USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 531 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 16 CYS SG : rot 173:sc= -0.742 USER MOD Set 1.2: A 47 THR OG1 : rot 78:sc= 0.664 USER MOD Single : A 5 THR OG1 : rot -53:sc= 0.176 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 87:sc= 0.806 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.899 USER MOD Single : A 41 SER OG : rot 180:sc= -0.543 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.482 F(o=-1.3,f=-0.48) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0028 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 77:sc= 0.478 USER MOD Single : A 78 ASN : amide:sc= -8.71! C(o=-8.7!,f=-11!) USER MOD Single : A 80 SER OG : rot -62:sc= -0.563 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 65.002 10.952 0.830 1.00 0.00 N ATOM 35 CA LEU A 3 65.030 9.716 0.049 1.00 0.00 C ATOM 36 C LEU A 3 66.382 9.013 0.205 1.00 0.00 C ATOM 37 O LEU A 3 67.144 9.313 1.124 1.00 0.00 O ATOM 38 CB LEU A 3 64.756 10.016 -1.429 1.00 0.00 C ATOM 39 CG LEU A 3 65.877 10.745 -2.175 1.00 0.00 C ATOM 40 CD1 LEU A 3 65.735 10.494 -3.678 1.00 0.00 C ATOM 41 CD2 LEU A 3 65.776 12.246 -1.897 1.00 0.00 C ATOM 0 HA LEU A 3 64.250 9.053 0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.555 9.075 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 3 63.849 10.616 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 3 66.844 10.375 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.532 11.012 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 3 65.802 9.424 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 3 64.769 10.866 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 3 66.573 12.769 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 3 64.809 12.615 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 3 65.874 12.425 -0.826 1.00 0.00 H new ATOM 53 N LEU A 4 66.670 8.067 -0.688 1.00 0.00 N ATOM 54 CA LEU A 4 67.930 7.328 -0.608 1.00 0.00 C ATOM 55 C LEU A 4 68.642 7.315 -1.956 1.00 0.00 C ATOM 56 O LEU A 4 68.053 7.634 -2.989 1.00 0.00 O ATOM 57 CB LEU A 4 67.663 5.888 -0.168 1.00 0.00 C ATOM 58 CG LEU A 4 68.836 5.188 0.532 1.00 0.00 C ATOM 59 CD1 LEU A 4 68.317 4.355 1.707 1.00 0.00 C ATOM 60 CD2 LEU A 4 69.548 4.264 -0.460 1.00 0.00 C ATOM 0 H LEU A 4 66.062 7.797 -1.461 1.00 0.00 H new ATOM 0 HA LEU A 4 68.568 7.827 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 4 66.805 5.884 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.383 5.304 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 4 69.532 5.942 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.154 3.860 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 4 67.810 5.006 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.617 3.604 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.381 3.768 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 4 68.846 3.515 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 4 69.924 4.851 -1.298 1.00 0.00 H new ATOM 72 N THR A 5 69.917 6.934 -1.937 1.00 0.00 N ATOM 73 CA THR A 5 70.699 6.875 -3.169 1.00 0.00 C ATOM 74 C THR A 5 71.577 5.628 -3.197 1.00 0.00 C ATOM 75 O THR A 5 71.729 4.928 -2.194 1.00 0.00 O ATOM 76 CB THR A 5 71.589 8.110 -3.300 1.00 0.00 C ATOM 77 OG1 THR A 5 72.138 8.435 -2.031 1.00 0.00 O ATOM 78 CG2 THR A 5 70.757 9.281 -3.813 1.00 0.00 C ATOM 0 H THR A 5 70.425 6.665 -1.094 1.00 0.00 H new ATOM 0 HA THR A 5 69.997 6.840 -4.002 1.00 0.00 H new ATOM 0 HB THR A 5 72.398 7.905 -4.001 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.416 8.517 -1.374 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.390 10.163 -3.907 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.337 9.030 -4.787 1.00 0.00 H new ATOM 0 HG23 THR A 5 69.949 9.488 -3.112 1.00 0.00 H new ATOM 86 N LEU A 6 72.158 5.366 -4.363 1.00 0.00 N ATOM 87 CA LEU A 6 73.029 4.206 -4.530 1.00 0.00 C ATOM 88 C LEU A 6 74.255 4.339 -3.635 1.00 0.00 C ATOM 89 O LEU A 6 74.703 3.374 -3.019 1.00 0.00 O ATOM 90 CB LEU A 6 73.483 4.083 -5.984 1.00 0.00 C ATOM 91 CG LEU A 6 74.206 2.780 -6.328 1.00 0.00 C ATOM 92 CD1 LEU A 6 73.248 1.603 -6.143 1.00 0.00 C ATOM 93 CD2 LEU A 6 74.681 2.829 -7.782 1.00 0.00 C ATOM 0 H LEU A 6 72.044 5.936 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 6 72.467 3.314 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 6 72.611 4.178 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 6 74.143 4.919 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 6 75.066 2.656 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 6 73.762 0.674 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 6 72.910 1.569 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 6 72.388 1.727 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 6 75.196 1.901 -8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 6 73.822 2.953 -8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 6 75.363 3.669 -7.914 1.00 0.00 H new ATOM 105 N SER A 7 74.786 5.553 -3.573 1.00 0.00 N ATOM 106 CA SER A 7 75.962 5.821 -2.750 1.00 0.00 C ATOM 107 C SER A 7 75.667 5.527 -1.281 1.00 0.00 C ATOM 108 O SER A 7 76.551 5.128 -0.523 1.00 0.00 O ATOM 109 CB SER A 7 76.391 7.282 -2.891 1.00 0.00 C ATOM 110 OG SER A 7 77.313 7.398 -3.966 1.00 0.00 O ATOM 0 H SER A 7 74.426 6.363 -4.078 1.00 0.00 H new ATOM 0 HA SER A 7 76.767 5.171 -3.093 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.521 7.913 -3.073 1.00 0.00 H new ATOM 0 HB3 SER A 7 76.849 7.630 -1.965 1.00 0.00 H new ATOM 0 HG SER A 7 77.589 8.334 -4.061 1.00 0.00 H new ATOM 116 N ASP A 8 74.412 5.730 -0.888 1.00 0.00 N ATOM 117 CA ASP A 8 74.008 5.486 0.490 1.00 0.00 C ATOM 118 C ASP A 8 74.079 3.998 0.810 1.00 0.00 C ATOM 119 O ASP A 8 74.824 3.575 1.693 1.00 0.00 O ATOM 120 CB ASP A 8 72.577 5.973 0.721 1.00 0.00 C ATOM 121 CG ASP A 8 72.548 7.498 0.761 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.525 8.082 1.200 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.544 8.059 0.351 1.00 0.00 O ATOM 0 H ASP A 8 73.665 6.060 -1.499 1.00 0.00 H new ATOM 0 HA ASP A 8 74.690 6.033 1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 8 71.927 5.609 -0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.193 5.569 1.657 1.00 0.00 H new ATOM 128 N LEU A 9 73.292 3.206 0.083 1.00 0.00 N ATOM 129 CA LEU A 9 73.272 1.759 0.302 1.00 0.00 C ATOM 130 C LEU A 9 74.667 1.165 0.118 1.00 0.00 C ATOM 131 O LEU A 9 75.083 0.282 0.864 1.00 0.00 O ATOM 132 CB LEU A 9 72.308 1.081 -0.676 1.00 0.00 C ATOM 133 CG LEU A 9 72.259 -0.449 -0.588 1.00 0.00 C ATOM 134 CD1 LEU A 9 71.804 -0.867 0.813 1.00 0.00 C ATOM 135 CD2 LEU A 9 71.273 -0.991 -1.624 1.00 0.00 C ATOM 0 H LEU A 9 72.667 3.535 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 9 72.937 1.582 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 9 71.305 1.471 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.588 1.362 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 9 73.252 -0.853 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 9 71.769 -1.955 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 9 72.506 -0.484 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 9 70.812 -0.461 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 9 71.239 -2.079 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.280 -0.585 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 9 71.596 -0.696 -2.623 1.00 0.00 H new ATOM 147 N LEU A 10 75.380 1.663 -0.890 1.00 0.00 N ATOM 148 CA LEU A 10 76.733 1.183 -1.189 1.00 0.00 C ATOM 149 C LEU A 10 77.623 1.209 0.057 1.00 0.00 C ATOM 150 O LEU A 10 78.134 0.178 0.494 1.00 0.00 O ATOM 151 CB LEU A 10 77.357 2.055 -2.292 1.00 0.00 C ATOM 152 CG LEU A 10 77.374 1.436 -3.700 1.00 0.00 C ATOM 153 CD1 LEU A 10 76.020 0.780 -4.012 1.00 0.00 C ATOM 154 CD2 LEU A 10 77.658 2.533 -4.739 1.00 0.00 C ATOM 0 H LEU A 10 75.047 2.398 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 10 76.660 0.150 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 10 76.812 2.998 -2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.382 2.292 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 10 78.154 0.676 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.048 0.346 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.819 -0.004 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.232 1.532 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 10 77.670 2.095 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 10 76.880 3.294 -4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 10 78.626 2.989 -4.531 1.00 0.00 H new ATOM 166 N THR A 11 77.796 2.399 0.616 1.00 0.00 N ATOM 167 CA THR A 11 78.612 2.579 1.803 1.00 0.00 C ATOM 168 C THR A 11 78.140 1.676 2.942 1.00 0.00 C ATOM 169 O THR A 11 78.926 0.957 3.553 1.00 0.00 O ATOM 170 CB THR A 11 78.519 4.039 2.241 1.00 0.00 C ATOM 171 OG1 THR A 11 78.871 4.881 1.153 1.00 0.00 O ATOM 172 CG2 THR A 11 79.465 4.284 3.397 1.00 0.00 C ATOM 0 H THR A 11 77.377 3.259 0.261 1.00 0.00 H new ATOM 0 HA THR A 11 79.642 2.312 1.566 1.00 0.00 H new ATOM 0 HB THR A 11 77.499 4.259 2.557 1.00 0.00 H new ATOM 0 HG1 THR A 11 78.076 5.064 0.610 1.00 0.00 H new ATOM 0 HG21 THR A 11 79.397 5.326 3.708 1.00 0.00 H new ATOM 0 HG22 THR A 11 79.194 3.638 4.232 1.00 0.00 H new ATOM 0 HG23 THR A 11 80.486 4.064 3.085 1.00 0.00 H new ATOM 180 N LEU A 12 76.845 1.726 3.219 1.00 0.00 N ATOM 181 CA LEU A 12 76.268 0.909 4.291 1.00 0.00 C ATOM 182 C LEU A 12 76.571 -0.565 4.067 1.00 0.00 C ATOM 183 O LEU A 12 77.060 -1.260 4.958 1.00 0.00 O ATOM 184 CB LEU A 12 74.752 1.091 4.348 1.00 0.00 C ATOM 185 CG LEU A 12 74.278 2.538 4.428 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.882 2.655 3.817 1.00 0.00 C ATOM 187 CD2 LEU A 12 74.231 2.968 5.893 1.00 0.00 C ATOM 0 H LEU A 12 76.175 2.316 2.725 1.00 0.00 H new ATOM 0 HA LEU A 12 76.714 1.236 5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 12 74.312 0.629 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.369 0.551 5.214 1.00 0.00 H new ATOM 0 HG LEU A 12 74.966 3.180 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.545 3.690 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.914 2.342 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.190 2.017 4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.893 4.002 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 12 73.540 2.325 6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 12 75.226 2.884 6.329 1.00 0.00 H new ATOM 199 N LEU A 13 76.271 -1.029 2.863 1.00 0.00 N ATOM 200 CA LEU A 13 76.512 -2.430 2.516 1.00 0.00 C ATOM 201 C LEU A 13 77.995 -2.772 2.651 1.00 0.00 C ATOM 202 O LEU A 13 78.353 -3.841 3.146 1.00 0.00 O ATOM 203 CB LEU A 13 76.038 -2.734 1.087 1.00 0.00 C ATOM 204 CG LEU A 13 74.841 -3.687 1.001 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.460 -3.910 -0.466 1.00 0.00 C ATOM 206 CD2 LEU A 13 75.208 -5.029 1.647 1.00 0.00 C ATOM 0 H LEU A 13 75.865 -0.467 2.115 1.00 0.00 H new ATOM 0 HA LEU A 13 75.941 -3.045 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 13 75.775 -1.796 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.868 -3.163 0.526 1.00 0.00 H new ATOM 0 HG LEU A 13 73.994 -3.249 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.609 -4.588 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.195 -2.956 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.305 -4.344 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 13 74.357 -5.707 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 13 76.058 -5.465 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.471 -4.870 2.693 1.00 0.00 H new ATOM 218 N ARG A 14 78.854 -1.858 2.208 1.00 0.00 N ATOM 219 CA ARG A 14 80.293 -2.094 2.295 1.00 0.00 C ATOM 220 C ARG A 14 80.715 -2.175 3.768 1.00 0.00 C ATOM 221 O ARG A 14 81.547 -2.998 4.149 1.00 0.00 O ATOM 222 CB ARG A 14 81.077 -1.002 1.510 1.00 0.00 C ATOM 223 CG ARG A 14 81.737 0.046 2.430 1.00 0.00 C ATOM 224 CD ARG A 14 82.219 1.233 1.594 1.00 0.00 C ATOM 225 NE ARG A 14 82.151 2.473 2.370 1.00 0.00 N ATOM 226 CZ ARG A 14 82.429 3.669 1.829 1.00 0.00 C ATOM 227 NH1 ARG A 14 82.776 3.782 0.569 1.00 0.00 N ATOM 228 NH2 ARG A 14 82.354 4.740 2.570 1.00 0.00 N ATOM 0 H ARG A 14 78.587 -0.965 1.793 1.00 0.00 H new ATOM 0 HA ARG A 14 80.536 -3.049 1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 14 81.846 -1.480 0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.397 -0.498 0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 14 81.025 0.384 3.183 1.00 0.00 H new ATOM 0 HG3 ARG A 14 82.576 -0.401 2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 14 83.243 1.060 1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 14 81.607 1.325 0.697 1.00 0.00 H new ATOM 0 HE ARG A 14 81.884 2.426 3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 14 82.839 2.951 -0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 14 82.983 4.701 0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 14 82.086 4.664 3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 14 82.563 5.654 2.168 1.00 0.00 H new ATOM 242 N GLU A 15 80.122 -1.307 4.586 1.00 0.00 N ATOM 243 CA GLU A 15 80.429 -1.281 6.012 1.00 0.00 C ATOM 244 C GLU A 15 80.045 -2.608 6.656 1.00 0.00 C ATOM 245 O GLU A 15 80.851 -3.246 7.333 1.00 0.00 O ATOM 246 CB GLU A 15 79.662 -0.149 6.704 1.00 0.00 C ATOM 247 CG GLU A 15 80.109 -0.033 8.166 1.00 0.00 C ATOM 248 CD GLU A 15 81.056 1.154 8.325 1.00 0.00 C ATOM 249 OE1 GLU A 15 80.695 2.235 7.889 1.00 0.00 O ATOM 250 OE2 GLU A 15 82.126 0.964 8.878 1.00 0.00 O ATOM 0 H GLU A 15 79.432 -0.618 4.287 1.00 0.00 H new ATOM 0 HA GLU A 15 81.500 -1.114 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.839 0.793 6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.590 -0.342 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 15 79.241 0.094 8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 15 80.607 -0.951 8.478 1.00 0.00 H new ATOM 257 N CYS A 16 78.800 -3.016 6.427 1.00 0.00 N ATOM 258 CA CYS A 16 78.297 -4.275 6.978 1.00 0.00 C ATOM 259 C CYS A 16 79.185 -5.444 6.560 1.00 0.00 C ATOM 260 O CYS A 16 79.657 -6.217 7.394 1.00 0.00 O ATOM 261 CB CYS A 16 76.875 -4.540 6.484 1.00 0.00 C ATOM 262 SG CYS A 16 76.089 -5.768 7.553 1.00 0.00 S ATOM 0 H CYS A 16 78.123 -2.498 5.867 1.00 0.00 H new ATOM 0 HA CYS A 16 78.302 -4.187 8.064 1.00 0.00 H new ATOM 0 HB2 CYS A 16 76.298 -3.615 6.488 1.00 0.00 H new ATOM 0 HB3 CYS A 16 76.896 -4.898 5.455 1.00 0.00 H new ATOM 0 HG CYS A 16 74.837 -5.890 7.226 1.00 0.00 H new ATOM 268 N ALA A 17 79.404 -5.558 5.257 1.00 0.00 N ATOM 269 CA ALA A 17 80.238 -6.631 4.721 1.00 0.00 C ATOM 270 C ALA A 17 81.661 -6.516 5.258 1.00 0.00 C ATOM 271 O ALA A 17 82.314 -7.519 5.548 1.00 0.00 O ATOM 272 CB ALA A 17 80.273 -6.569 3.194 1.00 0.00 C ATOM 0 H ALA A 17 79.020 -4.927 4.554 1.00 0.00 H new ATOM 0 HA ALA A 17 79.807 -7.582 5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 17 80.899 -7.375 2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 17 79.262 -6.677 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 17 80.684 -5.610 2.878 1.00 0.00 H new ATOM 417 N VAL A 29 77.379 -4.081 -10.277 1.00 0.00 N ATOM 418 CA VAL A 29 76.690 -4.992 -9.358 1.00 0.00 C ATOM 419 C VAL A 29 75.413 -4.368 -8.783 1.00 0.00 C ATOM 420 O VAL A 29 74.721 -4.995 -7.980 1.00 0.00 O ATOM 421 CB VAL A 29 77.615 -5.393 -8.207 1.00 0.00 C ATOM 422 CG1 VAL A 29 78.826 -6.142 -8.763 1.00 0.00 C ATOM 423 CG2 VAL A 29 78.088 -4.139 -7.468 1.00 0.00 C ATOM 0 HA VAL A 29 76.412 -5.874 -9.934 1.00 0.00 H new ATOM 0 HB VAL A 29 77.073 -6.039 -7.516 1.00 0.00 H new ATOM 0 HG11 VAL A 29 79.485 -6.428 -7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 29 78.491 -7.037 -9.288 1.00 0.00 H new ATOM 0 HG13 VAL A 29 79.367 -5.496 -9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 29 78.747 -4.426 -6.648 1.00 0.00 H new ATOM 0 HG22 VAL A 29 78.629 -3.492 -8.159 1.00 0.00 H new ATOM 0 HG23 VAL A 29 77.226 -3.604 -7.070 1.00 0.00 H new ATOM 433 N GLU A 30 75.093 -3.141 -9.198 1.00 0.00 N ATOM 434 CA GLU A 30 73.891 -2.479 -8.712 1.00 0.00 C ATOM 435 C GLU A 30 72.640 -3.199 -9.222 1.00 0.00 C ATOM 436 O GLU A 30 71.582 -3.162 -8.593 1.00 0.00 O ATOM 437 CB GLU A 30 73.868 -1.026 -9.190 1.00 0.00 C ATOM 438 CG GLU A 30 73.905 -0.978 -10.722 1.00 0.00 C ATOM 439 CD GLU A 30 74.737 0.216 -11.177 1.00 0.00 C ATOM 440 OE1 GLU A 30 74.295 1.334 -10.971 1.00 0.00 O ATOM 441 OE2 GLU A 30 75.804 -0.004 -11.725 1.00 0.00 O ATOM 0 H GLU A 30 75.644 -2.595 -9.861 1.00 0.00 H new ATOM 0 HA GLU A 30 73.898 -2.507 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.970 -0.528 -8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 30 74.722 -0.486 -8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 30 74.331 -1.901 -11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.892 -0.900 -11.118 1.00 0.00 H new ATOM 448 N ASP A 31 72.779 -3.854 -10.371 1.00 0.00 N ATOM 449 CA ASP A 31 71.667 -4.580 -10.966 1.00 0.00 C ATOM 450 C ASP A 31 71.904 -6.085 -10.877 1.00 0.00 C ATOM 451 O ASP A 31 71.435 -6.854 -11.715 1.00 0.00 O ATOM 452 CB ASP A 31 71.495 -4.177 -12.431 1.00 0.00 C ATOM 453 CG ASP A 31 70.744 -2.852 -12.508 1.00 0.00 C ATOM 454 OD1 ASP A 31 69.554 -2.853 -12.244 1.00 0.00 O ATOM 455 OD2 ASP A 31 71.371 -1.857 -12.831 1.00 0.00 O ATOM 0 H ASP A 31 73.647 -3.896 -10.905 1.00 0.00 H new ATOM 0 HA ASP A 31 70.761 -4.329 -10.415 1.00 0.00 H new ATOM 0 HB2 ASP A 31 72.469 -4.084 -12.911 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.947 -4.950 -12.970 1.00 0.00 H new ATOM 460 N VAL A 32 72.628 -6.494 -9.837 1.00 0.00 N ATOM 461 CA VAL A 32 72.914 -7.907 -9.622 1.00 0.00 C ATOM 462 C VAL A 32 72.352 -8.336 -8.272 1.00 0.00 C ATOM 463 O VAL A 32 72.412 -7.589 -7.296 1.00 0.00 O ATOM 464 CB VAL A 32 74.425 -8.158 -9.646 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.701 -9.657 -9.521 1.00 0.00 C ATOM 466 CG2 VAL A 32 75.003 -7.646 -10.966 1.00 0.00 C ATOM 0 H VAL A 32 73.024 -5.869 -9.135 1.00 0.00 H new ATOM 0 HA VAL A 32 72.449 -8.486 -10.420 1.00 0.00 H new ATOM 0 HB VAL A 32 74.891 -7.633 -8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 32 75.777 -9.832 -9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.289 -10.026 -8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.234 -10.184 -10.354 1.00 0.00 H new ATOM 0 HG21 VAL A 32 76.078 -7.823 -10.986 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.533 -8.172 -11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.810 -6.577 -11.057 1.00 0.00 H new ATOM 476 N ALA A 33 71.799 -9.546 -8.223 1.00 0.00 N ATOM 477 CA ALA A 33 71.225 -10.057 -6.979 1.00 0.00 C ATOM 478 C ALA A 33 72.271 -10.071 -5.870 1.00 0.00 C ATOM 479 O ALA A 33 73.460 -10.269 -6.121 1.00 0.00 O ATOM 480 CB ALA A 33 70.689 -11.476 -7.174 1.00 0.00 C ATOM 0 H ALA A 33 71.736 -10.183 -9.017 1.00 0.00 H new ATOM 0 HA ALA A 33 70.406 -9.396 -6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.266 -11.837 -6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 33 69.916 -11.471 -7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.502 -12.133 -7.482 1.00 0.00 H new ATOM 486 N PHE A 34 71.817 -9.856 -4.634 1.00 0.00 N ATOM 487 CA PHE A 34 72.726 -9.845 -3.484 1.00 0.00 C ATOM 488 C PHE A 34 73.531 -11.141 -3.422 1.00 0.00 C ATOM 489 O PHE A 34 74.744 -11.128 -3.229 1.00 0.00 O ATOM 490 CB PHE A 34 71.941 -9.689 -2.182 1.00 0.00 C ATOM 491 CG PHE A 34 71.232 -8.355 -2.172 1.00 0.00 C ATOM 492 CD1 PHE A 34 71.973 -7.167 -2.140 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.833 -8.306 -2.190 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.317 -5.932 -2.125 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.177 -7.068 -2.176 1.00 0.00 C ATOM 496 CZ PHE A 34 69.920 -5.882 -2.143 1.00 0.00 C ATOM 0 H PHE A 34 70.837 -9.689 -4.404 1.00 0.00 H new ATOM 0 HA PHE A 34 73.405 -9.001 -3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.217 -10.498 -2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.615 -9.760 -1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 34 73.052 -7.205 -2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.260 -9.221 -2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 34 71.890 -5.017 -2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.098 -7.029 -2.191 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.414 -4.928 -2.131 1.00 0.00 H new ATOM 506 N ASP A 35 72.838 -12.259 -3.595 1.00 0.00 N ATOM 507 CA ASP A 35 73.495 -13.560 -3.565 1.00 0.00 C ATOM 508 C ASP A 35 74.346 -13.774 -4.820 1.00 0.00 C ATOM 509 O ASP A 35 75.248 -14.611 -4.832 1.00 0.00 O ATOM 510 CB ASP A 35 72.457 -14.680 -3.472 1.00 0.00 C ATOM 511 CG ASP A 35 73.160 -16.005 -3.199 1.00 0.00 C ATOM 512 OD1 ASP A 35 73.342 -16.327 -2.037 1.00 0.00 O ATOM 513 OD2 ASP A 35 73.506 -16.678 -4.156 1.00 0.00 O ATOM 0 H ASP A 35 71.831 -12.293 -3.756 1.00 0.00 H new ATOM 0 HA ASP A 35 74.141 -13.583 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 35 71.744 -14.464 -2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 35 71.889 -14.742 -4.401 1.00 0.00 H new ATOM 518 N ALA A 36 74.046 -13.018 -5.880 1.00 0.00 N ATOM 519 CA ALA A 36 74.785 -13.151 -7.128 1.00 0.00 C ATOM 520 C ALA A 36 76.097 -12.371 -7.082 1.00 0.00 C ATOM 521 O ALA A 36 77.060 -12.720 -7.766 1.00 0.00 O ATOM 522 CB ALA A 36 73.946 -12.639 -8.299 1.00 0.00 C ATOM 0 H ALA A 36 73.305 -12.317 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 36 75.007 -14.209 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 36 74.511 -12.745 -9.225 1.00 0.00 H new ATOM 0 HB2 ALA A 36 73.025 -13.218 -8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 36 73.703 -11.588 -8.140 1.00 0.00 H new ATOM 528 N LEU A 37 76.130 -11.306 -6.281 1.00 0.00 N ATOM 529 CA LEU A 37 77.341 -10.494 -6.183 1.00 0.00 C ATOM 530 C LEU A 37 78.254 -10.995 -5.063 1.00 0.00 C ATOM 531 O LEU A 37 79.468 -10.795 -5.108 1.00 0.00 O ATOM 532 CB LEU A 37 76.992 -9.018 -5.952 1.00 0.00 C ATOM 533 CG LEU A 37 76.482 -8.658 -4.553 1.00 0.00 C ATOM 534 CD1 LEU A 37 77.668 -8.312 -3.645 1.00 0.00 C ATOM 535 CD2 LEU A 37 75.543 -7.451 -4.653 1.00 0.00 C ATOM 0 H LEU A 37 75.351 -10.991 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 37 77.874 -10.585 -7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 37 77.879 -8.419 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 37 76.234 -8.727 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 37 75.943 -9.507 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 37 77.302 -8.056 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 37 78.336 -9.170 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 37 78.210 -7.463 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.177 -7.191 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 37 76.084 -6.603 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 37 74.699 -7.699 -5.297 1.00 0.00 H new ATOM 547 N GLY A 38 77.672 -11.662 -4.066 1.00 0.00 N ATOM 548 CA GLY A 38 78.476 -12.191 -2.963 1.00 0.00 C ATOM 549 C GLY A 38 77.825 -11.972 -1.593 1.00 0.00 C ATOM 550 O GLY A 38 78.339 -12.449 -0.582 1.00 0.00 O ATOM 0 H GLY A 38 76.671 -11.846 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 38 78.637 -13.258 -3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.457 -11.715 -2.974 1.00 0.00 H new ATOM 554 N TYR A 39 76.699 -11.258 -1.552 1.00 0.00 N ATOM 555 CA TYR A 39 76.027 -11.012 -0.280 1.00 0.00 C ATOM 556 C TYR A 39 75.255 -12.252 0.160 1.00 0.00 C ATOM 557 O TYR A 39 74.919 -13.111 -0.654 1.00 0.00 O ATOM 558 CB TYR A 39 75.060 -9.838 -0.415 1.00 0.00 C ATOM 559 CG TYR A 39 75.827 -8.537 -0.394 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.726 -8.264 0.645 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.638 -7.603 -1.418 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.436 -7.057 0.658 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.347 -6.396 -1.405 1.00 0.00 C ATOM 564 CZ TYR A 39 77.245 -6.122 -0.367 1.00 0.00 C ATOM 565 OH TYR A 39 77.944 -4.932 -0.355 1.00 0.00 O ATOM 0 H TYR A 39 76.243 -10.849 -2.367 1.00 0.00 H new ATOM 0 HA TYR A 39 76.783 -10.775 0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.497 -9.924 -1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.335 -9.857 0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.872 -8.985 1.436 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.945 -7.813 -2.219 1.00 0.00 H new ATOM 0 HE1 TYR A 39 78.130 -6.847 1.458 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.201 -5.676 -2.196 1.00 0.00 H new ATOM 0 HH TYR A 39 77.695 -4.398 -1.138 1.00 0.00 H new ATOM 575 N ASP A 40 74.978 -12.337 1.458 1.00 0.00 N ATOM 576 CA ASP A 40 74.246 -13.480 1.995 1.00 0.00 C ATOM 577 C ASP A 40 72.810 -13.088 2.324 1.00 0.00 C ATOM 578 O ASP A 40 71.879 -13.410 1.585 1.00 0.00 O ATOM 579 CB ASP A 40 74.935 -14.016 3.255 1.00 0.00 C ATOM 580 CG ASP A 40 76.028 -15.003 2.857 1.00 0.00 C ATOM 581 OD1 ASP A 40 77.075 -14.553 2.424 1.00 0.00 O ATOM 582 OD2 ASP A 40 75.801 -16.193 2.992 1.00 0.00 O ATOM 0 H ASP A 40 75.245 -11.637 2.150 1.00 0.00 H new ATOM 0 HA ASP A 40 74.236 -14.262 1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.364 -13.193 3.826 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.206 -14.505 3.901 1.00 0.00 H new ATOM 587 N SER A 41 72.647 -12.390 3.442 1.00 0.00 N ATOM 588 CA SER A 41 71.331 -11.948 3.890 1.00 0.00 C ATOM 589 C SER A 41 71.478 -11.245 5.224 1.00 0.00 C ATOM 590 O SER A 41 70.975 -10.140 5.433 1.00 0.00 O ATOM 591 CB SER A 41 70.391 -13.139 4.079 1.00 0.00 C ATOM 592 OG SER A 41 70.829 -13.911 5.191 1.00 0.00 O ATOM 0 H SER A 41 73.413 -12.117 4.057 1.00 0.00 H new ATOM 0 HA SER A 41 70.915 -11.280 3.136 1.00 0.00 H new ATOM 0 HB2 SER A 41 69.371 -12.790 4.243 1.00 0.00 H new ATOM 0 HB3 SER A 41 70.377 -13.753 3.178 1.00 0.00 H new ATOM 0 HG SER A 41 70.228 -14.675 5.316 1.00 0.00 H new ATOM 598 N LEU A 42 72.190 -11.916 6.122 1.00 0.00 N ATOM 599 CA LEU A 42 72.435 -11.382 7.463 1.00 0.00 C ATOM 600 C LEU A 42 73.037 -9.981 7.388 1.00 0.00 C ATOM 601 O LEU A 42 72.728 -9.111 8.203 1.00 0.00 O ATOM 602 CB LEU A 42 73.391 -12.294 8.235 1.00 0.00 C ATOM 603 CG LEU A 42 72.729 -13.485 8.932 1.00 0.00 C ATOM 604 CD1 LEU A 42 73.789 -14.290 9.686 1.00 0.00 C ATOM 605 CD2 LEU A 42 71.679 -12.975 9.922 1.00 0.00 C ATOM 0 H LEU A 42 72.609 -12.830 5.949 1.00 0.00 H new ATOM 0 HA LEU A 42 71.477 -11.334 7.981 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.146 -12.670 7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.912 -11.698 8.984 1.00 0.00 H new ATOM 0 HG LEU A 42 72.251 -14.122 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 42 73.317 -15.138 10.182 1.00 0.00 H new ATOM 0 HD12 LEU A 42 74.539 -14.652 8.983 1.00 0.00 H new ATOM 0 HD13 LEU A 42 74.267 -13.654 10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.206 -13.822 10.419 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.159 -12.339 10.666 1.00 0.00 H new ATOM 0 HD23 LEU A 42 70.923 -12.401 9.387 1.00 0.00 H new ATOM 617 N ALA A 43 73.894 -9.770 6.393 1.00 0.00 N ATOM 618 CA ALA A 43 74.523 -8.467 6.216 1.00 0.00 C ATOM 619 C ALA A 43 73.485 -7.442 5.794 1.00 0.00 C ATOM 620 O ALA A 43 73.402 -6.353 6.359 1.00 0.00 O ATOM 621 CB ALA A 43 75.623 -8.536 5.154 1.00 0.00 C ATOM 0 H ALA A 43 74.165 -10.474 5.707 1.00 0.00 H new ATOM 0 HA ALA A 43 74.966 -8.172 7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 43 76.079 -7.553 5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 43 76.383 -9.254 5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 43 75.192 -8.850 4.204 1.00 0.00 H new ATOM 627 N LEU A 44 72.680 -7.808 4.803 1.00 0.00 N ATOM 628 CA LEU A 44 71.633 -6.916 4.315 1.00 0.00 C ATOM 629 C LEU A 44 70.638 -6.631 5.430 1.00 0.00 C ATOM 630 O LEU A 44 70.127 -5.521 5.563 1.00 0.00 O ATOM 631 CB LEU A 44 70.898 -7.549 3.136 1.00 0.00 C ATOM 632 CG LEU A 44 71.780 -7.885 1.935 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.912 -8.429 0.803 1.00 0.00 C ATOM 634 CD2 LEU A 44 72.496 -6.618 1.462 1.00 0.00 C ATOM 0 H LEU A 44 72.730 -8.708 4.325 1.00 0.00 H new ATOM 0 HA LEU A 44 72.097 -5.986 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 44 70.411 -8.462 3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 44 70.110 -6.870 2.811 1.00 0.00 H new ATOM 0 HG LEU A 44 72.516 -8.636 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.541 -8.669 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 44 70.398 -9.329 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 44 70.177 -7.678 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.126 -6.855 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 44 71.758 -5.869 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.114 -6.226 2.270 1.00 0.00 H new ATOM 646 N LEU A 45 70.382 -7.654 6.239 1.00 0.00 N ATOM 647 CA LEU A 45 69.455 -7.521 7.363 1.00 0.00 C ATOM 648 C LEU A 45 69.901 -6.386 8.285 1.00 0.00 C ATOM 649 O LEU A 45 69.089 -5.583 8.745 1.00 0.00 O ATOM 650 CB LEU A 45 69.395 -8.836 8.154 1.00 0.00 C ATOM 651 CG LEU A 45 68.668 -8.775 9.504 1.00 0.00 C ATOM 652 CD1 LEU A 45 67.280 -8.156 9.316 1.00 0.00 C ATOM 653 CD2 LEU A 45 68.520 -10.190 10.066 1.00 0.00 C ATOM 0 H LEU A 45 70.799 -8.580 6.141 1.00 0.00 H new ATOM 0 HA LEU A 45 68.464 -7.292 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 45 68.907 -9.588 7.534 1.00 0.00 H new ATOM 0 HB3 LEU A 45 70.415 -9.179 8.328 1.00 0.00 H new ATOM 0 HG LEU A 45 69.246 -8.163 10.197 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.767 -8.114 10.277 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.383 -7.147 8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.701 -8.765 8.622 1.00 0.00 H new ATOM 0 HD21 LEU A 45 68.004 -10.148 11.025 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.944 -10.800 9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 45 69.507 -10.632 10.204 1.00 0.00 H new ATOM 665 N ASN A 46 71.203 -6.329 8.539 1.00 0.00 N ATOM 666 CA ASN A 46 71.755 -5.288 9.397 1.00 0.00 C ATOM 667 C ASN A 46 71.755 -3.950 8.666 1.00 0.00 C ATOM 668 O ASN A 46 71.294 -2.939 9.194 1.00 0.00 O ATOM 669 CB ASN A 46 73.186 -5.631 9.808 1.00 0.00 C ATOM 670 CG ASN A 46 73.197 -6.959 10.554 1.00 0.00 C ATOM 671 OD1 ASN A 46 73.976 -7.918 10.138 1.00 0.00 O flip ATOM 672 ND2 ASN A 46 72.482 -7.130 11.542 1.00 0.00 N flip ATOM 0 H ASN A 46 71.890 -6.985 8.167 1.00 0.00 H new ATOM 0 HA ASN A 46 71.132 -5.220 10.289 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.824 -5.692 8.926 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.592 -4.843 10.442 1.00 0.00 H new ATOM 0 HD21 ASN A 46 71.873 -6.379 11.867 1.00 0.00 H new ATOM 0 HD22 ASN A 46 72.499 -8.022 12.036 1.00 0.00 H new ATOM 679 N THR A 47 72.279 -3.957 7.440 1.00 0.00 N ATOM 680 CA THR A 47 72.335 -2.732 6.636 1.00 0.00 C ATOM 681 C THR A 47 70.937 -2.140 6.454 1.00 0.00 C ATOM 682 O THR A 47 70.696 -0.969 6.754 1.00 0.00 O ATOM 683 CB THR A 47 72.941 -3.015 5.257 1.00 0.00 C ATOM 684 OG1 THR A 47 73.792 -4.148 5.337 1.00 0.00 O ATOM 685 CG2 THR A 47 73.751 -1.805 4.792 1.00 0.00 C ATOM 0 H THR A 47 72.666 -4.784 6.985 1.00 0.00 H new ATOM 0 HA THR A 47 72.964 -2.018 7.167 1.00 0.00 H new ATOM 0 HB THR A 47 72.139 -3.209 4.545 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.250 -4.964 5.353 1.00 0.00 H new ATOM 0 HG21 THR A 47 74.180 -2.010 3.811 1.00 0.00 H new ATOM 0 HG22 THR A 47 73.099 -0.934 4.728 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.552 -1.608 5.505 1.00 0.00 H new ATOM 693 N VAL A 48 70.017 -2.970 5.971 1.00 0.00 N ATOM 694 CA VAL A 48 68.638 -2.528 5.759 1.00 0.00 C ATOM 695 C VAL A 48 68.027 -2.064 7.080 1.00 0.00 C ATOM 696 O VAL A 48 67.187 -1.166 7.110 1.00 0.00 O ATOM 697 CB VAL A 48 67.789 -3.663 5.174 1.00 0.00 C ATOM 698 CG1 VAL A 48 66.381 -3.149 4.857 1.00 0.00 C ATOM 699 CG2 VAL A 48 68.440 -4.173 3.885 1.00 0.00 C ATOM 0 H VAL A 48 70.196 -3.942 5.721 1.00 0.00 H new ATOM 0 HA VAL A 48 68.651 -1.698 5.053 1.00 0.00 H new ATOM 0 HB VAL A 48 67.724 -4.472 5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.783 -3.960 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.913 -2.784 5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 48 66.445 -2.337 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 48 67.838 -4.980 3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 48 68.505 -3.359 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.441 -4.544 4.105 1.00 0.00 H new ATOM 709 N GLY A 49 68.470 -2.682 8.175 1.00 0.00 N ATOM 710 CA GLY A 49 67.970 -2.315 9.497 1.00 0.00 C ATOM 711 C GLY A 49 68.300 -0.859 9.799 1.00 0.00 C ATOM 712 O GLY A 49 67.497 -0.128 10.385 1.00 0.00 O ATOM 0 H GLY A 49 69.165 -3.429 8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.892 -2.468 9.541 1.00 0.00 H new ATOM 0 HA3 GLY A 49 68.415 -2.961 10.254 1.00 0.00 H new ATOM 716 N ARG A 50 69.492 -0.441 9.380 1.00 0.00 N ATOM 717 CA ARG A 50 69.924 0.931 9.598 1.00 0.00 C ATOM 718 C ARG A 50 69.074 1.877 8.763 1.00 0.00 C ATOM 719 O ARG A 50 68.761 2.988 9.185 1.00 0.00 O ATOM 720 CB ARG A 50 71.394 1.103 9.210 1.00 0.00 C ATOM 721 CG ARG A 50 71.927 2.413 9.794 1.00 0.00 C ATOM 722 CD ARG A 50 72.413 2.175 11.224 1.00 0.00 C ATOM 723 NE ARG A 50 73.793 1.682 11.224 1.00 0.00 N ATOM 724 CZ ARG A 50 74.478 1.483 12.359 1.00 0.00 C ATOM 725 NH1 ARG A 50 73.939 1.723 13.531 1.00 0.00 N ATOM 726 NH2 ARG A 50 75.704 1.042 12.297 1.00 0.00 N ATOM 0 H ARG A 50 70.168 -1.029 8.892 1.00 0.00 H new ATOM 0 HA ARG A 50 69.807 1.163 10.657 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.980 0.262 9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.496 1.108 8.125 1.00 0.00 H new ATOM 0 HG2 ARG A 50 72.744 2.791 9.179 1.00 0.00 H new ATOM 0 HG3 ARG A 50 71.144 3.172 9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 50 72.352 3.102 11.794 1.00 0.00 H new ATOM 0 HD3 ARG A 50 71.763 1.454 11.719 1.00 0.00 H new ATOM 0 HE ARG A 50 74.247 1.484 10.332 1.00 0.00 H new ATOM 0 HH11 ARG A 50 72.981 2.068 13.591 1.00 0.00 H new ATOM 0 HH12 ARG A 50 74.478 1.565 14.382 1.00 0.00 H new ATOM 0 HH21 ARG A 50 76.132 0.852 11.391 1.00 0.00 H new ATOM 0 HH22 ARG A 50 76.234 0.887 13.154 1.00 0.00 H new ATOM 740 N ILE A 51 68.696 1.417 7.575 1.00 0.00 N ATOM 741 CA ILE A 51 67.869 2.232 6.689 1.00 0.00 C ATOM 742 C ILE A 51 66.490 2.434 7.301 1.00 0.00 C ATOM 743 O ILE A 51 66.028 3.560 7.468 1.00 0.00 O ATOM 744 CB ILE A 51 67.702 1.572 5.313 1.00 0.00 C ATOM 745 CG1 ILE A 51 69.059 1.092 4.771 1.00 0.00 C ATOM 746 CG2 ILE A 51 67.099 2.586 4.338 1.00 0.00 C ATOM 747 CD1 ILE A 51 70.054 2.257 4.701 1.00 0.00 C ATOM 0 H ILE A 51 68.944 0.499 7.206 1.00 0.00 H new ATOM 0 HA ILE A 51 68.372 3.191 6.563 1.00 0.00 H new ATOM 0 HB ILE A 51 67.043 0.710 5.416 1.00 0.00 H new ATOM 0 HG12 ILE A 51 69.456 0.306 5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 51 68.928 0.658 3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 51 66.978 2.122 3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 51 66.127 2.912 4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 51 67.762 3.447 4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 51 71.008 1.898 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.663 3.030 4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 51 70.199 2.672 5.698 1.00 0.00 H new ATOM 759 N GLU A 52 65.834 1.327 7.630 1.00 0.00 N ATOM 760 CA GLU A 52 64.499 1.393 8.221 1.00 0.00 C ATOM 761 C GLU A 52 64.499 2.220 9.507 1.00 0.00 C ATOM 762 O GLU A 52 63.463 2.740 9.916 1.00 0.00 O ATOM 763 CB GLU A 52 63.979 -0.014 8.531 1.00 0.00 C ATOM 764 CG GLU A 52 64.967 -0.736 9.449 1.00 0.00 C ATOM 765 CD GLU A 52 64.429 -2.123 9.784 1.00 0.00 C ATOM 766 OE1 GLU A 52 64.233 -2.898 8.862 1.00 0.00 O ATOM 767 OE2 GLU A 52 64.221 -2.390 10.956 1.00 0.00 O ATOM 0 H GLU A 52 66.198 0.383 7.500 1.00 0.00 H new ATOM 0 HA GLU A 52 63.846 1.874 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 52 63.001 0.046 9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.849 -0.576 7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.939 -0.819 8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 52 65.117 -0.162 10.363 1.00 0.00 H new ATOM 774 N ARG A 53 65.662 2.335 10.146 1.00 0.00 N ATOM 775 CA ARG A 53 65.753 3.104 11.385 1.00 0.00 C ATOM 776 C ARG A 53 66.151 4.549 11.102 1.00 0.00 C ATOM 777 O ARG A 53 65.533 5.488 11.603 1.00 0.00 O ATOM 778 CB ARG A 53 66.782 2.478 12.330 1.00 0.00 C ATOM 779 CG ARG A 53 66.403 2.793 13.780 1.00 0.00 C ATOM 780 CD ARG A 53 65.588 1.635 14.360 1.00 0.00 C ATOM 781 NE ARG A 53 65.874 1.467 15.787 1.00 0.00 N ATOM 782 CZ ARG A 53 65.481 2.366 16.703 1.00 0.00 C ATOM 783 NH1 ARG A 53 64.817 3.443 16.358 1.00 0.00 N ATOM 784 NH2 ARG A 53 65.767 2.164 17.960 1.00 0.00 N ATOM 0 H ARG A 53 66.538 1.915 9.834 1.00 0.00 H new ATOM 0 HA ARG A 53 64.770 3.090 11.855 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.821 1.399 12.179 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.777 2.866 12.110 1.00 0.00 H new ATOM 0 HG2 ARG A 53 67.302 2.952 14.375 1.00 0.00 H new ATOM 0 HG3 ARG A 53 65.824 3.716 13.823 1.00 0.00 H new ATOM 0 HD2 ARG A 53 64.524 1.824 14.217 1.00 0.00 H new ATOM 0 HD3 ARG A 53 65.823 0.714 13.826 1.00 0.00 H new ATOM 0 HE ARG A 53 66.388 0.641 16.094 1.00 0.00 H new ATOM 0 HH11 ARG A 53 64.590 3.610 15.378 1.00 0.00 H new ATOM 0 HH12 ARG A 53 64.528 4.114 17.070 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.284 1.330 18.238 1.00 0.00 H new ATOM 0 HH22 ARG A 53 65.474 2.840 18.665 1.00 0.00 H new ATOM 798 N ASP A 54 67.198 4.715 10.304 1.00 0.00 N ATOM 799 CA ASP A 54 67.685 6.046 9.963 1.00 0.00 C ATOM 800 C ASP A 54 66.694 6.781 9.066 1.00 0.00 C ATOM 801 O ASP A 54 66.530 7.996 9.165 1.00 0.00 O ATOM 802 CB ASP A 54 69.026 5.949 9.237 1.00 0.00 C ATOM 803 CG ASP A 54 70.144 5.741 10.252 1.00 0.00 C ATOM 804 OD1 ASP A 54 70.039 4.814 11.038 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.089 6.512 10.230 1.00 0.00 O ATOM 0 H ASP A 54 67.724 3.949 9.883 1.00 0.00 H new ATOM 0 HA ASP A 54 67.804 6.601 10.893 1.00 0.00 H new ATOM 0 HB2 ASP A 54 69.007 5.122 8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.207 6.858 8.663 1.00 0.00 H new ATOM 810 N TYR A 55 66.040 6.031 8.185 1.00 0.00 N ATOM 811 CA TYR A 55 65.073 6.626 7.266 1.00 0.00 C ATOM 812 C TYR A 55 63.651 6.486 7.806 1.00 0.00 C ATOM 813 O TYR A 55 62.774 7.289 7.488 1.00 0.00 O ATOM 814 CB TYR A 55 65.153 5.955 5.892 1.00 0.00 C ATOM 815 CG TYR A 55 66.505 6.224 5.275 1.00 0.00 C ATOM 816 CD1 TYR A 55 67.658 5.662 5.837 1.00 0.00 C ATOM 817 CD2 TYR A 55 66.606 7.036 4.139 1.00 0.00 C ATOM 818 CE1 TYR A 55 68.910 5.912 5.264 1.00 0.00 C ATOM 819 CE2 TYR A 55 67.859 7.286 3.566 1.00 0.00 C ATOM 820 CZ TYR A 55 69.011 6.723 4.128 1.00 0.00 C ATOM 821 OH TYR A 55 70.245 6.971 3.564 1.00 0.00 O ATOM 0 H TYR A 55 66.159 5.023 8.087 1.00 0.00 H new ATOM 0 HA TYR A 55 65.318 7.684 7.170 1.00 0.00 H new ATOM 0 HB2 TYR A 55 64.994 4.881 5.991 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.364 6.336 5.244 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.581 5.035 6.713 1.00 0.00 H new ATOM 0 HD2 TYR A 55 65.717 7.470 3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 55 69.799 5.479 5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 55 67.937 7.913 2.690 1.00 0.00 H new ATOM 0 HH TYR A 55 70.136 7.551 2.782 1.00 0.00 H new ATOM 831 N GLY A 56 63.425 5.459 8.624 1.00 0.00 N ATOM 832 CA GLY A 56 62.096 5.237 9.189 1.00 0.00 C ATOM 833 C GLY A 56 61.155 4.672 8.132 1.00 0.00 C ATOM 834 O GLY A 56 59.982 5.037 8.062 1.00 0.00 O ATOM 0 H GLY A 56 64.131 4.779 8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 56 62.163 4.548 10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 56 61.697 6.175 9.576 1.00 0.00 H new ATOM 838 N VAL A 57 61.688 3.776 7.307 1.00 0.00 N ATOM 839 CA VAL A 57 60.895 3.162 6.245 1.00 0.00 C ATOM 840 C VAL A 57 59.768 2.321 6.839 1.00 0.00 C ATOM 841 O VAL A 57 59.883 1.791 7.945 1.00 0.00 O ATOM 842 CB VAL A 57 61.777 2.269 5.363 1.00 0.00 C ATOM 843 CG1 VAL A 57 60.961 1.744 4.178 1.00 0.00 C ATOM 844 CG2 VAL A 57 62.962 3.081 4.835 1.00 0.00 C ATOM 0 H VAL A 57 62.657 3.460 7.351 1.00 0.00 H new ATOM 0 HA VAL A 57 60.469 3.961 5.638 1.00 0.00 H new ATOM 0 HB VAL A 57 62.141 1.430 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 57 61.592 1.110 3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 57 60.115 1.164 4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 57 60.594 2.584 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 57 63.588 2.446 4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 57 62.594 3.921 4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.549 3.455 5.674 1.00 0.00 H new ATOM 854 N GLN A 58 58.677 2.207 6.087 1.00 0.00 N ATOM 855 CA GLN A 58 57.527 1.429 6.534 1.00 0.00 C ATOM 856 C GLN A 58 56.436 1.436 5.463 1.00 0.00 C ATOM 857 O GLN A 58 55.326 1.925 5.677 1.00 0.00 O ATOM 858 CB GLN A 58 56.965 2.002 7.839 1.00 0.00 C ATOM 859 CG GLN A 58 56.226 0.899 8.603 1.00 0.00 C ATOM 860 CD GLN A 58 56.436 1.088 10.102 1.00 0.00 C ATOM 861 OE1 GLN A 58 55.872 2.004 10.703 1.00 0.00 O ATOM 862 NE2 GLN A 58 57.219 0.268 10.747 1.00 0.00 N ATOM 0 H GLN A 58 58.566 2.641 5.171 1.00 0.00 H new ATOM 0 HA GLN A 58 57.855 0.404 6.708 1.00 0.00 H new ATOM 0 HB2 GLN A 58 57.773 2.404 8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 58 56.287 2.828 7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 58 55.162 0.929 8.368 1.00 0.00 H new ATOM 0 HG3 GLN A 58 56.593 -0.080 8.294 1.00 0.00 H new ATOM 0 HE21 GLN A 58 57.685 -0.490 10.249 1.00 0.00 H new ATOM 0 HE22 GLN A 58 57.365 0.385 11.750 1.00 0.00 H new ATOM 871 N LEU A 59 56.774 0.885 4.301 1.00 0.00 N ATOM 872 CA LEU A 59 55.826 0.829 3.191 1.00 0.00 C ATOM 873 C LEU A 59 55.361 -0.607 2.950 1.00 0.00 C ATOM 874 O LEU A 59 54.240 -0.842 2.500 1.00 0.00 O ATOM 875 CB LEU A 59 56.464 1.377 1.909 1.00 0.00 C ATOM 876 CG LEU A 59 57.579 0.517 1.302 1.00 0.00 C ATOM 877 CD1 LEU A 59 57.750 0.880 -0.176 1.00 0.00 C ATOM 878 CD2 LEU A 59 58.897 0.767 2.052 1.00 0.00 C ATOM 0 H LEU A 59 57.687 0.475 4.104 1.00 0.00 H new ATOM 0 HA LEU A 59 54.966 1.444 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 59 55.681 1.505 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.868 2.367 2.120 1.00 0.00 H new ATOM 0 HG LEU A 59 57.314 -0.536 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.542 0.271 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.816 0.694 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 59 58.014 1.934 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 59 59.686 0.153 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 59 59.169 1.819 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 59 58.773 0.506 3.103 1.00 0.00 H new ATOM 890 N GLY A 60 56.234 -1.563 3.255 1.00 0.00 N ATOM 891 CA GLY A 60 55.900 -2.972 3.068 1.00 0.00 C ATOM 892 C GLY A 60 56.986 -3.872 3.647 1.00 0.00 C ATOM 893 O GLY A 60 58.156 -3.772 3.281 1.00 0.00 O ATOM 0 H GLY A 60 57.168 -1.391 3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 60 54.947 -3.190 3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 60 55.776 -3.182 2.006 1.00 0.00 H new ATOM 897 N ASP A 61 56.581 -4.754 4.557 1.00 0.00 N ATOM 898 CA ASP A 61 57.523 -5.675 5.187 1.00 0.00 C ATOM 899 C ASP A 61 58.136 -6.615 4.151 1.00 0.00 C ATOM 900 O ASP A 61 59.264 -7.085 4.309 1.00 0.00 O ATOM 901 CB ASP A 61 56.819 -6.509 6.260 1.00 0.00 C ATOM 902 CG ASP A 61 56.251 -5.586 7.332 1.00 0.00 C ATOM 903 OD1 ASP A 61 55.418 -4.761 6.994 1.00 0.00 O ATOM 904 OD2 ASP A 61 56.655 -5.717 8.475 1.00 0.00 O ATOM 0 H ASP A 61 55.616 -4.850 4.873 1.00 0.00 H new ATOM 0 HA ASP A 61 58.313 -5.080 5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 61 56.019 -7.098 5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 61 57.521 -7.213 6.707 1.00 0.00 H new ATOM 909 N ASP A 62 57.384 -6.883 3.084 1.00 0.00 N ATOM 910 CA ASP A 62 57.870 -7.770 2.032 1.00 0.00 C ATOM 911 C ASP A 62 58.852 -7.061 1.096 1.00 0.00 C ATOM 912 O ASP A 62 59.359 -7.665 0.151 1.00 0.00 O ATOM 913 CB ASP A 62 56.701 -8.311 1.207 1.00 0.00 C ATOM 914 CG ASP A 62 55.866 -7.148 0.682 1.00 0.00 C ATOM 915 OD1 ASP A 62 55.005 -6.685 1.412 1.00 0.00 O ATOM 916 OD2 ASP A 62 56.100 -6.736 -0.442 1.00 0.00 O ATOM 0 H ASP A 62 56.450 -6.504 2.927 1.00 0.00 H new ATOM 0 HA ASP A 62 58.392 -8.591 2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.075 -8.908 0.375 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.084 -8.968 1.819 1.00 0.00 H new ATOM 921 N ALA A 63 59.137 -5.783 1.364 1.00 0.00 N ATOM 922 CA ALA A 63 60.079 -5.032 0.539 1.00 0.00 C ATOM 923 C ALA A 63 61.433 -5.732 0.520 1.00 0.00 C ATOM 924 O ALA A 63 62.155 -5.700 -0.476 1.00 0.00 O ATOM 925 CB ALA A 63 60.263 -3.624 1.100 1.00 0.00 C ATOM 0 H ALA A 63 58.733 -5.255 2.137 1.00 0.00 H new ATOM 0 HA ALA A 63 59.679 -4.976 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 63 60.968 -3.073 0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 63 59.304 -3.107 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 63 60.650 -3.685 2.117 1.00 0.00 H new ATOM 931 N VAL A 64 61.759 -6.370 1.639 1.00 0.00 N ATOM 932 CA VAL A 64 63.025 -7.089 1.749 1.00 0.00 C ATOM 933 C VAL A 64 63.006 -8.340 0.874 1.00 0.00 C ATOM 934 O VAL A 64 64.051 -8.814 0.426 1.00 0.00 O ATOM 935 CB VAL A 64 63.291 -7.498 3.200 1.00 0.00 C ATOM 936 CG1 VAL A 64 63.560 -6.248 4.041 1.00 0.00 C ATOM 937 CG2 VAL A 64 62.073 -8.238 3.760 1.00 0.00 C ATOM 0 H VAL A 64 61.173 -6.405 2.473 1.00 0.00 H new ATOM 0 HA VAL A 64 63.818 -6.421 1.413 1.00 0.00 H new ATOM 0 HB VAL A 64 64.160 -8.156 3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 64 63.749 -6.539 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 64 64.430 -5.724 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 64 62.692 -5.590 4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 64 62.266 -8.527 4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 64 61.202 -7.584 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 64 61.883 -9.130 3.163 1.00 0.00 H new ATOM 947 N GLU A 65 61.808 -8.874 0.634 1.00 0.00 N ATOM 948 CA GLU A 65 61.672 -10.071 -0.188 1.00 0.00 C ATOM 949 C GLU A 65 61.962 -9.752 -1.652 1.00 0.00 C ATOM 950 O GLU A 65 62.856 -10.336 -2.264 1.00 0.00 O ATOM 951 CB GLU A 65 60.255 -10.639 -0.075 1.00 0.00 C ATOM 952 CG GLU A 65 60.247 -12.091 -0.555 1.00 0.00 C ATOM 953 CD GLU A 65 58.830 -12.650 -0.468 1.00 0.00 C ATOM 954 OE1 GLU A 65 58.340 -12.796 0.640 1.00 0.00 O ATOM 955 OE2 GLU A 65 58.256 -12.921 -1.509 1.00 0.00 O ATOM 0 H GLU A 65 60.929 -8.500 0.993 1.00 0.00 H new ATOM 0 HA GLU A 65 62.390 -10.808 0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 65 59.911 -10.585 0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 65 59.565 -10.044 -0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 65 60.609 -12.147 -1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 65 60.923 -12.690 0.055 1.00 0.00 H new ATOM 962 N LYS A 66 61.193 -8.818 -2.206 1.00 0.00 N ATOM 963 CA LYS A 66 61.369 -8.426 -3.601 1.00 0.00 C ATOM 964 C LYS A 66 62.762 -7.844 -3.826 1.00 0.00 C ATOM 965 O LYS A 66 63.350 -8.000 -4.895 1.00 0.00 O ATOM 966 CB LYS A 66 60.324 -7.382 -3.999 1.00 0.00 C ATOM 967 CG LYS A 66 58.922 -7.950 -3.774 1.00 0.00 C ATOM 968 CD LYS A 66 57.969 -7.392 -4.834 1.00 0.00 C ATOM 969 CE LYS A 66 57.326 -6.105 -4.317 1.00 0.00 C ATOM 970 NZ LYS A 66 56.408 -5.556 -5.356 1.00 0.00 N ATOM 0 H LYS A 66 60.449 -8.323 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 66 61.247 -9.318 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.459 -6.475 -3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.452 -7.105 -5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 66 58.946 -9.038 -3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.568 -7.688 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 66 58.512 -7.194 -5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 66 57.199 -8.127 -5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 66 56.775 -6.305 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 66 58.096 -5.373 -4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 55.970 -4.680 -5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 56.947 -5.351 -6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 55.666 -6.253 -5.567 1.00 0.00 H new ATOM 984 N ALA A 67 63.280 -7.166 -2.806 1.00 0.00 N ATOM 985 CA ALA A 67 64.604 -6.555 -2.904 1.00 0.00 C ATOM 986 C ALA A 67 65.675 -7.614 -3.162 1.00 0.00 C ATOM 987 O ALA A 67 66.209 -8.216 -2.231 1.00 0.00 O ATOM 988 CB ALA A 67 64.951 -5.805 -1.617 1.00 0.00 C ATOM 0 H ALA A 67 62.811 -7.026 -1.911 1.00 0.00 H new ATOM 0 HA ALA A 67 64.579 -5.855 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 67 65.941 -5.358 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.214 -5.021 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 67 64.946 -6.501 -0.778 1.00 0.00 H new ATOM 994 N THR A 68 65.993 -7.817 -4.438 1.00 0.00 N ATOM 995 CA THR A 68 67.020 -8.789 -4.814 1.00 0.00 C ATOM 996 C THR A 68 68.332 -8.063 -5.111 1.00 0.00 C ATOM 997 O THR A 68 69.420 -8.586 -4.874 1.00 0.00 O ATOM 998 CB THR A 68 66.585 -9.607 -6.040 1.00 0.00 C ATOM 999 OG1 THR A 68 67.566 -10.597 -6.314 1.00 0.00 O ATOM 1000 CG2 THR A 68 66.426 -8.698 -7.264 1.00 0.00 C ATOM 0 H THR A 68 65.561 -7.328 -5.222 1.00 0.00 H new ATOM 0 HA THR A 68 67.164 -9.477 -3.981 1.00 0.00 H new ATOM 0 HB THR A 68 65.626 -10.079 -5.827 1.00 0.00 H new ATOM 0 HG1 THR A 68 67.292 -11.122 -7.095 1.00 0.00 H new ATOM 0 HG21 THR A 68 66.118 -9.295 -8.123 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.670 -7.940 -7.059 1.00 0.00 H new ATOM 0 HG23 THR A 68 67.377 -8.212 -7.482 1.00 0.00 H new ATOM 1008 N THR A 69 68.207 -6.840 -5.623 1.00 0.00 N ATOM 1009 CA THR A 69 69.371 -6.020 -5.943 1.00 0.00 C ATOM 1010 C THR A 69 69.453 -4.867 -4.940 1.00 0.00 C ATOM 1011 O THR A 69 68.481 -4.592 -4.236 1.00 0.00 O ATOM 1012 CB THR A 69 69.254 -5.433 -7.365 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.928 -5.607 -7.848 1.00 0.00 O ATOM 1014 CG2 THR A 69 70.231 -6.135 -8.310 1.00 0.00 C ATOM 0 H THR A 69 67.311 -6.396 -5.825 1.00 0.00 H new ATOM 0 HA THR A 69 70.264 -6.643 -5.892 1.00 0.00 H new ATOM 0 HB THR A 69 69.495 -4.371 -7.326 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.857 -5.232 -8.750 1.00 0.00 H new ATOM 0 HG21 THR A 69 70.138 -5.711 -9.310 1.00 0.00 H new ATOM 0 HG22 THR A 69 71.250 -5.995 -7.950 1.00 0.00 H new ATOM 0 HG23 THR A 69 70.002 -7.200 -8.345 1.00 0.00 H new ATOM 1022 N PRO A 70 70.587 -4.161 -4.867 1.00 0.00 N ATOM 1023 CA PRO A 70 70.718 -3.031 -3.934 1.00 0.00 C ATOM 1024 C PRO A 70 69.834 -1.868 -4.356 1.00 0.00 C ATOM 1025 O PRO A 70 69.286 -1.152 -3.522 1.00 0.00 O ATOM 1026 CB PRO A 70 72.201 -2.690 -4.021 1.00 0.00 C ATOM 1027 CG PRO A 70 72.691 -3.229 -5.354 1.00 0.00 C ATOM 1028 CD PRO A 70 71.786 -4.413 -5.702 1.00 0.00 C ATOM 0 HA PRO A 70 70.400 -3.262 -2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 70 72.356 -1.613 -3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.751 -3.140 -3.195 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.639 -2.461 -6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.733 -3.543 -5.286 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.542 -4.438 -6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 70 72.255 -5.367 -5.460 1.00 0.00 H new ATOM 1036 N ARG A 71 69.676 -1.713 -5.667 1.00 0.00 N ATOM 1037 CA ARG A 71 68.829 -0.655 -6.198 1.00 0.00 C ATOM 1038 C ARG A 71 67.367 -0.912 -5.835 1.00 0.00 C ATOM 1039 O ARG A 71 66.567 0.018 -5.747 1.00 0.00 O ATOM 1040 CB ARG A 71 68.960 -0.574 -7.716 1.00 0.00 C ATOM 1041 CG ARG A 71 70.431 -0.372 -8.084 1.00 0.00 C ATOM 1042 CD ARG A 71 70.579 -0.243 -9.601 1.00 0.00 C ATOM 1043 NE ARG A 71 71.361 0.948 -9.935 1.00 0.00 N ATOM 1044 CZ ARG A 71 70.819 2.173 -9.973 1.00 0.00 C ATOM 1045 NH1 ARG A 71 69.552 2.367 -9.695 1.00 0.00 N ATOM 1046 NH2 ARG A 71 71.568 3.195 -10.284 1.00 0.00 N ATOM 0 H ARG A 71 70.119 -2.301 -6.373 1.00 0.00 H new ATOM 0 HA ARG A 71 69.153 0.288 -5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 71 68.580 -1.487 -8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 71 68.360 0.250 -8.101 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.817 0.523 -7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 71 71.023 -1.213 -7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 71 71.067 -1.131 -10.003 1.00 0.00 H new ATOM 0 HD3 ARG A 71 69.595 -0.182 -10.066 1.00 0.00 H new ATOM 0 HE ARG A 71 72.353 0.842 -10.146 1.00 0.00 H new ATOM 0 HH11 ARG A 71 68.958 1.577 -9.444 1.00 0.00 H new ATOM 0 HH12 ARG A 71 69.160 3.308 -9.730 1.00 0.00 H new ATOM 0 HH21 ARG A 71 72.556 3.057 -10.495 1.00 0.00 H new ATOM 0 HH22 ARG A 71 71.165 4.132 -10.316 1.00 0.00 H new ATOM 1060 N ALA A 72 67.025 -2.184 -5.614 1.00 0.00 N ATOM 1061 CA ALA A 72 65.657 -2.533 -5.249 1.00 0.00 C ATOM 1062 C ALA A 72 65.326 -1.926 -3.895 1.00 0.00 C ATOM 1063 O ALA A 72 64.295 -1.277 -3.719 1.00 0.00 O ATOM 1064 CB ALA A 72 65.488 -4.050 -5.179 1.00 0.00 C ATOM 0 H ALA A 72 67.666 -2.974 -5.681 1.00 0.00 H new ATOM 0 HA ALA A 72 64.981 -2.141 -6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.460 -4.289 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.716 -4.487 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 72 66.167 -4.458 -4.430 1.00 0.00 H new ATOM 1070 N LEU A 73 66.234 -2.127 -2.944 1.00 0.00 N ATOM 1071 CA LEU A 73 66.062 -1.581 -1.598 1.00 0.00 C ATOM 1072 C LEU A 73 65.917 -0.068 -1.671 1.00 0.00 C ATOM 1073 O LEU A 73 65.031 0.517 -1.051 1.00 0.00 O ATOM 1074 CB LEU A 73 67.266 -1.911 -0.717 1.00 0.00 C ATOM 1075 CG LEU A 73 67.645 -3.390 -0.657 1.00 0.00 C ATOM 1076 CD1 LEU A 73 69.060 -3.531 -0.093 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.660 -4.129 0.251 1.00 0.00 C ATOM 0 H LEU A 73 67.093 -2.661 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 73 65.167 -2.028 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.126 -1.347 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.060 -1.564 0.296 1.00 0.00 H new ATOM 0 HG LEU A 73 67.609 -3.817 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.331 -4.586 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.763 -3.002 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.096 -3.106 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.928 -5.185 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.698 -3.702 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.651 -4.027 -0.148 1.00 0.00 H new ATOM 1089 N ILE A 74 66.793 0.556 -2.462 1.00 0.00 N ATOM 1090 CA ILE A 74 66.753 2.011 -2.637 1.00 0.00 C ATOM 1091 C ILE A 74 65.378 2.427 -3.153 1.00 0.00 C ATOM 1092 O ILE A 74 64.798 3.415 -2.703 1.00 0.00 O ATOM 1093 CB ILE A 74 67.818 2.476 -3.646 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.209 2.035 -3.184 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.800 4.004 -3.761 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.223 2.312 -4.298 1.00 0.00 C ATOM 0 H ILE A 74 67.530 0.084 -2.986 1.00 0.00 H new ATOM 0 HA ILE A 74 66.954 2.473 -1.670 1.00 0.00 H new ATOM 0 HB ILE A 74 67.593 2.029 -4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.491 2.571 -2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.203 0.973 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.557 4.324 -4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.818 4.332 -4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 74 68.013 4.445 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.215 1.999 -3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.942 1.756 -5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.234 3.379 -4.523 1.00 0.00 H new ATOM 1108 N GLU A 75 64.866 1.654 -4.104 1.00 0.00 N ATOM 1109 CA GLU A 75 63.559 1.947 -4.680 1.00 0.00 C ATOM 1110 C GLU A 75 62.474 1.861 -3.616 1.00 0.00 C ATOM 1111 O GLU A 75 61.618 2.740 -3.509 1.00 0.00 O ATOM 1112 CB GLU A 75 63.237 0.961 -5.805 1.00 0.00 C ATOM 1113 CG GLU A 75 63.726 1.529 -7.139 1.00 0.00 C ATOM 1114 CD GLU A 75 62.675 2.479 -7.703 1.00 0.00 C ATOM 1115 OE1 GLU A 75 61.720 1.995 -8.289 1.00 0.00 O ATOM 1116 OE2 GLU A 75 62.840 3.678 -7.541 1.00 0.00 O ATOM 0 H GLU A 75 65.329 0.830 -4.488 1.00 0.00 H new ATOM 0 HA GLU A 75 63.589 2.959 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.715 0.001 -5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 75 62.163 0.779 -5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 75 64.670 2.056 -6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 75 63.915 0.719 -7.844 1.00 0.00 H new ATOM 1123 N MET A 76 62.520 0.792 -2.829 1.00 0.00 N ATOM 1124 CA MET A 76 61.537 0.598 -1.767 1.00 0.00 C ATOM 1125 C MET A 76 61.587 1.761 -0.780 1.00 0.00 C ATOM 1126 O MET A 76 60.558 2.216 -0.281 1.00 0.00 O ATOM 1127 CB MET A 76 61.812 -0.713 -1.024 1.00 0.00 C ATOM 1128 CG MET A 76 60.985 -1.842 -1.647 1.00 0.00 C ATOM 1129 SD MET A 76 61.528 -2.141 -3.349 1.00 0.00 S ATOM 1130 CE MET A 76 59.987 -2.871 -3.954 1.00 0.00 C ATOM 0 H MET A 76 63.219 0.053 -2.904 1.00 0.00 H new ATOM 0 HA MET A 76 60.546 0.554 -2.219 1.00 0.00 H new ATOM 0 HB2 MET A 76 62.873 -0.956 -1.075 1.00 0.00 H new ATOM 0 HB3 MET A 76 61.560 -0.604 0.031 1.00 0.00 H new ATOM 0 HG2 MET A 76 61.094 -2.752 -1.057 1.00 0.00 H new ATOM 0 HG3 MET A 76 59.927 -1.579 -1.635 1.00 0.00 H new ATOM 0 HE1 MET A 76 60.098 -3.136 -5.005 1.00 0.00 H new ATOM 0 HE2 MET A 76 59.757 -3.766 -3.376 1.00 0.00 H new ATOM 0 HE3 MET A 76 59.176 -2.151 -3.845 1.00 0.00 H new ATOM 1140 N THR A 77 62.797 2.246 -0.514 1.00 0.00 N ATOM 1141 CA THR A 77 62.967 3.366 0.406 1.00 0.00 C ATOM 1142 C THR A 77 62.493 4.656 -0.250 1.00 0.00 C ATOM 1143 O THR A 77 61.634 5.361 0.275 1.00 0.00 O ATOM 1144 CB THR A 77 64.440 3.524 0.805 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.111 2.280 0.668 1.00 0.00 O ATOM 1146 CG2 THR A 77 64.532 3.994 2.258 1.00 0.00 C ATOM 0 H THR A 77 63.663 1.887 -0.916 1.00 0.00 H new ATOM 0 HA THR A 77 62.374 3.163 1.298 1.00 0.00 H new ATOM 0 HB THR A 77 64.909 4.261 0.154 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.291 2.108 -0.280 1.00 0.00 H new ATOM 0 HG21 THR A 77 65.579 4.105 2.539 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.024 4.953 2.363 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.058 3.259 2.909 1.00 0.00 H new ATOM 1154 N ASN A 78 63.061 4.950 -1.417 1.00 0.00 N ATOM 1155 CA ASN A 78 62.701 6.160 -2.159 1.00 0.00 C ATOM 1156 C ASN A 78 61.195 6.227 -2.383 1.00 0.00 C ATOM 1157 O ASN A 78 60.598 7.301 -2.394 1.00 0.00 O ATOM 1158 CB ASN A 78 63.404 6.180 -3.513 1.00 0.00 C ATOM 1159 CG ASN A 78 64.844 6.643 -3.327 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.182 7.788 -3.622 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.723 5.813 -2.845 1.00 0.00 N ATOM 0 H ASN A 78 63.769 4.372 -1.869 1.00 0.00 H new ATOM 0 HA ASN A 78 63.016 7.020 -1.569 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.384 5.186 -3.960 1.00 0.00 H new ATOM 0 HB3 ASN A 78 62.881 6.848 -4.197 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.689 6.113 -2.713 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.446 4.863 -2.599 1.00 0.00 H new ATOM 1168 N ALA A 79 60.597 5.055 -2.547 1.00 0.00 N ATOM 1169 CA ALA A 79 59.159 4.958 -2.757 1.00 0.00 C ATOM 1170 C ALA A 79 58.422 5.265 -1.462 1.00 0.00 C ATOM 1171 O ALA A 79 57.329 5.831 -1.467 1.00 0.00 O ATOM 1172 CB ALA A 79 58.785 3.548 -3.211 1.00 0.00 C ATOM 0 H ALA A 79 61.085 4.159 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 79 58.875 5.678 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.707 3.489 -3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.298 3.319 -4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 79 59.083 2.829 -2.448 1.00 0.00 H new ATOM 1178 N SER A 80 59.038 4.880 -0.350 1.00 0.00 N ATOM 1179 CA SER A 80 58.443 5.113 0.954 1.00 0.00 C ATOM 1180 C SER A 80 58.593 6.575 1.351 1.00 0.00 C ATOM 1181 O SER A 80 57.643 7.209 1.810 1.00 0.00 O ATOM 1182 CB SER A 80 59.104 4.226 2.009 1.00 0.00 C ATOM 1183 OG SER A 80 60.384 4.750 2.334 1.00 0.00 O ATOM 0 H SER A 80 59.942 4.409 -0.328 1.00 0.00 H new ATOM 0 HA SER A 80 57.383 4.866 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 80 58.481 4.179 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 80 59.201 3.207 1.634 1.00 0.00 H new ATOM 0 HG SER A 80 60.952 4.745 1.535 1.00 0.00 H new ATOM 1189 N LEU A 81 59.798 7.108 1.167 1.00 0.00 N ATOM 1190 CA LEU A 81 60.057 8.501 1.508 1.00 0.00 C ATOM 1191 C LEU A 81 59.184 9.430 0.670 1.00 0.00 C ATOM 1192 O LEU A 81 58.548 10.344 1.196 1.00 0.00 O ATOM 1193 CB LEU A 81 61.531 8.860 1.269 1.00 0.00 C ATOM 1194 CG LEU A 81 62.536 8.392 2.338 1.00 0.00 C ATOM 1195 CD1 LEU A 81 61.966 8.593 3.744 1.00 0.00 C ATOM 1196 CD2 LEU A 81 62.852 6.912 2.133 1.00 0.00 C ATOM 0 H LEU A 81 60.600 6.603 0.789 1.00 0.00 H new ATOM 0 HA LEU A 81 59.821 8.628 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 81 61.833 8.439 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 81 61.608 9.944 1.180 1.00 0.00 H new ATOM 0 HG LEU A 81 63.445 8.985 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 81 62.693 8.256 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 81 61.752 9.650 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 81 61.047 8.017 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 81 63.563 6.583 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 81 61.935 6.329 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 81 63.283 6.766 1.143 1.00 0.00 H new ATOM 1208 N THR A 82 59.159 9.192 -0.639 1.00 0.00 N ATOM 1209 CA THR A 82 58.357 10.028 -1.531 1.00 0.00 C ATOM 1210 C THR A 82 56.874 9.912 -1.183 1.00 0.00 C ATOM 1211 O THR A 82 56.123 10.882 -1.274 1.00 0.00 O ATOM 1212 CB THR A 82 58.571 9.629 -2.999 1.00 0.00 C ATOM 1213 OG1 THR A 82 57.795 10.479 -3.833 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.147 8.176 -3.218 1.00 0.00 C ATOM 0 H THR A 82 59.674 8.442 -1.100 1.00 0.00 H new ATOM 0 HA THR A 82 58.679 11.061 -1.397 1.00 0.00 H new ATOM 0 HB THR A 82 59.628 9.730 -3.247 1.00 0.00 H new ATOM 0 HG1 THR A 82 57.930 10.229 -4.771 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.303 7.905 -4.262 1.00 0.00 H new ATOM 0 HG22 THR A 82 58.743 7.523 -2.580 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.092 8.063 -2.968 1.00 0.00 H new ATOM 1222 N GLY A 83 56.464 8.710 -0.785 1.00 0.00 N ATOM 1223 CA GLY A 83 55.068 8.474 -0.426 1.00 0.00 C ATOM 1224 C GLY A 83 54.881 8.490 1.088 1.00 0.00 C ATOM 1225 O GLY A 83 53.980 7.843 1.622 1.00 0.00 O ATOM 0 H GLY A 83 57.070 7.894 -0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 83 54.438 9.238 -0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 83 54.744 7.513 -0.826 1.00 0.00 H new