1 ILE A 59 -4.185 0.131 6.739 1.00 0.65 C ATOM 900 CG2 ILE A 59 -3.243 -0.061 9.100 1.00 0.63 C ATOM 901 CD1 ILE A 59 -5.648 0.348 7.104 1.00 0.68 C ATOM 0 H ILE A 59 -3.461 -2.618 6.144 1.00 0.60 H new ATOM 0 HA ILE A 59 -1.738 -0.428 6.637 1.00 0.60 H new ATOM 0 HB ILE A 59 -4.117 -1.626 8.010 1.00 0.63 H new ATOM 0 HG12 ILE A 59 -3.674 1.093 6.691 1.00 0.65 H new ATOM 0 HG13 ILE A 59 -4.118 -0.315 5.747 1.00 0.65 H new ATOM 0 HG21 ILE A 59 -4.196 0.282 9.503 1.00 0.63 H new ATOM 0 HG22 ILE A 59 -2.779 -0.751 9.805 1.00 0.63 H new ATOM 0 HG23 ILE A 59 -2.586 0.794 8.944 1.00 0.63 H new ATOM 0 HD11 ILE A 59 -6.116 0.994 6.361 1.00 0.68 H new ATOM 0 HD12 ILE A 59 -6.164 -0.612 7.127 1.00 0.68 H new ATOM 0 HD13 ILE A 59 -5.712 0.818 8.086 1.00 0.68 H new ATOM 913 N HIS A 60 -1.369 -2.957 8.743 1.00 0.64 N ATOM 914 CA HIS A 60 -0.400 -3.476 9.706 1.00 0.70 C ATOM 915 C HIS A 60 0.957 -3.690 9.042 1.00 0.66 C ATOM 916 O HIS A 60 2.002 -3.392 9.626 1.00 0.66 O ATOM 917 CB HIS A 60 -0.903 -4.769 10.351 1.00 0.89 C ATOM 918 CG HIS A 60 -1.906 -4.510 11.440 1.00 1.29 C ATOM 919 ND1 HIS A 60 -1.650 -3.879 12.637 1.00 2.71 N ATOM 920 CD2 HIS A 60 -3.233 -4.837 11.418 1.00 1.24 C ATOM 921 CE1 HIS A 60 -2.805 -3.827 13.322 1.00 3.00 C ATOM 922 NE2 HIS A 60 -3.805 -4.386 12.617 1.00 2.00 N ATOM 0 H HIS A 60 -2.198 -3.536 8.613 1.00 0.64 H new ATOM 0 HA HIS A 60 -0.280 -2.735 10.497 1.00 0.70 H new ATOM 0 HB2 HIS A 60 -1.355 -5.402 9.587 1.00 0.89 H new ATOM 0 HB3 HIS A 60 -0.057 -5.320 10.762 1.00 0.89 H new ATOM 0 HD1 HIS A 60 -0.748 -3.517 12.947 1.00 2.71 H new ATOM 0 HD2 HIS A 60 -3.749 -5.351 10.620 1.00 1.24 H new ATOM 0 HE1 HIS A 60 -2.915 -3.395 14.306 1.00 3.00 H new ATOM 930 N THR A 61 0.938 -4.191 7.808 1.00 0.65 N ATOM 931 CA THR A 61 2.165 -4.359 7.048 1.00 0.68 C ATOM 932 C THR A 61 2.903 -3.019 6.929 1.00 0.62 C ATOM 933 O THR A 61 4.085 -2.938 7.252 1.00 0.68 O ATOM 934 CB THR A 61 1.838 -5.005 5.697 1.00 0.76 C ATOM 935 OG1 THR A 61 1.402 -6.331 5.926 1.00 0.96 O ATOM 936 CG2 THR A 61 3.037 -5.031 4.748 1.00 0.91 C ATOM 0 H THR A 61 0.091 -4.484 7.320 1.00 0.65 H new ATOM 0 HA THR A 61 2.849 -5.032 7.565 1.00 0.68 H new ATOM 0 HB THR A 61 1.062 -4.405 5.221 1.00 0.76 H new ATOM 0 HG1 THR A 61 0.440 -6.331 6.115 1.00 0.96 H new ATOM 0 HG21 THR A 61 2.747 -5.499 3.808 1.00 0.91 H new ATOM 0 HG22 THR A 61 3.372 -4.012 4.557 1.00 0.91 H new ATOM 0 HG23 THR A 61 3.848 -5.601 5.202 1.00 0.91 H new ATOM 944 N ILE A 62 2.225 -1.965 6.476 1.00 0.54 N ATOM 945 CA ILE A 62 2.871 -0.682 6.225 1.00 0.51 C ATOM 946 C ILE A 62 3.285 -0.005 7.537 1.00 0.50 C ATOM 947 O ILE A 62 4.392 0.526 7.616 1.00 0.53 O ATOM 948 CB ILE A 62 1.986 0.186 5.319 1.00 0.47 C ATOM 949 CG1 ILE A 62 1.837 -0.527 3.963 1.00 0.53 C ATOM 950 CG2 ILE A 62 2.624 1.562 5.098 1.00 0.48 C ATOM 951 CD1 ILE A 62 0.820 0.143 3.045 1.00 1.05 C ATOM 0 H ILE A 62 1.225 -1.977 6.275 1.00 0.54 H new ATOM 0 HA ILE A 62 3.802 -0.840 5.681 1.00 0.51 H new ATOM 0 HB ILE A 62 1.014 0.328 5.791 1.00 0.47 H new ATOM 0 HG12 ILE A 62 2.806 -0.553 3.464 1.00 0.53 H new ATOM 0 HG13 ILE A 62 1.538 -1.561 4.134 1.00 0.53 H new ATOM 0 HG21 ILE A 62 1.981 2.162 4.453 1.00 0.48 H new ATOM 0 HG22 ILE A 62 2.746 2.065 6.057 1.00 0.48 H new ATOM 0 HG23 ILE A 62 3.599 1.439 4.626 1.00 0.48 H new ATOM 0 HD11 ILE A 62 0.761 -0.406 2.105 1.00 1.05 H new ATOM 0 HD12 ILE A 62 -0.158 0.146 3.526 1.00 1.05 H new ATOM 0 HD13 ILE A 62 1.130 1.169 2.846 1.00 1.05 H new ATOM 963 N GLU A 63 2.446 -0.067 8.575 1.00 0.47 N ATOM 964 CA GLU A 63 2.811 0.345 9.928 1.00 0.49 C ATOM 965 C GLU A 63 4.170 -0.258 10.294 1.00 0.55 C ATOM 966 O GLU A 63 5.083 0.456 10.702 1.00 0.58 O ATOM 967 CB GLU A 63 1.736 -0.109 10.926 1.00 0.67 C ATOM 968 CG GLU A 63 0.412 0.661 10.776 1.00 0.99 C ATOM 969 CD GLU A 63 0.441 2.067 11.363 1.00 2.40 C ATOM 970 OE1 GLU A 63 1.397 2.367 12.109 1.00 3.50 O ATOM 971 OE2 GLU A 63 -0.520 2.808 11.065 1.00 3.37 O ATOM 0 H GLU A 63 1.488 -0.408 8.496 1.00 0.47 H new ATOM 0 HA GLU A 63 2.881 1.432 9.970 1.00 0.49 H new ATOM 0 HB2 GLU A 63 1.548 -1.174 10.789 1.00 0.67 H new ATOM 0 HB3 GLU A 63 2.112 0.021 11.941 1.00 0.67 H new ATOM 0 HG2 GLU A 63 0.159 0.726 9.718 1.00 0.99 H new ATOM 0 HG3 GLU A 63 -0.383 0.093 11.259 1.00 0.99 H new ATOM 978 N SER A 64 4.334 -1.569 10.077 1.00 0.65 N ATOM 979 CA SER A 64 5.596 -2.250 10.355 1.00 0.76 C ATOM 980 C SER A 64 6.790 -1.666 9.581 1.00 0.81 C ATOM 981 O SER A 64 7.926 -1.824 10.021 1.00 0.91 O ATOM 982 CB SER A 64 5.466 -3.756 10.101 1.00 0.90 C ATOM 983 OG SER A 64 4.354 -4.296 10.792 1.00 1.33 O ATOM 0 H SER A 64 3.603 -2.178 9.708 1.00 0.65 H new ATOM 0 HA SER A 64 5.808 -2.082 11.411 1.00 0.76 H new ATOM 0 HB2 SER A 64 5.358 -3.940 9.032 1.00 0.90 H new ATOM 0 HB3 SER A 64 6.377 -4.262 10.421 1.00 0.90 H new ATOM 0 HG SER A 64 3.526 -4.013 10.351 1.00 1.33 H new ATOM 989 N LEU A 65 6.565 -1.008 8.436 1.00 0.87 N ATOM 990 CA LEU A 65 7.621 -0.341 7.674 1.00 0.95 C ATOM 991 C LEU A 65 7.895 1.078 8.189 1.00 0.94 C ATOM 992 O LEU A 65 8.912 1.665 7.817 1.00 1.18 O ATOM 993 CB LEU A 65 7.272 -0.294 6.180 1.00 0.94 C ATOM 994 CG LEU A 65 6.948 -1.657 5.552 1.00 0.97 C ATOM 995 CD1 LEU A 65 6.568 -1.447 4.083 1.00 1.11 C ATOM 996 CD2 LEU A 65 8.124 -2.635 5.644 1.00 1.13 C ATOM 0 H LEU A 65 5.640 -0.925 8.013 1.00 0.87 H new ATOM 0 HA LEU A 65 8.528 -0.929 7.812 1.00 0.95 H new ATOM 0 HB2 LEU A 65 6.416 0.367 6.042 1.00 0.94 H new ATOM 0 HB3 LEU A 65 8.108 0.150 5.640 1.00 0.94 H new ATOM 0 HG LEU A 65 6.119 -2.096 6.108 1.00 0.97 H new ATOM 0 HD11 LEU A 65 6.336 -2.409 3.626 1.00 1.11 H new ATOM 0 HD12 LEU A 65 5.696 -0.796 4.022 1.00 1.11 H new ATOM 0 HD13 LEU A 65 7.402 -0.986 3.554 1.00 1.11 H new ATOM 0 HD21 LEU A 65 7.845 -3.584 5.186 1.00 1.13 H new ATOM 0 HD22 LEU A 65 8.985 -2.219 5.121 1.00 1.13 H new ATOM 0 HD23 LEU A 65 8.380 -2.799 6.691 1.00 1.13 H new ATOM 1008 N GLY A 66 7.016 1.623 9.038 1.00 0.81 N ATOM 1009 CA GLY A 66 7.215 2.898 9.712 1.00 0.81 C ATOM 1010 C GLY A 66 6.669 4.081 8.913 1.00 0.79 C ATOM 1011 O GLY A 66 7.319 5.123 8.845 1.00 0.88 O ATOM 0 H GLY A 66 6.131 1.176 9.276 1.00 0.81 H new ATOM 0 HA2 GLY A 66 6.729 2.868 10.687 1.00 0.81 H new ATOM 0 HA3 GLY A 66 8.280 3.047 9.891 1.00 0.81 H new ATOM 1015 N PHE A 67 5.463 3.945 8.352 1.00 0.71 N ATOM 1016 CA PHE A 67 4.716 5.031 7.727 1.00 0.68 C ATOM 1017 C PHE A 67 3.258 4.866 8.150 1.00 0.58 C ATOM 1018 O PHE A 67 2.881 3.753 8.508 1.00 0.58 O ATOM 1019 CB PHE A 67 4.817 4.943 6.197 1.00 0.71 C ATOM 1020 CG PHE A 67 6.142 4.450 5.645 1.00 0.60 C ATOM 1021 CD1 PHE A 67 7.311 5.220 5.787 1.00 1.96 C ATOM 1022 CD2 PHE A 67 6.215 3.186 5.032 1.00 1.56 C ATOM 1023 CE1 PHE A 67 8.524 4.767 5.245 1.00 1.84 C ATOM 1024 CE2 PHE A 67 7.423 2.735 4.482 1.00 1.68 C ATOM 1025 CZ PHE A 67 8.571 3.533 4.576 1.00 0.54 C ATOM 0 H PHE A 67 4.971 3.052 8.322 1.00 0.71 H new ATOM 0 HA PHE A 67 5.116 5.997 8.036 1.00 0.68 H new ATOM 0 HB2 PHE A 67 4.028 4.282 5.838 1.00 0.71 H new ATOM 0 HB3 PHE A 67 4.618 5.931 5.782 1.00 0.71 H new ATOM 0 HD1 PHE A 67 7.275 6.162 6.314 1.00 1.96 H new ATOM 0 HD2 PHE A 67 5.336 2.560 4.985 1.00 1.56 H new ATOM 0 HE1 PHE A 67 9.418 5.365 5.342 1.00 1.84 H new ATOM 0 HE2 PHE A 67 7.469 1.776 3.988 1.00 1.68 H new ATOM 0 HZ PHE A 67 9.496 3.197 4.132 1.00 0.54 H new ATOM 1035 N GLU A 68 2.439 5.922 8.075 1.00 0.59 N ATOM 1036 CA GLU A 68 1.029 5.852 8.436 1.00 0.53 C ATOM 1037 C GLU A 68 0.158 5.680 7.178 1.00 0.48 C ATOM 1038 O GLU A 68 -0.136 6.685 6.525 1.00 0.62 O ATOM 1039 CB GLU A 68 0.635 7.141 9.158 1.00 0.73 C ATOM 1040 CG GLU A 68 1.149 7.223 10.601 1.00 1.21 C ATOM 1041 CD GLU A 68 0.500 8.406 11.298 1.00 1.95 C ATOM 1042 OE1 GLU A 68 -0.729 8.349 11.516 1.00 2.87 O ATOM 1043 OE2 GLU A 68 1.166 9.457 11.412 1.00 2.46 O ATOM 0 H GLU A 68 2.740 6.845 7.762 1.00 0.59 H new ATOM 0 HA GLU A 68 0.870 4.994 9.089 1.00 0.53 H new ATOM 0 HB2 GLU A 68 1.018 7.993 8.596 1.00 0.73 H new ATOM 0 HB3 GLU A 68 -0.452 7.226 9.164 1.00 0.73 H new ATOM 0 HG2 GLU A 68 0.919 6.301 11.134 1.00 1.21 H new ATOM 0 HG3 GLU A 68 2.233 7.333 10.607 1.00 1.21 H new ATOM 1050 N PRO A 69 -0.289 4.458 6.828 1.00 0.43 N ATOM 1051 CA PRO A 69 -1.112 4.188 5.652 1.00 0.46 C ATOM 1052 C PRO A 69 -2.509 4.785 5.821 1.00 0.52 C ATOM 1053 O PRO A 69 -3.474 4.098 6.155 1.00 0.92 O ATOM 1054 CB PRO A 69 -1.147 2.665 5.515 1.00 0.49 C ATOM 1055 CG PRO A 69 -1.024 2.207 6.961 1.00 0.50 C ATOM 1056 CD PRO A 69 -0.076 3.227 7.572 1.00 0.50 C ATOM 0 HA PRO A 69 -0.705 4.646 4.751 1.00 0.46 H new ATOM 0 HB2 PRO A 69 -2.073 2.319 5.056 1.00 0.49 H new ATOM 0 HB3 PRO A 69 -0.328 2.293 4.899 1.00 0.49 H new ATOM 0 HG2 PRO A 69 -1.990 2.203 7.465 1.00 0.50 H new ATOM 0 HG3 PRO A 69 -0.625 1.195 7.030 1.00 0.50 H new ATOM 0 HD2 PRO A 69 -0.285 3.369 8.632 1.00 0.50 H new ATOM 0 HD3 PRO A 69 0.959 2.896 7.493 1.00 0.50 H new ATOM 1064 N SER A 70 -2.623 6.084 5.568 1.00 0.61 N ATOM 1065 CA SER A 70 -3.847 6.819 5.808 1.00 0.71 C ATOM 1066 C SER A 70 -4.809 6.539 4.650 1.00 0.65 C ATOM 1067 O SER A 70 -4.638 7.079 3.559 1.00 0.57 O ATOM 1068 CB SER A 70 -3.496 8.299 5.981 1.00 0.85 C ATOM 1069 OG SER A 70 -2.494 8.436 6.981 1.00 1.92 O ATOM 0 H SER A 70 -1.865 6.653 5.190 1.00 0.61 H new ATOM 0 HA SER A 70 -4.352 6.507 6.722 1.00 0.71 H new ATOM 0 HB2 SER A 70 -3.141 8.712 5.037 1.00 0.85 H new ATOM 0 HB3 SER A 70 -4.385 8.864 6.262 1.00 0.85 H new ATOM 0 HG SER A 70 -1.684 7.961 6.700 1.00 1.92 H new ATOM 1075 N LEU A 71 -5.784 5.655 4.872 1.00 0.83 N ATOM 1076 CA LEU A 71 -6.716 5.137 3.871 1.00 0.98 C ATOM 1077 C LEU A 71 -7.706 6.197 3.358 1.00 1.05 C ATOM 1078 O LEU A 71 -8.911 6.071 3.554 1.00 1.50 O ATOM 1079 CB LEU A 71 -7.433 3.898 4.443 1.00 1.37 C ATOM 1080 CG LEU A 71 -8.221 4.175 5.742 1.00 1.68 C ATOM 1081 CD1 LEU A 71 -9.638 3.597 5.640 1.00 1.72 C ATOM 1082 CD2 LEU A 71 -7.536 3.561 6.970 1.00 2.93 C ATOM 0 H LEU A 71 -5.952 5.263 5.799 1.00 0.83 H new ATOM 0 HA LEU A 71 -6.142 4.845 2.992 1.00 0.98 H new ATOM 0 HB2 LEU A 71 -8.118 3.507 3.691 1.00 1.37 H new ATOM 0 HB3 LEU A 71 -6.694 3.120 4.637 1.00 1.37 H new ATOM 0 HG LEU A 71 -8.258 5.258 5.863 1.00 1.68 H new ATOM 0 HD11 LEU A 71 -10.181 3.800 6.563 1.00 1.72 H new ATOM 0 HD12 LEU A 71 -10.160 4.059 4.802 1.00 1.72 H new ATOM 0 HD13 LEU A 71 -9.581 2.520 5.482 1.00 1.72 H new ATOM 0 HD21 LEU A 71 -8.124 3.780 7.862 1.00 2.93 H new ATOM 0 HD22 LEU A 71 -7.459 2.481 6.842 1.00 2.93 H new ATOM 0 HD23 LEU A 71 -6.538 3.985 7.080 1.00 2.93 H new ATOM 1094 N VAL A 72 -7.211 7.240 2.689 1.00 1.12 N ATOM 1095 CA VAL A 72 -8.051 8.333 2.212 1.00 1.29 C ATOM 1096 C VAL A 72 -9.025 7.853 1.127 1.00 1.50 C ATOM 1097 O VAL A 72 -10.214 8.142 1.227 1.00 2.42 O ATOM 1098 CB VAL A 72 -7.190 9.525 1.746 1.00 1.59 C ATOM 1099 CG1 VAL A 72 -8.066 10.699 1.287 1.00 2.33 C ATOM 1100 CG2 VAL A 72 -6.299 10.050 2.882 1.00 2.27 C ATOM 0 H VAL A 72 -6.222 7.348 2.465 1.00 1.12 H new ATOM 0 HA VAL A 72 -8.660 8.686 3.044 1.00 1.29 H new ATOM 0 HB VAL A 72 -6.581 9.154 0.922 1.00 1.59 H new ATOM 0 HG11 VAL A 72 -7.430 11.523 0.965 1.00 2.33 H new ATOM 0 HG12 VAL A 72 -8.696 10.380 0.456 1.00 2.33 H new ATOM 0 HG13 VAL A 72 -8.696 11.028 2.114 1.00 2.33 H new ATOM 0 HG21 VAL A 72 -5.705 10.890 2.520 1.00 2.27 H new ATOM 0 HG22 VAL A 72 -6.924 10.379 3.712 1.00 2.27 H new ATOM 0 HG23 VAL A 72 -5.635 9.255 3.220 1.00 2.27 H new ATOM 1110 N LYS A 73 -8.517 7.150 0.102 1.00 1.26 N ATOM 1111 CA LYS A 73 -9.205 6.867 -1.160 1.00 1.52 C ATOM 1112 C LYS A 73 -9.385 8.158 -1.975 1.00 1.86 C ATOM 1113 O LYS A 73 -9.792 9.187 -1.443 1.00 2.90 O ATOM 1114 CB LYS A 73 -10.550 6.129 -0.962 1.00 2.36 C ATOM 1115 CG LYS A 73 -11.211 5.634 -2.267 1.00 2.88 C ATOM 1116 CD LYS A 73 -10.700 4.262 -2.734 1.00 3.88 C ATOM 1117 CE LYS A 73 -11.207 3.924 -4.147 1.00 4.72 C ATOM 1118 NZ LYS A 73 -10.447 4.606 -5.217 1.00 5.34 N ATOM 0 H LYS A 73 -7.580 6.749 0.135 1.00 1.26 H new ATOM 0 HA LYS A 73 -8.570 6.184 -1.724 1.00 1.52 H new ATOM 0 HB2 LYS A 73 -10.387 5.274 -0.306 1.00 2.36 H new ATOM 0 HB3 LYS A 73 -11.243 6.796 -0.450 1.00 2.36 H new ATOM 0 HG2 LYS A 73 -12.290 5.580 -2.120 1.00 2.88 H new ATOM 0 HG3 LYS A 73 -11.033 6.366 -3.055 1.00 2.88 H new ATOM 0 HD2 LYS A 73 -9.610 4.256 -2.726 1.00 3.88 H new ATOM 0 HD3 LYS A 73 -11.028 3.493 -2.035 1.00 3.88 H new ATOM 0 HE2 LYS A 73 -11.148 2.846 -4.299 1.00 4.72 H new ATOM 0 HE3 LYS A 73 -12.259 4.200 -4.224 1.00 4.72 H new ATOM 0 HZ1 LYS A 73 -11.000 4.593 -6.098 1.00 5.34 H new ATOM 0 HZ2 LYS A 73 -10.263 5.591 -4.938 1.00 5.34 H new ATOM 0 HZ3 LYS A 73 -9.543 4.114 -5.369 1.00 5.34 H new ATOM 1132 N ILE A 74 -9.124 8.105 -3.282 1.00 2.77 N ATOM 1133 CA ILE A 74 -9.675 9.055 -4.242 1.00 3.85 C ATOM 1134 C ILE A 74 -10.336 8.227 -5.339 1.00 4.75 C ATOM 1135 O ILE A 74 -9.834 7.147 -5.646 1.00 5.51 O ATOM 1136 CB ILE A 74 -8.601 10.016 -4.787 1.00 5.12 C ATOM 1137 CG1 ILE A 74 -7.455 9.292 -5.519 1.00 6.31 C ATOM 1138 CG2 ILE A 74 -8.062 10.892 -3.646 1.00 5.89 C ATOM 1139 CD1 ILE A 74 -6.565 10.267 -6.297 1.00 7.74 C ATOM 0 H ILE A 74 -8.522 7.398 -3.703 1.00 2.77 H new ATOM 0 HA ILE A 74 -10.408 9.707 -3.768 1.00 3.85 H new ATOM 0 HB ILE A 74 -9.080 10.647 -5.536 1.00 5.12 H new ATOM 0 HG12 ILE A 74 -6.849 8.747 -4.795 1.00 6.31 H new ATOM 0 HG13 ILE A 74 -7.872 8.555 -6.205 1.00 6.31 H new ATOM 0 HG21 ILE A 74 -7.303 11.570 -4.035 1.00 5.89 H new ATOM 0 HG22 ILE A 74 -8.879 11.471 -3.215 1.00 5.89 H new ATOM 0 HG23 ILE A 74 -7.622 10.257 -2.877 1.00 5.89 H new ATOM 0 HD11 ILE A 74 -5.770 9.714 -6.798 1.00 7.74 H new ATOM 0 HD12 ILE A 74 -7.164 10.793 -7.040 1.00 7.74 H new ATOM 0 HD13 ILE A 74 -6.126 10.988 -5.608 1.00 7.74 H new ATOM 1151 N GLU A 75 -11.462 8.691 -5.887 1.00 5.46 N ATOM 1152 CA GLU A 75 -12.233 7.934 -6.867 1.00 6.79 C ATOM 1153 C GLU A 75 -12.482 6.516 -6.329 1.00 7.39 C ATOM 1154 O GLU A 75 -12.119 5.530 -7.011 1.00 8.44 O ATOM 1155 CB GLU A 75 -11.506 7.957 -8.222 1.00 8.19 C ATOM 1156 CG GLU A 75 -11.224 9.390 -8.702 1.00 8.94 C ATOM 1157 CD GLU A 75 -10.396 9.388 -9.979 1.00 10.56 C ATOM 1158 OE1 GLU A 75 -11.015 9.261 -11.058 1.00 11.54 O ATOM 1159 OE2 GLU A 75 -9.158 9.513 -9.851 1.00 11.14 O ATOM 1160 OXT GLU A 75 -12.918 6.423 -5.161 1.00 7.38 O ATOM 0 H GLU A 75 -11.862 9.602 -5.662 1.00 5.46 H new ATOM 0 HA GLU A 75 -13.211 8.387 -7.031 1.00 6.79 H new ATOM 0 HB2 GLU A 75 -10.566 7.412 -8.138 1.00 8.19 H new ATOM 0 HB3 GLU A 75 -12.110 7.438 -8.966 1.00 8.19 H new ATOM 0 HG2 GLU A 75 -12.166 9.910 -8.877 1.00 8.94 H new ATOM 0 HG3 GLU A 75 -10.696 9.940 -7.923 1.00 8.94 H new TER 1167 GLU A 75 HETATM 1168 CU CU1 A 76 13.058 6.183 2.363 1.00 0.88 CU