USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 24 THR OG1 : rot -76:sc= 2.07 USER MOD Set 1.2: A 25 LYS NZ :NH3+ 179:sc= 1.85 (180deg=0.634) USER MOD Set 2.1: A 21 GLN : amide:sc= -0.111! X(o=1.6!,f=1.2) USER MOD Set 2.2: A 72 ASN : amide:sc= 1.6 K(o=1.6,f=-9.3!) USER MOD Set 2.3: A 74 ASN : amide:sc= 0.122 X(o=1.6,f=1.3) USER MOD Single : A 1 SER N :NH3+ 140:sc= 0.765 (180deg=0.137) USER MOD Single : A 1 SER OG : rot 180:sc= 0.229 USER MOD Single : A 5 ASN : amide:sc= 1.3 K(o=1.3,f=-4.7!) USER MOD Single : A 13 THR OG1 : rot 96:sc= 1.24 USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 1.27 (180deg=0.761) USER MOD Single : A 19 TYR OH : rot -26:sc= 1.11 USER MOD Single : A 20 ASN : amide:sc= 0.571 K(o=0.57,f=-10!) USER MOD Single : A 26 SER OG : rot -143:sc= 1.16 USER MOD Single : A 41 GLN : amide:sc= 1.99 K(o=2,f=-6.2!) USER MOD Single : A 42 HIS : no HD1:sc= -0.626 K(o=0.19,f=-9!) USER MOD Single : A 45 ASN : amide:sc= 1.61 K(o=1.6,f=-11!) USER MOD Single : A 47 GLN : amide:sc= 1.14 K(o=1.1,f=-0.3) USER MOD Single : A 49 MET CE :methyl -139:sc= 0 (180deg=-0.0803) USER MOD Single : A 50 GLN : amide:sc= 0.609 K(o=0.61,f=0) USER MOD Single : A 57 THR OG1 : rot -177:sc= 0.934 USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= 1.29! (180deg=1.01!) USER MOD Single : A 64 GLN : amide:sc= 0.808 K(o=0.81,f=-0.65) USER MOD Single : A 69 LYS NZ :NH3+ -131:sc= 2.34 (180deg=1.07) USER MOD Single : A 79 SER OG : rot -150:sc= 0 USER MOD Single : A 81 THR OG1 : rot 75:sc= 1.16 USER MOD Single : A 83 LYS NZ :NH3+ 149:sc= 2.84 (180deg=0.839!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.176 7.740 14.885 1.00 0.00 N ATOM 2 CA SER A 1 -1.479 7.068 14.954 1.00 0.00 C ATOM 3 C SER A 1 -1.958 6.770 13.536 1.00 0.00 C ATOM 4 O SER A 1 -1.356 7.309 12.610 1.00 0.00 O ATOM 5 CB SER A 1 -2.434 7.993 15.713 1.00 0.00 C ATOM 6 OG SER A 1 -1.642 8.692 16.662 1.00 0.00 O ATOM 0 H1 SER A 1 -0.137 8.495 15.599 1.00 0.00 H new ATOM 0 H2 SER A 1 0.580 7.050 15.069 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.047 8.151 13.938 1.00 0.00 H new ATOM 0 HA SER A 1 -1.424 6.116 15.482 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.927 8.687 15.032 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.219 7.420 16.208 1.00 0.00 H new ATOM 0 HG SER A 1 -2.210 9.303 17.176 1.00 0.00 H new ATOM 14 N ALA A 2 -3.002 5.951 13.375 1.00 0.00 N ATOM 15 CA ALA A 2 -3.583 5.612 12.080 1.00 0.00 C ATOM 16 C ALA A 2 -5.000 6.194 11.991 1.00 0.00 C ATOM 17 O ALA A 2 -5.707 6.172 12.999 1.00 0.00 O ATOM 18 CB ALA A 2 -3.626 4.088 11.929 1.00 0.00 C ATOM 0 H ALA A 2 -3.473 5.499 14.158 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.976 6.032 11.278 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.059 3.830 10.963 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.614 3.688 11.991 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.235 3.660 12.726 1.00 0.00 H new ATOM 24 N PRO A 3 -5.424 6.727 10.833 1.00 0.00 N ATOM 25 CA PRO A 3 -6.787 7.201 10.645 1.00 0.00 C ATOM 26 C PRO A 3 -7.807 6.073 10.785 1.00 0.00 C ATOM 27 O PRO A 3 -7.501 4.907 10.549 1.00 0.00 O ATOM 28 CB PRO A 3 -6.853 7.824 9.246 1.00 0.00 C ATOM 29 CG PRO A 3 -5.551 7.414 8.548 1.00 0.00 C ATOM 30 CD PRO A 3 -4.604 6.962 9.658 1.00 0.00 C ATOM 0 HA PRO A 3 -7.038 7.932 11.414 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.722 7.462 8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.941 8.909 9.304 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.727 6.610 7.834 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.128 8.249 7.990 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.073 6.055 9.369 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -3.850 7.723 9.858 1.00 0.00 H new ATOM 38 N ALA A 4 -9.047 6.435 11.123 1.00 0.00 N ATOM 39 CA ALA A 4 -10.139 5.478 11.244 1.00 0.00 C ATOM 40 C ALA A 4 -10.316 4.695 9.939 1.00 0.00 C ATOM 41 O ALA A 4 -10.526 3.486 9.951 1.00 0.00 O ATOM 42 CB ALA A 4 -11.423 6.218 11.631 1.00 0.00 C ATOM 0 H ALA A 4 -9.317 7.399 11.319 1.00 0.00 H new ATOM 0 HA ALA A 4 -9.905 4.756 12.027 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -12.241 5.504 11.722 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.277 6.726 12.584 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.666 6.952 10.862 1.00 0.00 H new ATOM 48 N ASN A 5 -10.190 5.390 8.804 1.00 0.00 N ATOM 49 CA ASN A 5 -10.269 4.790 7.475 1.00 0.00 C ATOM 50 C ASN A 5 -8.951 4.141 7.044 1.00 0.00 C ATOM 51 O ASN A 5 -8.794 3.789 5.878 1.00 0.00 O ATOM 52 CB ASN A 5 -10.748 5.799 6.414 1.00 0.00 C ATOM 53 CG ASN A 5 -10.211 7.225 6.534 1.00 0.00 C ATOM 54 OD1 ASN A 5 -10.157 7.810 7.615 1.00 0.00 O ATOM 55 ND2 ASN A 5 -9.819 7.786 5.400 1.00 0.00 N ATOM 0 H ASN A 5 -10.028 6.397 8.786 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.014 3.998 7.549 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.476 5.414 5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.837 5.841 6.450 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.455 8.739 5.401 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.881 7.265 4.525 1.00 0.00 H new ATOM 62 N ALA A 6 -7.983 3.944 7.930 1.00 0.00 N ATOM 63 CA ALA A 6 -6.740 3.331 7.502 1.00 0.00 C ATOM 64 C ALA A 6 -6.941 1.904 6.988 1.00 0.00 C ATOM 65 O ALA A 6 -7.871 1.194 7.382 1.00 0.00 O ATOM 66 CB ALA A 6 -5.741 3.393 8.640 1.00 0.00 C ATOM 0 H ALA A 6 -8.033 4.192 8.918 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.347 3.891 6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.803 2.934 8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.563 4.434 8.911 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.137 2.856 9.502 1.00 0.00 H new ATOM 72 N VAL A 7 -6.069 1.479 6.075 1.00 0.00 N ATOM 73 CA VAL A 7 -5.983 0.091 5.671 1.00 0.00 C ATOM 74 C VAL A 7 -5.206 -0.655 6.748 1.00 0.00 C ATOM 75 O VAL A 7 -4.000 -0.458 6.917 1.00 0.00 O ATOM 76 CB VAL A 7 -5.317 -0.049 4.303 1.00 0.00 C ATOM 77 CG1 VAL A 7 -5.225 -1.526 3.910 1.00 0.00 C ATOM 78 CG2 VAL A 7 -6.095 0.708 3.222 1.00 0.00 C ATOM 0 H VAL A 7 -5.407 2.092 5.600 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.982 -0.334 5.569 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.318 0.379 4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.749 -1.614 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.634 -2.064 4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.227 -1.954 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.594 0.588 2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.107 0.309 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.138 1.767 3.479 1.00 0.00 H new ATOM 88 N ALA A 8 -5.927 -1.510 7.463 1.00 0.00 N ATOM 89 CA ALA A 8 -5.384 -2.389 8.478 1.00 0.00 C ATOM 90 C ALA A 8 -4.729 -3.591 7.799 1.00 0.00 C ATOM 91 O ALA A 8 -5.184 -4.017 6.740 1.00 0.00 O ATOM 92 CB ALA A 8 -6.509 -2.835 9.416 1.00 0.00 C ATOM 0 H ALA A 8 -6.935 -1.610 7.345 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.630 -1.867 9.068 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.104 -3.497 10.181 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.955 -1.961 9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.271 -3.365 8.844 1.00 0.00 H new ATOM 98 N ALA A 9 -3.676 -4.149 8.402 1.00 0.00 N ATOM 99 CA ALA A 9 -3.011 -5.339 7.877 1.00 0.00 C ATOM 100 C ALA A 9 -4.025 -6.462 7.640 1.00 0.00 C ATOM 101 O ALA A 9 -3.984 -7.153 6.625 1.00 0.00 O ATOM 102 CB ALA A 9 -1.926 -5.788 8.860 1.00 0.00 C ATOM 0 H ALA A 9 -3.264 -3.789 9.263 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.549 -5.099 6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.428 -6.676 8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.196 -4.988 8.986 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.381 -6.020 9.823 1.00 0.00 H new ATOM 108 N ASP A 10 -4.943 -6.615 8.593 1.00 0.00 N ATOM 109 CA ASP A 10 -6.000 -7.606 8.635 1.00 0.00 C ATOM 110 C ASP A 10 -7.294 -7.118 7.966 1.00 0.00 C ATOM 111 O ASP A 10 -8.321 -7.781 8.102 1.00 0.00 O ATOM 112 CB ASP A 10 -6.242 -7.963 10.112 1.00 0.00 C ATOM 113 CG ASP A 10 -6.638 -6.744 10.942 1.00 0.00 C ATOM 114 OD1 ASP A 10 -5.847 -5.772 10.911 1.00 0.00 O ATOM 115 OD2 ASP A 10 -7.703 -6.803 11.590 1.00 0.00 O ATOM 0 H ASP A 10 -4.963 -6.004 9.409 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.691 -8.485 8.069 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.027 -8.716 10.178 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.338 -8.407 10.530 1.00 0.00 H new ATOM 120 N ASP A 11 -7.278 -6.001 7.219 1.00 0.00 N ATOM 121 CA ASP A 11 -8.448 -5.620 6.430 1.00 0.00 C ATOM 122 C ASP A 11 -8.753 -6.752 5.436 1.00 0.00 C ATOM 123 O ASP A 11 -7.850 -7.451 4.977 1.00 0.00 O ATOM 124 CB ASP A 11 -8.240 -4.257 5.745 1.00 0.00 C ATOM 125 CG ASP A 11 -9.486 -3.674 5.089 1.00 0.00 C ATOM 126 OD1 ASP A 11 -10.164 -4.407 4.332 1.00 0.00 O ATOM 127 OD2 ASP A 11 -9.726 -2.468 5.326 1.00 0.00 O ATOM 0 H ASP A 11 -6.485 -5.363 7.149 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.314 -5.489 7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.870 -3.547 6.485 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.463 -4.362 4.988 1.00 0.00 H new ATOM 132 N ALA A 12 -10.018 -6.930 5.072 1.00 0.00 N ATOM 133 CA ALA A 12 -10.409 -7.969 4.125 1.00 0.00 C ATOM 134 C ALA A 12 -9.809 -7.623 2.764 1.00 0.00 C ATOM 135 O ALA A 12 -9.260 -8.465 2.053 1.00 0.00 O ATOM 136 CB ALA A 12 -11.936 -8.054 4.057 1.00 0.00 C ATOM 0 H ALA A 12 -10.793 -6.366 5.420 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.037 -8.944 4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.226 -8.831 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.331 -8.296 5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.340 -7.096 3.730 1.00 0.00 H new ATOM 142 N THR A 13 -9.883 -6.335 2.441 1.00 0.00 N ATOM 143 CA THR A 13 -9.289 -5.737 1.271 1.00 0.00 C ATOM 144 C THR A 13 -7.774 -5.958 1.310 1.00 0.00 C ATOM 145 O THR A 13 -7.167 -6.358 0.320 1.00 0.00 O ATOM 146 CB THR A 13 -9.636 -4.244 1.294 1.00 0.00 C ATOM 147 OG1 THR A 13 -10.926 -4.018 1.831 1.00 0.00 O ATOM 148 CG2 THR A 13 -9.563 -3.639 -0.110 1.00 0.00 C ATOM 0 H THR A 13 -10.382 -5.659 3.019 1.00 0.00 H new ATOM 0 HA THR A 13 -9.668 -6.185 0.352 1.00 0.00 H new ATOM 0 HB THR A 13 -8.899 -3.759 1.934 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.850 -3.798 2.783 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.814 -2.579 -0.063 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.554 -3.756 -0.504 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.269 -4.151 -0.764 1.00 0.00 H new ATOM 156 N ALA A 14 -7.157 -5.716 2.472 1.00 0.00 N ATOM 157 CA ALA A 14 -5.724 -5.899 2.628 1.00 0.00 C ATOM 158 C ALA A 14 -5.347 -7.345 2.359 1.00 0.00 C ATOM 159 O ALA A 14 -4.409 -7.599 1.614 1.00 0.00 O ATOM 160 CB ALA A 14 -5.246 -5.488 4.019 1.00 0.00 C ATOM 0 H ALA A 14 -7.634 -5.393 3.314 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.231 -5.253 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.169 -5.641 4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.476 -4.436 4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.751 -6.094 4.771 1.00 0.00 H new ATOM 166 N ILE A 15 -6.088 -8.287 2.937 1.00 0.00 N ATOM 167 CA ILE A 15 -5.886 -9.707 2.721 1.00 0.00 C ATOM 168 C ILE A 15 -5.956 -9.987 1.219 1.00 0.00 C ATOM 169 O ILE A 15 -5.012 -10.535 0.653 1.00 0.00 O ATOM 170 CB ILE A 15 -6.885 -10.495 3.580 1.00 0.00 C ATOM 171 CG1 ILE A 15 -6.372 -10.445 5.028 1.00 0.00 C ATOM 172 CG2 ILE A 15 -7.034 -11.944 3.099 1.00 0.00 C ATOM 173 CD1 ILE A 15 -7.416 -10.904 6.041 1.00 0.00 C ATOM 0 H ILE A 15 -6.855 -8.077 3.576 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.900 -10.041 3.044 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.877 -10.049 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.486 -11.073 5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.066 -9.426 5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.750 -12.466 3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.390 -11.951 2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.068 -12.446 3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.998 -10.847 7.046 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.293 -10.260 5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.704 -11.933 5.826 1.00 0.00 H new ATOM 185 N ALA A 16 -7.035 -9.559 0.556 1.00 0.00 N ATOM 186 CA ALA A 16 -7.181 -9.722 -0.889 1.00 0.00 C ATOM 187 C ALA A 16 -5.976 -9.161 -1.661 1.00 0.00 C ATOM 188 O ALA A 16 -5.517 -9.767 -2.627 1.00 0.00 O ATOM 189 CB ALA A 16 -8.489 -9.074 -1.354 1.00 0.00 C ATOM 0 H ALA A 16 -7.824 -9.094 1.004 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.217 -10.790 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.593 -9.198 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.330 -9.551 -0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.475 -8.012 -1.111 1.00 0.00 H new ATOM 195 N LEU A 17 -5.457 -8.010 -1.229 1.00 0.00 N ATOM 196 CA LEU A 17 -4.335 -7.317 -1.859 1.00 0.00 C ATOM 197 C LEU A 17 -2.985 -7.766 -1.293 1.00 0.00 C ATOM 198 O LEU A 17 -1.951 -7.290 -1.753 1.00 0.00 O ATOM 199 CB LEU A 17 -4.592 -5.804 -1.815 1.00 0.00 C ATOM 200 CG LEU A 17 -5.847 -5.384 -2.610 1.00 0.00 C ATOM 201 CD1 LEU A 17 -6.005 -3.864 -2.528 1.00 0.00 C ATOM 202 CD2 LEU A 17 -5.779 -5.793 -4.088 1.00 0.00 C ATOM 0 H LEU A 17 -5.817 -7.522 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.267 -7.594 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.703 -5.490 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.723 -5.281 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.699 -5.898 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.890 -3.559 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.114 -3.565 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.124 -3.383 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.688 -5.472 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.915 -5.322 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.686 -6.876 -4.162 1.00 0.00 H new ATOM 214 N LYS A 18 -2.962 -8.714 -0.347 1.00 0.00 N ATOM 215 CA LYS A 18 -1.770 -9.143 0.367 1.00 0.00 C ATOM 216 C LYS A 18 -0.978 -7.936 0.881 1.00 0.00 C ATOM 217 O LYS A 18 0.254 -7.921 0.856 1.00 0.00 O ATOM 218 CB LYS A 18 -0.923 -10.044 -0.531 1.00 0.00 C ATOM 219 CG LYS A 18 -1.710 -11.210 -1.144 1.00 0.00 C ATOM 220 CD LYS A 18 -2.125 -12.238 -0.078 1.00 0.00 C ATOM 221 CE LYS A 18 -1.934 -13.677 -0.572 1.00 0.00 C ATOM 222 NZ LYS A 18 -0.511 -14.065 -0.557 1.00 0.00 N ATOM 0 H LYS A 18 -3.802 -9.214 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.066 -9.723 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.494 -9.444 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.091 -10.443 0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.599 -10.826 -1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.102 -11.700 -1.905 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.536 -12.083 0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.170 -12.081 0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.506 -14.359 0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.328 -13.772 -1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.403 -15.004 -0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.044 -13.369 -1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.170 -14.096 0.425 1.00 0.00 H new ATOM 236 N TYR A 19 -1.700 -6.906 1.323 1.00 0.00 N ATOM 237 CA TYR A 19 -1.086 -5.674 1.766 1.00 0.00 C ATOM 238 C TYR A 19 -0.394 -5.905 3.102 1.00 0.00 C ATOM 239 O TYR A 19 -0.850 -6.707 3.915 1.00 0.00 O ATOM 240 CB TYR A 19 -2.119 -4.537 1.822 1.00 0.00 C ATOM 241 CG TYR A 19 -1.822 -3.381 2.771 1.00 0.00 C ATOM 242 CD1 TYR A 19 -2.170 -3.494 4.132 1.00 0.00 C ATOM 243 CD2 TYR A 19 -1.278 -2.170 2.299 1.00 0.00 C ATOM 244 CE1 TYR A 19 -2.109 -2.375 4.977 1.00 0.00 C ATOM 245 CE2 TYR A 19 -1.174 -1.063 3.163 1.00 0.00 C ATOM 246 CZ TYR A 19 -1.686 -1.138 4.468 1.00 0.00 C ATOM 247 OH TYR A 19 -1.849 -0.002 5.203 1.00 0.00 O ATOM 0 H TYR A 19 -2.718 -6.911 1.380 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.328 -5.362 1.048 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.231 -4.131 0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.081 -4.966 2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.486 -4.448 4.527 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.941 -2.091 1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.387 -2.466 6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.700 -0.155 2.821 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.600 -0.118 5.822 1.00 0.00 H new ATOM 257 N ASN A 20 0.666 -5.140 3.360 1.00 0.00 N ATOM 258 CA ASN A 20 1.053 -4.854 4.732 1.00 0.00 C ATOM 259 C ASN A 20 1.388 -3.372 4.824 1.00 0.00 C ATOM 260 O ASN A 20 1.931 -2.794 3.880 1.00 0.00 O ATOM 261 CB ASN A 20 2.161 -5.786 5.228 1.00 0.00 C ATOM 262 CG ASN A 20 2.398 -5.705 6.729 1.00 0.00 C ATOM 263 OD1 ASN A 20 1.925 -4.801 7.416 1.00 0.00 O ATOM 264 ND2 ASN A 20 3.161 -6.646 7.264 1.00 0.00 N ATOM 0 H ASN A 20 1.260 -4.716 2.648 1.00 0.00 H new ATOM 0 HA ASN A 20 0.227 -5.059 5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.907 -6.812 4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.088 -5.543 4.709 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.366 -6.630 8.263 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.544 -7.387 6.677 1.00 0.00 H new ATOM 271 N GLN A 21 1.017 -2.769 5.953 1.00 0.00 N ATOM 272 CA GLN A 21 1.339 -1.403 6.316 1.00 0.00 C ATOM 273 C GLN A 21 2.844 -1.333 6.558 1.00 0.00 C ATOM 274 O GLN A 21 3.476 -0.366 6.140 1.00 0.00 O ATOM 275 CB GLN A 21 0.520 -1.024 7.564 1.00 0.00 C ATOM 276 CG GLN A 21 0.108 0.446 7.725 1.00 0.00 C ATOM 277 CD GLN A 21 1.120 1.301 8.472 1.00 0.00 C ATOM 278 OE1 GLN A 21 0.812 1.921 9.483 1.00 0.00 O ATOM 279 NE2 GLN A 21 2.333 1.380 7.954 1.00 0.00 N ATOM 0 H GLN A 21 0.461 -3.245 6.664 1.00 0.00 H new ATOM 0 HA GLN A 21 1.085 -0.692 5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.387 -1.629 7.567 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.097 -1.309 8.444 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.054 0.876 6.737 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.845 0.488 8.252 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.563 0.853 7.111 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.039 1.968 8.397 1.00 0.00 H new ATOM 288 N ASP A 22 3.417 -2.341 7.223 1.00 0.00 N ATOM 289 CA ASP A 22 4.861 -2.472 7.307 1.00 0.00 C ATOM 290 C ASP A 22 5.334 -3.279 6.103 1.00 0.00 C ATOM 291 O ASP A 22 5.290 -4.512 6.104 1.00 0.00 O ATOM 292 CB ASP A 22 5.297 -3.120 8.622 1.00 0.00 C ATOM 293 CG ASP A 22 6.816 -3.139 8.737 1.00 0.00 C ATOM 294 OD1 ASP A 22 7.507 -3.079 7.693 1.00 0.00 O ATOM 295 OD2 ASP A 22 7.297 -3.278 9.881 1.00 0.00 O ATOM 0 H ASP A 22 2.898 -3.073 7.708 1.00 0.00 H new ATOM 0 HA ASP A 22 5.318 -1.483 7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.871 -2.571 9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.911 -4.138 8.677 1.00 0.00 H new ATOM 300 N ALA A 23 5.805 -2.573 5.076 1.00 0.00 N ATOM 301 CA ALA A 23 6.341 -3.195 3.883 1.00 0.00 C ATOM 302 C ALA A 23 7.392 -4.273 4.189 1.00 0.00 C ATOM 303 O ALA A 23 7.421 -5.283 3.486 1.00 0.00 O ATOM 304 CB ALA A 23 6.887 -2.119 2.947 1.00 0.00 C ATOM 0 H ALA A 23 5.822 -1.553 5.055 1.00 0.00 H new ATOM 0 HA ALA A 23 5.526 -3.720 3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.290 -2.588 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.084 -1.436 2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.677 -1.564 3.452 1.00 0.00 H new ATOM 310 N THR A 24 8.243 -4.106 5.214 1.00 0.00 N ATOM 311 CA THR A 24 9.355 -5.039 5.430 1.00 0.00 C ATOM 312 C THR A 24 8.848 -6.460 5.670 1.00 0.00 C ATOM 313 O THR A 24 9.529 -7.429 5.346 1.00 0.00 O ATOM 314 CB THR A 24 10.270 -4.611 6.589 1.00 0.00 C ATOM 315 OG1 THR A 24 9.580 -4.643 7.825 1.00 0.00 O ATOM 316 CG2 THR A 24 10.861 -3.214 6.376 1.00 0.00 C ATOM 0 H THR A 24 8.183 -3.348 5.894 1.00 0.00 H new ATOM 0 HA THR A 24 9.947 -5.020 4.515 1.00 0.00 H new ATOM 0 HB THR A 24 11.089 -5.330 6.612 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.988 -3.865 7.889 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.500 -2.957 7.221 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.450 -3.204 5.459 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.054 -2.486 6.296 1.00 0.00 H new ATOM 324 N LYS A 25 7.659 -6.579 6.265 1.00 0.00 N ATOM 325 CA LYS A 25 7.024 -7.848 6.568 1.00 0.00 C ATOM 326 C LYS A 25 5.762 -8.004 5.720 1.00 0.00 C ATOM 327 O LYS A 25 4.786 -8.628 6.131 1.00 0.00 O ATOM 328 CB LYS A 25 6.743 -7.860 8.067 1.00 0.00 C ATOM 329 CG LYS A 25 8.068 -8.017 8.835 1.00 0.00 C ATOM 330 CD LYS A 25 7.927 -7.767 10.343 1.00 0.00 C ATOM 331 CE LYS A 25 7.641 -6.297 10.685 1.00 0.00 C ATOM 332 NZ LYS A 25 8.713 -5.374 10.253 1.00 0.00 N ATOM 0 H LYS A 25 7.104 -5.773 6.553 1.00 0.00 H new ATOM 0 HA LYS A 25 7.661 -8.699 6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.246 -6.936 8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.067 -8.678 8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.456 -9.023 8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.802 -7.323 8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.122 -8.388 10.735 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.843 -8.079 10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.704 -5.998 10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.503 -6.203 11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.450 -4.398 10.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.601 -5.625 10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.842 -5.450 9.224 1.00 0.00 H new ATOM 346 N SER A 26 5.788 -7.426 4.521 1.00 0.00 N ATOM 347 CA SER A 26 4.859 -7.762 3.459 1.00 0.00 C ATOM 348 C SER A 26 5.364 -9.001 2.717 1.00 0.00 C ATOM 349 O SER A 26 6.436 -9.528 3.012 1.00 0.00 O ATOM 350 CB SER A 26 4.733 -6.573 2.504 1.00 0.00 C ATOM 351 OG SER A 26 3.664 -6.804 1.613 1.00 0.00 O ATOM 0 H SER A 26 6.463 -6.706 4.263 1.00 0.00 H new ATOM 0 HA SER A 26 3.876 -7.982 3.876 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.561 -5.656 3.067 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.661 -6.437 1.949 1.00 0.00 H new ATOM 0 HG SER A 26 3.896 -6.457 0.726 1.00 0.00 H new ATOM 357 N GLU A 27 4.622 -9.417 1.688 1.00 0.00 N ATOM 358 CA GLU A 27 5.033 -10.483 0.786 1.00 0.00 C ATOM 359 C GLU A 27 6.024 -9.973 -0.264 1.00 0.00 C ATOM 360 O GLU A 27 6.447 -10.747 -1.116 1.00 0.00 O ATOM 361 CB GLU A 27 3.803 -11.103 0.109 1.00 0.00 C ATOM 362 CG GLU A 27 2.864 -11.716 1.153 1.00 0.00 C ATOM 363 CD GLU A 27 1.726 -12.521 0.545 1.00 0.00 C ATOM 364 OE1 GLU A 27 1.507 -12.462 -0.688 1.00 0.00 O ATOM 365 OE2 GLU A 27 1.030 -13.226 1.309 1.00 0.00 O ATOM 0 H GLU A 27 3.712 -9.017 1.460 1.00 0.00 H new ATOM 0 HA GLU A 27 5.539 -11.249 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.273 -10.341 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.119 -11.870 -0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.441 -12.361 1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.447 -10.919 1.768 1.00 0.00 H new ATOM 372 N ARG A 28 6.392 -8.689 -0.239 1.00 0.00 N ATOM 373 CA ARG A 28 7.123 -8.053 -1.321 1.00 0.00 C ATOM 374 C ARG A 28 8.402 -8.802 -1.706 1.00 0.00 C ATOM 375 O ARG A 28 8.640 -9.041 -2.884 1.00 0.00 O ATOM 376 CB ARG A 28 7.335 -6.571 -0.995 1.00 0.00 C ATOM 377 CG ARG A 28 8.157 -6.296 0.264 1.00 0.00 C ATOM 378 CD ARG A 28 8.372 -4.791 0.429 1.00 0.00 C ATOM 379 NE ARG A 28 9.399 -4.519 1.454 1.00 0.00 N ATOM 380 CZ ARG A 28 9.936 -3.320 1.717 1.00 0.00 C ATOM 381 NH1 ARG A 28 9.613 -2.250 0.998 1.00 0.00 N ATOM 382 NH2 ARG A 28 10.876 -3.170 2.649 1.00 0.00 N ATOM 0 H ARG A 28 6.186 -8.064 0.540 1.00 0.00 H new ATOM 0 HA ARG A 28 6.520 -8.105 -2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.827 -6.095 -1.843 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.360 -6.096 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.644 -6.696 1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.119 -6.804 0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.677 -4.356 -0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.434 -4.314 0.712 1.00 0.00 H new ATOM 0 HE ARG A 28 9.727 -5.310 2.008 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.946 -2.333 0.231 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.032 -1.345 1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.201 -3.978 3.180 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.270 -2.247 2.832 1.00 0.00 H new ATOM 396 N VAL A 29 9.201 -9.213 -0.721 1.00 0.00 N ATOM 397 CA VAL A 29 10.407 -10.016 -0.918 1.00 0.00 C ATOM 398 C VAL A 29 10.081 -11.337 -1.621 1.00 0.00 C ATOM 399 O VAL A 29 10.800 -11.757 -2.523 1.00 0.00 O ATOM 400 CB VAL A 29 11.102 -10.194 0.446 1.00 0.00 C ATOM 401 CG1 VAL A 29 11.578 -11.618 0.756 1.00 0.00 C ATOM 402 CG2 VAL A 29 12.289 -9.233 0.570 1.00 0.00 C ATOM 0 H VAL A 29 9.023 -8.991 0.259 1.00 0.00 H new ATOM 0 HA VAL A 29 11.104 -9.507 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 29 10.329 -9.967 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.053 -11.637 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.724 -12.296 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.296 -11.935 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.769 -9.371 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.007 -9.438 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.936 -8.205 0.483 1.00 0.00 H new ATOM 412 N ALA A 30 9.002 -11.994 -1.196 1.00 0.00 N ATOM 413 CA ALA A 30 8.598 -13.288 -1.733 1.00 0.00 C ATOM 414 C ALA A 30 8.104 -13.138 -3.174 1.00 0.00 C ATOM 415 O ALA A 30 8.483 -13.901 -4.057 1.00 0.00 O ATOM 416 CB ALA A 30 7.523 -13.908 -0.833 1.00 0.00 C ATOM 0 H ALA A 30 8.383 -11.640 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 30 9.458 -13.957 -1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.223 -14.875 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.923 -14.043 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.657 -13.247 -0.793 1.00 0.00 H new ATOM 422 N ALA A 31 7.235 -12.152 -3.396 1.00 0.00 N ATOM 423 CA ALA A 31 6.620 -11.867 -4.681 1.00 0.00 C ATOM 424 C ALA A 31 7.650 -11.339 -5.683 1.00 0.00 C ATOM 425 O ALA A 31 7.591 -11.678 -6.862 1.00 0.00 O ATOM 426 CB ALA A 31 5.488 -10.859 -4.460 1.00 0.00 C ATOM 0 H ALA A 31 6.934 -11.513 -2.660 1.00 0.00 H new ATOM 0 HA ALA A 31 6.214 -12.785 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.012 -10.631 -5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.750 -11.284 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.895 -9.944 -4.030 1.00 0.00 H new ATOM 432 N ALA A 32 8.565 -10.485 -5.210 1.00 0.00 N ATOM 433 CA ALA A 32 9.627 -9.840 -5.975 1.00 0.00 C ATOM 434 C ALA A 32 9.145 -9.357 -7.346 1.00 0.00 C ATOM 435 O ALA A 32 9.717 -9.698 -8.379 1.00 0.00 O ATOM 436 CB ALA A 32 10.847 -10.762 -6.066 1.00 0.00 C ATOM 0 H ALA A 32 8.581 -10.213 -4.227 1.00 0.00 H new ATOM 0 HA ALA A 32 9.932 -8.939 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.633 -10.270 -6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.213 -10.982 -5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.565 -11.691 -6.561 1.00 0.00 H new ATOM 442 N ARG A 33 8.086 -8.540 -7.351 1.00 0.00 N ATOM 443 CA ARG A 33 7.539 -7.995 -8.586 1.00 0.00 C ATOM 444 C ARG A 33 8.618 -7.184 -9.316 1.00 0.00 C ATOM 445 O ARG A 33 9.386 -6.489 -8.655 1.00 0.00 O ATOM 446 CB ARG A 33 6.298 -7.162 -8.295 1.00 0.00 C ATOM 447 CG ARG A 33 5.172 -8.169 -8.078 1.00 0.00 C ATOM 448 CD ARG A 33 3.932 -7.491 -7.538 1.00 0.00 C ATOM 449 NE ARG A 33 3.457 -6.407 -8.411 1.00 0.00 N ATOM 450 CZ ARG A 33 2.586 -6.498 -9.426 1.00 0.00 C ATOM 451 NH1 ARG A 33 2.042 -7.674 -9.744 1.00 0.00 N ATOM 452 NH2 ARG A 33 2.282 -5.398 -10.122 1.00 0.00 N ATOM 0 H ARG A 33 7.594 -8.244 -6.508 1.00 0.00 H new ATOM 0 HA ARG A 33 7.232 -8.811 -9.241 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.442 -6.538 -7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.071 -6.493 -9.125 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.938 -8.666 -9.019 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.500 -8.942 -7.383 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.140 -8.231 -7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.144 -7.089 -6.547 1.00 0.00 H new ATOM 0 HE ARG A 33 3.834 -5.478 -8.222 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.288 -8.510 -9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.380 -7.737 -10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.711 -4.505 -9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.621 -5.451 -10.897 1.00 0.00 H new ATOM 466 N PRO A 34 8.715 -7.261 -10.650 1.00 0.00 N ATOM 467 CA PRO A 34 9.738 -6.548 -11.394 1.00 0.00 C ATOM 468 C PRO A 34 9.511 -5.035 -11.310 1.00 0.00 C ATOM 469 O PRO A 34 8.371 -4.577 -11.250 1.00 0.00 O ATOM 470 CB PRO A 34 9.634 -7.069 -12.830 1.00 0.00 C ATOM 471 CG PRO A 34 8.171 -7.500 -12.943 1.00 0.00 C ATOM 472 CD PRO A 34 7.854 -8.020 -11.540 1.00 0.00 C ATOM 0 HA PRO A 34 10.737 -6.717 -10.992 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.883 -6.296 -13.557 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.314 -7.903 -13.006 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.525 -6.667 -13.220 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.036 -8.273 -13.700 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.803 -7.871 -11.293 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.051 -9.089 -11.462 1.00 0.00 H new ATOM 480 N GLY A 35 10.603 -4.264 -11.312 1.00 0.00 N ATOM 481 CA GLY A 35 10.572 -2.808 -11.273 1.00 0.00 C ATOM 482 C GLY A 35 11.775 -2.278 -10.501 1.00 0.00 C ATOM 483 O GLY A 35 12.616 -1.580 -11.056 1.00 0.00 O ATOM 0 H GLY A 35 11.548 -4.647 -11.341 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.577 -2.409 -12.287 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.650 -2.469 -10.802 1.00 0.00 H new ATOM 487 N LEU A 36 11.851 -2.628 -9.215 1.00 0.00 N ATOM 488 CA LEU A 36 12.894 -2.226 -8.277 1.00 0.00 C ATOM 489 C LEU A 36 12.979 -3.362 -7.246 1.00 0.00 C ATOM 490 O LEU A 36 12.062 -4.186 -7.194 1.00 0.00 O ATOM 491 CB LEU A 36 12.521 -0.866 -7.652 1.00 0.00 C ATOM 492 CG LEU A 36 13.563 0.261 -7.775 1.00 0.00 C ATOM 493 CD1 LEU A 36 13.950 0.582 -9.222 1.00 0.00 C ATOM 494 CD2 LEU A 36 12.991 1.530 -7.128 1.00 0.00 C ATOM 0 H LEU A 36 11.151 -3.229 -8.781 1.00 0.00 H new ATOM 0 HA LEU A 36 13.868 -2.082 -8.745 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.594 -0.523 -8.111 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.313 -1.023 -6.594 1.00 0.00 H new ATOM 0 HG LEU A 36 14.467 -0.084 -7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.687 1.385 -9.232 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.374 -0.306 -9.691 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.064 0.896 -9.774 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.718 2.338 -7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.072 1.817 -7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.776 1.337 -6.077 1.00 0.00 H new ATOM 506 N PRO A 37 14.057 -3.460 -6.455 1.00 0.00 N ATOM 507 CA PRO A 37 14.276 -4.589 -5.570 1.00 0.00 C ATOM 508 C PRO A 37 13.255 -4.513 -4.432 1.00 0.00 C ATOM 509 O PRO A 37 12.843 -3.409 -4.064 1.00 0.00 O ATOM 510 CB PRO A 37 15.729 -4.463 -5.104 1.00 0.00 C ATOM 511 CG PRO A 37 16.036 -2.968 -5.208 1.00 0.00 C ATOM 512 CD PRO A 37 15.025 -2.412 -6.217 1.00 0.00 C ATOM 0 HA PRO A 37 14.136 -5.563 -6.039 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.851 -4.823 -4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.399 -5.051 -5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.934 -2.478 -4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 37 17.059 -2.800 -5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.539 -1.518 -5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.521 -2.125 -7.144 1.00 0.00 H new ATOM 520 N PRO A 38 12.806 -5.663 -3.897 1.00 0.00 N ATOM 521 CA PRO A 38 11.596 -5.740 -3.103 1.00 0.00 C ATOM 522 C PRO A 38 11.630 -4.746 -1.955 1.00 0.00 C ATOM 523 O PRO A 38 10.647 -4.057 -1.717 1.00 0.00 O ATOM 524 CB PRO A 38 11.450 -7.189 -2.642 1.00 0.00 C ATOM 525 CG PRO A 38 12.829 -7.806 -2.861 1.00 0.00 C ATOM 526 CD PRO A 38 13.443 -6.966 -3.982 1.00 0.00 C ATOM 0 HA PRO A 38 10.720 -5.463 -3.689 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.154 -7.243 -1.594 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.686 -7.712 -3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.433 -7.763 -1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.755 -8.856 -3.145 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.523 -6.882 -3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.267 -7.424 -4.955 1.00 0.00 H new ATOM 534 N GLU A 39 12.765 -4.613 -1.271 1.00 0.00 N ATOM 535 CA GLU A 39 12.810 -3.770 -0.096 1.00 0.00 C ATOM 536 C GLU A 39 12.595 -2.274 -0.368 1.00 0.00 C ATOM 537 O GLU A 39 12.125 -1.562 0.526 1.00 0.00 O ATOM 538 CB GLU A 39 13.979 -4.148 0.810 1.00 0.00 C ATOM 539 CG GLU A 39 13.779 -5.582 1.348 1.00 0.00 C ATOM 540 CD GLU A 39 12.536 -5.676 2.235 1.00 0.00 C ATOM 541 OE1 GLU A 39 12.555 -5.075 3.331 1.00 0.00 O ATOM 542 OE2 GLU A 39 11.488 -6.157 1.752 1.00 0.00 O ATOM 0 H GLU A 39 13.645 -5.071 -1.510 1.00 0.00 H new ATOM 0 HA GLU A 39 11.920 -3.985 0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.916 -4.084 0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.051 -3.445 1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.685 -6.276 0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.658 -5.885 1.917 1.00 0.00 H new ATOM 549 N GLU A 40 12.815 -1.799 -1.599 1.00 0.00 N ATOM 550 CA GLU A 40 12.398 -0.462 -1.990 1.00 0.00 C ATOM 551 C GLU A 40 10.901 -0.407 -2.314 1.00 0.00 C ATOM 552 O GLU A 40 10.308 0.664 -2.302 1.00 0.00 O ATOM 553 CB GLU A 40 13.217 0.002 -3.202 1.00 0.00 C ATOM 554 CG GLU A 40 13.846 1.376 -2.960 1.00 0.00 C ATOM 555 CD GLU A 40 12.823 2.493 -2.754 1.00 0.00 C ATOM 556 OE1 GLU A 40 12.312 3.016 -3.771 1.00 0.00 O ATOM 557 OE2 GLU A 40 12.534 2.793 -1.572 1.00 0.00 O ATOM 0 H GLU A 40 13.281 -2.327 -2.337 1.00 0.00 H new ATOM 0 HA GLU A 40 12.578 0.206 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.000 -0.726 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.575 0.044 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.492 1.321 -2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.481 1.629 -3.809 1.00 0.00 H new ATOM 564 N GLN A 41 10.260 -1.520 -2.662 1.00 0.00 N ATOM 565 CA GLN A 41 8.878 -1.476 -3.115 1.00 0.00 C ATOM 566 C GLN A 41 7.976 -1.053 -1.962 1.00 0.00 C ATOM 567 O GLN A 41 7.914 -1.747 -0.949 1.00 0.00 O ATOM 568 CB GLN A 41 8.428 -2.838 -3.644 1.00 0.00 C ATOM 569 CG GLN A 41 9.310 -3.314 -4.796 1.00 0.00 C ATOM 570 CD GLN A 41 8.780 -4.594 -5.428 1.00 0.00 C ATOM 571 OE1 GLN A 41 7.681 -5.055 -5.117 1.00 0.00 O ATOM 572 NE2 GLN A 41 9.572 -5.163 -6.326 1.00 0.00 N ATOM 0 H GLN A 41 10.672 -2.453 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 41 8.807 -0.752 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.457 -3.570 -2.837 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.393 -2.774 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.369 -2.533 -5.554 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.323 -3.482 -4.431 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.474 -4.743 -6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.279 -6.021 -6.793 1.00 0.00 H new ATOM 581 N HIS A 42 7.262 0.059 -2.102 1.00 0.00 N ATOM 582 CA HIS A 42 6.288 0.498 -1.113 1.00 0.00 C ATOM 583 C HIS A 42 5.385 1.517 -1.794 1.00 0.00 C ATOM 584 O HIS A 42 5.872 2.183 -2.703 1.00 0.00 O ATOM 585 CB HIS A 42 7.000 1.098 0.116 1.00 0.00 C ATOM 586 CG HIS A 42 8.138 2.036 -0.230 1.00 0.00 C ATOM 587 ND1 HIS A 42 8.153 2.885 -1.318 1.00 0.00 N ATOM 588 CD2 HIS A 42 9.408 1.990 0.282 1.00 0.00 C ATOM 589 CE1 HIS A 42 9.403 3.359 -1.461 1.00 0.00 C ATOM 590 NE2 HIS A 42 10.181 2.825 -0.506 1.00 0.00 N ATOM 0 H HIS A 42 7.344 0.681 -2.906 1.00 0.00 H new ATOM 0 HA HIS A 42 5.693 -0.339 -0.748 1.00 0.00 H new ATOM 0 HB2 HIS A 42 6.269 1.636 0.720 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.386 0.286 0.732 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.741 1.415 1.133 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.728 4.055 -2.220 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.177 3.005 -0.382 1.00 0.00 H new ATOM 599 N CYS A 43 4.130 1.670 -1.377 1.00 0.00 N ATOM 600 CA CYS A 43 3.139 2.524 -2.027 1.00 0.00 C ATOM 601 C CYS A 43 3.719 3.879 -2.485 1.00 0.00 C ATOM 602 O CYS A 43 3.432 4.344 -3.583 1.00 0.00 O ATOM 603 CB CYS A 43 1.942 2.704 -1.130 1.00 0.00 C ATOM 604 SG CYS A 43 1.033 1.164 -0.793 1.00 0.00 S ATOM 0 H CYS A 43 3.764 1.190 -0.555 1.00 0.00 H new ATOM 0 HA CYS A 43 2.821 2.018 -2.938 1.00 0.00 H new ATOM 0 HB2 CYS A 43 2.271 3.134 -0.184 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.262 3.423 -1.588 1.00 0.00 H new ATOM 609 N ALA A 44 4.591 4.504 -1.684 1.00 0.00 N ATOM 610 CA ALA A 44 5.285 5.743 -2.043 1.00 0.00 C ATOM 611 C ALA A 44 5.886 5.754 -3.463 1.00 0.00 C ATOM 612 O ALA A 44 5.889 6.800 -4.109 1.00 0.00 O ATOM 613 CB ALA A 44 6.365 6.049 -1.001 1.00 0.00 C ATOM 0 H ALA A 44 4.836 4.157 -0.757 1.00 0.00 H new ATOM 0 HA ALA A 44 4.525 6.525 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.880 6.971 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.902 6.165 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.082 5.229 -0.969 1.00 0.00 H new ATOM 619 N ASN A 45 6.413 4.619 -3.944 1.00 0.00 N ATOM 620 CA ASN A 45 6.979 4.458 -5.288 1.00 0.00 C ATOM 621 C ASN A 45 6.139 3.500 -6.139 1.00 0.00 C ATOM 622 O ASN A 45 6.653 2.929 -7.103 1.00 0.00 O ATOM 623 CB ASN A 45 8.459 4.028 -5.230 1.00 0.00 C ATOM 624 CG ASN A 45 8.691 2.600 -4.732 1.00 0.00 C ATOM 625 OD1 ASN A 45 7.767 1.835 -4.479 1.00 0.00 O ATOM 626 ND2 ASN A 45 9.936 2.216 -4.499 1.00 0.00 N ATOM 0 H ASN A 45 6.458 3.763 -3.391 1.00 0.00 H new ATOM 0 HA ASN A 45 6.948 5.432 -5.776 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.891 4.126 -6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.998 4.717 -4.580 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.120 1.290 -4.112 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.711 2.846 -4.706 1.00 0.00 H new ATOM 633 N CYS A 46 4.848 3.365 -5.819 1.00 0.00 N ATOM 634 CA CYS A 46 3.874 2.606 -6.586 1.00 0.00 C ATOM 635 C CYS A 46 3.102 3.555 -7.516 1.00 0.00 C ATOM 636 O CYS A 46 2.947 4.745 -7.227 1.00 0.00 O ATOM 637 CB CYS A 46 2.944 1.926 -5.622 1.00 0.00 C ATOM 638 SG CYS A 46 1.766 0.835 -6.443 1.00 0.00 S ATOM 0 H CYS A 46 4.446 3.799 -4.988 1.00 0.00 H new ATOM 0 HA CYS A 46 4.368 1.855 -7.203 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.529 1.349 -4.905 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.399 2.681 -5.055 1.00 0.00 H new ATOM 643 N GLN A 47 2.630 3.046 -8.652 1.00 0.00 N ATOM 644 CA GLN A 47 1.737 3.730 -9.573 1.00 0.00 C ATOM 645 C GLN A 47 0.415 4.048 -8.851 1.00 0.00 C ATOM 646 O GLN A 47 0.177 3.593 -7.733 1.00 0.00 O ATOM 647 CB GLN A 47 1.548 2.826 -10.804 1.00 0.00 C ATOM 648 CG GLN A 47 1.097 3.570 -12.066 1.00 0.00 C ATOM 649 CD GLN A 47 1.071 2.656 -13.288 1.00 0.00 C ATOM 650 OE1 GLN A 47 0.683 1.496 -13.200 1.00 0.00 O ATOM 651 NE2 GLN A 47 1.491 3.153 -14.447 1.00 0.00 N ATOM 0 H GLN A 47 2.872 2.106 -8.965 1.00 0.00 H new ATOM 0 HA GLN A 47 2.147 4.681 -9.911 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.488 2.315 -11.013 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.813 2.057 -10.567 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.104 3.989 -11.905 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.769 4.407 -12.253 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.810 4.120 -14.501 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.494 2.567 -15.282 1.00 0.00 H new ATOM 660 N PHE A 48 -0.447 4.849 -9.474 1.00 0.00 N ATOM 661 CA PHE A 48 -1.754 5.216 -8.947 1.00 0.00 C ATOM 662 C PHE A 48 -1.591 6.196 -7.775 1.00 0.00 C ATOM 663 O PHE A 48 -0.481 6.645 -7.487 1.00 0.00 O ATOM 664 CB PHE A 48 -2.572 3.970 -8.537 1.00 0.00 C ATOM 665 CG PHE A 48 -2.329 2.682 -9.313 1.00 0.00 C ATOM 666 CD1 PHE A 48 -2.357 2.667 -10.720 1.00 0.00 C ATOM 667 CD2 PHE A 48 -1.954 1.518 -8.615 1.00 0.00 C ATOM 668 CE1 PHE A 48 -1.933 1.520 -11.417 1.00 0.00 C ATOM 669 CE2 PHE A 48 -1.561 0.364 -9.310 1.00 0.00 C ATOM 670 CZ PHE A 48 -1.539 0.368 -10.714 1.00 0.00 C ATOM 0 H PHE A 48 -0.248 5.270 -10.382 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.316 5.714 -9.737 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.375 3.770 -7.484 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.630 4.219 -8.622 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.703 3.534 -11.264 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.969 1.513 -7.535 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.910 1.525 -12.497 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.276 -0.525 -8.767 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.220 -0.512 -11.253 1.00 0.00 H new ATOM 680 N MET A 49 -2.710 6.503 -7.110 1.00 0.00 N ATOM 681 CA MET A 49 -2.884 7.181 -5.823 1.00 0.00 C ATOM 682 C MET A 49 -4.199 7.956 -5.837 1.00 0.00 C ATOM 683 O MET A 49 -4.709 8.309 -6.901 1.00 0.00 O ATOM 684 CB MET A 49 -1.729 8.110 -5.405 1.00 0.00 C ATOM 685 CG MET A 49 -0.694 7.363 -4.553 1.00 0.00 C ATOM 686 SD MET A 49 0.754 8.350 -4.106 1.00 0.00 S ATOM 687 CE MET A 49 1.642 7.138 -3.109 1.00 0.00 C ATOM 0 H MET A 49 -3.616 6.254 -7.506 1.00 0.00 H new ATOM 0 HA MET A 49 -2.893 6.391 -5.072 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.246 8.517 -6.294 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.125 8.955 -4.842 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.176 7.013 -3.640 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.362 6.479 -5.097 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.067 7.629 -2.233 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.954 6.356 -2.788 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.443 6.696 -3.702 1.00 0.00 H new ATOM 697 N GLN A 50 -4.730 8.210 -4.641 1.00 0.00 N ATOM 698 CA GLN A 50 -5.798 9.157 -4.372 1.00 0.00 C ATOM 699 C GLN A 50 -5.324 10.004 -3.193 1.00 0.00 C ATOM 700 O GLN A 50 -5.627 9.750 -2.026 1.00 0.00 O ATOM 701 CB GLN A 50 -7.097 8.430 -4.045 1.00 0.00 C ATOM 702 CG GLN A 50 -7.559 7.527 -5.193 1.00 0.00 C ATOM 703 CD GLN A 50 -8.946 6.946 -4.944 1.00 0.00 C ATOM 704 OE1 GLN A 50 -9.945 7.492 -5.399 1.00 0.00 O ATOM 705 NE2 GLN A 50 -9.046 5.814 -4.254 1.00 0.00 N ATOM 0 H GLN A 50 -4.408 7.736 -3.797 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.008 9.780 -5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.959 7.830 -3.146 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.875 9.161 -3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.567 8.098 -6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.844 6.714 -5.324 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.208 5.369 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.961 5.391 -4.098 1.00 0.00 H new ATOM 714 N ALA A 51 -4.497 10.991 -3.506 1.00 0.00 N ATOM 715 CA ALA A 51 -3.931 11.911 -2.533 1.00 0.00 C ATOM 716 C ALA A 51 -4.994 12.845 -1.966 1.00 0.00 C ATOM 717 O ALA A 51 -4.842 13.370 -0.866 1.00 0.00 O ATOM 718 CB ALA A 51 -2.759 12.678 -3.137 1.00 0.00 C ATOM 0 H ALA A 51 -4.195 11.177 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.547 11.328 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.349 13.361 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.986 11.975 -3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.103 13.246 -4.001 1.00 0.00 H new ATOM 724 N ASP A 52 -6.075 13.012 -2.723 1.00 0.00 N ATOM 725 CA ASP A 52 -7.301 13.680 -2.353 1.00 0.00 C ATOM 726 C ASP A 52 -8.069 12.930 -1.255 1.00 0.00 C ATOM 727 O ASP A 52 -8.957 13.517 -0.640 1.00 0.00 O ATOM 728 CB ASP A 52 -8.170 13.777 -3.615 1.00 0.00 C ATOM 729 CG ASP A 52 -8.443 12.393 -4.193 1.00 0.00 C ATOM 730 OD1 ASP A 52 -7.438 11.763 -4.601 1.00 0.00 O ATOM 731 OD2 ASP A 52 -9.617 11.975 -4.170 1.00 0.00 O ATOM 0 H ASP A 52 -6.111 12.655 -3.678 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.060 14.664 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.113 14.268 -3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.669 14.395 -4.360 1.00 0.00 H new ATOM 736 N ALA A 53 -7.772 11.643 -1.026 1.00 0.00 N ATOM 737 CA ALA A 53 -8.566 10.807 -0.132 1.00 0.00 C ATOM 738 C ALA A 53 -8.747 11.434 1.257 1.00 0.00 C ATOM 739 O ALA A 53 -7.801 11.947 1.859 1.00 0.00 O ATOM 740 CB ALA A 53 -7.954 9.412 -0.030 1.00 0.00 C ATOM 0 H ALA A 53 -6.981 11.161 -1.454 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.563 10.725 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.556 8.799 0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.929 8.953 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.939 9.488 0.361 1.00 0.00 H new ATOM 746 N ALA A 54 -9.984 11.386 1.764 1.00 0.00 N ATOM 747 CA ALA A 54 -10.371 12.047 3.000 1.00 0.00 C ATOM 748 C ALA A 54 -9.479 11.622 4.167 1.00 0.00 C ATOM 749 O ALA A 54 -9.433 10.450 4.537 1.00 0.00 O ATOM 750 CB ALA A 54 -11.838 11.764 3.318 1.00 0.00 C ATOM 0 H ALA A 54 -10.748 10.879 1.317 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.241 13.120 2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.112 12.266 4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -12.464 12.134 2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.986 10.690 3.429 1.00 0.00 H new ATOM 756 N GLY A 55 -8.788 12.601 4.751 1.00 0.00 N ATOM 757 CA GLY A 55 -7.895 12.399 5.879 1.00 0.00 C ATOM 758 C GLY A 55 -6.486 11.968 5.466 1.00 0.00 C ATOM 759 O GLY A 55 -5.707 11.573 6.334 1.00 0.00 O ATOM 0 H GLY A 55 -8.838 13.572 4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.831 13.323 6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.320 11.643 6.539 1.00 0.00 H new ATOM 763 N ALA A 56 -6.127 12.044 4.176 1.00 0.00 N ATOM 764 CA ALA A 56 -4.743 11.833 3.770 1.00 0.00 C ATOM 765 C ALA A 56 -3.825 12.797 4.523 1.00 0.00 C ATOM 766 O ALA A 56 -4.095 13.995 4.593 1.00 0.00 O ATOM 767 CB ALA A 56 -4.580 12.006 2.251 1.00 0.00 C ATOM 0 H ALA A 56 -6.770 12.247 3.411 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.463 10.810 4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.538 11.843 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.209 11.283 1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.877 13.015 1.966 1.00 0.00 H new ATOM 773 N THR A 57 -2.742 12.257 5.081 1.00 0.00 N ATOM 774 CA THR A 57 -1.626 13.024 5.601 1.00 0.00 C ATOM 775 C THR A 57 -0.563 12.967 4.507 1.00 0.00 C ATOM 776 O THR A 57 -0.918 13.050 3.333 1.00 0.00 O ATOM 777 CB THR A 57 -1.194 12.441 6.957 1.00 0.00 C ATOM 778 OG1 THR A 57 -0.640 11.150 6.803 1.00 0.00 O ATOM 779 CG2 THR A 57 -2.400 12.347 7.901 1.00 0.00 C ATOM 0 H THR A 57 -2.620 11.250 5.183 1.00 0.00 H new ATOM 0 HA THR A 57 -1.856 14.068 5.815 1.00 0.00 H new ATOM 0 HB THR A 57 -0.440 13.107 7.377 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.416 10.783 7.684 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.082 11.933 8.858 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.818 13.341 8.057 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.158 11.700 7.460 1.00 0.00 H new ATOM 787 N ASP A 58 0.708 12.761 4.849 1.00 0.00 N ATOM 788 CA ASP A 58 1.725 12.257 3.927 1.00 0.00 C ATOM 789 C ASP A 58 2.220 10.876 4.336 1.00 0.00 C ATOM 790 O ASP A 58 2.876 10.205 3.546 1.00 0.00 O ATOM 791 CB ASP A 58 2.897 13.227 3.882 1.00 0.00 C ATOM 792 CG ASP A 58 2.527 14.442 3.047 1.00 0.00 C ATOM 793 OD1 ASP A 58 2.183 14.217 1.859 1.00 0.00 O ATOM 794 OD2 ASP A 58 2.525 15.555 3.608 1.00 0.00 O ATOM 0 H ASP A 58 1.065 12.942 5.787 1.00 0.00 H new ATOM 0 HA ASP A 58 1.271 12.172 2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.164 13.536 4.892 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.772 12.735 3.457 1.00 0.00 H new ATOM 799 N GLU A 59 1.897 10.442 5.553 1.00 0.00 N ATOM 800 CA GLU A 59 2.209 9.109 6.015 1.00 0.00 C ATOM 801 C GLU A 59 1.104 8.198 5.476 1.00 0.00 C ATOM 802 O GLU A 59 1.342 7.051 5.107 1.00 0.00 O ATOM 803 CB GLU A 59 2.278 9.190 7.545 1.00 0.00 C ATOM 804 CG GLU A 59 2.526 7.852 8.260 1.00 0.00 C ATOM 805 CD GLU A 59 3.863 7.192 7.935 1.00 0.00 C ATOM 806 OE1 GLU A 59 4.765 7.881 7.412 1.00 0.00 O ATOM 807 OE2 GLU A 59 3.961 5.976 8.223 1.00 0.00 O ATOM 0 H GLU A 59 1.410 11.015 6.242 1.00 0.00 H new ATOM 0 HA GLU A 59 3.160 8.704 5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.072 9.884 7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.343 9.613 7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.469 8.015 9.336 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.723 7.162 7.999 1.00 0.00 H new ATOM 814 N TRP A 60 -0.110 8.750 5.386 1.00 0.00 N ATOM 815 CA TRP A 60 -1.307 8.073 4.964 1.00 0.00 C ATOM 816 C TRP A 60 -1.846 8.752 3.714 1.00 0.00 C ATOM 817 O TRP A 60 -2.007 9.970 3.721 1.00 0.00 O ATOM 818 CB TRP A 60 -2.294 8.163 6.120 1.00 0.00 C ATOM 819 CG TRP A 60 -1.823 7.452 7.346 1.00 0.00 C ATOM 820 CD1 TRP A 60 -1.134 8.006 8.368 1.00 0.00 C ATOM 821 CD2 TRP A 60 -1.896 6.027 7.639 1.00 0.00 C ATOM 822 NE1 TRP A 60 -0.756 7.027 9.257 1.00 0.00 N ATOM 823 CE2 TRP A 60 -1.225 5.788 8.873 1.00 0.00 C ATOM 824 CE3 TRP A 60 -2.463 4.912 6.986 1.00 0.00 C ATOM 825 CZ2 TRP A 60 -1.145 4.511 9.444 1.00 0.00 C ATOM 826 CZ3 TRP A 60 -2.378 3.624 7.543 1.00 0.00 C ATOM 827 CH2 TRP A 60 -1.765 3.431 8.793 1.00 0.00 C ATOM 0 H TRP A 60 -0.276 9.729 5.620 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.124 7.027 4.717 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.470 9.212 6.360 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.250 7.743 5.808 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -0.914 9.058 8.471 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.199 7.196 10.095 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.971 5.050 6.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.614 4.359 10.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.786 2.779 7.008 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -1.770 2.454 9.253 1.00 0.00 H new ATOM 838 N LYS A 61 -2.124 7.983 2.660 1.00 0.00 N ATOM 839 CA LYS A 61 -2.730 8.486 1.426 1.00 0.00 C ATOM 840 C LYS A 61 -3.762 7.460 0.938 1.00 0.00 C ATOM 841 O LYS A 61 -3.842 6.374 1.500 1.00 0.00 O ATOM 842 CB LYS A 61 -1.637 8.767 0.369 1.00 0.00 C ATOM 843 CG LYS A 61 -1.595 10.224 -0.111 1.00 0.00 C ATOM 844 CD LYS A 61 -0.695 11.163 0.710 1.00 0.00 C ATOM 845 CE LYS A 61 -0.901 12.607 0.211 1.00 0.00 C ATOM 846 NZ LYS A 61 -0.084 13.625 0.914 1.00 0.00 N ATOM 0 H LYS A 61 -1.932 6.981 2.639 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.241 9.432 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.665 8.505 0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.801 8.116 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.257 10.238 -1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.610 10.621 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.941 11.091 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.350 10.872 0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.670 12.646 -0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.954 12.868 0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.085 14.509 0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.485 13.801 1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.892 13.279 1.012 1.00 0.00 H new ATOM 860 N GLY A 62 -4.565 7.769 -0.085 1.00 0.00 N ATOM 861 CA GLY A 62 -5.452 6.778 -0.682 1.00 0.00 C ATOM 862 C GLY A 62 -4.765 6.108 -1.871 1.00 0.00 C ATOM 863 O GLY A 62 -3.857 6.692 -2.465 1.00 0.00 O ATOM 0 H GLY A 62 -4.616 8.694 -0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.725 6.028 0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.376 7.255 -1.007 1.00 0.00 H new ATOM 867 N CYS A 63 -5.221 4.905 -2.234 1.00 0.00 N ATOM 868 CA CYS A 63 -4.800 4.180 -3.427 1.00 0.00 C ATOM 869 C CYS A 63 -6.043 3.937 -4.286 1.00 0.00 C ATOM 870 O CYS A 63 -7.147 3.809 -3.756 1.00 0.00 O ATOM 871 CB CYS A 63 -4.062 2.918 -3.042 1.00 0.00 C ATOM 872 SG CYS A 63 -3.545 2.047 -4.544 1.00 0.00 S ATOM 0 H CYS A 63 -5.915 4.397 -1.685 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.089 4.756 -4.020 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.193 3.163 -2.432 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.704 2.277 -2.438 1.00 0.00 H new ATOM 877 N GLN A 64 -5.903 3.950 -5.615 1.00 0.00 N ATOM 878 CA GLN A 64 -7.038 3.869 -6.536 1.00 0.00 C ATOM 879 C GLN A 64 -7.766 2.533 -6.405 1.00 0.00 C ATOM 880 O GLN A 64 -8.988 2.480 -6.509 1.00 0.00 O ATOM 881 CB GLN A 64 -6.584 4.149 -7.973 1.00 0.00 C ATOM 882 CG GLN A 64 -6.240 5.639 -8.106 1.00 0.00 C ATOM 883 CD GLN A 64 -5.542 5.989 -9.415 1.00 0.00 C ATOM 884 OE1 GLN A 64 -5.577 5.235 -10.379 1.00 0.00 O ATOM 885 NE2 GLN A 64 -4.855 7.127 -9.439 1.00 0.00 N ATOM 0 H GLN A 64 -4.999 4.017 -6.082 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.759 4.641 -6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.715 3.538 -8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.372 3.880 -8.676 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.156 6.224 -8.025 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.600 5.932 -7.273 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.845 7.734 -8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.338 7.393 -10.277 1.00 0.00 H new ATOM 894 N LEU A 65 -7.028 1.462 -6.103 1.00 0.00 N ATOM 895 CA LEU A 65 -7.612 0.154 -5.840 1.00 0.00 C ATOM 896 C LEU A 65 -8.184 0.086 -4.415 1.00 0.00 C ATOM 897 O LEU A 65 -8.575 -0.990 -3.967 1.00 0.00 O ATOM 898 CB LEU A 65 -6.555 -0.944 -6.059 1.00 0.00 C ATOM 899 CG LEU A 65 -6.139 -1.157 -7.528 1.00 0.00 C ATOM 900 CD1 LEU A 65 -5.228 -0.045 -8.072 1.00 0.00 C ATOM 901 CD2 LEU A 65 -5.409 -2.501 -7.643 1.00 0.00 C ATOM 0 H LEU A 65 -6.010 1.482 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.435 -0.008 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.667 -0.696 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.941 -1.884 -5.665 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.050 -1.140 -8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.974 -0.258 -9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.747 0.912 -8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.316 0.001 -7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.109 -2.665 -8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.525 -2.490 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.074 -3.305 -7.327 1.00 0.00 H new ATOM 913 N PHE A 66 -8.215 1.208 -3.683 1.00 0.00 N ATOM 914 CA PHE A 66 -8.437 1.236 -2.245 1.00 0.00 C ATOM 915 C PHE A 66 -9.289 2.462 -1.875 1.00 0.00 C ATOM 916 O PHE A 66 -8.828 3.358 -1.169 1.00 0.00 O ATOM 917 CB PHE A 66 -7.041 1.215 -1.579 1.00 0.00 C ATOM 918 CG PHE A 66 -6.761 0.063 -0.642 1.00 0.00 C ATOM 919 CD1 PHE A 66 -7.716 -0.321 0.314 1.00 0.00 C ATOM 920 CD2 PHE A 66 -5.521 -0.605 -0.703 1.00 0.00 C ATOM 921 CE1 PHE A 66 -7.478 -1.438 1.129 1.00 0.00 C ATOM 922 CE2 PHE A 66 -5.287 -1.723 0.114 1.00 0.00 C ATOM 923 CZ PHE A 66 -6.295 -2.181 0.978 1.00 0.00 C ATOM 0 H PHE A 66 -8.083 2.135 -4.089 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.002 0.375 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.287 1.206 -2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.913 2.145 -1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.631 0.242 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.752 -0.257 -1.377 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.205 -1.727 1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.334 -2.230 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.161 -3.102 1.525 1.00 0.00 H new ATOM 933 N PRO A 67 -10.541 2.530 -2.357 1.00 0.00 N ATOM 934 CA PRO A 67 -11.379 3.708 -2.213 1.00 0.00 C ATOM 935 C PRO A 67 -11.820 3.911 -0.766 1.00 0.00 C ATOM 936 O PRO A 67 -12.032 2.953 -0.024 1.00 0.00 O ATOM 937 CB PRO A 67 -12.570 3.491 -3.146 1.00 0.00 C ATOM 938 CG PRO A 67 -12.676 1.967 -3.236 1.00 0.00 C ATOM 939 CD PRO A 67 -11.227 1.493 -3.111 1.00 0.00 C ATOM 0 HA PRO A 67 -10.835 4.615 -2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.481 3.934 -2.744 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.401 3.941 -4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.300 1.562 -2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.120 1.652 -4.180 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.171 0.533 -2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.773 1.356 -4.092 1.00 0.00 H new ATOM 947 N GLY A 68 -11.926 5.178 -0.358 1.00 0.00 N ATOM 948 CA GLY A 68 -12.376 5.604 0.963 1.00 0.00 C ATOM 949 C GLY A 68 -11.291 5.424 2.024 1.00 0.00 C ATOM 950 O GLY A 68 -11.077 6.291 2.874 1.00 0.00 O ATOM 0 H GLY A 68 -11.691 5.963 -0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.674 6.652 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.259 5.032 1.247 1.00 0.00 H new ATOM 954 N LYS A 69 -10.625 4.271 1.993 1.00 0.00 N ATOM 955 CA LYS A 69 -9.612 3.936 2.971 1.00 0.00 C ATOM 956 C LYS A 69 -8.341 4.754 2.722 1.00 0.00 C ATOM 957 O LYS A 69 -8.209 5.405 1.686 1.00 0.00 O ATOM 958 CB LYS A 69 -9.280 2.437 2.930 1.00 0.00 C ATOM 959 CG LYS A 69 -10.506 1.513 2.888 1.00 0.00 C ATOM 960 CD LYS A 69 -10.343 0.345 3.874 1.00 0.00 C ATOM 961 CE LYS A 69 -10.687 0.788 5.308 1.00 0.00 C ATOM 962 NZ LYS A 69 -10.024 -0.045 6.331 1.00 0.00 N ATOM 0 H LYS A 69 -10.778 3.550 1.288 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.007 4.176 3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.662 2.239 2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.682 2.186 3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.403 2.080 3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.641 1.126 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.991 -0.480 3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.319 -0.026 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.392 1.828 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.767 0.742 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.724 -0.349 7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.603 -0.881 5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.278 0.508 6.799 1.00 0.00 H new ATOM 976 N LEU A 70 -7.387 4.685 3.655 1.00 0.00 N ATOM 977 CA LEU A 70 -6.056 5.257 3.488 1.00 0.00 C ATOM 978 C LEU A 70 -4.996 4.175 3.662 1.00 0.00 C ATOM 979 O LEU A 70 -4.870 3.590 4.738 1.00 0.00 O ATOM 980 CB LEU A 70 -5.821 6.388 4.491 1.00 0.00 C ATOM 981 CG LEU A 70 -6.736 7.591 4.246 1.00 0.00 C ATOM 982 CD1 LEU A 70 -6.682 8.499 5.475 1.00 0.00 C ATOM 983 CD2 LEU A 70 -6.333 8.393 3.006 1.00 0.00 C ATOM 0 H LEU A 70 -7.523 4.225 4.555 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.983 5.670 2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.983 6.012 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.781 6.709 4.434 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.745 7.217 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.329 9.362 5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.021 7.946 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.658 8.837 5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.015 9.234 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.316 8.765 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.381 7.751 2.126 1.00 0.00 H new ATOM 995 N ILE A 71 -4.220 3.917 2.612 1.00 0.00 N ATOM 996 CA ILE A 71 -3.000 3.139 2.717 1.00 0.00 C ATOM 997 C ILE A 71 -1.963 3.982 3.454 1.00 0.00 C ATOM 998 O ILE A 71 -2.048 5.212 3.454 1.00 0.00 O ATOM 999 CB ILE A 71 -2.492 2.760 1.316 1.00 0.00 C ATOM 1000 CG1 ILE A 71 -2.352 3.993 0.403 1.00 0.00 C ATOM 1001 CG2 ILE A 71 -3.435 1.737 0.675 1.00 0.00 C ATOM 1002 CD1 ILE A 71 -1.251 3.809 -0.630 1.00 0.00 C ATOM 0 H ILE A 71 -4.424 4.244 1.667 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.185 2.216 3.266 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.501 2.321 1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.299 4.179 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.137 4.872 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.067 1.475 -0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.476 0.842 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.433 2.166 0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.185 4.700 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.299 3.649 -0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.479 2.945 -1.255 1.00 0.00 H new ATOM 1014 N ASN A 72 -0.958 3.340 4.050 1.00 0.00 N ATOM 1015 CA ASN A 72 0.230 4.052 4.475 1.00 0.00 C ATOM 1016 C ASN A 72 1.200 4.050 3.297 1.00 0.00 C ATOM 1017 O ASN A 72 1.387 3.005 2.678 1.00 0.00 O ATOM 1018 CB ASN A 72 0.825 3.357 5.702 1.00 0.00 C ATOM 1019 CG ASN A 72 1.949 4.174 6.321 1.00 0.00 C ATOM 1020 OD1 ASN A 72 2.864 4.591 5.623 1.00 0.00 O ATOM 1021 ND2 ASN A 72 1.905 4.390 7.630 1.00 0.00 N ATOM 0 H ASN A 72 -0.949 2.339 4.244 1.00 0.00 H new ATOM 0 HA ASN A 72 0.008 5.080 4.761 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.043 3.194 6.443 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.203 2.375 5.417 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.649 4.919 8.085 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.127 4.027 8.181 1.00 0.00 H new ATOM 1028 N VAL A 73 1.822 5.188 2.983 1.00 0.00 N ATOM 1029 CA VAL A 73 2.781 5.297 1.877 1.00 0.00 C ATOM 1030 C VAL A 73 3.923 4.285 2.019 1.00 0.00 C ATOM 1031 O VAL A 73 4.518 3.833 1.041 1.00 0.00 O ATOM 1032 CB VAL A 73 3.327 6.729 1.780 1.00 0.00 C ATOM 1033 CG1 VAL A 73 2.163 7.713 1.705 1.00 0.00 C ATOM 1034 CG2 VAL A 73 4.255 7.114 2.943 1.00 0.00 C ATOM 0 H VAL A 73 1.676 6.062 3.488 1.00 0.00 H new ATOM 0 HA VAL A 73 2.253 5.063 0.953 1.00 0.00 H new ATOM 0 HB VAL A 73 3.932 6.773 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.550 8.730 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.558 7.495 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.548 7.619 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.602 8.138 2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.710 7.037 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.112 6.440 2.963 1.00 0.00 H new ATOM 1044 N ASN A 74 4.230 3.960 3.271 1.00 0.00 N ATOM 1045 CA ASN A 74 5.274 3.025 3.665 1.00 0.00 C ATOM 1046 C ASN A 74 4.831 1.560 3.552 1.00 0.00 C ATOM 1047 O ASN A 74 5.644 0.674 3.811 1.00 0.00 O ATOM 1048 CB ASN A 74 5.692 3.337 5.111 1.00 0.00 C ATOM 1049 CG ASN A 74 6.220 4.761 5.261 1.00 0.00 C ATOM 1050 OD1 ASN A 74 7.114 5.175 4.527 1.00 0.00 O ATOM 1051 ND2 ASN A 74 5.670 5.518 6.200 1.00 0.00 N ATOM 0 H ASN A 74 3.737 4.358 4.070 1.00 0.00 H new ATOM 0 HA ASN A 74 6.114 3.150 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.838 3.196 5.773 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.460 2.631 5.426 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.987 6.478 6.331 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.930 5.140 6.791 1.00 0.00 H new ATOM 1058 N GLY A 75 3.572 1.288 3.188 1.00 0.00 N ATOM 1059 CA GLY A 75 3.060 -0.066 3.011 1.00 0.00 C ATOM 1060 C GLY A 75 3.357 -0.602 1.615 1.00 0.00 C ATOM 1061 O GLY A 75 4.079 0.033 0.852 1.00 0.00 O ATOM 0 H GLY A 75 2.877 2.013 3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.506 -0.724 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.984 -0.074 3.183 1.00 0.00 H new ATOM 1065 N TRP A 76 2.820 -1.779 1.286 1.00 0.00 N ATOM 1066 CA TRP A 76 2.939 -2.427 -0.019 1.00 0.00 C ATOM 1067 C TRP A 76 1.680 -3.262 -0.230 1.00 0.00 C ATOM 1068 O TRP A 76 1.106 -3.689 0.772 1.00 0.00 O ATOM 1069 CB TRP A 76 4.175 -3.340 -0.012 1.00 0.00 C ATOM 1070 CG TRP A 76 4.487 -4.103 -1.272 1.00 0.00 C ATOM 1071 CD1 TRP A 76 5.450 -3.758 -2.152 1.00 0.00 C ATOM 1072 CD2 TRP A 76 3.990 -5.400 -1.734 1.00 0.00 C ATOM 1073 NE1 TRP A 76 5.596 -4.736 -3.114 1.00 0.00 N ATOM 1074 CE2 TRP A 76 4.719 -5.775 -2.904 1.00 0.00 C ATOM 1075 CE3 TRP A 76 3.047 -6.333 -1.253 1.00 0.00 C ATOM 1076 CZ2 TRP A 76 4.531 -7.006 -3.549 1.00 0.00 C ATOM 1077 CZ3 TRP A 76 2.894 -7.594 -1.856 1.00 0.00 C ATOM 1078 CH2 TRP A 76 3.634 -7.934 -3.000 1.00 0.00 C ATOM 0 H TRP A 76 2.270 -2.327 1.948 1.00 0.00 H new ATOM 0 HA TRP A 76 3.047 -1.693 -0.817 1.00 0.00 H new ATOM 0 HB2 TRP A 76 5.043 -2.728 0.233 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.055 -4.061 0.796 1.00 0.00 H new ATOM 0 HD1 TRP A 76 6.025 -2.845 -2.109 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.267 -4.694 -3.881 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.431 -6.073 -0.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 5.070 -7.236 -4.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 2.201 -8.308 -1.435 1.00 0.00 H new ATOM 0 HH2 TRP A 76 3.513 -8.906 -3.455 1.00 0.00 H new ATOM 1089 N CYS A 77 1.296 -3.520 -1.491 1.00 0.00 N ATOM 1090 CA CYS A 77 0.310 -4.528 -1.877 1.00 0.00 C ATOM 1091 C CYS A 77 0.753 -5.268 -3.147 1.00 0.00 C ATOM 1092 O CYS A 77 1.657 -4.826 -3.858 1.00 0.00 O ATOM 1093 CB CYS A 77 -1.087 -3.960 -2.006 1.00 0.00 C ATOM 1094 SG CYS A 77 -1.442 -3.276 -3.650 1.00 0.00 S ATOM 0 H CYS A 77 1.678 -3.014 -2.290 1.00 0.00 H new ATOM 0 HA CYS A 77 0.260 -5.256 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.811 -4.744 -1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.223 -3.178 -1.259 1.00 0.00 H new ATOM 1099 N ALA A 78 0.119 -6.411 -3.426 1.00 0.00 N ATOM 1100 CA ALA A 78 0.430 -7.305 -4.538 1.00 0.00 C ATOM 1101 C ALA A 78 0.366 -6.613 -5.899 1.00 0.00 C ATOM 1102 O ALA A 78 1.000 -7.061 -6.852 1.00 0.00 O ATOM 1103 CB ALA A 78 -0.522 -8.504 -4.511 1.00 0.00 C ATOM 0 H ALA A 78 -0.657 -6.750 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 78 1.460 -7.636 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.290 -9.171 -5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.404 -9.041 -3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.550 -8.154 -4.603 1.00 0.00 H new ATOM 1109 N SER A 79 -0.400 -5.528 -6.001 1.00 0.00 N ATOM 1110 CA SER A 79 -0.510 -4.743 -7.217 1.00 0.00 C ATOM 1111 C SER A 79 0.654 -3.760 -7.387 1.00 0.00 C ATOM 1112 O SER A 79 0.643 -3.013 -8.365 1.00 0.00 O ATOM 1113 CB SER A 79 -1.856 -4.010 -7.247 1.00 0.00 C ATOM 1114 OG SER A 79 -2.911 -4.929 -7.037 1.00 0.00 O ATOM 0 H SER A 79 -0.965 -5.170 -5.231 1.00 0.00 H new ATOM 0 HA SER A 79 -0.459 -5.432 -8.060 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.876 -3.238 -6.478 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.985 -3.508 -8.206 1.00 0.00 H new ATOM 0 HG SER A 79 -3.715 -4.616 -7.502 1.00 0.00 H new ATOM 1120 N TRP A 80 1.645 -3.740 -6.479 1.00 0.00 N ATOM 1121 CA TRP A 80 2.760 -2.801 -6.552 1.00 0.00 C ATOM 1122 C TRP A 80 3.345 -2.740 -7.964 1.00 0.00 C ATOM 1123 O TRP A 80 3.663 -3.773 -8.553 1.00 0.00 O ATOM 1124 CB TRP A 80 3.859 -3.125 -5.532 1.00 0.00 C ATOM 1125 CG TRP A 80 4.986 -2.136 -5.567 1.00 0.00 C ATOM 1126 CD1 TRP A 80 5.042 -0.992 -4.849 1.00 0.00 C ATOM 1127 CD2 TRP A 80 6.147 -2.105 -6.455 1.00 0.00 C ATOM 1128 NE1 TRP A 80 6.133 -0.249 -5.247 1.00 0.00 N ATOM 1129 CE2 TRP A 80 6.846 -0.882 -6.242 1.00 0.00 C ATOM 1130 CE3 TRP A 80 6.670 -2.978 -7.434 1.00 0.00 C ATOM 1131 CZ2 TRP A 80 8.000 -0.539 -6.964 1.00 0.00 C ATOM 1132 CZ3 TRP A 80 7.832 -2.650 -8.157 1.00 0.00 C ATOM 1133 CH2 TRP A 80 8.498 -1.435 -7.924 1.00 0.00 C ATOM 0 H TRP A 80 1.689 -4.374 -5.681 1.00 0.00 H new ATOM 0 HA TRP A 80 2.357 -1.820 -6.301 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.427 -3.143 -4.531 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.250 -4.123 -5.729 1.00 0.00 H new ATOM 0 HD1 TRP A 80 4.339 -0.704 -4.081 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.382 0.658 -4.853 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.169 -3.914 -7.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 8.499 0.402 -6.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.215 -3.338 -8.897 1.00 0.00 H new ATOM 0 HH2 TRP A 80 9.390 -1.191 -8.481 1.00 0.00 H new ATOM 1144 N THR A 81 3.455 -1.544 -8.529 1.00 0.00 N ATOM 1145 CA THR A 81 3.862 -1.310 -9.904 1.00 0.00 C ATOM 1146 C THR A 81 4.675 -0.025 -9.857 1.00 0.00 C ATOM 1147 O THR A 81 4.160 0.959 -9.348 1.00 0.00 O ATOM 1148 CB THR A 81 2.585 -1.178 -10.753 1.00 0.00 C ATOM 1149 OG1 THR A 81 1.902 -2.419 -10.739 1.00 0.00 O ATOM 1150 CG2 THR A 81 2.846 -0.772 -12.205 1.00 0.00 C ATOM 0 H THR A 81 3.256 -0.682 -8.022 1.00 0.00 H new ATOM 0 HA THR A 81 4.459 -2.108 -10.346 1.00 0.00 H new ATOM 0 HB THR A 81 1.991 -0.379 -10.309 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.459 -2.539 -9.873 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.898 -0.700 -12.739 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.350 0.194 -12.228 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.476 -1.521 -12.685 1.00 0.00 H new ATOM 1158 N LEU A 82 5.937 -0.032 -10.297 1.00 0.00 N ATOM 1159 CA LEU A 82 6.847 1.095 -10.118 1.00 0.00 C ATOM 1160 C LEU A 82 6.187 2.387 -10.631 1.00 0.00 C ATOM 1161 O LEU A 82 5.576 2.376 -11.699 1.00 0.00 O ATOM 1162 CB LEU A 82 8.153 0.773 -10.862 1.00 0.00 C ATOM 1163 CG LEU A 82 9.436 1.449 -10.337 1.00 0.00 C ATOM 1164 CD1 LEU A 82 10.514 1.323 -11.417 1.00 0.00 C ATOM 1165 CD2 LEU A 82 9.303 2.917 -9.923 1.00 0.00 C ATOM 0 H LEU A 82 6.354 -0.823 -10.788 1.00 0.00 H new ATOM 0 HA LEU A 82 7.074 1.254 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.302 -0.306 -10.835 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.026 1.051 -11.908 1.00 0.00 H new ATOM 0 HG LEU A 82 9.691 0.928 -9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.434 1.794 -11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.702 0.269 -11.623 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.175 1.816 -12.328 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.267 3.285 -9.571 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.980 3.509 -10.779 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.568 3.004 -9.123 1.00 0.00 H new ATOM 1177 N LYS A 83 6.264 3.474 -9.853 1.00 0.00 N ATOM 1178 CA LYS A 83 5.539 4.718 -10.087 1.00 0.00 C ATOM 1179 C LYS A 83 5.819 5.386 -11.439 1.00 0.00 C ATOM 1180 O LYS A 83 6.535 6.382 -11.515 1.00 0.00 O ATOM 1181 CB LYS A 83 5.762 5.689 -8.913 1.00 0.00 C ATOM 1182 CG LYS A 83 4.758 6.847 -8.965 1.00 0.00 C ATOM 1183 CD LYS A 83 4.468 7.450 -7.575 1.00 0.00 C ATOM 1184 CE LYS A 83 3.074 8.099 -7.495 1.00 0.00 C ATOM 1185 NZ LYS A 83 2.013 7.172 -7.939 1.00 0.00 N ATOM 0 H LYS A 83 6.851 3.508 -9.020 1.00 0.00 H new ATOM 0 HA LYS A 83 4.485 4.445 -10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.659 5.155 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.778 6.081 -8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.144 7.627 -9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.825 6.494 -9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.545 6.668 -6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.227 8.196 -7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.877 8.413 -6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.055 8.997 -8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.134 7.377 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.851 7.293 -8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.306 6.192 -7.748 1.00 0.00 H new ATOM 1199 N ALA A 84 5.161 4.893 -12.488 1.00 0.00 N ATOM 1200 CA ALA A 84 5.037 5.547 -13.782 1.00 0.00 C ATOM 1201 C ALA A 84 3.606 6.074 -13.906 1.00 0.00 C ATOM 1202 O ALA A 84 2.833 5.596 -14.735 1.00 0.00 O ATOM 1203 CB ALA A 84 5.395 4.553 -14.892 1.00 0.00 C ATOM 0 H ALA A 84 4.683 3.993 -12.454 1.00 0.00 H new ATOM 0 HA ALA A 84 5.725 6.388 -13.876 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.302 5.042 -15.862 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.420 4.209 -14.755 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.717 3.700 -14.849 1.00 0.00 H new ATOM 1209 N GLY A 85 3.245 7.023 -13.039 1.00 0.00 N ATOM 1210 CA GLY A 85 1.894 7.536 -12.892 1.00 0.00 C ATOM 1211 C GLY A 85 1.436 7.236 -11.471 1.00 0.00 C ATOM 1212 O GLY A 85 0.396 6.565 -11.320 1.00 0.00 O ATOM 1213 OXT GLY A 85 2.164 7.628 -10.534 1.00 0.00 O ATOM 0 H GLY A 85 3.910 7.465 -12.404 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.870 8.609 -13.083 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.227 7.068 -13.616 1.00 0.00 H new TER 1217 GLY A 85 HETATM 1218 FE1 SF4 A 86 0.119 0.619 -2.514 1.00 0.00 FE HETATM 1219 FE2 SF4 A 86 0.447 0.438 -4.961 1.00 0.00 FE HETATM 1220 FE3 SF4 A 86 -1.822 0.975 -4.084 1.00 0.00 FE HETATM 1221 FE4 SF4 A 86 -0.870 -1.310 -3.722 1.00 0.00 FE HETATM 1222 S1 SF4 A 86 -1.385 -0.465 -5.640 1.00 0.00 S HETATM 1223 S2 SF4 A 86 -1.899 -0.139 -2.227 1.00 0.00 S HETATM 1224 S3 SF4 A 86 1.252 -0.939 -3.497 1.00 0.00 S HETATM 1225 S4 SF4 A 86 -0.094 2.244 -3.902 1.00 0.00 S