USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 665 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 26 THR OG1 : rot 41:sc= -0.107 USER MOD Set 1.2: A 75 MET CE :methyl -153:sc= -2.73! (180deg=-3.86!) USER MOD Set 2.1: A 18 SER OG : rot -100:sc= 0.803 USER MOD Set 2.2: A 21 HIS : no HD1:sc= 0.77 K(o=1.6,f=-5.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0621 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 1:sc= 0.54 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 62:sc= 0.0715 USER MOD Single : A 20 LYS NZ :NH3+ -135:sc= -1.01 (180deg=-3.14!) USER MOD Single : A 22 TYR OH : rot -165:sc= -0.0207 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.63 F(o=-1.5,f=-0.63) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -83:sc= -0.144 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -36:sc= 0.549 USER MOD Single : A 41 ASN : amide:sc= -1.86 K(o=-1.9,f=-7!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 15:sc= -0.743 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.049 X(o=-0.049,f=-0.049) USER MOD Single : A 51 ASN : amide:sc= -1.84 K(o=-1.8,f=-4!) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.738 F(o=-1.5,f=-0.74) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -1.36 F(o=-3.4!,f=-1.4) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -1.29 F(o=-2.1,f=-1.3) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 61 GLN : amide:sc= -3.61! C(o=-3.6!,f=-3.2!) USER MOD Single : A 63 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.6!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -147:sc= -0.117 (180deg=-1.77) USER MOD Single : A 70 CYS SG : rot -82:sc= 0.934 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -3.77! C(o=-3.8!,f=-4.2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.661 20.296 -0.305 1.00 0.00 N ATOM 2 CA GLY A 1 5.461 21.112 -0.345 1.00 0.00 C ATOM 3 C GLY A 1 5.755 22.559 -0.688 1.00 0.00 C ATOM 4 O GLY A 1 6.665 23.165 -0.124 1.00 0.00 O ATOM 0 H1 GLY A 1 6.407 19.316 -0.067 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.126 20.316 -1.235 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.311 20.670 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.770 20.701 -1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.961 21.065 0.623 1.00 0.00 H new ATOM 8 N SER A 2 4.983 23.113 -1.618 1.00 0.00 N ATOM 9 CA SER A 2 5.168 24.496 -2.040 1.00 0.00 C ATOM 10 C SER A 2 4.265 25.433 -1.244 1.00 0.00 C ATOM 11 O SER A 2 4.692 26.501 -0.807 1.00 0.00 O ATOM 12 CB SER A 2 4.878 24.638 -3.536 1.00 0.00 C ATOM 13 OG SER A 2 3.492 24.514 -3.800 1.00 0.00 O ATOM 0 H SER A 2 4.224 22.625 -2.093 1.00 0.00 H new ATOM 0 HA SER A 2 6.205 24.772 -1.850 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.233 25.606 -3.888 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.427 23.876 -4.090 1.00 0.00 H new ATOM 0 HG SER A 2 3.332 24.610 -4.762 1.00 0.00 H new ATOM 19 N SER A 3 3.014 25.023 -1.060 1.00 0.00 N ATOM 20 CA SER A 3 2.048 25.827 -0.320 1.00 0.00 C ATOM 21 C SER A 3 1.216 24.952 0.613 1.00 0.00 C ATOM 22 O SER A 3 1.334 23.728 0.604 1.00 0.00 O ATOM 23 CB SER A 3 1.130 26.577 -1.287 1.00 0.00 C ATOM 24 OG SER A 3 0.147 25.714 -1.832 1.00 0.00 O ATOM 0 H SER A 3 2.646 24.140 -1.413 1.00 0.00 H new ATOM 0 HA SER A 3 2.598 26.550 0.282 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.645 27.402 -0.766 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.722 27.012 -2.092 1.00 0.00 H new ATOM 0 HG SER A 3 -0.427 26.218 -2.445 1.00 0.00 H new ATOM 30 N GLY A 4 0.373 25.592 1.418 1.00 0.00 N ATOM 31 CA GLY A 4 -0.467 24.858 2.347 1.00 0.00 C ATOM 32 C GLY A 4 -1.439 23.933 1.643 1.00 0.00 C ATOM 33 O GLY A 4 -1.780 24.149 0.480 1.00 0.00 O ATOM 0 H GLY A 4 0.257 26.605 1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.163 24.275 3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.024 25.563 2.964 1.00 0.00 H new ATOM 37 N SER A 5 -1.886 22.899 2.348 1.00 0.00 N ATOM 38 CA SER A 5 -2.821 21.934 1.781 1.00 0.00 C ATOM 39 C SER A 5 -3.882 21.540 2.805 1.00 0.00 C ATOM 40 O SER A 5 -3.563 21.084 3.903 1.00 0.00 O ATOM 41 CB SER A 5 -2.073 20.689 1.300 1.00 0.00 C ATOM 42 OG SER A 5 -1.726 19.850 2.389 1.00 0.00 O ATOM 0 H SER A 5 -1.616 22.708 3.313 1.00 0.00 H new ATOM 0 HA SER A 5 -3.317 22.402 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.695 20.137 0.595 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.172 20.987 0.764 1.00 0.00 H new ATOM 0 HG SER A 5 -2.049 20.248 3.224 1.00 0.00 H new ATOM 48 N SER A 6 -5.147 21.719 2.436 1.00 0.00 N ATOM 49 CA SER A 6 -6.256 21.386 3.322 1.00 0.00 C ATOM 50 C SER A 6 -6.941 20.098 2.875 1.00 0.00 C ATOM 51 O SER A 6 -8.167 20.024 2.812 1.00 0.00 O ATOM 52 CB SER A 6 -7.270 22.531 3.356 1.00 0.00 C ATOM 53 OG SER A 6 -6.730 23.672 4.001 1.00 0.00 O ATOM 0 H SER A 6 -5.429 22.093 1.530 1.00 0.00 H new ATOM 0 HA SER A 6 -5.855 21.235 4.324 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.565 22.790 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.171 22.207 3.877 1.00 0.00 H new ATOM 0 HG SER A 6 -7.397 24.390 4.008 1.00 0.00 H new ATOM 59 N GLY A 7 -6.137 19.085 2.566 1.00 0.00 N ATOM 60 CA GLY A 7 -6.683 17.813 2.128 1.00 0.00 C ATOM 61 C GLY A 7 -6.259 16.663 3.021 1.00 0.00 C ATOM 62 O GLY A 7 -5.490 16.851 3.964 1.00 0.00 O ATOM 0 H GLY A 7 -5.119 19.122 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.771 17.874 2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.359 17.614 1.106 1.00 0.00 H new ATOM 66 N ILE A 8 -6.762 15.470 2.724 1.00 0.00 N ATOM 67 CA ILE A 8 -6.432 14.286 3.507 1.00 0.00 C ATOM 68 C ILE A 8 -5.199 13.583 2.948 1.00 0.00 C ATOM 69 O ILE A 8 -4.987 13.552 1.736 1.00 0.00 O ATOM 70 CB ILE A 8 -7.605 13.288 3.542 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.919 14.023 3.816 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.360 12.219 4.597 1.00 0.00 C ATOM 73 CD1 ILE A 8 -10.145 13.159 3.624 1.00 0.00 C ATOM 0 H ILE A 8 -7.400 15.298 1.947 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.225 14.627 4.521 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.678 12.801 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.908 14.402 4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.987 14.888 3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.197 11.521 4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.442 11.680 4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.265 12.689 5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -11.040 13.745 3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.180 12.801 2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.100 12.308 4.303 1.00 0.00 H new ATOM 85 N GLU A 9 -4.390 13.020 3.840 1.00 0.00 N ATOM 86 CA GLU A 9 -3.179 12.317 3.434 1.00 0.00 C ATOM 87 C GLU A 9 -3.304 10.819 3.698 1.00 0.00 C ATOM 88 O GLU A 9 -4.180 10.380 4.444 1.00 0.00 O ATOM 89 CB GLU A 9 -1.964 12.877 4.178 1.00 0.00 C ATOM 90 CG GLU A 9 -1.448 14.184 3.601 1.00 0.00 C ATOM 91 CD GLU A 9 -0.206 14.685 4.313 1.00 0.00 C ATOM 92 OE1 GLU A 9 0.708 13.870 4.559 1.00 0.00 O ATOM 93 OE2 GLU A 9 -0.148 15.893 4.625 1.00 0.00 O ATOM 0 H GLU A 9 -4.551 13.037 4.847 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.043 12.469 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.228 13.030 5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.163 12.138 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.225 14.047 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.230 14.940 3.667 1.00 0.00 H new ATOM 100 N CYS A 10 -2.423 10.039 3.081 1.00 0.00 N ATOM 101 CA CYS A 10 -2.435 8.591 3.247 1.00 0.00 C ATOM 102 C CYS A 10 -1.783 8.190 4.568 1.00 0.00 C ATOM 103 O CYS A 10 -0.643 8.560 4.847 1.00 0.00 O ATOM 104 CB CYS A 10 -1.708 7.917 2.082 1.00 0.00 C ATOM 105 SG CYS A 10 -1.746 6.096 2.135 1.00 0.00 S ATOM 0 H CYS A 10 -1.691 10.386 2.461 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.473 8.260 3.259 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.155 8.252 1.146 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.670 8.248 2.075 1.00 0.00 H new ATOM 110 N VAL A 11 -2.515 7.430 5.376 1.00 0.00 N ATOM 111 CA VAL A 11 -2.009 6.977 6.666 1.00 0.00 C ATOM 112 C VAL A 11 -0.990 5.856 6.494 1.00 0.00 C ATOM 113 O VAL A 11 -0.540 5.256 7.470 1.00 0.00 O ATOM 114 CB VAL A 11 -3.150 6.484 7.575 1.00 0.00 C ATOM 115 CG1 VAL A 11 -4.055 7.640 7.971 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.945 5.387 6.884 1.00 0.00 C ATOM 0 H VAL A 11 -3.461 7.115 5.160 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.526 7.834 7.135 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.714 6.068 8.483 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.855 7.272 8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.474 8.389 8.508 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.485 8.088 7.076 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.747 5.050 7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.372 5.775 5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.287 4.549 6.656 1.00 0.00 H new ATOM 126 N VAL A 12 -0.631 5.577 5.244 1.00 0.00 N ATOM 127 CA VAL A 12 0.336 4.528 4.943 1.00 0.00 C ATOM 128 C VAL A 12 1.629 5.116 4.388 1.00 0.00 C ATOM 129 O VAL A 12 2.715 4.853 4.905 1.00 0.00 O ATOM 130 CB VAL A 12 -0.231 3.516 3.931 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.800 2.444 3.612 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.513 2.893 4.462 1.00 0.00 C ATOM 0 H VAL A 12 -0.995 6.063 4.424 1.00 0.00 H new ATOM 0 HA VAL A 12 0.547 4.013 5.880 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.467 4.045 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.381 1.738 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.689 2.909 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.070 1.915 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.900 2.180 3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.306 2.377 5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.253 3.674 4.634 1.00 0.00 H new ATOM 142 N CYS A 13 1.504 5.913 3.332 1.00 0.00 N ATOM 143 CA CYS A 13 2.662 6.539 2.705 1.00 0.00 C ATOM 144 C CYS A 13 2.594 8.058 2.832 1.00 0.00 C ATOM 145 O CYS A 13 3.581 8.755 2.602 1.00 0.00 O ATOM 146 CB CYS A 13 2.747 6.142 1.230 1.00 0.00 C ATOM 147 SG CYS A 13 1.318 6.676 0.234 1.00 0.00 S ATOM 0 H CYS A 13 0.612 6.141 2.892 1.00 0.00 H new ATOM 0 HA CYS A 13 3.557 6.189 3.220 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.654 6.568 0.802 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.840 5.058 1.161 1.00 0.00 H new ATOM 152 N GLY A 14 1.421 8.564 3.198 1.00 0.00 N ATOM 153 CA GLY A 14 1.245 9.996 3.349 1.00 0.00 C ATOM 154 C GLY A 14 0.642 10.640 2.116 1.00 0.00 C ATOM 155 O GLY A 14 0.166 11.774 2.169 1.00 0.00 O ATOM 0 H GLY A 14 0.589 8.007 3.393 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.603 10.191 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.210 10.457 3.561 1.00 0.00 H new ATOM 159 N ASP A 15 0.663 9.915 1.003 1.00 0.00 N ATOM 160 CA ASP A 15 0.115 10.422 -0.250 1.00 0.00 C ATOM 161 C ASP A 15 -1.297 10.962 -0.046 1.00 0.00 C ATOM 162 O ASP A 15 -2.096 10.380 0.688 1.00 0.00 O ATOM 163 CB ASP A 15 0.104 9.319 -1.310 1.00 0.00 C ATOM 164 CG ASP A 15 -0.348 9.824 -2.666 1.00 0.00 C ATOM 165 OD1 ASP A 15 -0.153 11.025 -2.948 1.00 0.00 O ATOM 166 OD2 ASP A 15 -0.896 9.018 -3.446 1.00 0.00 O ATOM 0 H ASP A 15 1.053 8.975 0.943 1.00 0.00 H new ATOM 0 HA ASP A 15 0.751 11.238 -0.593 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.104 8.894 -1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.557 8.515 -0.986 1.00 0.00 H new ATOM 171 N LYS A 16 -1.598 12.079 -0.700 1.00 0.00 N ATOM 172 CA LYS A 16 -2.913 12.698 -0.592 1.00 0.00 C ATOM 173 C LYS A 16 -4.019 11.664 -0.778 1.00 0.00 C ATOM 174 O LYS A 16 -4.258 11.190 -1.888 1.00 0.00 O ATOM 175 CB LYS A 16 -3.062 13.812 -1.631 1.00 0.00 C ATOM 176 CG LYS A 16 -3.982 14.937 -1.189 1.00 0.00 C ATOM 177 CD LYS A 16 -3.217 16.030 -0.463 1.00 0.00 C ATOM 178 CE LYS A 16 -3.872 17.390 -0.654 1.00 0.00 C ATOM 179 NZ LYS A 16 -3.394 18.066 -1.892 1.00 0.00 N ATOM 0 H LYS A 16 -0.948 12.574 -1.311 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.004 13.126 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.078 14.225 -1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.444 13.384 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.485 15.360 -2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.757 14.538 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.166 15.795 0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.192 16.064 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.954 17.269 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.659 18.020 0.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.863 18.989 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.365 18.205 -1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.620 17.477 -2.719 1.00 0.00 H new ATOM 193 N SER A 17 -4.692 11.321 0.316 1.00 0.00 N ATOM 194 CA SER A 17 -5.771 10.341 0.274 1.00 0.00 C ATOM 195 C SER A 17 -6.925 10.841 -0.590 1.00 0.00 C ATOM 196 O SER A 17 -7.242 12.031 -0.595 1.00 0.00 O ATOM 197 CB SER A 17 -6.271 10.040 1.688 1.00 0.00 C ATOM 198 OG SER A 17 -7.472 9.288 1.655 1.00 0.00 O ATOM 0 H SER A 17 -4.509 11.707 1.242 1.00 0.00 H new ATOM 0 HA SER A 17 -5.379 9.425 -0.168 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.508 9.489 2.237 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.438 10.974 2.225 1.00 0.00 H new ATOM 0 HG SER A 17 -7.309 8.430 1.211 1.00 0.00 H new ATOM 204 N SER A 18 -7.550 9.923 -1.321 1.00 0.00 N ATOM 205 CA SER A 18 -8.666 10.270 -2.192 1.00 0.00 C ATOM 206 C SER A 18 -9.991 10.179 -1.440 1.00 0.00 C ATOM 207 O SER A 18 -11.017 10.674 -1.906 1.00 0.00 O ATOM 208 CB SER A 18 -8.695 9.347 -3.412 1.00 0.00 C ATOM 209 OG SER A 18 -8.901 7.999 -3.027 1.00 0.00 O ATOM 0 H SER A 18 -7.302 8.934 -1.327 1.00 0.00 H new ATOM 0 HA SER A 18 -8.527 11.298 -2.526 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.489 9.660 -4.090 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.756 9.433 -3.959 1.00 0.00 H new ATOM 0 HG SER A 18 -8.044 7.524 -3.026 1.00 0.00 H new ATOM 215 N GLY A 19 -9.960 9.542 -0.274 1.00 0.00 N ATOM 216 CA GLY A 19 -11.163 9.397 0.525 1.00 0.00 C ATOM 217 C GLY A 19 -11.046 8.289 1.552 1.00 0.00 C ATOM 218 O GLY A 19 -9.997 7.657 1.679 1.00 0.00 O ATOM 0 H GLY A 19 -9.123 9.123 0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.374 10.338 1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.009 9.192 -0.131 1.00 0.00 H new ATOM 222 N LYS A 20 -12.126 8.051 2.289 1.00 0.00 N ATOM 223 CA LYS A 20 -12.142 7.012 3.311 1.00 0.00 C ATOM 224 C LYS A 20 -12.291 5.631 2.681 1.00 0.00 C ATOM 225 O LYS A 20 -13.403 5.184 2.397 1.00 0.00 O ATOM 226 CB LYS A 20 -13.284 7.259 4.301 1.00 0.00 C ATOM 227 CG LYS A 20 -13.443 6.156 5.333 1.00 0.00 C ATOM 228 CD LYS A 20 -14.049 6.683 6.623 1.00 0.00 C ATOM 229 CE LYS A 20 -12.977 7.170 7.585 1.00 0.00 C ATOM 230 NZ LYS A 20 -12.422 6.058 8.406 1.00 0.00 N ATOM 0 H LYS A 20 -13.002 8.565 2.197 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.192 7.048 3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.110 8.204 4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.217 7.365 3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.076 5.366 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.471 5.709 5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.734 7.500 6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.636 5.897 7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.172 7.643 7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.397 7.932 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.354 6.360 9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.048 5.230 8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.476 5.806 8.055 1.00 0.00 H new ATOM 244 N HIS A 21 -11.165 4.959 2.466 1.00 0.00 N ATOM 245 CA HIS A 21 -11.171 3.627 1.871 1.00 0.00 C ATOM 246 C HIS A 21 -10.918 2.558 2.929 1.00 0.00 C ATOM 247 O HIS A 21 -9.914 2.601 3.642 1.00 0.00 O ATOM 248 CB HIS A 21 -10.114 3.533 0.770 1.00 0.00 C ATOM 249 CG HIS A 21 -10.390 4.420 -0.404 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.635 4.533 -0.986 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.573 5.242 -1.104 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.572 5.384 -1.994 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.332 5.829 -2.086 1.00 0.00 N ATOM 0 H HIS A 21 -10.237 5.315 2.695 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.155 3.455 1.435 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.141 3.791 1.189 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.050 2.500 0.427 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.521 5.405 -0.924 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.394 5.668 -2.634 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -9.993 6.500 -2.775 1.00 0.00 H new ATOM 261 N TYR A 22 -11.834 1.601 3.027 1.00 0.00 N ATOM 262 CA TYR A 22 -11.711 0.523 4.001 1.00 0.00 C ATOM 263 C TYR A 22 -11.728 1.070 5.425 1.00 0.00 C ATOM 264 O TYR A 22 -10.925 0.668 6.266 1.00 0.00 O ATOM 265 CB TYR A 22 -10.423 -0.266 3.761 1.00 0.00 C ATOM 266 CG TYR A 22 -10.227 -0.682 2.320 1.00 0.00 C ATOM 267 CD1 TYR A 22 -11.150 -1.499 1.681 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.118 -0.256 1.599 1.00 0.00 C ATOM 269 CE1 TYR A 22 -10.975 -1.883 0.366 1.00 0.00 C ATOM 270 CE2 TYR A 22 -8.936 -0.633 0.282 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.866 -1.447 -0.330 1.00 0.00 C ATOM 272 OH TYR A 22 -9.689 -1.825 -1.641 1.00 0.00 O ATOM 0 H TYR A 22 -12.669 1.550 2.444 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.565 -0.143 3.877 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.572 0.339 4.075 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.430 -1.156 4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -12.020 -1.840 2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.387 0.380 2.076 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.702 -2.521 -0.115 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.070 -0.292 -0.265 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.765 -1.641 -1.913 1.00 0.00 H new ATOM 282 N GLY A 23 -12.651 1.991 5.687 1.00 0.00 N ATOM 283 CA GLY A 23 -12.756 2.579 7.010 1.00 0.00 C ATOM 284 C GLY A 23 -11.501 3.325 7.415 1.00 0.00 C ATOM 285 O GLY A 23 -11.276 3.577 8.598 1.00 0.00 O ATOM 0 H GLY A 23 -13.327 2.340 5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.605 3.263 7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.959 1.794 7.738 1.00 0.00 H new ATOM 289 N GLN A 24 -10.680 3.677 6.431 1.00 0.00 N ATOM 290 CA GLN A 24 -9.439 4.396 6.692 1.00 0.00 C ATOM 291 C GLN A 24 -9.049 5.261 5.498 1.00 0.00 C ATOM 292 O GLN A 24 -9.217 4.859 4.346 1.00 0.00 O ATOM 293 CB GLN A 24 -8.312 3.412 7.014 1.00 0.00 C ATOM 294 CG GLN A 24 -7.265 3.975 7.961 1.00 0.00 C ATOM 295 CD GLN A 24 -7.868 4.524 9.239 1.00 0.00 C ATOM 296 OE1 GLN A 24 -8.448 3.642 10.046 1.00 0.00 O flip ATOM 297 NE2 GLN A 24 -7.815 5.726 9.499 1.00 0.00 N flip ATOM 0 H GLN A 24 -10.852 3.476 5.446 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.600 5.047 7.551 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.741 2.512 7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.826 3.112 6.085 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.547 3.193 8.209 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.712 4.767 7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.360 6.368 8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.226 6.080 10.363 1.00 0.00 H new ATOM 306 N PHE A 25 -8.527 6.450 5.779 1.00 0.00 N ATOM 307 CA PHE A 25 -8.114 7.372 4.728 1.00 0.00 C ATOM 308 C PHE A 25 -6.781 6.944 4.121 1.00 0.00 C ATOM 309 O PHE A 25 -5.730 7.071 4.749 1.00 0.00 O ATOM 310 CB PHE A 25 -8.001 8.794 5.283 1.00 0.00 C ATOM 311 CG PHE A 25 -9.328 9.423 5.596 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.294 9.560 4.613 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.610 9.877 6.875 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.517 10.137 4.898 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.831 10.455 7.166 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.785 10.587 6.176 1.00 0.00 C ATOM 0 H PHE A 25 -8.380 6.798 6.727 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.872 7.354 3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.395 8.775 6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.474 9.417 4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.089 9.212 3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.867 9.778 7.653 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.262 10.236 4.122 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.039 10.803 8.167 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.739 11.041 6.401 1.00 0.00 H new ATOM 326 N THR A 26 -6.833 6.434 2.894 1.00 0.00 N ATOM 327 CA THR A 26 -5.632 5.985 2.202 1.00 0.00 C ATOM 328 C THR A 26 -5.676 6.360 0.725 1.00 0.00 C ATOM 329 O THR A 26 -6.742 6.376 0.109 1.00 0.00 O ATOM 330 CB THR A 26 -5.449 4.460 2.327 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.658 3.789 1.955 1.00 0.00 O ATOM 332 CG2 THR A 26 -5.066 4.076 3.748 1.00 0.00 C ATOM 0 H THR A 26 -7.695 6.322 2.360 1.00 0.00 H new ATOM 0 HA THR A 26 -4.788 6.486 2.676 1.00 0.00 H new ATOM 0 HB THR A 26 -4.645 4.157 1.656 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.044 4.224 1.166 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.942 2.995 3.812 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.130 4.565 4.017 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.851 4.393 4.435 1.00 0.00 H new ATOM 340 N CYS A 27 -4.511 6.662 0.161 1.00 0.00 N ATOM 341 CA CYS A 27 -4.416 7.037 -1.244 1.00 0.00 C ATOM 342 C CYS A 27 -4.828 5.878 -2.146 1.00 0.00 C ATOM 343 O CYS A 27 -4.907 4.732 -1.703 1.00 0.00 O ATOM 344 CB CYS A 27 -2.989 7.477 -1.580 1.00 0.00 C ATOM 345 SG CYS A 27 -1.775 6.120 -1.589 1.00 0.00 S ATOM 0 H CYS A 27 -3.619 6.654 0.656 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.097 7.870 -1.419 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.989 7.956 -2.559 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.672 8.229 -0.857 1.00 0.00 H new ATOM 350 N GLU A 28 -5.089 6.184 -3.413 1.00 0.00 N ATOM 351 CA GLU A 28 -5.493 5.167 -4.377 1.00 0.00 C ATOM 352 C GLU A 28 -4.382 4.142 -4.584 1.00 0.00 C ATOM 353 O GLU A 28 -4.645 2.975 -4.873 1.00 0.00 O ATOM 354 CB GLU A 28 -5.858 5.816 -5.713 1.00 0.00 C ATOM 355 CG GLU A 28 -7.046 6.760 -5.627 1.00 0.00 C ATOM 356 CD GLU A 28 -7.360 7.425 -6.953 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.964 6.876 -8.002 1.00 0.00 O ATOM 358 OE2 GLU A 28 -8.003 8.496 -6.941 1.00 0.00 O ATOM 0 H GLU A 28 -5.028 7.128 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.368 4.653 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.995 6.365 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.078 5.034 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.921 6.207 -5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.843 7.527 -4.879 1.00 0.00 H new ATOM 365 N GLY A 29 -3.138 4.587 -4.434 1.00 0.00 N ATOM 366 CA GLY A 29 -2.006 3.696 -4.609 1.00 0.00 C ATOM 367 C GLY A 29 -1.953 2.611 -3.552 1.00 0.00 C ATOM 368 O GLY A 29 -1.565 1.477 -3.835 1.00 0.00 O ATOM 0 H GLY A 29 -2.894 5.548 -4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.059 3.235 -5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.083 4.275 -4.577 1.00 0.00 H new ATOM 372 N CYS A 30 -2.343 2.958 -2.330 1.00 0.00 N ATOM 373 CA CYS A 30 -2.337 2.006 -1.226 1.00 0.00 C ATOM 374 C CYS A 30 -3.654 1.237 -1.163 1.00 0.00 C ATOM 375 O CYS A 30 -3.673 0.037 -0.889 1.00 0.00 O ATOM 376 CB CYS A 30 -2.094 2.731 0.099 1.00 0.00 C ATOM 377 SG CYS A 30 -0.398 3.366 0.298 1.00 0.00 S ATOM 0 H CYS A 30 -2.667 3.892 -2.079 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.529 1.295 -1.397 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.794 3.563 0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.314 2.049 0.920 1.00 0.00 H new ATOM 382 N LYS A 31 -4.754 1.937 -1.419 1.00 0.00 N ATOM 383 CA LYS A 31 -6.076 1.323 -1.394 1.00 0.00 C ATOM 384 C LYS A 31 -6.088 0.025 -2.195 1.00 0.00 C ATOM 385 O LYS A 31 -6.583 -1.000 -1.726 1.00 0.00 O ATOM 386 CB LYS A 31 -7.121 2.290 -1.954 1.00 0.00 C ATOM 387 CG LYS A 31 -8.461 1.636 -2.244 1.00 0.00 C ATOM 388 CD LYS A 31 -9.179 2.321 -3.395 1.00 0.00 C ATOM 389 CE LYS A 31 -8.526 1.997 -4.730 1.00 0.00 C ATOM 390 NZ LYS A 31 -9.111 2.797 -5.841 1.00 0.00 N ATOM 0 H LYS A 31 -4.756 2.931 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.322 1.092 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.269 3.103 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.737 2.735 -2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.309 0.584 -2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.085 1.672 -1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.222 2.007 -3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.174 3.400 -3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.455 2.191 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.646 0.935 -4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.640 2.548 -6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.128 2.593 -5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.975 3.810 -5.649 1.00 0.00 H new ATOM 404 N SER A 32 -5.539 0.076 -3.404 1.00 0.00 N ATOM 405 CA SER A 32 -5.489 -1.096 -4.271 1.00 0.00 C ATOM 406 C SER A 32 -4.468 -2.107 -3.759 1.00 0.00 C ATOM 407 O SER A 32 -4.789 -3.277 -3.546 1.00 0.00 O ATOM 408 CB SER A 32 -5.141 -0.683 -5.703 1.00 0.00 C ATOM 409 OG SER A 32 -3.868 -0.062 -5.759 1.00 0.00 O ATOM 0 H SER A 32 -5.123 0.916 -3.806 1.00 0.00 H new ATOM 0 HA SER A 32 -6.473 -1.564 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.150 -1.560 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.900 0.001 -6.082 1.00 0.00 H new ATOM 0 HG SER A 32 -3.956 0.886 -5.526 1.00 0.00 H new ATOM 415 N PHE A 33 -3.237 -1.648 -3.563 1.00 0.00 N ATOM 416 CA PHE A 33 -2.167 -2.512 -3.076 1.00 0.00 C ATOM 417 C PHE A 33 -2.641 -3.350 -1.892 1.00 0.00 C ATOM 418 O PHE A 33 -2.263 -4.513 -1.750 1.00 0.00 O ATOM 419 CB PHE A 33 -0.952 -1.675 -2.670 1.00 0.00 C ATOM 420 CG PHE A 33 0.081 -2.451 -1.904 1.00 0.00 C ATOM 421 CD1 PHE A 33 -0.144 -2.815 -0.586 1.00 0.00 C ATOM 422 CD2 PHE A 33 1.276 -2.816 -2.501 1.00 0.00 C ATOM 423 CE1 PHE A 33 0.804 -3.529 0.122 1.00 0.00 C ATOM 424 CE2 PHE A 33 2.228 -3.530 -1.798 1.00 0.00 C ATOM 425 CZ PHE A 33 1.992 -3.886 -0.485 1.00 0.00 C ATOM 0 H PHE A 33 -2.955 -0.683 -3.734 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.881 -3.186 -3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.492 -1.259 -3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.287 -0.834 -2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.071 -2.537 -0.106 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.466 -2.540 -3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.616 -3.807 1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.156 -3.809 -2.275 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.735 -4.443 0.066 1.00 0.00 H new ATOM 435 N PHE A 34 -3.470 -2.750 -1.045 1.00 0.00 N ATOM 436 CA PHE A 34 -3.995 -3.439 0.128 1.00 0.00 C ATOM 437 C PHE A 34 -4.935 -4.569 -0.280 1.00 0.00 C ATOM 438 O PHE A 34 -4.795 -5.704 0.176 1.00 0.00 O ATOM 439 CB PHE A 34 -4.730 -2.453 1.039 1.00 0.00 C ATOM 440 CG PHE A 34 -5.393 -3.106 2.218 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.647 -3.827 3.137 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.761 -3.000 2.407 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.254 -4.429 4.224 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.373 -3.599 3.492 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.619 -4.315 4.401 1.00 0.00 C ATOM 0 H PHE A 34 -3.793 -1.788 -1.149 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.154 -3.868 0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.022 -1.706 1.398 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.484 -1.924 0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.579 -3.920 3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.356 -2.443 1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.661 -4.988 4.934 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.440 -3.507 3.629 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.096 -4.785 5.249 1.00 0.00 H new ATOM 455 N LYS A 35 -5.894 -4.251 -1.143 1.00 0.00 N ATOM 456 CA LYS A 35 -6.858 -5.237 -1.615 1.00 0.00 C ATOM 457 C LYS A 35 -6.156 -6.376 -2.348 1.00 0.00 C ATOM 458 O LYS A 35 -6.192 -7.525 -1.908 1.00 0.00 O ATOM 459 CB LYS A 35 -7.883 -4.577 -2.539 1.00 0.00 C ATOM 460 CG LYS A 35 -8.609 -5.559 -3.443 1.00 0.00 C ATOM 461 CD LYS A 35 -9.279 -4.853 -4.609 1.00 0.00 C ATOM 462 CE LYS A 35 -8.318 -4.663 -5.773 1.00 0.00 C ATOM 463 NZ LYS A 35 -8.963 -3.962 -6.917 1.00 0.00 N ATOM 0 H LYS A 35 -6.024 -3.316 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.373 -5.649 -0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.616 -4.044 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.378 -3.834 -3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.902 -6.298 -3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.358 -6.101 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.142 -5.432 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.652 -3.883 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.452 -4.092 -5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.951 -5.635 -6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.275 -3.852 -7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.774 -4.519 -7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.291 -3.024 -6.609 1.00 0.00 H new ATOM 477 N ARG A 36 -5.518 -6.049 -3.467 1.00 0.00 N ATOM 478 CA ARG A 36 -4.807 -7.045 -4.260 1.00 0.00 C ATOM 479 C ARG A 36 -4.129 -8.074 -3.360 1.00 0.00 C ATOM 480 O ARG A 36 -3.938 -9.226 -3.751 1.00 0.00 O ATOM 481 CB ARG A 36 -3.766 -6.369 -5.153 1.00 0.00 C ATOM 482 CG ARG A 36 -2.512 -5.939 -4.410 1.00 0.00 C ATOM 483 CD ARG A 36 -1.344 -5.733 -5.361 1.00 0.00 C ATOM 484 NE ARG A 36 -0.068 -5.662 -4.654 1.00 0.00 N ATOM 485 CZ ARG A 36 1.108 -5.868 -5.237 1.00 0.00 C ATOM 486 NH1 ARG A 36 1.169 -6.154 -6.530 1.00 0.00 N ATOM 487 NH2 ARG A 36 2.226 -5.786 -4.526 1.00 0.00 N ATOM 0 H ARG A 36 -5.479 -5.102 -3.845 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.535 -7.560 -4.887 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.487 -7.054 -5.953 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.216 -5.495 -5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.708 -5.014 -3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.250 -6.694 -3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.314 -6.551 -6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.496 -4.814 -5.928 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.080 -5.442 -3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.312 -6.216 -7.080 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.073 -6.312 -6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.183 -5.565 -3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.128 -5.944 -4.974 1.00 0.00 H new ATOM 501 N SER A 37 -3.768 -7.650 -2.153 1.00 0.00 N ATOM 502 CA SER A 37 -3.107 -8.534 -1.199 1.00 0.00 C ATOM 503 C SER A 37 -4.115 -9.127 -0.220 1.00 0.00 C ATOM 504 O SER A 37 -3.988 -10.278 0.199 1.00 0.00 O ATOM 505 CB SER A 37 -2.023 -7.773 -0.434 1.00 0.00 C ATOM 506 OG SER A 37 -2.590 -6.772 0.395 1.00 0.00 O ATOM 0 H SER A 37 -3.922 -6.701 -1.812 1.00 0.00 H new ATOM 0 HA SER A 37 -2.645 -9.349 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.446 -8.469 0.174 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.329 -7.315 -1.139 1.00 0.00 H new ATOM 0 HG SER A 37 -3.370 -6.380 -0.051 1.00 0.00 H new ATOM 512 N VAL A 38 -5.118 -8.332 0.142 1.00 0.00 N ATOM 513 CA VAL A 38 -6.149 -8.778 1.071 1.00 0.00 C ATOM 514 C VAL A 38 -7.121 -9.738 0.394 1.00 0.00 C ATOM 515 O VAL A 38 -7.320 -10.863 0.855 1.00 0.00 O ATOM 516 CB VAL A 38 -6.939 -7.587 1.646 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.115 -8.077 2.477 1.00 0.00 C ATOM 518 CG2 VAL A 38 -6.027 -6.693 2.472 1.00 0.00 C ATOM 0 H VAL A 38 -5.238 -7.376 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.640 -9.294 1.885 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.332 -6.999 0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.661 -7.222 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.780 -8.673 1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.748 -8.689 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.601 -5.857 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.603 -7.267 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.222 -6.313 1.842 1.00 0.00 H new ATOM 528 N ARG A 39 -7.723 -9.288 -0.701 1.00 0.00 N ATOM 529 CA ARG A 39 -8.675 -10.108 -1.442 1.00 0.00 C ATOM 530 C ARG A 39 -8.012 -11.384 -1.951 1.00 0.00 C ATOM 531 O ARG A 39 -8.680 -12.391 -2.186 1.00 0.00 O ATOM 532 CB ARG A 39 -9.255 -9.318 -2.616 1.00 0.00 C ATOM 533 CG ARG A 39 -8.241 -9.016 -3.707 1.00 0.00 C ATOM 534 CD ARG A 39 -8.193 -10.125 -4.746 1.00 0.00 C ATOM 535 NE ARG A 39 -9.485 -10.319 -5.400 1.00 0.00 N ATOM 536 CZ ARG A 39 -9.838 -11.444 -6.012 1.00 0.00 C ATOM 537 NH1 ARG A 39 -9.000 -12.471 -6.052 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.031 -11.543 -6.584 1.00 0.00 N ATOM 0 H ARG A 39 -7.569 -8.360 -1.095 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.483 -10.384 -0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.083 -9.880 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.666 -8.380 -2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.496 -8.073 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.254 -8.889 -3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.439 -9.886 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.885 -11.055 -4.269 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.153 -9.548 -5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.083 -12.398 -5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.273 -13.334 -6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.678 -10.755 -6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.301 -12.407 -7.054 1.00 0.00 H new ATOM 552 N ARG A 40 -6.695 -11.334 -2.120 1.00 0.00 N ATOM 553 CA ARG A 40 -5.942 -12.485 -2.603 1.00 0.00 C ATOM 554 C ARG A 40 -5.315 -13.251 -1.442 1.00 0.00 C ATOM 555 O ARG A 40 -4.929 -14.410 -1.587 1.00 0.00 O ATOM 556 CB ARG A 40 -4.853 -12.036 -3.579 1.00 0.00 C ATOM 557 CG ARG A 40 -5.397 -11.446 -4.870 1.00 0.00 C ATOM 558 CD ARG A 40 -4.436 -11.659 -6.028 1.00 0.00 C ATOM 559 NE ARG A 40 -4.795 -10.854 -7.193 1.00 0.00 N ATOM 560 CZ ARG A 40 -4.464 -11.174 -8.439 1.00 0.00 C ATOM 561 NH1 ARG A 40 -3.769 -12.277 -8.680 1.00 0.00 N ATOM 562 NH2 ARG A 40 -4.828 -10.391 -9.446 1.00 0.00 N ATOM 0 H ARG A 40 -6.127 -10.508 -1.930 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.634 -13.148 -3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.221 -11.295 -3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.218 -12.889 -3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.358 -11.904 -5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.577 -10.379 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.424 -11.406 -5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.429 -12.713 -6.304 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.330 -9.999 -7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.488 -12.881 -7.908 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.516 -12.521 -9.637 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.363 -9.542 -9.264 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.573 -10.638 -10.402 1.00 0.00 H new ATOM 576 N ASN A 41 -5.218 -12.595 -0.291 1.00 0.00 N ATOM 577 CA ASN A 41 -4.637 -13.213 0.896 1.00 0.00 C ATOM 578 C ASN A 41 -3.154 -13.508 0.685 1.00 0.00 C ATOM 579 O ASN A 41 -2.702 -14.638 0.870 1.00 0.00 O ATOM 580 CB ASN A 41 -5.381 -14.505 1.239 1.00 0.00 C ATOM 581 CG ASN A 41 -6.883 -14.364 1.090 1.00 0.00 C ATOM 582 OD1 ASN A 41 -7.397 -14.213 -0.019 1.00 0.00 O ATOM 583 ND2 ASN A 41 -7.596 -14.413 2.209 1.00 0.00 N ATOM 0 H ASN A 41 -5.534 -11.635 -0.154 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.736 -12.513 1.726 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.028 -15.307 0.591 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.146 -14.796 2.263 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.611 -14.324 2.171 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.128 -14.540 3.107 1.00 0.00 H new ATOM 590 N LEU A 42 -2.403 -12.483 0.298 1.00 0.00 N ATOM 591 CA LEU A 42 -0.971 -12.630 0.062 1.00 0.00 C ATOM 592 C LEU A 42 -0.174 -12.283 1.316 1.00 0.00 C ATOM 593 O LEU A 42 -0.532 -11.369 2.059 1.00 0.00 O ATOM 594 CB LEU A 42 -0.530 -11.738 -1.099 1.00 0.00 C ATOM 595 CG LEU A 42 -1.417 -11.771 -2.344 1.00 0.00 C ATOM 596 CD1 LEU A 42 -0.925 -10.769 -3.377 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.457 -13.173 -2.935 1.00 0.00 C ATOM 0 H LEU A 42 -2.762 -11.541 0.141 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.776 -13.671 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.478 -10.710 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.480 -12.026 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.430 -11.493 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.569 -10.807 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.950 -9.766 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.097 -11.015 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.093 -13.177 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.448 -13.480 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.858 -13.868 -2.197 1.00 0.00 H new ATOM 609 N THR A 43 0.910 -13.017 1.544 1.00 0.00 N ATOM 610 CA THR A 43 1.759 -12.786 2.707 1.00 0.00 C ATOM 611 C THR A 43 3.212 -12.581 2.295 1.00 0.00 C ATOM 612 O THR A 43 3.997 -13.529 2.261 1.00 0.00 O ATOM 613 CB THR A 43 1.680 -13.959 3.702 1.00 0.00 C ATOM 614 OG1 THR A 43 0.323 -14.161 4.115 1.00 0.00 O ATOM 615 CG2 THR A 43 2.552 -13.695 4.920 1.00 0.00 C ATOM 0 H THR A 43 1.221 -13.777 0.939 1.00 0.00 H new ATOM 0 HA THR A 43 1.391 -11.882 3.192 1.00 0.00 H new ATOM 0 HB THR A 43 2.044 -14.856 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.281 -14.910 4.746 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.480 -14.537 5.608 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.588 -13.571 4.606 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.213 -12.788 5.420 1.00 0.00 H new ATOM 623 N TYR A 44 3.564 -11.339 1.983 1.00 0.00 N ATOM 624 CA TYR A 44 4.924 -11.010 1.571 1.00 0.00 C ATOM 625 C TYR A 44 5.923 -11.345 2.675 1.00 0.00 C ATOM 626 O TYR A 44 5.599 -11.288 3.861 1.00 0.00 O ATOM 627 CB TYR A 44 5.025 -9.528 1.208 1.00 0.00 C ATOM 628 CG TYR A 44 3.883 -9.036 0.348 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.848 -9.303 -1.015 1.00 0.00 C ATOM 630 CD2 TYR A 44 2.839 -8.303 0.898 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.807 -8.855 -1.805 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.793 -7.852 0.116 1.00 0.00 C ATOM 633 CZ TYR A 44 1.782 -8.130 -1.234 1.00 0.00 C ATOM 634 OH TYR A 44 0.743 -7.682 -2.017 1.00 0.00 O ATOM 0 H TYR A 44 2.927 -10.543 2.007 1.00 0.00 H new ATOM 0 HA TYR A 44 5.166 -11.609 0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.058 -8.939 2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.965 -9.354 0.684 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.649 -9.871 -1.465 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.845 -8.082 1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.796 -9.071 -2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.988 -7.285 0.560 1.00 0.00 H new ATOM 0 HH TYR A 44 0.755 -8.152 -2.877 1.00 0.00 H new ATOM 644 N THR A 45 7.142 -11.694 2.275 1.00 0.00 N ATOM 645 CA THR A 45 8.189 -12.038 3.227 1.00 0.00 C ATOM 646 C THR A 45 9.214 -10.916 3.347 1.00 0.00 C ATOM 647 O THR A 45 10.107 -10.785 2.509 1.00 0.00 O ATOM 648 CB THR A 45 8.912 -13.337 2.823 1.00 0.00 C ATOM 649 OG1 THR A 45 8.041 -14.459 3.004 1.00 0.00 O ATOM 650 CG2 THR A 45 10.176 -13.532 3.646 1.00 0.00 C ATOM 0 H THR A 45 7.428 -11.746 1.297 1.00 0.00 H new ATOM 0 HA THR A 45 7.702 -12.187 4.191 1.00 0.00 H new ATOM 0 HB THR A 45 9.191 -13.259 1.772 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.507 -15.281 2.743 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.669 -14.456 3.343 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.850 -12.691 3.483 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.917 -13.590 4.703 1.00 0.00 H new ATOM 658 N CYS A 46 9.081 -10.109 4.394 1.00 0.00 N ATOM 659 CA CYS A 46 9.996 -8.997 4.624 1.00 0.00 C ATOM 660 C CYS A 46 11.432 -9.493 4.760 1.00 0.00 C ATOM 661 O CYS A 46 11.785 -10.142 5.745 1.00 0.00 O ATOM 662 CB CYS A 46 9.590 -8.227 5.882 1.00 0.00 C ATOM 663 SG CYS A 46 10.636 -6.779 6.238 1.00 0.00 S ATOM 0 H CYS A 46 8.348 -10.204 5.097 1.00 0.00 H new ATOM 0 HA CYS A 46 9.941 -8.330 3.764 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.556 -7.898 5.776 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.623 -8.904 6.736 1.00 0.00 H new ATOM 668 N ARG A 47 12.256 -9.184 3.764 1.00 0.00 N ATOM 669 CA ARG A 47 13.654 -9.599 3.771 1.00 0.00 C ATOM 670 C ARG A 47 14.495 -8.660 4.631 1.00 0.00 C ATOM 671 O ARG A 47 15.717 -8.608 4.496 1.00 0.00 O ATOM 672 CB ARG A 47 14.205 -9.633 2.345 1.00 0.00 C ATOM 673 CG ARG A 47 14.227 -8.273 1.667 1.00 0.00 C ATOM 674 CD ARG A 47 13.021 -8.083 0.760 1.00 0.00 C ATOM 675 NE ARG A 47 13.230 -7.012 -0.211 1.00 0.00 N ATOM 676 CZ ARG A 47 12.244 -6.420 -0.875 1.00 0.00 C ATOM 677 NH1 ARG A 47 10.988 -6.791 -0.673 1.00 0.00 N ATOM 678 NH2 ARG A 47 12.515 -5.453 -1.743 1.00 0.00 N ATOM 0 H ARG A 47 11.980 -8.648 2.942 1.00 0.00 H new ATOM 0 HA ARG A 47 13.708 -10.601 4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.218 -10.035 2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.602 -10.317 1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.242 -7.488 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.142 -8.171 1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.813 -9.014 0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.144 -7.857 1.366 1.00 0.00 H new ATOM 0 HE ARG A 47 14.185 -6.702 -0.389 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.776 -7.533 -0.006 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.233 -6.334 -1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.481 -5.165 -1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.758 -4.998 -2.253 1.00 0.00 H new ATOM 692 N ALA A 48 13.832 -7.920 5.513 1.00 0.00 N ATOM 693 CA ALA A 48 14.519 -6.985 6.395 1.00 0.00 C ATOM 694 C ALA A 48 14.032 -7.128 7.833 1.00 0.00 C ATOM 695 O ALA A 48 13.280 -8.047 8.155 1.00 0.00 O ATOM 696 CB ALA A 48 14.320 -5.557 5.908 1.00 0.00 C ATOM 0 H ALA A 48 12.820 -7.950 5.636 1.00 0.00 H new ATOM 0 HA ALA A 48 15.583 -7.219 6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.838 -4.869 6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.723 -5.457 4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.256 -5.321 5.899 1.00 0.00 H new ATOM 702 N ASN A 49 14.466 -6.213 8.694 1.00 0.00 N ATOM 703 CA ASN A 49 14.075 -6.239 10.099 1.00 0.00 C ATOM 704 C ASN A 49 12.672 -5.667 10.283 1.00 0.00 C ATOM 705 O ASN A 49 12.411 -4.931 11.235 1.00 0.00 O ATOM 706 CB ASN A 49 15.075 -5.446 10.943 1.00 0.00 C ATOM 707 CG ASN A 49 16.512 -5.718 10.542 1.00 0.00 C ATOM 708 OD1 ASN A 49 17.270 -4.795 10.243 1.00 0.00 O ATOM 709 ND2 ASN A 49 16.894 -6.990 10.535 1.00 0.00 N ATOM 0 H ASN A 49 15.088 -5.445 8.444 1.00 0.00 H new ATOM 0 HA ASN A 49 14.072 -7.277 10.431 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.868 -4.381 10.842 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.940 -5.699 11.995 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.849 -7.234 10.275 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.232 -7.723 10.790 1.00 0.00 H new ATOM 716 N ARG A 50 11.774 -6.012 9.367 1.00 0.00 N ATOM 717 CA ARG A 50 10.398 -5.533 9.428 1.00 0.00 C ATOM 718 C ARG A 50 10.346 -4.089 9.918 1.00 0.00 C ATOM 719 O ARG A 50 9.380 -3.674 10.556 1.00 0.00 O ATOM 720 CB ARG A 50 9.565 -6.426 10.349 1.00 0.00 C ATOM 721 CG ARG A 50 9.438 -7.858 9.858 1.00 0.00 C ATOM 722 CD ARG A 50 9.145 -8.816 11.002 1.00 0.00 C ATOM 723 NE ARG A 50 10.224 -8.841 11.985 1.00 0.00 N ATOM 724 CZ ARG A 50 10.421 -9.842 12.836 1.00 0.00 C ATOM 725 NH1 ARG A 50 9.614 -10.894 12.824 1.00 0.00 N ATOM 726 NH2 ARG A 50 11.425 -9.791 13.701 1.00 0.00 N ATOM 0 H ARG A 50 11.974 -6.621 8.574 1.00 0.00 H new ATOM 0 HA ARG A 50 9.981 -5.572 8.422 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.015 -6.430 11.342 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.568 -5.997 10.453 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.641 -7.920 9.117 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.361 -8.156 9.360 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.216 -8.523 11.491 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.993 -9.820 10.605 1.00 0.00 H new ATOM 0 HE ARG A 50 10.862 -8.046 12.020 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.840 -10.936 12.161 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.767 -11.662 13.478 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.047 -8.983 13.713 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.575 -10.560 14.354 1.00 0.00 H new ATOM 740 N ASN A 51 11.393 -3.328 9.614 1.00 0.00 N ATOM 741 CA ASN A 51 11.467 -1.931 10.025 1.00 0.00 C ATOM 742 C ASN A 51 11.590 -1.014 8.812 1.00 0.00 C ATOM 743 O ASN A 51 11.924 0.164 8.942 1.00 0.00 O ATOM 744 CB ASN A 51 12.656 -1.716 10.963 1.00 0.00 C ATOM 745 CG ASN A 51 13.954 -1.495 10.211 1.00 0.00 C ATOM 746 OD1 ASN A 51 14.612 -2.448 9.792 1.00 0.00 O ATOM 747 ND2 ASN A 51 14.330 -0.233 10.037 1.00 0.00 N ATOM 0 H ASN A 51 12.201 -3.655 9.085 1.00 0.00 H new ATOM 0 HA ASN A 51 10.546 -1.684 10.554 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.459 -0.856 11.603 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.761 -2.582 11.616 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.195 -0.023 9.539 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.754 0.526 10.401 1.00 0.00 H new ATOM 754 N CYS A 52 11.317 -1.562 7.633 1.00 0.00 N ATOM 755 CA CYS A 52 11.396 -0.794 6.396 1.00 0.00 C ATOM 756 C CYS A 52 10.472 0.419 6.448 1.00 0.00 C ATOM 757 O CYS A 52 9.290 0.316 6.779 1.00 0.00 O ATOM 758 CB CYS A 52 11.032 -1.676 5.200 1.00 0.00 C ATOM 759 SG CYS A 52 11.765 -3.343 5.254 1.00 0.00 S ATOM 0 H CYS A 52 11.039 -2.535 7.508 1.00 0.00 H new ATOM 0 HA CYS A 52 12.421 -0.442 6.281 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.947 -1.769 5.148 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.353 -1.179 4.285 1.00 0.00 H new ATOM 764 N PRO A 53 11.021 1.596 6.113 1.00 0.00 N ATOM 765 CA PRO A 53 10.263 2.851 6.113 1.00 0.00 C ATOM 766 C PRO A 53 9.229 2.904 4.994 1.00 0.00 C ATOM 767 O PRO A 53 9.579 2.958 3.815 1.00 0.00 O ATOM 768 CB PRO A 53 11.341 3.916 5.896 1.00 0.00 C ATOM 769 CG PRO A 53 12.441 3.203 5.187 1.00 0.00 C ATOM 770 CD PRO A 53 12.423 1.792 5.708 1.00 0.00 C ATOM 0 HA PRO A 53 9.693 2.983 7.033 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.962 4.748 5.303 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.684 4.331 6.844 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.287 3.223 4.108 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.403 3.678 5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.724 1.077 4.942 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.106 1.665 6.548 1.00 0.00 H new ATOM 778 N ILE A 54 7.955 2.889 5.371 1.00 0.00 N ATOM 779 CA ILE A 54 6.870 2.936 4.398 1.00 0.00 C ATOM 780 C ILE A 54 6.356 4.361 4.218 1.00 0.00 C ATOM 781 O ILE A 54 5.563 4.851 5.022 1.00 0.00 O ATOM 782 CB ILE A 54 5.699 2.028 4.816 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.195 0.603 5.068 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.615 2.037 3.748 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.749 -0.072 3.833 1.00 0.00 C ATOM 0 H ILE A 54 7.649 2.845 6.343 1.00 0.00 H new ATOM 0 HA ILE A 54 7.277 2.577 3.453 1.00 0.00 H new ATOM 0 HB ILE A 54 5.272 2.413 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.968 0.627 5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.373 0.005 5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.794 1.391 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.246 3.054 3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.028 1.673 2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.082 -1.079 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.973 -0.128 3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.592 0.503 3.451 1.00 0.00 H new ATOM 797 N ASP A 55 6.811 5.018 3.157 1.00 0.00 N ATOM 798 CA ASP A 55 6.395 6.386 2.869 1.00 0.00 C ATOM 799 C ASP A 55 5.989 6.533 1.406 1.00 0.00 C ATOM 800 O ASP A 55 6.002 5.564 0.648 1.00 0.00 O ATOM 801 CB ASP A 55 7.522 7.365 3.200 1.00 0.00 C ATOM 802 CG ASP A 55 7.464 7.851 4.635 1.00 0.00 C ATOM 803 OD1 ASP A 55 7.065 7.059 5.514 1.00 0.00 O ATOM 804 OD2 ASP A 55 7.819 9.023 4.878 1.00 0.00 O ATOM 0 H ASP A 55 7.468 4.626 2.482 1.00 0.00 H new ATOM 0 HA ASP A 55 5.531 6.616 3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.483 6.882 3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.465 8.221 2.527 1.00 0.00 H new ATOM 809 N GLN A 56 5.628 7.752 1.017 1.00 0.00 N ATOM 810 CA GLN A 56 5.217 8.025 -0.355 1.00 0.00 C ATOM 811 C GLN A 56 6.420 8.373 -1.225 1.00 0.00 C ATOM 812 O GLN A 56 6.629 7.775 -2.281 1.00 0.00 O ATOM 813 CB GLN A 56 4.202 9.169 -0.387 1.00 0.00 C ATOM 814 CG GLN A 56 4.078 9.835 -1.748 1.00 0.00 C ATOM 815 CD GLN A 56 3.908 8.834 -2.874 1.00 0.00 C ATOM 816 OE1 GLN A 56 3.071 7.828 -2.649 1.00 0.00 O flip ATOM 817 NE2 GLN A 56 4.520 8.965 -3.934 1.00 0.00 N flip ATOM 0 H GLN A 56 5.612 8.565 1.632 1.00 0.00 H new ATOM 0 HA GLN A 56 4.752 7.124 -0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.226 8.786 -0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.489 9.919 0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.226 10.515 -1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.966 10.439 -1.935 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.153 9.754 -4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.394 8.285 -4.683 1.00 0.00 H new ATOM 826 N HIS A 57 7.209 9.343 -0.775 1.00 0.00 N ATOM 827 CA HIS A 57 8.393 9.770 -1.513 1.00 0.00 C ATOM 828 C HIS A 57 9.630 9.015 -1.039 1.00 0.00 C ATOM 829 O HIS A 57 10.660 9.618 -0.734 1.00 0.00 O ATOM 830 CB HIS A 57 8.606 11.275 -1.350 1.00 0.00 C ATOM 831 CG HIS A 57 7.341 12.072 -1.441 1.00 0.00 C ATOM 832 ND1 HIS A 57 6.227 12.055 -0.673 1.00 0.00 N flip ATOM 833 CD2 HIS A 57 7.119 13.022 -2.415 1.00 0.00 C flip ATOM 834 CE1 HIS A 57 5.361 12.987 -1.191 1.00 0.00 C flip ATOM 835 NE2 HIS A 57 5.923 13.557 -2.241 1.00 0.00 N flip ATOM 0 H HIS A 57 7.050 9.848 0.097 1.00 0.00 H new ATOM 0 HA HIS A 57 8.234 9.545 -2.568 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.077 11.465 -0.385 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.300 11.621 -2.117 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.814 13.288 -3.198 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.380 13.216 -0.802 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.505 14.286 -2.819 1.00 0.00 H new ATOM 843 N HIS A 58 9.523 7.691 -0.978 1.00 0.00 N ATOM 844 CA HIS A 58 10.634 6.854 -0.540 1.00 0.00 C ATOM 845 C HIS A 58 10.907 5.742 -1.549 1.00 0.00 C ATOM 846 O HIS A 58 10.035 5.381 -2.340 1.00 0.00 O ATOM 847 CB HIS A 58 10.336 6.250 0.833 1.00 0.00 C ATOM 848 CG HIS A 58 10.798 7.102 1.975 1.00 0.00 C ATOM 849 ND1 HIS A 58 10.423 8.344 2.361 1.00 0.00 N flip ATOM 850 CD2 HIS A 58 11.763 6.698 2.873 1.00 0.00 C flip ATOM 851 CE1 HIS A 58 11.160 8.664 3.475 1.00 0.00 C flip ATOM 852 NE2 HIS A 58 11.961 7.653 3.763 1.00 0.00 N flip ATOM 0 H HIS A 58 8.679 7.175 -1.226 1.00 0.00 H new ATOM 0 HA HIS A 58 11.522 7.482 -0.467 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.262 6.086 0.924 1.00 0.00 H new ATOM 0 HB3 HIS A 58 10.814 5.273 0.903 1.00 0.00 H new ATOM 0 HD2 HIS A 58 12.277 5.748 2.852 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.095 9.591 4.026 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.620 7.617 4.541 1.00 0.00 H new ATOM 860 N ARG A 59 12.121 5.203 -1.515 1.00 0.00 N ATOM 861 CA ARG A 59 12.509 4.135 -2.428 1.00 0.00 C ATOM 862 C ARG A 59 11.572 2.938 -2.293 1.00 0.00 C ATOM 863 O ARG A 59 10.613 2.972 -1.522 1.00 0.00 O ATOM 864 CB ARG A 59 13.950 3.700 -2.156 1.00 0.00 C ATOM 865 CG ARG A 59 14.989 4.577 -2.835 1.00 0.00 C ATOM 866 CD ARG A 59 15.008 4.355 -4.339 1.00 0.00 C ATOM 867 NE ARG A 59 15.436 3.003 -4.687 1.00 0.00 N ATOM 868 CZ ARG A 59 15.456 2.536 -5.931 1.00 0.00 C ATOM 869 NH1 ARG A 59 15.076 3.309 -6.939 1.00 0.00 N ATOM 870 NH2 ARG A 59 15.858 1.294 -6.168 1.00 0.00 N ATOM 0 H ARG A 59 12.853 5.489 -0.865 1.00 0.00 H new ATOM 0 HA ARG A 59 12.438 4.518 -3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 59 14.126 3.709 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.080 2.671 -2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.777 5.625 -2.623 1.00 0.00 H new ATOM 0 HG3 ARG A 59 15.974 4.362 -2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.013 4.536 -4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.678 5.078 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 59 15.736 2.383 -3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.767 4.265 -6.761 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.092 2.948 -7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.152 0.697 -5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.873 0.936 -7.123 1.00 0.00 H new ATOM 884 N ASN A 60 11.856 1.882 -3.048 1.00 0.00 N ATOM 885 CA ASN A 60 11.037 0.675 -3.014 1.00 0.00 C ATOM 886 C ASN A 60 10.503 0.420 -1.608 1.00 0.00 C ATOM 887 O ASN A 60 11.250 0.031 -0.711 1.00 0.00 O ATOM 888 CB ASN A 60 11.850 -0.531 -3.489 1.00 0.00 C ATOM 889 CG ASN A 60 11.061 -1.824 -3.418 1.00 0.00 C ATOM 890 OD1 ASN A 60 11.308 -2.669 -2.558 1.00 0.00 O ATOM 891 ND2 ASN A 60 10.106 -1.984 -4.327 1.00 0.00 N ATOM 0 H ASN A 60 12.647 1.837 -3.691 1.00 0.00 H new ATOM 0 HA ASN A 60 10.190 0.821 -3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.177 -0.364 -4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.749 -0.623 -2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.543 -2.834 -4.330 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.936 -1.257 -5.022 1.00 0.00 H new ATOM 898 N GLN A 61 9.205 0.642 -1.425 1.00 0.00 N ATOM 899 CA GLN A 61 8.571 0.436 -0.128 1.00 0.00 C ATOM 900 C GLN A 61 8.312 -1.045 0.122 1.00 0.00 C ATOM 901 O GLN A 61 7.532 -1.679 -0.590 1.00 0.00 O ATOM 902 CB GLN A 61 7.258 1.217 -0.049 1.00 0.00 C ATOM 903 CG GLN A 61 7.422 2.709 -0.288 1.00 0.00 C ATOM 904 CD GLN A 61 6.121 3.384 -0.677 1.00 0.00 C ATOM 905 OE1 GLN A 61 6.041 4.054 -1.707 1.00 0.00 O ATOM 906 NE2 GLN A 61 5.094 3.211 0.147 1.00 0.00 N ATOM 0 H GLN A 61 8.573 0.964 -2.158 1.00 0.00 H new ATOM 0 HA GLN A 61 9.250 0.802 0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.561 0.814 -0.784 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.811 1.062 0.933 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.814 3.177 0.615 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.159 2.868 -1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.206 2.647 0.990 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.194 3.642 -0.063 1.00 0.00 H new ATOM 915 N CYS A 62 8.970 -1.593 1.138 1.00 0.00 N ATOM 916 CA CYS A 62 8.812 -3.001 1.482 1.00 0.00 C ATOM 917 C CYS A 62 7.371 -3.454 1.270 1.00 0.00 C ATOM 918 O CYS A 62 6.432 -2.683 1.468 1.00 0.00 O ATOM 919 CB CYS A 62 9.226 -3.242 2.936 1.00 0.00 C ATOM 920 SG CYS A 62 8.861 -4.920 3.544 1.00 0.00 S ATOM 0 H CYS A 62 9.618 -1.083 1.738 1.00 0.00 H new ATOM 0 HA CYS A 62 9.458 -3.585 0.826 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.296 -3.056 3.034 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.717 -2.518 3.572 1.00 0.00 H new ATOM 925 N GLN A 63 7.204 -4.710 0.868 1.00 0.00 N ATOM 926 CA GLN A 63 5.877 -5.265 0.629 1.00 0.00 C ATOM 927 C GLN A 63 5.183 -5.602 1.945 1.00 0.00 C ATOM 928 O GLN A 63 4.141 -5.035 2.272 1.00 0.00 O ATOM 929 CB GLN A 63 5.975 -6.517 -0.245 1.00 0.00 C ATOM 930 CG GLN A 63 6.396 -6.228 -1.676 1.00 0.00 C ATOM 931 CD GLN A 63 6.936 -7.455 -2.385 1.00 0.00 C ATOM 932 OE1 GLN A 63 7.454 -8.374 -1.751 1.00 0.00 O ATOM 933 NE2 GLN A 63 6.817 -7.475 -3.707 1.00 0.00 N ATOM 0 H GLN A 63 7.971 -5.362 0.701 1.00 0.00 H new ATOM 0 HA GLN A 63 5.284 -4.513 0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.690 -7.208 0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.008 -7.020 -0.254 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.542 -5.839 -2.230 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.158 -5.448 -1.676 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.380 -6.691 -4.192 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.162 -8.275 -4.238 1.00 0.00 H new ATOM 942 N TYR A 64 5.768 -6.529 2.696 1.00 0.00 N ATOM 943 CA TYR A 64 5.204 -6.944 3.975 1.00 0.00 C ATOM 944 C TYR A 64 4.946 -5.738 4.873 1.00 0.00 C ATOM 945 O TYR A 64 3.799 -5.412 5.181 1.00 0.00 O ATOM 946 CB TYR A 64 6.145 -7.925 4.677 1.00 0.00 C ATOM 947 CG TYR A 64 5.959 -7.975 6.176 1.00 0.00 C ATOM 948 CD1 TYR A 64 6.645 -7.101 7.011 1.00 0.00 C ATOM 949 CD2 TYR A 64 5.096 -8.895 6.759 1.00 0.00 C ATOM 950 CE1 TYR A 64 6.479 -7.143 8.381 1.00 0.00 C ATOM 951 CE2 TYR A 64 4.922 -8.944 8.129 1.00 0.00 C ATOM 952 CZ TYR A 64 5.616 -8.066 8.936 1.00 0.00 C ATOM 953 OH TYR A 64 5.447 -8.111 10.301 1.00 0.00 O ATOM 0 H TYR A 64 6.632 -7.007 2.441 1.00 0.00 H new ATOM 0 HA TYR A 64 4.253 -7.440 3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.988 -8.923 4.266 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.176 -7.648 4.456 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.320 -6.376 6.581 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.552 -9.584 6.130 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.022 -6.457 9.015 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.247 -9.665 8.565 1.00 0.00 H new ATOM 0 HH TYR A 64 4.805 -8.816 10.528 1.00 0.00 H new ATOM 963 N CYS A 65 6.022 -5.079 5.291 1.00 0.00 N ATOM 964 CA CYS A 65 5.915 -3.908 6.153 1.00 0.00 C ATOM 965 C CYS A 65 4.727 -3.040 5.748 1.00 0.00 C ATOM 966 O CYS A 65 3.926 -2.634 6.590 1.00 0.00 O ATOM 967 CB CYS A 65 7.205 -3.087 6.096 1.00 0.00 C ATOM 968 SG CYS A 65 8.576 -3.786 7.071 1.00 0.00 S ATOM 0 H CYS A 65 6.978 -5.336 5.046 1.00 0.00 H new ATOM 0 HA CYS A 65 5.757 -4.253 7.175 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.521 -2.999 5.057 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.997 -2.078 6.453 1.00 0.00 H new ATOM 973 N ARG A 66 4.621 -2.760 4.453 1.00 0.00 N ATOM 974 CA ARG A 66 3.532 -1.940 3.936 1.00 0.00 C ATOM 975 C ARG A 66 2.186 -2.626 4.149 1.00 0.00 C ATOM 976 O ARG A 66 1.338 -2.134 4.895 1.00 0.00 O ATOM 977 CB ARG A 66 3.742 -1.656 2.448 1.00 0.00 C ATOM 978 CG ARG A 66 2.456 -1.350 1.699 1.00 0.00 C ATOM 979 CD ARG A 66 1.772 -0.108 2.250 1.00 0.00 C ATOM 980 NE ARG A 66 0.328 -0.137 2.033 1.00 0.00 N ATOM 981 CZ ARG A 66 -0.236 -0.074 0.832 1.00 0.00 C ATOM 982 NH1 ARG A 66 0.519 0.019 -0.254 1.00 0.00 N ATOM 983 NH2 ARG A 66 -1.557 -0.106 0.716 1.00 0.00 N ATOM 0 H ARG A 66 5.276 -3.089 3.743 1.00 0.00 H new ATOM 0 HA ARG A 66 3.530 -0.997 4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.424 -0.813 2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.225 -2.518 1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.675 -1.207 0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.780 -2.202 1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.977 -0.025 3.317 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.192 0.778 1.775 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.281 -0.210 2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.535 0.042 -0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.084 0.067 -1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.141 -0.179 1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.989 -0.058 -0.207 1.00 0.00 H new ATOM 997 N LEU A 67 1.997 -3.763 3.490 1.00 0.00 N ATOM 998 CA LEU A 67 0.753 -4.517 3.606 1.00 0.00 C ATOM 999 C LEU A 67 0.289 -4.581 5.058 1.00 0.00 C ATOM 1000 O LEU A 67 -0.904 -4.473 5.345 1.00 0.00 O ATOM 1001 CB LEU A 67 0.938 -5.932 3.056 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.047 -6.985 3.566 1.00 0.00 C ATOM 1003 CD1 LEU A 67 0.332 -7.436 4.968 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.468 -6.441 3.544 1.00 0.00 C ATOM 0 H LEU A 67 2.689 -4.184 2.870 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.010 -4.003 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.864 -5.890 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.949 -6.263 3.294 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.000 -7.850 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.380 -8.185 5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.333 -7.866 4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.315 -6.580 5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.155 -7.204 3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.530 -5.560 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.738 -6.169 2.523 1.00 0.00 H new ATOM 1016 N LYS A 68 1.239 -4.754 5.970 1.00 0.00 N ATOM 1017 CA LYS A 68 0.929 -4.828 7.393 1.00 0.00 C ATOM 1018 C LYS A 68 0.526 -3.460 7.934 1.00 0.00 C ATOM 1019 O LYS A 68 -0.398 -3.348 8.741 1.00 0.00 O ATOM 1020 CB LYS A 68 2.134 -5.361 8.171 1.00 0.00 C ATOM 1021 CG LYS A 68 2.464 -6.812 7.864 1.00 0.00 C ATOM 1022 CD LYS A 68 1.355 -7.744 8.321 1.00 0.00 C ATOM 1023 CE LYS A 68 1.652 -9.189 7.947 1.00 0.00 C ATOM 1024 NZ LYS A 68 0.405 -9.977 7.745 1.00 0.00 N ATOM 0 H LYS A 68 2.231 -4.846 5.749 1.00 0.00 H new ATOM 0 HA LYS A 68 0.090 -5.512 7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.004 -4.744 7.945 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.940 -5.259 9.239 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.622 -6.931 6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.397 -7.086 8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.233 -7.664 9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.411 -7.437 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.248 -9.213 7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.251 -9.652 8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.650 -10.956 7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.152 -9.976 8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.155 -9.551 6.979 1.00 0.00 H new ATOM 1038 N LYS A 69 1.223 -2.422 7.485 1.00 0.00 N ATOM 1039 CA LYS A 69 0.936 -1.061 7.921 1.00 0.00 C ATOM 1040 C LYS A 69 -0.539 -0.726 7.726 1.00 0.00 C ATOM 1041 O LYS A 69 -1.082 0.148 8.403 1.00 0.00 O ATOM 1042 CB LYS A 69 1.803 -0.063 7.150 1.00 0.00 C ATOM 1043 CG LYS A 69 1.285 1.364 7.207 1.00 0.00 C ATOM 1044 CD LYS A 69 2.424 2.368 7.272 1.00 0.00 C ATOM 1045 CE LYS A 69 2.718 2.785 8.705 1.00 0.00 C ATOM 1046 NZ LYS A 69 1.570 3.509 9.318 1.00 0.00 N ATOM 0 H LYS A 69 1.992 -2.498 6.819 1.00 0.00 H new ATOM 0 HA LYS A 69 1.169 -0.990 8.984 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.816 -0.089 7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.864 -0.377 6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.671 1.565 6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.642 1.484 8.079 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.319 1.933 6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.169 3.248 6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.950 1.902 9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.602 3.423 8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.926 4.224 9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.016 3.976 8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.965 2.833 9.827 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.183 -1.428 6.800 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.596 -1.206 6.517 1.00 0.00 C ATOM 1062 C CYS A 70 -3.462 -1.643 7.694 1.00 0.00 C ATOM 1063 O CYS A 70 -4.289 -0.877 8.189 1.00 0.00 O ATOM 1064 CB CYS A 70 -3.010 -1.963 5.254 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.266 -1.326 3.734 1.00 0.00 S ATOM 0 H CYS A 70 -0.749 -2.156 6.232 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.745 -0.138 6.357 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.738 -3.012 5.367 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.095 -1.923 5.159 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.940 -0.295 3.320 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.267 -2.881 8.136 1.00 0.00 N ATOM 1072 CA LEU A 71 -4.032 -3.422 9.255 1.00 0.00 C ATOM 1073 C LEU A 71 -3.736 -2.654 10.539 1.00 0.00 C ATOM 1074 O LEU A 71 -4.564 -2.601 11.449 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.709 -4.905 9.448 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.804 -5.781 8.199 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -3.053 -7.088 8.405 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.259 -6.050 7.846 1.00 0.00 C ATOM 0 H LEU A 71 -2.587 -3.528 7.737 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.092 -3.314 9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.699 -4.987 9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.385 -5.308 10.202 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.342 -5.247 7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.132 -7.699 7.505 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.003 -6.876 8.609 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.485 -7.627 9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.308 -6.675 6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.746 -6.563 8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.768 -5.105 7.655 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.551 -2.057 10.606 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.146 -1.288 11.776 1.00 0.00 C ATOM 1092 C LYS A 72 -2.850 0.065 11.808 1.00 0.00 C ATOM 1093 O LYS A 72 -3.516 0.407 12.786 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.629 -1.085 11.779 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.100 -0.469 13.063 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.127 1.049 13.005 1.00 0.00 C ATOM 1097 CE LYS A 72 -0.163 1.659 14.398 1.00 0.00 C ATOM 1098 NZ LYS A 72 -0.801 3.005 14.397 1.00 0.00 N ATOM 0 H LYS A 72 -1.854 -2.091 9.862 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.433 -1.849 12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.142 -2.047 11.620 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.355 -0.446 10.940 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.699 -0.813 13.906 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.921 -0.809 13.237 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.752 1.410 12.471 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.000 1.377 12.440 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.710 0.998 15.070 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.852 1.739 14.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.806 3.387 15.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.264 3.643 13.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.778 2.926 14.051 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.699 0.831 10.733 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.323 2.146 10.637 1.00 0.00 C ATOM 1114 C VAL A 73 -4.823 2.062 10.895 1.00 0.00 C ATOM 1115 O VAL A 73 -5.444 3.031 11.331 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.086 2.780 9.254 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.603 3.040 9.032 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.649 1.891 8.156 1.00 0.00 C ATOM 0 H VAL A 73 -2.150 0.564 9.916 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.860 2.773 11.400 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.608 3.736 9.219 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.455 3.488 8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.234 3.720 9.800 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.056 2.099 9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.472 2.355 7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.158 0.918 8.188 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.721 1.761 8.306 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.401 0.896 10.623 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.825 0.707 10.832 1.00 0.00 C ATOM 1130 C GLY A 74 -7.471 -0.100 9.724 1.00 0.00 C ATOM 1131 O GLY A 74 -8.394 -0.877 9.970 1.00 0.00 O ATOM 0 H GLY A 74 -4.909 0.079 10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.986 0.203 11.785 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.312 1.680 10.900 1.00 0.00 H new ATOM 1135 N MET A 75 -6.988 0.085 8.500 1.00 0.00 N ATOM 1136 CA MET A 75 -7.526 -0.633 7.350 1.00 0.00 C ATOM 1137 C MET A 75 -7.913 -2.058 7.730 1.00 0.00 C ATOM 1138 O MET A 75 -7.064 -2.855 8.133 1.00 0.00 O ATOM 1139 CB MET A 75 -6.503 -0.656 6.212 1.00 0.00 C ATOM 1140 CG MET A 75 -5.968 0.720 5.848 1.00 0.00 C ATOM 1141 SD MET A 75 -4.986 0.705 4.336 1.00 0.00 S ATOM 1142 CE MET A 75 -6.235 0.277 3.125 1.00 0.00 C ATOM 0 H MET A 75 -6.226 0.725 8.279 1.00 0.00 H new ATOM 0 HA MET A 75 -8.421 -0.110 7.014 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.669 -1.297 6.497 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.962 -1.103 5.330 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.803 1.410 5.728 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.358 1.097 6.669 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.765 -0.228 2.281 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.971 -0.385 3.580 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.729 1.184 2.776 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.197 -2.373 7.601 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.696 -3.702 7.933 1.00 0.00 C ATOM 1154 C ARG A 76 -9.868 -4.548 6.675 1.00 0.00 C ATOM 1155 O ARG A 76 -10.364 -4.068 5.655 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.028 -3.599 8.678 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.130 -2.940 7.865 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.265 -2.456 8.755 1.00 0.00 C ATOM 1159 NE ARG A 76 -12.807 -1.487 9.748 1.00 0.00 N ATOM 1160 CZ ARG A 76 -12.384 -1.823 10.961 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -12.361 -3.096 11.330 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -11.983 -0.884 11.809 1.00 0.00 N ATOM 0 H ARG A 76 -9.912 -1.725 7.269 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.964 -4.187 8.579 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.351 -4.599 8.969 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.878 -3.033 9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.719 -2.098 7.308 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.517 -3.649 7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.042 -2.004 8.138 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.717 -3.309 9.262 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.812 -0.499 9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.669 -3.821 10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.036 -3.351 12.262 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.000 0.097 11.529 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.658 -1.143 12.741 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.454 -5.809 6.754 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.561 -6.721 5.622 1.00 0.00 C ATOM 1178 C ARG A 77 -11.018 -6.909 5.211 1.00 0.00 C ATOM 1179 O ARG A 77 -11.363 -6.782 4.036 1.00 0.00 O ATOM 1180 CB ARG A 77 -8.940 -8.075 5.970 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.434 -8.019 6.175 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.816 -9.408 6.138 1.00 0.00 C ATOM 1183 NE ARG A 77 -5.445 -9.410 6.642 1.00 0.00 N ATOM 1184 CZ ARG A 77 -4.756 -10.518 6.892 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -5.306 -11.706 6.685 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -3.513 -10.438 7.349 1.00 0.00 N ATOM 0 H ARG A 77 -9.041 -6.222 7.591 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.018 -6.284 4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.408 -8.458 6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.164 -8.784 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.983 -7.398 5.401 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.213 -7.546 7.132 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.422 -10.091 6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.827 -9.783 5.114 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.992 -8.512 6.811 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.261 -11.771 6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.774 -12.555 6.878 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.086 -9.526 7.509 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.984 -11.289 7.541 1.00 0.00 H new ATOM 1200 N GLU A 78 -11.869 -7.212 6.187 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.288 -7.418 5.925 1.00 0.00 C ATOM 1202 C GLU A 78 -13.811 -6.395 4.921 1.00 0.00 C ATOM 1203 O GLU A 78 -14.669 -6.703 4.095 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.088 -7.327 7.227 1.00 0.00 C ATOM 1205 CG GLU A 78 -13.905 -6.011 7.963 1.00 0.00 C ATOM 1206 CD GLU A 78 -14.244 -6.115 9.437 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -13.339 -6.446 10.232 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -15.414 -5.866 9.796 1.00 0.00 O ATOM 0 H GLU A 78 -11.600 -7.320 7.165 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.412 -8.414 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.146 -7.465 7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.792 -8.145 7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.873 -5.679 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.535 -5.250 7.502 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.288 -5.176 5.001 1.00 0.00 N ATOM 1216 CA ALA A 79 -13.700 -4.107 4.100 1.00 0.00 C ATOM 1217 C ALA A 79 -13.447 -4.488 2.645 1.00 0.00 C ATOM 1218 O ALA A 79 -14.334 -4.369 1.799 1.00 0.00 O ATOM 1219 CB ALA A 79 -12.971 -2.816 4.443 1.00 0.00 C ATOM 0 H ALA A 79 -12.578 -4.904 5.681 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.771 -3.951 4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.289 -2.027 3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.205 -2.527 5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.896 -2.968 4.346 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.232 -4.946 2.360 1.00 0.00 N ATOM 1226 CA VAL A 80 -11.864 -5.345 1.007 1.00 0.00 C ATOM 1227 C VAL A 80 -12.942 -6.220 0.379 1.00 0.00 C ATOM 1228 O VAL A 80 -13.431 -5.931 -0.713 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.526 -6.108 0.992 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.240 -6.657 -0.397 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.394 -5.207 1.462 1.00 0.00 C ATOM 0 H VAL A 80 -11.486 -5.050 3.048 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.759 -4.430 0.425 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.600 -6.950 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.291 -7.193 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.039 -7.338 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.185 -5.834 -1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.456 -5.762 1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.317 -4.344 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.597 -4.868 2.478 1.00 0.00 H new ATOM 1241 N GLN A 81 -13.309 -7.290 1.076 1.00 0.00 N ATOM 1242 CA GLN A 81 -14.331 -8.208 0.586 1.00 0.00 C ATOM 1243 C GLN A 81 -15.459 -8.359 1.601 1.00 0.00 C ATOM 1244 O GLN A 81 -15.274 -8.952 2.664 1.00 0.00 O ATOM 1245 CB GLN A 81 -13.715 -9.574 0.282 1.00 0.00 C ATOM 1246 CG GLN A 81 -12.979 -10.187 1.462 1.00 0.00 C ATOM 1247 CD GLN A 81 -13.877 -11.054 2.323 1.00 0.00 C ATOM 1248 OE1 GLN A 81 -13.996 -10.839 3.529 1.00 0.00 O ATOM 1249 NE2 GLN A 81 -14.514 -12.042 1.705 1.00 0.00 N ATOM 0 H GLN A 81 -12.914 -7.543 1.982 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.747 -7.793 -0.332 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.503 -10.256 -0.037 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.023 -9.473 -0.554 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.146 -10.786 1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.554 -9.391 2.073 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.386 -12.184 0.703 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.132 -12.659 2.232 1.00 0.00 H new ATOM 1258 N ARG A 82 -16.627 -7.820 1.266 1.00 0.00 N ATOM 1259 CA ARG A 82 -17.784 -7.895 2.150 1.00 0.00 C ATOM 1260 C ARG A 82 -18.968 -8.545 1.441 1.00 0.00 C ATOM 1261 O ARG A 82 -20.104 -8.087 1.559 1.00 0.00 O ATOM 1262 CB ARG A 82 -18.172 -6.497 2.636 1.00 0.00 C ATOM 1263 CG ARG A 82 -19.136 -6.507 3.811 1.00 0.00 C ATOM 1264 CD ARG A 82 -18.982 -5.260 4.668 1.00 0.00 C ATOM 1265 NE ARG A 82 -19.594 -5.422 5.984 1.00 0.00 N ATOM 1266 CZ ARG A 82 -20.902 -5.339 6.202 1.00 0.00 C ATOM 1267 NH1 ARG A 82 -21.730 -5.098 5.196 1.00 0.00 N ATOM 1268 NH2 ARG A 82 -21.383 -5.498 7.428 1.00 0.00 N ATOM 0 H ARG A 82 -16.797 -7.327 0.389 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.515 -8.510 3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.269 -5.957 2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -18.624 -5.947 1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.160 -6.573 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.959 -7.393 4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.923 -5.030 4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -19.438 -4.411 4.158 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.984 -5.609 6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -21.364 -4.976 4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -22.734 -5.035 5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.748 -5.684 8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.387 -5.434 7.594 1.00 0.00 H new ATOM 1282 N GLY A 83 -18.694 -9.617 0.703 1.00 0.00 N ATOM 1283 CA GLY A 83 -19.746 -10.313 -0.014 1.00 0.00 C ATOM 1284 C GLY A 83 -19.273 -10.866 -1.344 1.00 0.00 C ATOM 1285 O GLY A 83 -19.673 -10.382 -2.403 1.00 0.00 O ATOM 0 H GLY A 83 -17.762 -10.016 0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -20.123 -11.129 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -20.579 -9.631 -0.183 1.00 0.00 H new ATOM 1289 N SER A 84 -18.417 -11.881 -1.291 1.00 0.00 N ATOM 1290 CA SER A 84 -17.885 -12.497 -2.501 1.00 0.00 C ATOM 1291 C SER A 84 -18.166 -13.996 -2.517 1.00 0.00 C ATOM 1292 O SER A 84 -17.394 -14.790 -1.981 1.00 0.00 O ATOM 1293 CB SER A 84 -16.379 -12.248 -2.605 1.00 0.00 C ATOM 1294 OG SER A 84 -16.102 -10.874 -2.814 1.00 0.00 O ATOM 0 H SER A 84 -18.077 -12.295 -0.423 1.00 0.00 H new ATOM 0 HA SER A 84 -18.382 -12.043 -3.358 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.888 -12.587 -1.693 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.966 -12.834 -3.426 1.00 0.00 H new ATOM 0 HG SER A 84 -15.133 -10.741 -2.875 1.00 0.00 H new ATOM 1300 N GLY A 85 -19.280 -14.376 -3.136 1.00 0.00 N ATOM 1301 CA GLY A 85 -19.645 -15.779 -3.211 1.00 0.00 C ATOM 1302 C GLY A 85 -20.371 -16.121 -4.497 1.00 0.00 C ATOM 1303 O GLY A 85 -21.565 -16.423 -4.499 1.00 0.00 O ATOM 0 H GLY A 85 -19.936 -13.738 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.746 -16.390 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -20.279 -16.032 -2.361 1.00 0.00 H new ATOM 1307 N PRO A 86 -19.643 -16.075 -5.623 1.00 0.00 N ATOM 1308 CA PRO A 86 -20.206 -16.378 -6.942 1.00 0.00 C ATOM 1309 C PRO A 86 -20.541 -17.857 -7.103 1.00 0.00 C ATOM 1310 O PRO A 86 -19.829 -18.723 -6.596 1.00 0.00 O ATOM 1311 CB PRO A 86 -19.087 -15.975 -7.906 1.00 0.00 C ATOM 1312 CG PRO A 86 -17.837 -16.087 -7.103 1.00 0.00 C ATOM 1313 CD PRO A 86 -18.215 -15.723 -5.694 1.00 0.00 C ATOM 0 HA PRO A 86 -21.146 -15.853 -7.115 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -19.059 -16.631 -8.776 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -19.230 -14.960 -8.276 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.433 -17.098 -7.150 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -17.066 -15.418 -7.485 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -17.627 -16.279 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -18.052 -14.664 -5.495 1.00 0.00 H new ATOM 1321 N SER A 87 -21.629 -18.139 -7.813 1.00 0.00 N ATOM 1322 CA SER A 87 -22.060 -19.513 -8.038 1.00 0.00 C ATOM 1323 C SER A 87 -21.278 -20.147 -9.185 1.00 0.00 C ATOM 1324 O SER A 87 -21.458 -19.786 -10.348 1.00 0.00 O ATOM 1325 CB SER A 87 -23.558 -19.557 -8.342 1.00 0.00 C ATOM 1326 OG SER A 87 -24.321 -19.212 -7.199 1.00 0.00 O ATOM 0 H SER A 87 -22.228 -17.434 -8.242 1.00 0.00 H new ATOM 0 HA SER A 87 -21.864 -20.082 -7.129 1.00 0.00 H new ATOM 0 HB2 SER A 87 -23.787 -18.870 -9.157 1.00 0.00 H new ATOM 0 HB3 SER A 87 -23.834 -20.556 -8.680 1.00 0.00 H new ATOM 0 HG SER A 87 -25.275 -19.246 -7.420 1.00 0.00 H new ATOM 1332 N SER A 88 -20.408 -21.094 -8.848 1.00 0.00 N ATOM 1333 CA SER A 88 -19.595 -21.776 -9.848 1.00 0.00 C ATOM 1334 C SER A 88 -19.860 -23.278 -9.831 1.00 0.00 C ATOM 1335 O SER A 88 -18.935 -24.084 -9.927 1.00 0.00 O ATOM 1336 CB SER A 88 -18.110 -21.506 -9.598 1.00 0.00 C ATOM 1337 OG SER A 88 -17.361 -21.628 -10.796 1.00 0.00 O ATOM 0 H SER A 88 -20.248 -21.406 -7.890 1.00 0.00 H new ATOM 0 HA SER A 88 -19.868 -21.388 -10.829 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.983 -20.505 -9.186 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.730 -22.207 -8.855 1.00 0.00 H new ATOM 0 HG SER A 88 -16.415 -21.449 -10.610 1.00 0.00 H new ATOM 1343 N GLY A 89 -21.131 -23.647 -9.707 1.00 0.00 N ATOM 1344 CA GLY A 89 -21.497 -25.051 -9.679 1.00 0.00 C ATOM 1345 C GLY A 89 -22.523 -25.404 -10.738 1.00 0.00 C ATOM 1346 O GLY A 89 -22.681 -26.584 -11.048 1.00 0.00 O ATOM 0 H GLY A 89 -21.914 -22.999 -9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -20.604 -25.659 -9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -21.894 -25.300 -8.695 1.00 0.00 H new TER 1350 GLY A 89 HETATM 1351 ZN ZN A 191 -0.560 5.587 0.141 1.00 0.00 ZN HETATM 1352 ZN ZN A 241 9.936 -4.789 5.685 1.00 0.00 ZN