USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 TYR OH : rot 90:sc= -1.1 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -1.04 K(o=-2.1,f=-0.71) USER MOD Set 2.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 5 SER OG : rot 50:sc= 0.91 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.115 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 12 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.21) USER MOD Single : A 13 GLN : amide:sc= -4.47 K(o=-4.5,f=-13!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -1.68 K(o=-1.7,f=-13!) USER MOD Single : A 27 TYR OH : rot 150:sc= 0 USER MOD Single : A 28 THR OG1 : rot 108:sc= 0.781 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.627 K(o=-0.63,f=-1.6) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.239 USER MOD Single : A 54 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.8) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 67:sc= 1.16 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.069 -12.832 22.620 1.00 0.00 N ATOM 2 CA GLY A 1 -22.882 -13.710 21.480 1.00 0.00 C ATOM 3 C GLY A 1 -21.948 -14.865 21.784 1.00 0.00 C ATOM 4 O GLY A 1 -20.764 -14.660 22.049 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.715 -12.059 22.361 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.475 -13.372 23.411 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.152 -12.435 22.906 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.849 -14.102 21.165 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.484 -13.135 20.644 1.00 0.00 H new ATOM 8 N SER A 2 -22.482 -16.081 21.747 1.00 0.00 N ATOM 9 CA SER A 2 -21.690 -17.273 22.027 1.00 0.00 C ATOM 10 C SER A 2 -21.956 -18.359 20.989 1.00 0.00 C ATOM 11 O SER A 2 -23.064 -18.472 20.464 1.00 0.00 O ATOM 12 CB SER A 2 -22.003 -17.802 23.428 1.00 0.00 C ATOM 13 OG SER A 2 -21.264 -17.103 24.414 1.00 0.00 O ATOM 0 H SER A 2 -23.460 -16.267 21.526 1.00 0.00 H new ATOM 0 HA SER A 2 -20.636 -16.999 21.977 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.070 -17.700 23.629 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.769 -18.865 23.479 1.00 0.00 H new ATOM 0 HG SER A 2 -21.483 -17.459 25.300 1.00 0.00 H new ATOM 19 N SER A 3 -20.932 -19.154 20.698 1.00 0.00 N ATOM 20 CA SER A 3 -21.054 -20.229 19.720 1.00 0.00 C ATOM 21 C SER A 3 -19.776 -21.062 19.667 1.00 0.00 C ATOM 22 O SER A 3 -18.684 -20.562 19.934 1.00 0.00 O ATOM 23 CB SER A 3 -21.360 -19.655 18.335 1.00 0.00 C ATOM 24 OG SER A 3 -20.397 -18.685 17.961 1.00 0.00 O ATOM 0 H SER A 3 -20.009 -19.074 21.125 1.00 0.00 H new ATOM 0 HA SER A 3 -21.876 -20.875 20.027 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.375 -20.459 17.600 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.353 -19.205 18.336 1.00 0.00 H new ATOM 0 HG SER A 3 -20.614 -18.335 17.072 1.00 0.00 H new ATOM 30 N GLY A 4 -19.923 -22.337 19.319 1.00 0.00 N ATOM 31 CA GLY A 4 -18.774 -23.220 19.237 1.00 0.00 C ATOM 32 C GLY A 4 -17.976 -23.016 17.965 1.00 0.00 C ATOM 33 O GLY A 4 -17.647 -23.978 17.269 1.00 0.00 O ATOM 0 H GLY A 4 -20.817 -22.774 19.093 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.128 -23.051 20.099 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.111 -24.255 19.289 1.00 0.00 H new ATOM 37 N SER A 5 -17.664 -21.761 17.658 1.00 0.00 N ATOM 38 CA SER A 5 -16.905 -21.434 16.457 1.00 0.00 C ATOM 39 C SER A 5 -16.409 -19.991 16.504 1.00 0.00 C ATOM 40 O SER A 5 -17.188 -19.051 16.352 1.00 0.00 O ATOM 41 CB SER A 5 -17.764 -21.650 15.210 1.00 0.00 C ATOM 42 OG SER A 5 -18.747 -20.636 15.086 1.00 0.00 O ATOM 0 H SER A 5 -17.925 -20.954 18.225 1.00 0.00 H new ATOM 0 HA SER A 5 -16.040 -22.096 16.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.129 -21.656 14.324 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.248 -22.625 15.262 1.00 0.00 H new ATOM 0 HG SER A 5 -18.324 -19.757 15.182 1.00 0.00 H new ATOM 48 N SER A 6 -15.107 -19.826 16.716 1.00 0.00 N ATOM 49 CA SER A 6 -14.507 -18.499 16.788 1.00 0.00 C ATOM 50 C SER A 6 -13.030 -18.550 16.408 1.00 0.00 C ATOM 51 O SER A 6 -12.432 -19.623 16.341 1.00 0.00 O ATOM 52 CB SER A 6 -14.664 -17.920 18.195 1.00 0.00 C ATOM 53 OG SER A 6 -14.198 -16.583 18.251 1.00 0.00 O ATOM 0 H SER A 6 -14.448 -20.594 16.841 1.00 0.00 H new ATOM 0 HA SER A 6 -15.025 -17.854 16.078 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.712 -17.956 18.492 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.110 -18.532 18.907 1.00 0.00 H new ATOM 0 HG SER A 6 -14.311 -16.235 19.160 1.00 0.00 H new ATOM 59 N GLY A 7 -12.448 -17.380 16.161 1.00 0.00 N ATOM 60 CA GLY A 7 -11.047 -17.312 15.791 1.00 0.00 C ATOM 61 C GLY A 7 -10.772 -16.243 14.752 1.00 0.00 C ATOM 62 O GLY A 7 -10.048 -16.480 13.785 1.00 0.00 O ATOM 0 H GLY A 7 -12.922 -16.478 16.211 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.449 -17.112 16.680 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.729 -18.280 15.404 1.00 0.00 H new ATOM 66 N ARG A 8 -11.353 -15.065 14.951 1.00 0.00 N ATOM 67 CA ARG A 8 -11.169 -13.956 14.021 1.00 0.00 C ATOM 68 C ARG A 8 -10.006 -13.070 14.456 1.00 0.00 C ATOM 69 O ARG A 8 -10.146 -12.242 15.356 1.00 0.00 O ATOM 70 CB ARG A 8 -12.450 -13.125 13.926 1.00 0.00 C ATOM 71 CG ARG A 8 -13.623 -13.880 13.323 1.00 0.00 C ATOM 72 CD ARG A 8 -13.672 -13.718 11.812 1.00 0.00 C ATOM 73 NE ARG A 8 -13.914 -12.332 11.418 1.00 0.00 N ATOM 74 CZ ARG A 8 -13.712 -11.872 10.188 1.00 0.00 C ATOM 75 NH1 ARG A 8 -13.268 -12.683 9.238 1.00 0.00 N ATOM 76 NH2 ARG A 8 -13.956 -10.598 9.907 1.00 0.00 N ATOM 0 H ARG A 8 -11.955 -14.853 15.747 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.940 -14.371 13.040 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.724 -12.781 14.923 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.253 -12.237 13.325 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.544 -14.938 13.574 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.554 -13.517 13.759 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.731 -14.059 11.380 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.458 -14.353 11.404 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.257 -11.682 12.126 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.081 -13.663 9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.114 -12.327 8.295 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.299 -9.972 10.635 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.801 -10.245 8.963 1.00 0.00 H new ATOM 90 N ARG A 9 -8.858 -13.250 13.810 1.00 0.00 N ATOM 91 CA ARG A 9 -7.670 -12.468 14.130 1.00 0.00 C ATOM 92 C ARG A 9 -7.044 -11.887 12.865 1.00 0.00 C ATOM 93 O ARG A 9 -5.872 -11.514 12.857 1.00 0.00 O ATOM 94 CB ARG A 9 -6.647 -13.334 14.867 1.00 0.00 C ATOM 95 CG ARG A 9 -5.990 -14.383 13.985 1.00 0.00 C ATOM 96 CD ARG A 9 -6.792 -15.675 13.964 1.00 0.00 C ATOM 97 NE ARG A 9 -6.228 -16.654 13.038 1.00 0.00 N ATOM 98 CZ ARG A 9 -6.576 -17.936 13.022 1.00 0.00 C ATOM 99 NH1 ARG A 9 -7.482 -18.391 13.877 1.00 0.00 N ATOM 100 NH2 ARG A 9 -6.018 -18.765 12.150 1.00 0.00 N ATOM 0 H ARG A 9 -8.726 -13.931 13.062 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.971 -11.644 14.777 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.875 -12.690 15.288 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.139 -13.831 15.703 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.893 -13.997 12.970 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.982 -14.585 14.347 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.821 -16.100 14.967 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.822 -15.458 13.680 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.529 -16.336 12.367 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.913 -17.756 14.549 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.748 -19.376 13.863 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.321 -18.418 11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.286 -19.749 12.139 1.00 0.00 H new ATOM 114 N GLU A 10 -7.835 -11.815 11.799 1.00 0.00 N ATOM 115 CA GLU A 10 -7.357 -11.281 10.529 1.00 0.00 C ATOM 116 C GLU A 10 -7.746 -9.814 10.375 1.00 0.00 C ATOM 117 O GLU A 10 -8.893 -9.494 10.066 1.00 0.00 O ATOM 118 CB GLU A 10 -7.922 -12.095 9.363 1.00 0.00 C ATOM 119 CG GLU A 10 -7.101 -13.329 9.028 1.00 0.00 C ATOM 120 CD GLU A 10 -5.622 -13.026 8.891 1.00 0.00 C ATOM 121 OE1 GLU A 10 -5.231 -12.427 7.868 1.00 0.00 O ATOM 122 OE2 GLU A 10 -4.856 -13.388 9.808 1.00 0.00 O ATOM 0 H GLU A 10 -8.808 -12.119 11.790 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.269 -11.354 10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.940 -12.401 9.604 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.981 -11.458 8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.244 -14.078 9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.467 -13.763 8.097 1.00 0.00 H new ATOM 129 N ASN A 11 -6.781 -8.926 10.594 1.00 0.00 N ATOM 130 CA ASN A 11 -7.022 -7.492 10.480 1.00 0.00 C ATOM 131 C ASN A 11 -6.744 -7.004 9.062 1.00 0.00 C ATOM 132 O ASN A 11 -5.816 -7.473 8.403 1.00 0.00 O ATOM 133 CB ASN A 11 -6.147 -6.727 11.475 1.00 0.00 C ATOM 134 CG ASN A 11 -6.084 -7.405 12.830 1.00 0.00 C ATOM 135 OD1 ASN A 11 -5.279 -8.311 13.047 1.00 0.00 O ATOM 136 ND2 ASN A 11 -6.936 -6.968 13.751 1.00 0.00 N ATOM 0 H ASN A 11 -5.826 -9.174 10.851 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.071 -7.306 10.710 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.139 -6.634 11.071 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.537 -5.716 11.595 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.940 -7.386 14.681 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.586 -6.214 13.528 1.00 0.00 H new ATOM 143 N HIS A 12 -7.556 -6.059 8.598 1.00 0.00 N ATOM 144 CA HIS A 12 -7.397 -5.506 7.257 1.00 0.00 C ATOM 145 C HIS A 12 -6.921 -4.058 7.320 1.00 0.00 C ATOM 146 O HIS A 12 -7.571 -3.208 7.929 1.00 0.00 O ATOM 147 CB HIS A 12 -8.716 -5.589 6.489 1.00 0.00 C ATOM 148 CG HIS A 12 -9.916 -5.255 7.321 1.00 0.00 C ATOM 149 ND1 HIS A 12 -10.651 -6.206 7.997 1.00 0.00 N ATOM 150 CD2 HIS A 12 -10.507 -4.067 7.586 1.00 0.00 C ATOM 151 CE1 HIS A 12 -11.643 -5.617 8.640 1.00 0.00 C ATOM 152 NE2 HIS A 12 -11.578 -4.319 8.407 1.00 0.00 N ATOM 0 H HIS A 12 -8.330 -5.661 9.130 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.644 -6.095 6.734 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.674 -4.910 5.637 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.831 -6.596 6.088 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.194 -3.100 7.220 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.382 -6.113 9.252 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -12.219 -3.617 8.777 1.00 0.00 H new ATOM 161 N GLN A 13 -5.785 -3.785 6.687 1.00 0.00 N ATOM 162 CA GLN A 13 -5.222 -2.440 6.673 1.00 0.00 C ATOM 163 C GLN A 13 -5.515 -1.741 5.349 1.00 0.00 C ATOM 164 O GLN A 13 -5.274 -2.295 4.276 1.00 0.00 O ATOM 165 CB GLN A 13 -3.713 -2.493 6.912 1.00 0.00 C ATOM 166 CG GLN A 13 -2.978 -1.247 6.445 1.00 0.00 C ATOM 167 CD GLN A 13 -3.423 0.003 7.179 1.00 0.00 C ATOM 168 OE1 GLN A 13 -4.232 0.780 6.672 1.00 0.00 O ATOM 169 NE2 GLN A 13 -2.897 0.203 8.382 1.00 0.00 N ATOM 0 H GLN A 13 -5.236 -4.477 6.177 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.690 -1.870 7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.527 -2.637 7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.302 -3.361 6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.907 -1.386 6.589 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.141 -1.113 5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.230 -0.467 8.765 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.160 1.026 8.923 1.00 0.00 H new ATOM 178 N THR A 14 -6.036 -0.521 5.432 1.00 0.00 N ATOM 179 CA THR A 14 -6.364 0.252 4.241 1.00 0.00 C ATOM 180 C THR A 14 -5.148 1.019 3.732 1.00 0.00 C ATOM 181 O THR A 14 -4.497 1.740 4.488 1.00 0.00 O ATOM 182 CB THR A 14 -7.507 1.248 4.514 1.00 0.00 C ATOM 183 OG1 THR A 14 -7.666 2.130 3.397 1.00 0.00 O ATOM 184 CG2 THR A 14 -7.229 2.059 5.771 1.00 0.00 C ATOM 0 H THR A 14 -6.240 -0.047 6.312 1.00 0.00 H new ATOM 0 HA THR A 14 -6.686 -0.460 3.481 1.00 0.00 H new ATOM 0 HB THR A 14 -8.426 0.681 4.662 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.395 2.759 3.578 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.050 2.755 5.944 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.138 1.387 6.625 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.300 2.616 5.647 1.00 0.00 H new ATOM 192 N ILE A 15 -4.849 0.859 2.448 1.00 0.00 N ATOM 193 CA ILE A 15 -3.712 1.538 1.838 1.00 0.00 C ATOM 194 C ILE A 15 -3.556 2.952 2.389 1.00 0.00 C ATOM 195 O ILE A 15 -2.521 3.296 2.958 1.00 0.00 O ATOM 196 CB ILE A 15 -3.853 1.609 0.306 1.00 0.00 C ATOM 197 CG1 ILE A 15 -3.233 0.370 -0.343 1.00 0.00 C ATOM 198 CG2 ILE A 15 -3.202 2.875 -0.228 1.00 0.00 C ATOM 199 CD1 ILE A 15 -4.089 -0.871 -0.216 1.00 0.00 C ATOM 0 H ILE A 15 -5.378 0.265 1.809 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.826 0.954 2.086 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.913 1.636 0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.056 0.573 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.261 0.179 0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.310 2.910 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.685 3.747 0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.143 2.877 0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.587 -1.710 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.245 -1.099 0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.052 -0.699 -0.696 1.00 0.00 H new ATOM 211 N GLN A 16 -4.593 3.765 2.217 1.00 0.00 N ATOM 212 CA GLN A 16 -4.572 5.141 2.698 1.00 0.00 C ATOM 213 C GLN A 16 -3.777 5.252 3.995 1.00 0.00 C ATOM 214 O GLN A 16 -2.761 5.945 4.054 1.00 0.00 O ATOM 215 CB GLN A 16 -5.998 5.651 2.915 1.00 0.00 C ATOM 216 CG GLN A 16 -6.625 6.253 1.668 1.00 0.00 C ATOM 217 CD GLN A 16 -8.127 6.056 1.617 1.00 0.00 C ATOM 218 OE1 GLN A 16 -8.888 6.848 2.175 1.00 0.00 O ATOM 219 NE2 GLN A 16 -8.562 4.997 0.945 1.00 0.00 N ATOM 0 H GLN A 16 -5.458 3.495 1.748 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.086 5.756 1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.621 4.827 3.263 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.990 6.401 3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.401 7.319 1.632 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.173 5.802 0.785 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.895 4.367 0.498 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.563 4.813 0.875 1.00 0.00 H new ATOM 228 N GLU A 17 -4.246 4.565 5.032 1.00 0.00 N ATOM 229 CA GLU A 17 -3.579 4.589 6.328 1.00 0.00 C ATOM 230 C GLU A 17 -2.195 3.952 6.239 1.00 0.00 C ATOM 231 O GLU A 17 -1.219 4.485 6.768 1.00 0.00 O ATOM 232 CB GLU A 17 -4.422 3.857 7.374 1.00 0.00 C ATOM 233 CG GLU A 17 -5.670 4.618 7.791 1.00 0.00 C ATOM 234 CD GLU A 17 -5.360 5.795 8.696 1.00 0.00 C ATOM 235 OE1 GLU A 17 -4.503 6.622 8.321 1.00 0.00 O ATOM 236 OE2 GLU A 17 -5.975 5.888 9.779 1.00 0.00 O ATOM 0 H GLU A 17 -5.085 3.985 5.000 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.463 5.630 6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.715 2.885 6.977 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.809 3.670 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.188 4.975 6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.351 3.939 8.304 1.00 0.00 H new ATOM 243 N PHE A 18 -2.118 2.808 5.567 1.00 0.00 N ATOM 244 CA PHE A 18 -0.855 2.097 5.409 1.00 0.00 C ATOM 245 C PHE A 18 0.216 3.014 4.827 1.00 0.00 C ATOM 246 O PHE A 18 1.409 2.832 5.076 1.00 0.00 O ATOM 247 CB PHE A 18 -1.042 0.875 4.507 1.00 0.00 C ATOM 248 CG PHE A 18 0.187 0.516 3.722 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.277 -0.069 4.345 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.251 0.764 2.360 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.409 -0.401 3.625 1.00 0.00 C ATOM 252 CE2 PHE A 18 1.381 0.434 1.635 1.00 0.00 C ATOM 253 CZ PHE A 18 2.461 -0.148 2.268 1.00 0.00 C ATOM 0 H PHE A 18 -2.916 2.353 5.123 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.528 1.765 6.394 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.334 0.022 5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.862 1.066 3.815 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.242 -0.268 5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.591 1.220 1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.252 -0.858 4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.419 0.631 0.574 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.345 -0.405 1.703 1.00 0.00 H new ATOM 263 N LEU A 19 -0.217 4.000 4.049 1.00 0.00 N ATOM 264 CA LEU A 19 0.704 4.947 3.429 1.00 0.00 C ATOM 265 C LEU A 19 1.040 6.086 4.386 1.00 0.00 C ATOM 266 O LEU A 19 2.203 6.460 4.535 1.00 0.00 O ATOM 267 CB LEU A 19 0.098 5.509 2.142 1.00 0.00 C ATOM 268 CG LEU A 19 -0.215 4.490 1.046 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.061 5.124 -0.048 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.070 3.919 0.465 1.00 0.00 C ATOM 0 H LEU A 19 -1.200 4.165 3.832 1.00 0.00 H new ATOM 0 HA LEU A 19 1.625 4.416 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.823 6.033 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.785 6.251 1.735 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.784 3.673 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.273 4.383 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.998 5.483 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.519 5.961 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.827 3.196 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.666 4.725 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.638 3.426 1.254 1.00 0.00 H new ATOM 282 N GLU A 20 0.015 6.630 5.034 1.00 0.00 N ATOM 283 CA GLU A 20 0.203 7.725 5.978 1.00 0.00 C ATOM 284 C GLU A 20 1.404 7.464 6.882 1.00 0.00 C ATOM 285 O GLU A 20 2.125 8.389 7.257 1.00 0.00 O ATOM 286 CB GLU A 20 -1.056 7.918 6.826 1.00 0.00 C ATOM 287 CG GLU A 20 -2.222 8.516 6.058 1.00 0.00 C ATOM 288 CD GLU A 20 -2.183 10.031 6.023 1.00 0.00 C ATOM 289 OE1 GLU A 20 -1.606 10.632 6.953 1.00 0.00 O ATOM 290 OE2 GLU A 20 -2.731 10.616 5.065 1.00 0.00 O ATOM 0 H GLU A 20 -0.954 6.330 4.923 1.00 0.00 H new ATOM 0 HA GLU A 20 0.391 8.635 5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.358 6.955 7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.819 8.564 7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.215 8.133 5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.157 8.191 6.514 1.00 0.00 H new ATOM 297 N ARG A 21 1.612 6.198 7.228 1.00 0.00 N ATOM 298 CA ARG A 21 2.724 5.814 8.089 1.00 0.00 C ATOM 299 C ARG A 21 4.060 6.043 7.387 1.00 0.00 C ATOM 300 O ARG A 21 4.991 6.599 7.970 1.00 0.00 O ATOM 301 CB ARG A 21 2.597 4.346 8.499 1.00 0.00 C ATOM 302 CG ARG A 21 3.291 3.385 7.547 1.00 0.00 C ATOM 303 CD ARG A 21 3.095 1.939 7.974 1.00 0.00 C ATOM 304 NE ARG A 21 4.004 1.558 9.052 1.00 0.00 N ATOM 305 CZ ARG A 21 3.909 0.416 9.723 1.00 0.00 C ATOM 306 NH1 ARG A 21 2.952 -0.453 9.429 1.00 0.00 N ATOM 307 NH2 ARG A 21 4.774 0.140 10.691 1.00 0.00 N ATOM 0 H ARG A 21 1.025 5.421 6.925 1.00 0.00 H new ATOM 0 HA ARG A 21 2.690 6.438 8.982 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.014 4.219 9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.541 4.085 8.559 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.900 3.524 6.539 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.356 3.613 7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.065 1.794 8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.254 1.284 7.118 1.00 0.00 H new ATOM 0 HE ARG A 21 4.752 2.204 9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.286 -0.245 8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.882 -1.329 9.947 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.512 0.805 10.920 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.700 -0.737 11.206 1.00 0.00 H new ATOM 321 N ILE A 22 4.145 5.611 6.133 1.00 0.00 N ATOM 322 CA ILE A 22 5.366 5.770 5.352 1.00 0.00 C ATOM 323 C ILE A 22 5.385 7.112 4.629 1.00 0.00 C ATOM 324 O ILE A 22 6.331 7.427 3.907 1.00 0.00 O ATOM 325 CB ILE A 22 5.523 4.639 4.318 1.00 0.00 C ATOM 326 CG1 ILE A 22 4.219 4.443 3.543 1.00 0.00 C ATOM 327 CG2 ILE A 22 5.937 3.347 5.005 1.00 0.00 C ATOM 328 CD1 ILE A 22 4.365 3.546 2.333 1.00 0.00 C ATOM 0 H ILE A 22 3.383 5.149 5.636 1.00 0.00 H new ATOM 0 HA ILE A 22 6.199 5.727 6.054 1.00 0.00 H new ATOM 0 HB ILE A 22 6.305 4.918 3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.469 4.020 4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.847 5.416 3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.044 2.557 4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.888 3.495 5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.176 3.061 5.731 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.402 3.452 1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.091 3.979 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.707 2.561 2.650 1.00 0.00 H new ATOM 340 N HIS A 23 4.334 7.901 4.829 1.00 0.00 N ATOM 341 CA HIS A 23 4.231 9.212 4.197 1.00 0.00 C ATOM 342 C HIS A 23 4.162 9.079 2.679 1.00 0.00 C ATOM 343 O HIS A 23 4.717 9.900 1.948 1.00 0.00 O ATOM 344 CB HIS A 23 5.422 10.086 4.591 1.00 0.00 C ATOM 345 CG HIS A 23 5.189 10.892 5.832 1.00 0.00 C ATOM 346 ND1 HIS A 23 5.177 12.271 5.842 1.00 0.00 N ATOM 347 CD2 HIS A 23 4.958 10.505 7.108 1.00 0.00 C ATOM 348 CE1 HIS A 23 4.949 12.697 7.072 1.00 0.00 C ATOM 349 NE2 HIS A 23 4.813 11.646 7.859 1.00 0.00 N ATOM 0 H HIS A 23 3.542 7.656 5.423 1.00 0.00 H new ATOM 0 HA HIS A 23 3.312 9.685 4.545 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.295 9.451 4.739 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.655 10.761 3.768 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.899 9.489 7.469 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.885 13.730 7.381 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.630 11.676 8.862 1.00 0.00 H new ATOM 358 N LEU A 24 3.477 8.041 2.211 1.00 0.00 N ATOM 359 CA LEU A 24 3.336 7.800 0.780 1.00 0.00 C ATOM 360 C LEU A 24 1.884 7.962 0.341 1.00 0.00 C ATOM 361 O LEU A 24 1.482 7.453 -0.705 1.00 0.00 O ATOM 362 CB LEU A 24 3.834 6.398 0.427 1.00 0.00 C ATOM 363 CG LEU A 24 5.331 6.269 0.141 1.00 0.00 C ATOM 364 CD1 LEU A 24 5.794 7.379 -0.788 1.00 0.00 C ATOM 365 CD2 LEU A 24 6.125 6.291 1.439 1.00 0.00 C ATOM 0 H LEU A 24 3.011 7.353 2.802 1.00 0.00 H new ATOM 0 HA LEU A 24 3.941 8.537 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.582 5.727 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.286 6.049 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 24 5.507 5.313 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.861 7.271 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.248 7.317 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.605 8.346 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.188 6.198 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.944 7.231 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.812 5.460 2.071 1.00 0.00 H new ATOM 377 N GLN A 25 1.104 8.676 1.146 1.00 0.00 N ATOM 378 CA GLN A 25 -0.303 8.906 0.840 1.00 0.00 C ATOM 379 C GLN A 25 -0.457 9.659 -0.478 1.00 0.00 C ATOM 380 O GLN A 25 -1.551 9.735 -1.035 1.00 0.00 O ATOM 381 CB GLN A 25 -0.971 9.691 1.970 1.00 0.00 C ATOM 382 CG GLN A 25 -0.234 10.968 2.342 1.00 0.00 C ATOM 383 CD GLN A 25 0.800 10.749 3.428 1.00 0.00 C ATOM 384 OE1 GLN A 25 1.251 9.626 3.655 1.00 0.00 O ATOM 385 NE2 GLN A 25 1.183 11.824 4.107 1.00 0.00 N ATOM 0 H GLN A 25 1.422 9.105 2.015 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.791 7.936 0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.990 9.942 1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.043 9.053 2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.255 11.372 1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.954 11.715 2.677 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.783 12.736 3.886 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.877 11.738 4.850 1.00 0.00 H new ATOM 394 N GLU A 26 0.647 10.213 -0.970 1.00 0.00 N ATOM 395 CA GLU A 26 0.633 10.961 -2.222 1.00 0.00 C ATOM 396 C GLU A 26 0.350 10.037 -3.403 1.00 0.00 C ATOM 397 O GLU A 26 -0.008 10.494 -4.490 1.00 0.00 O ATOM 398 CB GLU A 26 1.969 11.677 -2.429 1.00 0.00 C ATOM 399 CG GLU A 26 3.124 10.736 -2.729 1.00 0.00 C ATOM 400 CD GLU A 26 4.423 11.473 -2.991 1.00 0.00 C ATOM 401 OE1 GLU A 26 4.874 12.216 -2.094 1.00 0.00 O ATOM 402 OE2 GLU A 26 4.989 11.306 -4.092 1.00 0.00 O ATOM 0 H GLU A 26 1.561 10.158 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.163 11.703 -2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.868 12.387 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.205 12.254 -1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.260 10.054 -1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.875 10.126 -3.597 1.00 0.00 H new ATOM 409 N TYR A 27 0.514 8.738 -3.184 1.00 0.00 N ATOM 410 CA TYR A 27 0.279 7.750 -4.230 1.00 0.00 C ATOM 411 C TYR A 27 -1.064 7.054 -4.031 1.00 0.00 C ATOM 412 O TYR A 27 -1.507 6.278 -4.878 1.00 0.00 O ATOM 413 CB TYR A 27 1.405 6.715 -4.246 1.00 0.00 C ATOM 414 CG TYR A 27 2.757 7.297 -4.594 1.00 0.00 C ATOM 415 CD1 TYR A 27 3.019 7.784 -5.868 1.00 0.00 C ATOM 416 CD2 TYR A 27 3.772 7.360 -3.647 1.00 0.00 C ATOM 417 CE1 TYR A 27 4.252 8.315 -6.190 1.00 0.00 C ATOM 418 CE2 TYR A 27 5.009 7.891 -3.960 1.00 0.00 C ATOM 419 CZ TYR A 27 5.244 8.367 -5.233 1.00 0.00 C ATOM 420 OH TYR A 27 6.474 8.896 -5.550 1.00 0.00 O ATOM 0 H TYR A 27 0.809 8.344 -2.291 1.00 0.00 H new ATOM 0 HA TYR A 27 0.259 8.270 -5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.464 6.240 -3.267 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.159 5.934 -4.965 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.245 7.747 -6.620 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.591 6.988 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.439 8.688 -7.186 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.787 7.933 -3.212 1.00 0.00 H new ATOM 0 HH TYR A 27 6.873 9.299 -4.751 1.00 0.00 H new ATOM 430 N THR A 28 -1.709 7.337 -2.903 1.00 0.00 N ATOM 431 CA THR A 28 -3.000 6.739 -2.590 1.00 0.00 C ATOM 432 C THR A 28 -3.864 6.611 -3.840 1.00 0.00 C ATOM 433 O THR A 28 -4.054 5.514 -4.365 1.00 0.00 O ATOM 434 CB THR A 28 -3.761 7.566 -1.537 1.00 0.00 C ATOM 435 OG1 THR A 28 -2.946 7.747 -0.374 1.00 0.00 O ATOM 436 CG2 THR A 28 -5.063 6.880 -1.148 1.00 0.00 C ATOM 0 H THR A 28 -1.357 7.977 -2.191 1.00 0.00 H new ATOM 0 HA THR A 28 -2.799 5.746 -2.187 1.00 0.00 H new ATOM 0 HB THR A 28 -3.996 8.538 -1.971 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.639 8.677 -0.331 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.583 7.482 -0.403 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.694 6.769 -2.030 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.846 5.896 -0.732 1.00 0.00 H new ATOM 444 N SER A 29 -4.384 7.739 -4.312 1.00 0.00 N ATOM 445 CA SER A 29 -5.231 7.752 -5.500 1.00 0.00 C ATOM 446 C SER A 29 -4.657 6.848 -6.586 1.00 0.00 C ATOM 447 O SER A 29 -5.368 6.026 -7.166 1.00 0.00 O ATOM 448 CB SER A 29 -5.376 9.179 -6.033 1.00 0.00 C ATOM 449 OG SER A 29 -4.126 9.845 -6.054 1.00 0.00 O ATOM 0 H SER A 29 -4.234 8.656 -3.891 1.00 0.00 H new ATOM 0 HA SER A 29 -6.214 7.375 -5.219 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.795 9.154 -7.039 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.077 9.734 -5.409 1.00 0.00 H new ATOM 0 HG SER A 29 -4.245 10.754 -6.400 1.00 0.00 H new ATOM 455 N THR A 30 -3.365 7.005 -6.857 1.00 0.00 N ATOM 456 CA THR A 30 -2.694 6.204 -7.873 1.00 0.00 C ATOM 457 C THR A 30 -2.861 4.714 -7.598 1.00 0.00 C ATOM 458 O THR A 30 -3.041 3.918 -8.521 1.00 0.00 O ATOM 459 CB THR A 30 -1.192 6.536 -7.949 1.00 0.00 C ATOM 460 OG1 THR A 30 -1.011 7.895 -8.361 1.00 0.00 O ATOM 461 CG2 THR A 30 -0.481 5.606 -8.921 1.00 0.00 C ATOM 0 H THR A 30 -2.762 7.680 -6.387 1.00 0.00 H new ATOM 0 HA THR A 30 -3.161 6.449 -8.827 1.00 0.00 H new ATOM 0 HB THR A 30 -0.761 6.398 -6.958 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.053 8.099 -8.405 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.578 5.859 -8.958 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.596 4.575 -8.588 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.916 5.717 -9.914 1.00 0.00 H new ATOM 469 N LEU A 31 -2.800 4.342 -6.324 1.00 0.00 N ATOM 470 CA LEU A 31 -2.946 2.946 -5.927 1.00 0.00 C ATOM 471 C LEU A 31 -4.404 2.506 -6.007 1.00 0.00 C ATOM 472 O LEU A 31 -4.727 1.501 -6.642 1.00 0.00 O ATOM 473 CB LEU A 31 -2.416 2.742 -4.506 1.00 0.00 C ATOM 474 CG LEU A 31 -0.912 2.938 -4.316 1.00 0.00 C ATOM 475 CD1 LEU A 31 -0.612 3.433 -2.910 1.00 0.00 C ATOM 476 CD2 LEU A 31 -0.165 1.643 -4.598 1.00 0.00 C ATOM 0 H LEU A 31 -2.650 4.987 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.364 2.335 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.939 3.431 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.674 1.733 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.571 3.692 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.463 3.567 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.116 4.385 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.968 2.703 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.904 1.802 -4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.510 0.868 -3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.354 1.330 -5.625 1.00 0.00 H new ATOM 488 N LEU A 32 -5.282 3.265 -5.360 1.00 0.00 N ATOM 489 CA LEU A 32 -6.707 2.955 -5.359 1.00 0.00 C ATOM 490 C LEU A 32 -7.249 2.882 -6.783 1.00 0.00 C ATOM 491 O LEU A 32 -7.801 1.862 -7.197 1.00 0.00 O ATOM 492 CB LEU A 32 -7.478 4.009 -4.562 1.00 0.00 C ATOM 493 CG LEU A 32 -6.945 4.312 -3.161 1.00 0.00 C ATOM 494 CD1 LEU A 32 -7.683 5.496 -2.554 1.00 0.00 C ATOM 495 CD2 LEU A 32 -7.069 3.088 -2.266 1.00 0.00 C ATOM 0 H LEU A 32 -5.032 4.099 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.841 1.981 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.485 4.936 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.514 3.682 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.889 4.571 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.291 5.697 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.542 6.374 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.746 5.266 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.685 3.323 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.117 2.797 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.494 2.266 -2.692 1.00 0.00 H new ATOM 507 N LEU A 33 -7.087 3.969 -7.529 1.00 0.00 N ATOM 508 CA LEU A 33 -7.558 4.028 -8.908 1.00 0.00 C ATOM 509 C LEU A 33 -7.131 2.786 -9.683 1.00 0.00 C ATOM 510 O LEU A 33 -7.942 2.157 -10.362 1.00 0.00 O ATOM 511 CB LEU A 33 -7.021 5.283 -9.599 1.00 0.00 C ATOM 512 CG LEU A 33 -7.868 6.547 -9.447 1.00 0.00 C ATOM 513 CD1 LEU A 33 -7.092 7.768 -9.917 1.00 0.00 C ATOM 514 CD2 LEU A 33 -9.171 6.411 -10.220 1.00 0.00 C ATOM 0 H LEU A 33 -6.633 4.822 -7.202 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.647 4.068 -8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.024 5.489 -9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.911 5.069 -10.662 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.107 6.678 -8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.710 8.658 -9.802 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.186 7.875 -9.320 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.823 7.646 -10.966 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.761 7.319 -10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.953 6.256 -11.277 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.734 5.560 -9.837 1.00 0.00 H new ATOM 526 N ASN A 34 -5.854 2.436 -9.574 1.00 0.00 N ATOM 527 CA ASN A 34 -5.319 1.267 -10.263 1.00 0.00 C ATOM 528 C ASN A 34 -6.031 -0.004 -9.810 1.00 0.00 C ATOM 529 O ASN A 34 -6.228 -0.931 -10.595 1.00 0.00 O ATOM 530 CB ASN A 34 -3.816 1.142 -10.007 1.00 0.00 C ATOM 531 CG ASN A 34 -2.990 1.902 -11.027 1.00 0.00 C ATOM 532 OD1 ASN A 34 -2.312 1.305 -11.863 1.00 0.00 O ATOM 533 ND2 ASN A 34 -3.045 3.228 -10.962 1.00 0.00 N ATOM 0 H ASN A 34 -5.170 2.945 -9.015 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.489 1.396 -11.332 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.588 1.515 -9.008 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.533 0.089 -10.026 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.511 3.794 -11.622 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.621 3.680 -10.252 1.00 0.00 H new ATOM 540 N GLY A 35 -6.416 -0.039 -8.538 1.00 0.00 N ATOM 541 CA GLY A 35 -7.103 -1.200 -8.003 1.00 0.00 C ATOM 542 C GLY A 35 -6.717 -1.490 -6.566 1.00 0.00 C ATOM 543 O GLY A 35 -7.519 -2.017 -5.794 1.00 0.00 O ATOM 0 H GLY A 35 -6.264 0.716 -7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.180 -1.040 -8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.875 -2.069 -8.620 1.00 0.00 H new ATOM 547 N TYR A 36 -5.485 -1.148 -6.205 1.00 0.00 N ATOM 548 CA TYR A 36 -4.993 -1.379 -4.852 1.00 0.00 C ATOM 549 C TYR A 36 -5.852 -0.644 -3.827 1.00 0.00 C ATOM 550 O TYR A 36 -5.596 0.516 -3.505 1.00 0.00 O ATOM 551 CB TYR A 36 -3.537 -0.926 -4.733 1.00 0.00 C ATOM 552 CG TYR A 36 -2.580 -1.731 -5.582 1.00 0.00 C ATOM 553 CD1 TYR A 36 -2.008 -2.901 -5.100 1.00 0.00 C ATOM 554 CD2 TYR A 36 -2.250 -1.322 -6.869 1.00 0.00 C ATOM 555 CE1 TYR A 36 -1.133 -3.640 -5.873 1.00 0.00 C ATOM 556 CE2 TYR A 36 -1.377 -2.055 -7.649 1.00 0.00 C ATOM 557 CZ TYR A 36 -0.821 -3.213 -7.147 1.00 0.00 C ATOM 558 OH TYR A 36 0.049 -3.947 -7.920 1.00 0.00 O ATOM 0 H TYR A 36 -4.809 -0.710 -6.831 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.052 -2.448 -4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.468 0.124 -5.019 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.229 -0.994 -3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.251 -3.239 -4.104 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.684 -0.416 -7.266 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.696 -4.547 -5.482 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.131 -1.723 -8.647 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.454 -4.608 -8.440 1.00 0.00 H new ATOM 568 N GLU A 37 -6.871 -1.329 -3.318 1.00 0.00 N ATOM 569 CA GLU A 37 -7.768 -0.742 -2.330 1.00 0.00 C ATOM 570 C GLU A 37 -7.269 -1.013 -0.914 1.00 0.00 C ATOM 571 O GLU A 37 -7.267 -0.124 -0.062 1.00 0.00 O ATOM 572 CB GLU A 37 -9.183 -1.299 -2.499 1.00 0.00 C ATOM 573 CG GLU A 37 -10.037 -0.503 -3.472 1.00 0.00 C ATOM 574 CD GLU A 37 -11.507 -0.868 -3.390 1.00 0.00 C ATOM 575 OE1 GLU A 37 -11.825 -2.073 -3.463 1.00 0.00 O ATOM 576 OE2 GLU A 37 -12.339 0.053 -3.253 1.00 0.00 O ATOM 0 H GLU A 37 -7.096 -2.291 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.788 0.336 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.120 -2.331 -2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.676 -1.318 -1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.919 0.561 -3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.680 -0.674 -4.488 1.00 0.00 H new ATOM 583 N THR A 38 -6.846 -2.250 -0.668 1.00 0.00 N ATOM 584 CA THR A 38 -6.346 -2.640 0.645 1.00 0.00 C ATOM 585 C THR A 38 -5.053 -3.437 0.526 1.00 0.00 C ATOM 586 O THR A 38 -4.665 -3.852 -0.567 1.00 0.00 O ATOM 587 CB THR A 38 -7.384 -3.478 1.414 1.00 0.00 C ATOM 588 OG1 THR A 38 -7.671 -4.683 0.695 1.00 0.00 O ATOM 589 CG2 THR A 38 -8.668 -2.690 1.626 1.00 0.00 C ATOM 0 H THR A 38 -6.840 -2.998 -1.361 1.00 0.00 H new ATOM 0 HA THR A 38 -6.152 -1.720 1.196 1.00 0.00 H new ATOM 0 HB THR A 38 -6.965 -3.728 2.389 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.331 -5.211 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.385 -3.303 2.171 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.451 -1.789 2.199 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.089 -2.413 0.659 1.00 0.00 H new ATOM 597 N LEU A 39 -4.388 -3.649 1.656 1.00 0.00 N ATOM 598 CA LEU A 39 -3.136 -4.399 1.679 1.00 0.00 C ATOM 599 C LEU A 39 -3.251 -5.675 0.852 1.00 0.00 C ATOM 600 O LEU A 39 -2.336 -6.029 0.108 1.00 0.00 O ATOM 601 CB LEU A 39 -2.752 -4.743 3.119 1.00 0.00 C ATOM 602 CG LEU A 39 -2.128 -3.611 3.936 1.00 0.00 C ATOM 603 CD1 LEU A 39 -1.415 -4.166 5.159 1.00 0.00 C ATOM 604 CD2 LEU A 39 -1.168 -2.800 3.079 1.00 0.00 C ATOM 0 H LEU A 39 -4.694 -3.312 2.569 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.358 -3.774 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.645 -5.090 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.051 -5.578 3.097 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.926 -2.951 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.977 -3.346 5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.129 -4.701 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.627 -4.849 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.734 -1.999 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.374 -3.448 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.708 -2.370 2.235 1.00 0.00 H new ATOM 616 N ASP A 40 -4.381 -6.360 0.985 1.00 0.00 N ATOM 617 CA ASP A 40 -4.617 -7.596 0.247 1.00 0.00 C ATOM 618 C ASP A 40 -4.150 -7.463 -1.199 1.00 0.00 C ATOM 619 O ASP A 40 -3.684 -8.430 -1.802 1.00 0.00 O ATOM 620 CB ASP A 40 -6.102 -7.962 0.285 1.00 0.00 C ATOM 621 CG ASP A 40 -6.340 -9.441 0.053 1.00 0.00 C ATOM 622 OD1 ASP A 40 -5.840 -9.970 -0.961 1.00 0.00 O ATOM 623 OD2 ASP A 40 -7.027 -10.070 0.885 1.00 0.00 O ATOM 0 H ASP A 40 -5.148 -6.081 1.597 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.043 -8.390 0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.519 -7.677 1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.634 -7.388 -0.474 1.00 0.00 H new ATOM 628 N ASP A 41 -4.280 -6.261 -1.749 1.00 0.00 N ATOM 629 CA ASP A 41 -3.871 -6.002 -3.125 1.00 0.00 C ATOM 630 C ASP A 41 -2.360 -5.817 -3.217 1.00 0.00 C ATOM 631 O ASP A 41 -1.728 -6.257 -4.179 1.00 0.00 O ATOM 632 CB ASP A 41 -4.583 -4.760 -3.665 1.00 0.00 C ATOM 633 CG ASP A 41 -5.895 -5.095 -4.346 1.00 0.00 C ATOM 634 OD1 ASP A 41 -5.942 -6.105 -5.080 1.00 0.00 O ATOM 635 OD2 ASP A 41 -6.876 -4.349 -4.143 1.00 0.00 O ATOM 0 H ASP A 41 -4.665 -5.451 -1.264 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.151 -6.864 -3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.769 -4.066 -2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.930 -4.249 -4.372 1.00 0.00 H new ATOM 640 N LEU A 42 -1.786 -5.165 -2.212 1.00 0.00 N ATOM 641 CA LEU A 42 -0.348 -4.921 -2.180 1.00 0.00 C ATOM 642 C LEU A 42 0.421 -6.225 -1.998 1.00 0.00 C ATOM 643 O LEU A 42 1.546 -6.368 -2.478 1.00 0.00 O ATOM 644 CB LEU A 42 -0.001 -3.949 -1.051 1.00 0.00 C ATOM 645 CG LEU A 42 -0.502 -2.515 -1.221 1.00 0.00 C ATOM 646 CD1 LEU A 42 -0.334 -1.733 0.072 1.00 0.00 C ATOM 647 CD2 LEU A 42 0.231 -1.826 -2.363 1.00 0.00 C ATOM 0 H LEU A 42 -2.294 -4.796 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.058 -4.479 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.406 -4.346 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.083 -3.923 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.564 -2.548 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.696 -0.715 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.905 -2.215 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.720 -1.708 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.138 -0.806 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.300 -1.804 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.058 -2.373 -3.289 1.00 0.00 H new ATOM 659 N LYS A 43 -0.193 -7.177 -1.304 1.00 0.00 N ATOM 660 CA LYS A 43 0.431 -8.472 -1.061 1.00 0.00 C ATOM 661 C LYS A 43 0.950 -9.078 -2.361 1.00 0.00 C ATOM 662 O LYS A 43 1.856 -9.912 -2.350 1.00 0.00 O ATOM 663 CB LYS A 43 -0.568 -9.428 -0.404 1.00 0.00 C ATOM 664 CG LYS A 43 -1.410 -10.206 -1.400 1.00 0.00 C ATOM 665 CD LYS A 43 -2.668 -10.761 -0.752 1.00 0.00 C ATOM 666 CE LYS A 43 -2.351 -11.926 0.173 1.00 0.00 C ATOM 667 NZ LYS A 43 -3.483 -12.891 0.257 1.00 0.00 N ATOM 0 H LYS A 43 -1.124 -7.076 -0.899 1.00 0.00 H new ATOM 0 HA LYS A 43 1.275 -8.320 -0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.024 -10.131 0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.228 -8.858 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.684 -9.557 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.822 -11.024 -1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.166 -9.972 -0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.363 -11.088 -1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.460 -12.442 -0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.122 -11.547 1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.228 -13.670 0.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.327 -12.405 0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.685 -13.272 -0.689 1.00 0.00 H new ATOM 681 N ASP A 44 0.372 -8.653 -3.479 1.00 0.00 N ATOM 682 CA ASP A 44 0.779 -9.152 -4.788 1.00 0.00 C ATOM 683 C ASP A 44 1.435 -8.048 -5.610 1.00 0.00 C ATOM 684 O ASP A 44 1.314 -8.018 -6.836 1.00 0.00 O ATOM 685 CB ASP A 44 -0.428 -9.717 -5.539 1.00 0.00 C ATOM 686 CG ASP A 44 -0.683 -11.175 -5.212 1.00 0.00 C ATOM 687 OD1 ASP A 44 -0.038 -12.045 -5.835 1.00 0.00 O ATOM 688 OD2 ASP A 44 -1.526 -11.447 -4.333 1.00 0.00 O ATOM 0 H ASP A 44 -0.380 -7.964 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 44 1.508 -9.948 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.313 -9.132 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.267 -9.611 -6.612 1.00 0.00 H new ATOM 693 N ILE A 45 2.127 -7.141 -4.929 1.00 0.00 N ATOM 694 CA ILE A 45 2.802 -6.035 -5.597 1.00 0.00 C ATOM 695 C ILE A 45 4.298 -6.299 -5.722 1.00 0.00 C ATOM 696 O ILE A 45 4.908 -6.908 -4.843 1.00 0.00 O ATOM 697 CB ILE A 45 2.587 -4.708 -4.846 1.00 0.00 C ATOM 698 CG1 ILE A 45 2.951 -3.524 -5.744 1.00 0.00 C ATOM 699 CG2 ILE A 45 3.411 -4.683 -3.568 1.00 0.00 C ATOM 700 CD1 ILE A 45 2.167 -2.268 -5.435 1.00 0.00 C ATOM 0 H ILE A 45 2.235 -7.150 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 45 2.366 -5.954 -6.593 1.00 0.00 H new ATOM 0 HB ILE A 45 1.534 -4.626 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.015 -3.313 -5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.781 -3.802 -6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.248 -3.739 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.108 -5.508 -2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.468 -4.784 -3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.477 -1.470 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.103 -2.462 -5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.356 -1.966 -4.405 1.00 0.00 H new ATOM 712 N LYS A 46 4.886 -5.834 -6.820 1.00 0.00 N ATOM 713 CA LYS A 46 6.312 -6.016 -7.060 1.00 0.00 C ATOM 714 C LYS A 46 6.991 -4.680 -7.345 1.00 0.00 C ATOM 715 O LYS A 46 6.371 -3.762 -7.880 1.00 0.00 O ATOM 716 CB LYS A 46 6.535 -6.974 -8.232 1.00 0.00 C ATOM 717 CG LYS A 46 5.922 -8.348 -8.021 1.00 0.00 C ATOM 718 CD LYS A 46 6.832 -9.243 -7.195 1.00 0.00 C ATOM 719 CE LYS A 46 6.117 -10.513 -6.759 1.00 0.00 C ATOM 720 NZ LYS A 46 6.263 -11.604 -7.762 1.00 0.00 N ATOM 0 H LYS A 46 4.396 -5.328 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 46 6.754 -6.444 -6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.115 -6.533 -9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.606 -7.085 -8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.959 -8.245 -7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.731 -8.815 -8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.715 -9.503 -7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.179 -8.699 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.517 -10.845 -5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.059 -10.300 -6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.762 -12.452 -7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.858 -11.298 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.271 -11.825 -7.890 1.00 0.00 H new ATOM 734 N GLU A 47 8.267 -4.581 -6.986 1.00 0.00 N ATOM 735 CA GLU A 47 9.028 -3.357 -7.205 1.00 0.00 C ATOM 736 C GLU A 47 8.649 -2.711 -8.534 1.00 0.00 C ATOM 737 O GLU A 47 8.580 -1.487 -8.644 1.00 0.00 O ATOM 738 CB GLU A 47 10.530 -3.652 -7.178 1.00 0.00 C ATOM 739 CG GLU A 47 11.394 -2.404 -7.108 1.00 0.00 C ATOM 740 CD GLU A 47 12.876 -2.717 -7.176 1.00 0.00 C ATOM 741 OE1 GLU A 47 13.395 -2.886 -8.300 1.00 0.00 O ATOM 742 OE2 GLU A 47 13.517 -2.793 -6.107 1.00 0.00 O ATOM 0 H GLU A 47 8.795 -5.333 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 47 8.787 -2.661 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.752 -4.286 -6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.797 -4.219 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.129 -1.737 -7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.181 -1.871 -6.182 1.00 0.00 H new ATOM 749 N SER A 48 8.406 -3.543 -9.542 1.00 0.00 N ATOM 750 CA SER A 48 8.039 -3.054 -10.866 1.00 0.00 C ATOM 751 C SER A 48 6.705 -2.314 -10.820 1.00 0.00 C ATOM 752 O SER A 48 6.586 -1.196 -11.322 1.00 0.00 O ATOM 753 CB SER A 48 7.956 -4.216 -11.857 1.00 0.00 C ATOM 754 OG SER A 48 6.890 -5.091 -11.530 1.00 0.00 O ATOM 0 H SER A 48 8.457 -4.559 -9.467 1.00 0.00 H new ATOM 0 HA SER A 48 8.810 -2.358 -11.197 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.816 -3.828 -12.866 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.896 -4.767 -11.855 1.00 0.00 H new ATOM 0 HG SER A 48 6.858 -5.824 -12.180 1.00 0.00 H new ATOM 760 N HIS A 49 5.705 -2.946 -10.215 1.00 0.00 N ATOM 761 CA HIS A 49 4.379 -2.348 -10.103 1.00 0.00 C ATOM 762 C HIS A 49 4.477 -0.882 -9.692 1.00 0.00 C ATOM 763 O HIS A 49 3.915 -0.004 -10.348 1.00 0.00 O ATOM 764 CB HIS A 49 3.533 -3.118 -9.089 1.00 0.00 C ATOM 765 CG HIS A 49 2.825 -4.301 -9.674 1.00 0.00 C ATOM 766 ND1 HIS A 49 3.399 -5.551 -9.769 1.00 0.00 N ATOM 767 CD2 HIS A 49 1.581 -4.419 -10.195 1.00 0.00 C ATOM 768 CE1 HIS A 49 2.540 -6.386 -10.325 1.00 0.00 C ATOM 769 NE2 HIS A 49 1.429 -5.724 -10.593 1.00 0.00 N ATOM 0 H HIS A 49 5.787 -3.872 -9.795 1.00 0.00 H new ATOM 0 HA HIS A 49 3.900 -2.402 -11.080 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.174 -3.455 -8.275 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.796 -2.442 -8.655 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.845 -3.633 -10.281 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.716 -7.432 -10.526 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.594 -6.118 -11.025 1.00 0.00 H new ATOM 778 N LEU A 50 5.194 -0.624 -8.604 1.00 0.00 N ATOM 779 CA LEU A 50 5.366 0.736 -8.105 1.00 0.00 C ATOM 780 C LEU A 50 5.821 1.672 -9.221 1.00 0.00 C ATOM 781 O LEU A 50 5.252 2.747 -9.414 1.00 0.00 O ATOM 782 CB LEU A 50 6.380 0.756 -6.961 1.00 0.00 C ATOM 783 CG LEU A 50 6.067 -0.150 -5.770 1.00 0.00 C ATOM 784 CD1 LEU A 50 7.288 -0.299 -4.876 1.00 0.00 C ATOM 785 CD2 LEU A 50 4.889 0.399 -4.978 1.00 0.00 C ATOM 0 H LEU A 50 5.666 -1.339 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 50 4.403 1.085 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.354 0.473 -7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.469 1.780 -6.599 1.00 0.00 H new ATOM 0 HG LEU A 50 5.798 -1.136 -6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.045 -0.947 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.106 -0.737 -5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.589 0.681 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.680 -0.258 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.131 1.396 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.011 0.453 -5.622 1.00 0.00 H new ATOM 797 N ILE A 51 6.849 1.255 -9.953 1.00 0.00 N ATOM 798 CA ILE A 51 7.378 2.054 -11.051 1.00 0.00 C ATOM 799 C ILE A 51 6.266 2.489 -12.000 1.00 0.00 C ATOM 800 O ILE A 51 6.114 3.675 -12.290 1.00 0.00 O ATOM 801 CB ILE A 51 8.445 1.280 -11.848 1.00 0.00 C ATOM 802 CG1 ILE A 51 9.582 0.839 -10.924 1.00 0.00 C ATOM 803 CG2 ILE A 51 8.981 2.136 -12.986 1.00 0.00 C ATOM 804 CD1 ILE A 51 10.579 -0.083 -11.591 1.00 0.00 C ATOM 0 H ILE A 51 7.332 0.369 -9.805 1.00 0.00 H new ATOM 0 HA ILE A 51 7.838 2.936 -10.606 1.00 0.00 H new ATOM 0 HB ILE A 51 7.984 0.390 -12.276 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.105 1.722 -10.557 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.159 0.336 -10.055 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.734 1.575 -13.540 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.164 2.405 -13.655 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.430 3.042 -12.579 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.357 -0.355 -10.878 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.069 -0.984 -11.933 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.030 0.425 -12.444 1.00 0.00 H new ATOM 816 N GLU A 52 5.492 1.520 -12.478 1.00 0.00 N ATOM 817 CA GLU A 52 4.393 1.804 -13.394 1.00 0.00 C ATOM 818 C GLU A 52 3.339 2.681 -12.724 1.00 0.00 C ATOM 819 O GLU A 52 2.558 3.356 -13.397 1.00 0.00 O ATOM 820 CB GLU A 52 3.754 0.501 -13.879 1.00 0.00 C ATOM 821 CG GLU A 52 4.573 -0.223 -14.934 1.00 0.00 C ATOM 822 CD GLU A 52 3.772 -1.277 -15.673 1.00 0.00 C ATOM 823 OE1 GLU A 52 3.116 -0.927 -16.677 1.00 0.00 O ATOM 824 OE2 GLU A 52 3.800 -2.451 -15.248 1.00 0.00 O ATOM 0 H GLU A 52 5.605 0.533 -12.247 1.00 0.00 H new ATOM 0 HA GLU A 52 4.798 2.343 -14.251 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.609 -0.162 -13.026 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.766 0.720 -14.285 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.959 0.503 -15.650 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.435 -0.693 -14.460 1.00 0.00 H new ATOM 831 N LEU A 53 3.323 2.666 -11.396 1.00 0.00 N ATOM 832 CA LEU A 53 2.365 3.459 -10.634 1.00 0.00 C ATOM 833 C LEU A 53 2.864 4.889 -10.453 1.00 0.00 C ATOM 834 O LEU A 53 2.384 5.620 -9.587 1.00 0.00 O ATOM 835 CB LEU A 53 2.114 2.818 -9.268 1.00 0.00 C ATOM 836 CG LEU A 53 1.363 1.486 -9.279 1.00 0.00 C ATOM 837 CD1 LEU A 53 1.256 0.922 -7.871 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.019 1.658 -9.893 1.00 0.00 C ATOM 0 H LEU A 53 3.962 2.114 -10.825 1.00 0.00 H new ATOM 0 HA LEU A 53 1.429 3.488 -11.192 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.076 2.666 -8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.553 3.524 -8.656 1.00 0.00 H new ATOM 0 HG LEU A 53 1.925 0.779 -9.890 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.719 -0.026 -7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.255 0.761 -7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.717 1.626 -7.237 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.539 0.700 -9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.589 2.381 -9.309 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.080 2.017 -10.918 1.00 0.00 H new ATOM 850 N ASN A 54 3.829 5.282 -11.278 1.00 0.00 N ATOM 851 CA ASN A 54 4.392 6.626 -11.210 1.00 0.00 C ATOM 852 C ASN A 54 5.322 6.766 -10.008 1.00 0.00 C ATOM 853 O ASN A 54 5.533 7.868 -9.500 1.00 0.00 O ATOM 854 CB ASN A 54 3.274 7.667 -11.128 1.00 0.00 C ATOM 855 CG ASN A 54 2.086 7.309 -12.000 1.00 0.00 C ATOM 856 OD1 ASN A 54 1.064 6.828 -11.509 1.00 0.00 O ATOM 857 ND2 ASN A 54 2.215 7.541 -13.301 1.00 0.00 N ATOM 0 H ASN A 54 4.237 4.690 -12.001 1.00 0.00 H new ATOM 0 HA ASN A 54 4.971 6.796 -12.117 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.946 7.763 -10.093 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.663 8.639 -11.430 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.449 7.319 -13.937 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.080 7.941 -13.664 1.00 0.00 H new ATOM 864 N ILE A 55 5.874 5.644 -9.560 1.00 0.00 N ATOM 865 CA ILE A 55 6.782 5.642 -8.420 1.00 0.00 C ATOM 866 C ILE A 55 8.216 5.369 -8.859 1.00 0.00 C ATOM 867 O ILE A 55 9.008 4.799 -8.109 1.00 0.00 O ATOM 868 CB ILE A 55 6.368 4.591 -7.373 1.00 0.00 C ATOM 869 CG1 ILE A 55 4.858 4.645 -7.132 1.00 0.00 C ATOM 870 CG2 ILE A 55 7.126 4.813 -6.072 1.00 0.00 C ATOM 871 CD1 ILE A 55 4.369 3.622 -6.131 1.00 0.00 C ATOM 0 H ILE A 55 5.708 4.724 -9.969 1.00 0.00 H new ATOM 0 HA ILE A 55 6.726 6.633 -7.970 1.00 0.00 H new ATOM 0 HB ILE A 55 6.620 3.601 -7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.590 5.642 -6.781 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.341 4.490 -8.079 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.823 4.063 -5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.197 4.728 -6.256 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.902 5.807 -5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.290 3.718 -6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.606 2.620 -6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.858 3.789 -5.171 1.00 0.00 H new ATOM 883 N ALA A 56 8.544 5.781 -10.080 1.00 0.00 N ATOM 884 CA ALA A 56 9.884 5.584 -10.618 1.00 0.00 C ATOM 885 C ALA A 56 10.944 5.801 -9.544 1.00 0.00 C ATOM 886 O ALA A 56 12.044 5.253 -9.625 1.00 0.00 O ATOM 887 CB ALA A 56 10.122 6.519 -11.794 1.00 0.00 C ATOM 0 H ALA A 56 7.900 6.253 -10.714 1.00 0.00 H new ATOM 0 HA ALA A 56 9.962 4.554 -10.965 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.127 6.362 -12.186 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.391 6.314 -12.576 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.019 7.553 -11.464 1.00 0.00 H new ATOM 893 N ASP A 57 10.608 6.603 -8.540 1.00 0.00 N ATOM 894 CA ASP A 57 11.531 6.892 -7.449 1.00 0.00 C ATOM 895 C ASP A 57 11.628 5.708 -6.492 1.00 0.00 C ATOM 896 O ASP A 57 10.623 5.163 -6.035 1.00 0.00 O ATOM 897 CB ASP A 57 11.083 8.142 -6.690 1.00 0.00 C ATOM 898 CG ASP A 57 11.675 9.413 -7.268 1.00 0.00 C ATOM 899 OD1 ASP A 57 12.859 9.697 -6.987 1.00 0.00 O ATOM 900 OD2 ASP A 57 10.956 10.122 -8.001 1.00 0.00 O ATOM 0 H ASP A 57 9.702 7.065 -8.459 1.00 0.00 H new ATOM 0 HA ASP A 57 12.517 7.072 -7.878 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.995 8.208 -6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.374 8.052 -5.643 1.00 0.00 H new ATOM 905 N PRO A 58 12.867 5.299 -6.180 1.00 0.00 N ATOM 906 CA PRO A 58 13.125 4.175 -5.275 1.00 0.00 C ATOM 907 C PRO A 58 12.763 4.500 -3.830 1.00 0.00 C ATOM 908 O PRO A 58 12.150 3.689 -3.137 1.00 0.00 O ATOM 909 CB PRO A 58 14.633 3.949 -5.411 1.00 0.00 C ATOM 910 CG PRO A 58 15.177 5.269 -5.836 1.00 0.00 C ATOM 911 CD PRO A 58 14.111 5.901 -6.687 1.00 0.00 C ATOM 0 HA PRO A 58 12.525 3.301 -5.529 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.072 3.625 -4.467 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.853 3.175 -6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.408 5.893 -4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.103 5.147 -6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.104 6.986 -6.582 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.260 5.684 -7.745 1.00 0.00 H new ATOM 919 N GLU A 59 13.148 5.691 -3.382 1.00 0.00 N ATOM 920 CA GLU A 59 12.863 6.122 -2.018 1.00 0.00 C ATOM 921 C GLU A 59 11.434 5.762 -1.621 1.00 0.00 C ATOM 922 O GLU A 59 11.149 5.513 -0.450 1.00 0.00 O ATOM 923 CB GLU A 59 13.078 7.631 -1.881 1.00 0.00 C ATOM 924 CG GLU A 59 14.538 8.029 -1.752 1.00 0.00 C ATOM 925 CD GLU A 59 14.716 9.502 -1.438 1.00 0.00 C ATOM 926 OE1 GLU A 59 14.261 9.937 -0.360 1.00 0.00 O ATOM 927 OE2 GLU A 59 15.310 10.219 -2.270 1.00 0.00 O ATOM 0 H GLU A 59 13.657 6.374 -3.943 1.00 0.00 H new ATOM 0 HA GLU A 59 13.549 5.603 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.649 8.131 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.534 7.989 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.004 7.435 -0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.058 7.794 -2.681 1.00 0.00 H new ATOM 934 N ASP A 60 10.541 5.739 -2.604 1.00 0.00 N ATOM 935 CA ASP A 60 9.142 5.409 -2.358 1.00 0.00 C ATOM 936 C ASP A 60 8.901 3.912 -2.517 1.00 0.00 C ATOM 937 O ASP A 60 8.206 3.296 -1.708 1.00 0.00 O ATOM 938 CB ASP A 60 8.237 6.188 -3.314 1.00 0.00 C ATOM 939 CG ASP A 60 8.506 7.680 -3.279 1.00 0.00 C ATOM 940 OD1 ASP A 60 8.116 8.331 -2.287 1.00 0.00 O ATOM 941 OD2 ASP A 60 9.108 8.197 -4.244 1.00 0.00 O ATOM 0 H ASP A 60 10.761 5.945 -3.579 1.00 0.00 H new ATOM 0 HA ASP A 60 8.903 5.690 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.383 5.819 -4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.195 6.003 -3.054 1.00 0.00 H new ATOM 946 N ARG A 61 9.477 3.332 -3.565 1.00 0.00 N ATOM 947 CA ARG A 61 9.323 1.907 -3.831 1.00 0.00 C ATOM 948 C ARG A 61 9.783 1.078 -2.635 1.00 0.00 C ATOM 949 O ARG A 61 9.063 0.199 -2.162 1.00 0.00 O ATOM 950 CB ARG A 61 10.117 1.510 -5.076 1.00 0.00 C ATOM 951 CG ARG A 61 9.495 1.995 -6.375 1.00 0.00 C ATOM 952 CD ARG A 61 9.898 1.116 -7.549 1.00 0.00 C ATOM 953 NE ARG A 61 11.344 0.920 -7.614 1.00 0.00 N ATOM 954 CZ ARG A 61 12.195 1.854 -8.024 1.00 0.00 C ATOM 955 NH1 ARG A 61 11.747 3.043 -8.402 1.00 0.00 N ATOM 956 NH2 ARG A 61 13.497 1.599 -8.055 1.00 0.00 N ATOM 0 H ARG A 61 10.055 3.827 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 61 8.266 1.708 -4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.128 1.910 -4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.206 0.424 -5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.409 2.001 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.804 3.023 -6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.404 0.148 -7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.551 1.570 -8.478 1.00 0.00 H new ATOM 0 HE ARG A 61 11.721 0.016 -7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.747 3.242 -8.378 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.402 3.759 -8.716 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.845 0.685 -7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.150 2.317 -8.370 1.00 0.00 H new ATOM 970 N ALA A 62 10.988 1.363 -2.152 1.00 0.00 N ATOM 971 CA ALA A 62 11.544 0.645 -1.012 1.00 0.00 C ATOM 972 C ALA A 62 10.653 0.793 0.217 1.00 0.00 C ATOM 973 O ALA A 62 10.326 -0.191 0.880 1.00 0.00 O ATOM 974 CB ALA A 62 12.950 1.142 -0.710 1.00 0.00 C ATOM 0 H ALA A 62 11.598 2.086 -2.533 1.00 0.00 H new ATOM 0 HA ALA A 62 11.592 -0.413 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.353 0.597 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 62 13.588 0.979 -1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.918 2.207 -0.478 1.00 0.00 H new ATOM 980 N ARG A 63 10.264 2.028 0.515 1.00 0.00 N ATOM 981 CA ARG A 63 9.412 2.305 1.666 1.00 0.00 C ATOM 982 C ARG A 63 8.061 1.610 1.521 1.00 0.00 C ATOM 983 O ARG A 63 7.492 1.126 2.501 1.00 0.00 O ATOM 984 CB ARG A 63 9.208 3.812 1.826 1.00 0.00 C ATOM 985 CG ARG A 63 10.316 4.498 2.608 1.00 0.00 C ATOM 986 CD ARG A 63 10.121 6.005 2.646 1.00 0.00 C ATOM 987 NE ARG A 63 11.386 6.717 2.804 1.00 0.00 N ATOM 988 CZ ARG A 63 11.482 7.943 3.307 1.00 0.00 C ATOM 989 NH1 ARG A 63 10.393 8.589 3.699 1.00 0.00 N ATOM 990 NH2 ARG A 63 12.670 8.524 3.419 1.00 0.00 N ATOM 0 H ARG A 63 10.525 2.853 -0.025 1.00 0.00 H new ATOM 0 HA ARG A 63 9.908 1.917 2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.137 4.267 0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.257 3.990 2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.340 4.108 3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.280 4.266 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.634 6.331 1.727 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.454 6.264 3.469 1.00 0.00 H new ATOM 0 HE ARG A 63 12.243 6.247 2.512 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.479 8.145 3.615 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.469 9.530 4.085 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.510 8.029 3.119 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.743 9.465 3.805 1.00 0.00 H new ATOM 1004 N LEU A 64 7.554 1.564 0.295 1.00 0.00 N ATOM 1005 CA LEU A 64 6.269 0.929 0.022 1.00 0.00 C ATOM 1006 C LEU A 64 6.368 -0.586 0.173 1.00 0.00 C ATOM 1007 O LEU A 64 5.509 -1.216 0.792 1.00 0.00 O ATOM 1008 CB LEU A 64 5.793 1.282 -1.388 1.00 0.00 C ATOM 1009 CG LEU A 64 4.278 1.343 -1.589 1.00 0.00 C ATOM 1010 CD1 LEU A 64 3.939 2.096 -2.866 1.00 0.00 C ATOM 1011 CD2 LEU A 64 3.688 -0.059 -1.622 1.00 0.00 C ATOM 0 H LEU A 64 8.012 1.959 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 64 5.546 1.302 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.215 2.249 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.202 0.548 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 64 3.840 1.880 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.857 2.129 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.328 3.112 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.388 1.587 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.609 0.003 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.132 -0.621 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.900 -0.565 -0.680 1.00 0.00 H new ATOM 1023 N LEU A 65 7.420 -1.165 -0.395 1.00 0.00 N ATOM 1024 CA LEU A 65 7.633 -2.606 -0.322 1.00 0.00 C ATOM 1025 C LEU A 65 8.035 -3.026 1.088 1.00 0.00 C ATOM 1026 O LEU A 65 7.350 -3.823 1.729 1.00 0.00 O ATOM 1027 CB LEU A 65 8.709 -3.034 -1.321 1.00 0.00 C ATOM 1028 CG LEU A 65 8.484 -2.610 -2.773 1.00 0.00 C ATOM 1029 CD1 LEU A 65 9.814 -2.412 -3.483 1.00 0.00 C ATOM 1030 CD2 LEU A 65 7.636 -3.640 -3.504 1.00 0.00 C ATOM 0 H LEU A 65 8.139 -0.658 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 65 6.695 -3.100 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.665 -2.630 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.794 -4.120 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 65 7.949 -1.660 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.634 -2.111 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.387 -1.637 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.376 -3.346 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.486 -3.322 -4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.144 -4.604 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.669 -3.733 -3.009 1.00 0.00 H new ATOM 1042 N SER A 66 9.151 -2.483 1.566 1.00 0.00 N ATOM 1043 CA SER A 66 9.646 -2.803 2.900 1.00 0.00 C ATOM 1044 C SER A 66 8.558 -2.588 3.949 1.00 0.00 C ATOM 1045 O SER A 66 8.643 -3.107 5.061 1.00 0.00 O ATOM 1046 CB SER A 66 10.868 -1.945 3.232 1.00 0.00 C ATOM 1047 OG SER A 66 12.024 -2.425 2.569 1.00 0.00 O ATOM 0 H SER A 66 9.729 -1.820 1.049 1.00 0.00 H new ATOM 0 HA SER A 66 9.935 -3.854 2.912 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.681 -0.912 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.036 -1.947 4.309 1.00 0.00 H new ATOM 0 HG SER A 66 12.791 -1.858 2.796 1.00 0.00 H new ATOM 1053 N ALA A 67 7.538 -1.819 3.584 1.00 0.00 N ATOM 1054 CA ALA A 67 6.433 -1.536 4.492 1.00 0.00 C ATOM 1055 C ALA A 67 5.350 -2.605 4.388 1.00 0.00 C ATOM 1056 O ALA A 67 4.988 -3.234 5.382 1.00 0.00 O ATOM 1057 CB ALA A 67 5.850 -0.161 4.201 1.00 0.00 C ATOM 0 H ALA A 67 7.454 -1.381 2.667 1.00 0.00 H new ATOM 0 HA ALA A 67 6.820 -1.546 5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.026 0.037 4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.622 0.597 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.484 -0.131 3.175 1.00 0.00 H new ATOM 1063 N ALA A 68 4.836 -2.804 3.179 1.00 0.00 N ATOM 1064 CA ALA A 68 3.795 -3.797 2.945 1.00 0.00 C ATOM 1065 C ALA A 68 4.263 -5.189 3.356 1.00 0.00 C ATOM 1066 O ALA A 68 3.468 -6.013 3.808 1.00 0.00 O ATOM 1067 CB ALA A 68 3.376 -3.789 1.483 1.00 0.00 C ATOM 0 H ALA A 68 5.124 -2.290 2.346 1.00 0.00 H new ATOM 0 HA ALA A 68 2.933 -3.535 3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.598 -4.536 1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.992 -2.803 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.237 -4.022 0.857 1.00 0.00 H new ATOM 1073 N GLU A 69 5.558 -5.445 3.194 1.00 0.00 N ATOM 1074 CA GLU A 69 6.130 -6.739 3.546 1.00 0.00 C ATOM 1075 C GLU A 69 6.047 -6.979 5.051 1.00 0.00 C ATOM 1076 O GLU A 69 5.615 -8.041 5.499 1.00 0.00 O ATOM 1077 CB GLU A 69 7.586 -6.820 3.085 1.00 0.00 C ATOM 1078 CG GLU A 69 8.573 -6.230 4.078 1.00 0.00 C ATOM 1079 CD GLU A 69 10.008 -6.317 3.596 1.00 0.00 C ATOM 1080 OE1 GLU A 69 10.214 -6.531 2.383 1.00 0.00 O ATOM 1081 OE2 GLU A 69 10.925 -6.170 4.431 1.00 0.00 O ATOM 0 H GLU A 69 6.230 -4.774 2.822 1.00 0.00 H new ATOM 0 HA GLU A 69 5.553 -7.513 3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.844 -7.864 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.686 -6.299 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.318 -5.186 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.481 -6.753 5.030 1.00 0.00 H new ATOM 1088 N SER A 70 6.466 -5.984 5.827 1.00 0.00 N ATOM 1089 CA SER A 70 6.444 -6.087 7.281 1.00 0.00 C ATOM 1090 C SER A 70 5.037 -6.399 7.782 1.00 0.00 C ATOM 1091 O SER A 70 4.858 -7.175 8.722 1.00 0.00 O ATOM 1092 CB SER A 70 6.947 -4.787 7.913 1.00 0.00 C ATOM 1093 OG SER A 70 7.557 -5.033 9.168 1.00 0.00 O ATOM 0 H SER A 70 6.825 -5.097 5.473 1.00 0.00 H new ATOM 0 HA SER A 70 7.104 -6.904 7.573 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.663 -4.307 7.245 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.115 -4.094 8.039 1.00 0.00 H new ATOM 0 HG SER A 70 7.871 -4.187 9.550 1.00 0.00 H new ATOM 1099 N LEU A 71 4.042 -5.788 7.149 1.00 0.00 N ATOM 1100 CA LEU A 71 2.649 -6.000 7.530 1.00 0.00 C ATOM 1101 C LEU A 71 2.236 -7.450 7.299 1.00 0.00 C ATOM 1102 O LEU A 71 1.787 -8.133 8.221 1.00 0.00 O ATOM 1103 CB LEU A 71 1.735 -5.065 6.735 1.00 0.00 C ATOM 1104 CG LEU A 71 2.115 -3.584 6.749 1.00 0.00 C ATOM 1105 CD1 LEU A 71 1.430 -2.846 5.609 1.00 0.00 C ATOM 1106 CD2 LEU A 71 1.756 -2.953 8.087 1.00 0.00 C ATOM 0 H LEU A 71 4.173 -5.142 6.370 1.00 0.00 H new ATOM 0 HA LEU A 71 2.551 -5.778 8.593 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.714 -5.404 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.721 -5.163 7.124 1.00 0.00 H new ATOM 0 HG LEU A 71 3.193 -3.505 6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.712 -1.794 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.737 -3.281 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.349 -2.934 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.034 -1.899 8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.683 -3.044 8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.294 -3.463 8.886 1.00 0.00 H new ATOM 1118 N LEU A 72 2.392 -7.915 6.065 1.00 0.00 N ATOM 1119 CA LEU A 72 2.037 -9.286 5.713 1.00 0.00 C ATOM 1120 C LEU A 72 3.048 -10.274 6.285 1.00 0.00 C ATOM 1121 O LEU A 72 2.776 -11.471 6.380 1.00 0.00 O ATOM 1122 CB LEU A 72 1.961 -9.439 4.193 1.00 0.00 C ATOM 1123 CG LEU A 72 1.018 -8.479 3.468 1.00 0.00 C ATOM 1124 CD1 LEU A 72 1.408 -8.352 2.003 1.00 0.00 C ATOM 1125 CD2 LEU A 72 -0.425 -8.947 3.599 1.00 0.00 C ATOM 0 H LEU A 72 2.762 -7.363 5.291 1.00 0.00 H new ATOM 0 HA LEU A 72 1.060 -9.505 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.963 -9.310 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.653 -10.460 3.966 1.00 0.00 H new ATOM 0 HG LEU A 72 1.104 -7.497 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.726 -7.665 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.426 -7.970 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.352 -9.330 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.082 -8.251 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.527 -9.940 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.701 -8.985 4.653 1.00 0.00 H new ATOM 1137 N SER A 73 4.215 -9.764 6.667 1.00 0.00 N ATOM 1138 CA SER A 73 5.268 -10.602 7.229 1.00 0.00 C ATOM 1139 C SER A 73 4.835 -11.194 8.567 1.00 0.00 C ATOM 1140 O SER A 73 4.842 -12.411 8.751 1.00 0.00 O ATOM 1141 CB SER A 73 6.553 -9.791 7.410 1.00 0.00 C ATOM 1142 OG SER A 73 7.330 -9.796 6.225 1.00 0.00 O ATOM 0 H SER A 73 4.455 -8.775 6.598 1.00 0.00 H new ATOM 0 HA SER A 73 5.457 -11.419 6.533 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.304 -8.765 7.681 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.136 -10.206 8.233 1.00 0.00 H new ATOM 0 HG SER A 73 6.860 -9.299 5.523 1.00 0.00 H new ATOM 1148 N GLY A 74 4.458 -10.324 9.498 1.00 0.00 N ATOM 1149 CA GLY A 74 4.027 -10.778 10.807 1.00 0.00 C ATOM 1150 C GLY A 74 2.825 -10.011 11.321 1.00 0.00 C ATOM 1151 O GLY A 74 2.588 -8.862 10.946 1.00 0.00 O ATOM 0 H GLY A 74 4.443 -9.312 9.369 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.783 -11.839 10.758 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.850 -10.673 11.514 1.00 0.00 H new ATOM 1155 N PRO A 75 2.040 -10.652 12.200 1.00 0.00 N ATOM 1156 CA PRO A 75 0.842 -10.041 12.784 1.00 0.00 C ATOM 1157 C PRO A 75 1.180 -8.916 13.756 1.00 0.00 C ATOM 1158 O PRO A 75 0.291 -8.311 14.354 1.00 0.00 O ATOM 1159 CB PRO A 75 0.175 -11.204 13.522 1.00 0.00 C ATOM 1160 CG PRO A 75 1.288 -12.145 13.831 1.00 0.00 C ATOM 1161 CD PRO A 75 2.262 -12.022 12.692 1.00 0.00 C ATOM 0 HA PRO A 75 0.209 -9.580 12.026 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.320 -10.864 14.432 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -0.586 -11.680 12.904 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.762 -11.891 14.779 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.921 -13.167 13.922 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.290 -12.168 13.025 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.069 -12.764 11.917 1.00 0.00 H new ATOM 1169 N SER A 76 2.472 -8.641 13.910 1.00 0.00 N ATOM 1170 CA SER A 76 2.927 -7.591 14.813 1.00 0.00 C ATOM 1171 C SER A 76 1.984 -6.392 14.772 1.00 0.00 C ATOM 1172 O SER A 76 1.862 -5.719 13.749 1.00 0.00 O ATOM 1173 CB SER A 76 4.346 -7.151 14.444 1.00 0.00 C ATOM 1174 OG SER A 76 4.999 -6.554 15.551 1.00 0.00 O ATOM 0 H SER A 76 3.221 -9.131 13.421 1.00 0.00 H new ATOM 0 HA SER A 76 2.931 -7.994 15.826 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.919 -8.012 14.101 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.307 -6.443 13.616 1.00 0.00 H new ATOM 0 HG SER A 76 5.904 -6.283 15.290 1.00 0.00 H new ATOM 1180 N SER A 77 1.320 -6.132 15.893 1.00 0.00 N ATOM 1181 CA SER A 77 0.384 -5.017 15.986 1.00 0.00 C ATOM 1182 C SER A 77 0.736 -4.108 17.160 1.00 0.00 C ATOM 1183 O SER A 77 0.478 -4.440 18.316 1.00 0.00 O ATOM 1184 CB SER A 77 -1.047 -5.536 16.139 1.00 0.00 C ATOM 1185 OG SER A 77 -1.975 -4.466 16.186 1.00 0.00 O ATOM 0 H SER A 77 1.412 -6.678 16.750 1.00 0.00 H new ATOM 0 HA SER A 77 0.456 -4.437 15.066 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.289 -6.195 15.305 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.126 -6.131 17.049 1.00 0.00 H new ATOM 0 HG SER A 77 -2.882 -4.824 16.283 1.00 0.00 H new ATOM 1191 N GLY A 78 1.328 -2.957 16.853 1.00 0.00 N ATOM 1192 CA GLY A 78 1.707 -2.018 17.892 1.00 0.00 C ATOM 1193 C GLY A 78 2.343 -0.761 17.333 1.00 0.00 C ATOM 1194 O GLY A 78 2.053 -0.359 16.206 1.00 0.00 O ATOM 0 H GLY A 78 1.551 -2.659 15.904 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.825 -1.748 18.473 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.404 -2.501 18.577 1.00 0.00 H new TER 1198 GLY A 78