USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 595 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 32 SER OG : rot 38:sc= 1.83 USER MOD Set 1.2: A 34 THR OG1 : rot -3:sc= 0.309 USER MOD Single : A 4 THR OG1 : rot 42:sc= 1.71 USER MOD Single : A 5 GLN : amide:sc= -0.153 K(o=-0.15,f=-2.8!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -127:sc= 0.361 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -109:sc= -0.0251 (180deg=-3.2!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc=-0.00321 USER MOD Single : A 44 MET CE :methyl -152:sc= -1.66 (180deg=-3.27!) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0295 (180deg=-0.258) USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= 1.28 (180deg=0.811) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 68 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0545) USER MOD Single : A 69 THR OG1 : rot -81:sc= 0.345! USER MOD Single : A 74 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00508) USER MOD Single : A 76 TYR OH : rot 80:sc= 0.15 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD ----------------------------------------------------------------- ATOM 40 N THR A 4 10.505 -7.663 -0.824 1.00 0.00 N ATOM 41 CA THR A 4 10.207 -7.604 -2.237 1.00 0.00 C ATOM 42 C THR A 4 8.694 -7.641 -2.438 1.00 0.00 C ATOM 43 O THR A 4 7.950 -7.562 -1.461 1.00 0.00 O ATOM 44 CB THR A 4 10.898 -8.754 -2.993 1.00 0.00 C ATOM 45 OG1 THR A 4 12.050 -9.191 -2.259 1.00 0.00 O ATOM 46 CG2 THR A 4 11.349 -8.274 -4.357 1.00 0.00 C ATOM 0 HA THR A 4 10.594 -6.670 -2.645 1.00 0.00 H new ATOM 0 HB THR A 4 10.191 -9.576 -3.104 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.836 -9.222 -1.303 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.837 -9.092 -4.887 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.484 -7.936 -4.928 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.051 -7.448 -4.238 1.00 0.00 H new ATOM 54 N GLN A 5 8.242 -7.770 -3.682 1.00 0.00 N ATOM 55 CA GLN A 5 6.827 -7.591 -4.017 1.00 0.00 C ATOM 56 C GLN A 5 5.900 -8.429 -3.133 1.00 0.00 C ATOM 57 O GLN A 5 5.012 -7.886 -2.483 1.00 0.00 O ATOM 58 CB GLN A 5 6.571 -7.937 -5.482 1.00 0.00 C ATOM 59 CG GLN A 5 5.219 -7.449 -5.980 1.00 0.00 C ATOM 60 CD GLN A 5 4.828 -8.048 -7.312 1.00 0.00 C ATOM 61 OE1 GLN A 5 5.185 -7.527 -8.367 1.00 0.00 O ATOM 62 NE2 GLN A 5 4.077 -9.137 -7.270 1.00 0.00 N ATOM 0 H GLN A 5 8.835 -7.999 -4.480 1.00 0.00 H new ATOM 0 HA GLN A 5 6.601 -6.540 -3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 5 7.358 -7.499 -6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.631 -9.018 -5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.456 -7.693 -5.240 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.241 -6.363 -6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.805 -9.534 -6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.770 -9.579 -8.137 1.00 0.00 H new ATOM 71 N GLU A 6 6.112 -9.738 -3.100 1.00 0.00 N ATOM 72 CA GLU A 6 5.242 -10.634 -2.334 1.00 0.00 C ATOM 73 C GLU A 6 5.336 -10.350 -0.832 1.00 0.00 C ATOM 74 O GLU A 6 4.344 -10.436 -0.103 1.00 0.00 O ATOM 75 CB GLU A 6 5.609 -12.095 -2.617 1.00 0.00 C ATOM 76 CG GLU A 6 7.037 -12.451 -2.232 1.00 0.00 C ATOM 77 CD GLU A 6 7.397 -13.880 -2.573 1.00 0.00 C ATOM 78 OE1 GLU A 6 6.981 -14.797 -1.834 1.00 0.00 O ATOM 79 OE2 GLU A 6 8.104 -14.095 -3.579 1.00 0.00 O ATOM 0 H GLU A 6 6.874 -10.206 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 6 4.214 -10.454 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.923 -12.745 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.467 -12.297 -3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.725 -11.776 -2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.170 -12.293 -1.162 1.00 0.00 H new ATOM 86 N GLU A 7 6.530 -9.990 -0.387 1.00 0.00 N ATOM 87 CA GLU A 7 6.798 -9.778 1.027 1.00 0.00 C ATOM 88 C GLU A 7 6.172 -8.476 1.508 1.00 0.00 C ATOM 89 O GLU A 7 5.479 -8.442 2.527 1.00 0.00 O ATOM 90 CB GLU A 7 8.305 -9.756 1.257 1.00 0.00 C ATOM 91 CG GLU A 7 9.014 -10.989 0.718 1.00 0.00 C ATOM 92 CD GLU A 7 10.520 -10.888 0.819 1.00 0.00 C ATOM 93 OE1 GLU A 7 11.124 -10.161 0.002 1.00 0.00 O ATOM 94 OE2 GLU A 7 11.104 -11.536 1.708 1.00 0.00 O ATOM 0 H GLU A 7 7.337 -9.837 -0.992 1.00 0.00 H new ATOM 0 HA GLU A 7 6.355 -10.594 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.725 -8.868 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.501 -9.671 2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.675 -11.867 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.733 -11.138 -0.325 1.00 0.00 H new ATOM 101 N ILE A 8 6.401 -7.405 0.759 1.00 0.00 N ATOM 102 CA ILE A 8 5.844 -6.110 1.109 1.00 0.00 C ATOM 103 C ILE A 8 4.332 -6.127 0.935 1.00 0.00 C ATOM 104 O ILE A 8 3.613 -5.479 1.684 1.00 0.00 O ATOM 105 CB ILE A 8 6.437 -4.959 0.271 1.00 0.00 C ATOM 106 CG1 ILE A 8 5.939 -3.615 0.808 1.00 0.00 C ATOM 107 CG2 ILE A 8 6.081 -5.119 -1.195 1.00 0.00 C ATOM 108 CD1 ILE A 8 6.134 -2.463 -0.145 1.00 0.00 C ATOM 0 H ILE A 8 6.966 -7.409 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 8 6.106 -5.929 2.151 1.00 0.00 H new ATOM 0 HB ILE A 8 7.523 -4.989 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.879 -3.701 1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.458 -3.393 1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.510 -4.295 -1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.480 -6.064 -1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.997 -5.113 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.756 -1.547 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.195 -2.348 -0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.592 -2.660 -1.070 1.00 0.00 H new ATOM 120 N VAL A 9 3.857 -6.885 -0.050 1.00 0.00 N ATOM 121 CA VAL A 9 2.429 -7.047 -0.268 1.00 0.00 C ATOM 122 C VAL A 9 1.768 -7.635 0.973 1.00 0.00 C ATOM 123 O VAL A 9 0.660 -7.248 1.336 1.00 0.00 O ATOM 124 CB VAL A 9 2.152 -7.917 -1.523 1.00 0.00 C ATOM 125 CG1 VAL A 9 0.927 -8.807 -1.356 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.970 -7.023 -2.742 1.00 0.00 C ATOM 0 H VAL A 9 4.444 -7.396 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 9 1.993 -6.065 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 9 3.015 -8.569 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.778 -9.394 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.077 -9.477 -0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.049 -8.187 -1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.776 -7.640 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.128 -6.351 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.876 -6.438 -2.903 1.00 0.00 H new ATOM 136 N ALA A 10 2.477 -8.529 1.650 1.00 0.00 N ATOM 137 CA ALA A 10 1.981 -9.106 2.892 1.00 0.00 C ATOM 138 C ALA A 10 1.886 -8.034 3.974 1.00 0.00 C ATOM 139 O ALA A 10 0.887 -7.938 4.684 1.00 0.00 O ATOM 140 CB ALA A 10 2.880 -10.245 3.350 1.00 0.00 C ATOM 0 H ALA A 10 3.394 -8.869 1.361 1.00 0.00 H new ATOM 0 HA ALA A 10 0.984 -9.508 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.493 -10.663 4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.903 -11.021 2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.889 -9.868 3.514 1.00 0.00 H new ATOM 146 N GLY A 11 2.922 -7.209 4.068 1.00 0.00 N ATOM 147 CA GLY A 11 2.938 -6.142 5.055 1.00 0.00 C ATOM 148 C GLY A 11 1.963 -5.027 4.726 1.00 0.00 C ATOM 149 O GLY A 11 1.328 -4.461 5.616 1.00 0.00 O ATOM 0 H GLY A 11 3.753 -7.259 3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.695 -6.555 6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.945 -5.730 5.123 1.00 0.00 H new ATOM 153 N LEU A 12 1.855 -4.712 3.440 1.00 0.00 N ATOM 154 CA LEU A 12 0.905 -3.721 2.957 1.00 0.00 C ATOM 155 C LEU A 12 -0.509 -4.201 3.271 1.00 0.00 C ATOM 156 O LEU A 12 -1.343 -3.442 3.757 1.00 0.00 O ATOM 157 CB LEU A 12 1.069 -3.525 1.440 1.00 0.00 C ATOM 158 CG LEU A 12 0.924 -2.085 0.912 1.00 0.00 C ATOM 159 CD1 LEU A 12 -0.406 -1.475 1.324 1.00 0.00 C ATOM 160 CD2 LEU A 12 2.081 -1.218 1.385 1.00 0.00 C ATOM 0 H LEU A 12 2.423 -5.136 2.706 1.00 0.00 H new ATOM 0 HA LEU A 12 1.089 -2.766 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.053 -3.896 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.333 -4.149 0.934 1.00 0.00 H new ATOM 0 HG LEU A 12 0.948 -2.128 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.476 -0.459 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.222 -2.075 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.475 -1.453 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.958 -0.206 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.095 -1.193 2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.020 -1.633 1.019 1.00 0.00 H new ATOM 172 N ALA A 13 -0.749 -5.479 3.007 1.00 0.00 N ATOM 173 CA ALA A 13 -2.026 -6.112 3.307 1.00 0.00 C ATOM 174 C ALA A 13 -2.357 -6.023 4.788 1.00 0.00 C ATOM 175 O ALA A 13 -3.463 -5.632 5.168 1.00 0.00 O ATOM 176 CB ALA A 13 -1.994 -7.564 2.878 1.00 0.00 C ATOM 0 H ALA A 13 -0.066 -6.104 2.580 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.801 -5.581 2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.952 -8.032 3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.807 -7.623 1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.200 -8.084 3.414 1.00 0.00 H new ATOM 182 N GLU A 14 -1.380 -6.387 5.611 1.00 0.00 N ATOM 183 CA GLU A 14 -1.499 -6.312 7.065 1.00 0.00 C ATOM 184 C GLU A 14 -1.900 -4.899 7.488 1.00 0.00 C ATOM 185 O GLU A 14 -2.621 -4.699 8.466 1.00 0.00 O ATOM 186 CB GLU A 14 -0.153 -6.683 7.698 1.00 0.00 C ATOM 187 CG GLU A 14 -0.195 -6.873 9.209 1.00 0.00 C ATOM 188 CD GLU A 14 1.186 -7.078 9.808 1.00 0.00 C ATOM 189 OE1 GLU A 14 1.687 -8.227 9.809 1.00 0.00 O ATOM 190 OE2 GLU A 14 1.784 -6.083 10.269 1.00 0.00 O ATOM 0 H GLU A 14 -0.480 -6.744 5.289 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.267 -7.008 7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.208 -7.603 7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.572 -5.903 7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.661 -6.002 9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.822 -7.732 9.447 1.00 0.00 H new ATOM 197 N ILE A 15 -1.427 -3.932 6.719 1.00 0.00 N ATOM 198 CA ILE A 15 -1.680 -2.529 6.974 1.00 0.00 C ATOM 199 C ILE A 15 -3.079 -2.095 6.532 1.00 0.00 C ATOM 200 O ILE A 15 -3.810 -1.478 7.303 1.00 0.00 O ATOM 201 CB ILE A 15 -0.616 -1.668 6.266 1.00 0.00 C ATOM 202 CG1 ILE A 15 0.639 -1.538 7.135 1.00 0.00 C ATOM 203 CG2 ILE A 15 -1.167 -0.305 5.886 1.00 0.00 C ATOM 204 CD1 ILE A 15 0.422 -0.805 8.446 1.00 0.00 C ATOM 0 H ILE A 15 -0.852 -4.103 5.894 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.623 -2.382 8.052 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.337 -2.173 5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.022 -2.536 7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.408 -1.017 6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.390 0.276 5.389 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.014 -0.430 5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.493 0.219 6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.361 -0.759 8.997 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.070 0.207 8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.322 -1.335 9.041 1.00 0.00 H new ATOM 216 N VAL A 16 -3.454 -2.404 5.294 1.00 0.00 N ATOM 217 CA VAL A 16 -4.747 -1.971 4.769 1.00 0.00 C ATOM 218 C VAL A 16 -5.873 -2.678 5.511 1.00 0.00 C ATOM 219 O VAL A 16 -7.008 -2.198 5.558 1.00 0.00 O ATOM 220 CB VAL A 16 -4.888 -2.237 3.259 1.00 0.00 C ATOM 221 CG1 VAL A 16 -6.093 -1.500 2.695 1.00 0.00 C ATOM 222 CG2 VAL A 16 -3.624 -1.837 2.523 1.00 0.00 C ATOM 0 H VAL A 16 -2.889 -2.947 4.641 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.809 -0.894 4.924 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.042 -3.306 3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.175 -1.701 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.997 -1.842 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.972 -0.429 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.746 -2.033 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.434 -0.775 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.782 -2.415 2.905 1.00 0.00 H new ATOM 232 N ASN A 17 -5.544 -3.830 6.083 1.00 0.00 N ATOM 233 CA ASN A 17 -6.471 -4.574 6.927 1.00 0.00 C ATOM 234 C ASN A 17 -6.885 -3.729 8.137 1.00 0.00 C ATOM 235 O ASN A 17 -7.965 -3.910 8.698 1.00 0.00 O ATOM 236 CB ASN A 17 -5.812 -5.885 7.372 1.00 0.00 C ATOM 237 CG ASN A 17 -6.728 -6.778 8.185 1.00 0.00 C ATOM 238 OD1 ASN A 17 -6.728 -6.731 9.412 1.00 0.00 O ATOM 239 ND2 ASN A 17 -7.494 -7.621 7.507 1.00 0.00 N ATOM 0 H ASN A 17 -4.632 -4.273 5.976 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.372 -4.808 6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.475 -6.430 6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.925 -5.654 7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.112 -8.261 8.005 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.465 -7.629 6.487 1.00 0.00 H new ATOM 246 N GLU A 18 -6.025 -2.785 8.508 1.00 0.00 N ATOM 247 CA GLU A 18 -6.312 -1.847 9.589 1.00 0.00 C ATOM 248 C GLU A 18 -7.337 -0.817 9.130 1.00 0.00 C ATOM 249 O GLU A 18 -8.129 -0.308 9.923 1.00 0.00 O ATOM 250 CB GLU A 18 -5.024 -1.122 10.006 1.00 0.00 C ATOM 251 CG GLU A 18 -5.166 -0.249 11.242 1.00 0.00 C ATOM 252 CD GLU A 18 -5.396 -1.044 12.509 1.00 0.00 C ATOM 253 OE1 GLU A 18 -6.536 -1.490 12.744 1.00 0.00 O ATOM 254 OE2 GLU A 18 -4.435 -1.210 13.292 1.00 0.00 O ATOM 0 H GLU A 18 -5.114 -2.649 8.070 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.711 -2.403 10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.247 -1.864 10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.685 -0.502 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.266 0.355 11.358 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.997 0.442 11.098 1.00 0.00 H new ATOM 261 N ILE A 19 -7.318 -0.524 7.835 1.00 0.00 N ATOM 262 CA ILE A 19 -8.120 0.556 7.280 1.00 0.00 C ATOM 263 C ILE A 19 -9.540 0.100 6.969 1.00 0.00 C ATOM 264 O ILE A 19 -10.511 0.710 7.421 1.00 0.00 O ATOM 265 CB ILE A 19 -7.491 1.113 5.985 1.00 0.00 C ATOM 266 CG1 ILE A 19 -6.026 1.487 6.209 1.00 0.00 C ATOM 267 CG2 ILE A 19 -8.276 2.315 5.496 1.00 0.00 C ATOM 268 CD1 ILE A 19 -5.344 2.069 4.984 1.00 0.00 C ATOM 0 H ILE A 19 -6.753 -1.023 7.148 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.150 1.337 8.039 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.529 0.335 5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.966 2.209 7.023 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.480 0.600 6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.822 2.699 4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.305 2.019 5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.265 3.092 6.260 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.308 2.309 5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.370 1.341 4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.864 2.976 4.675 1.00 0.00 H new ATOM 280 N ALA A 20 -9.662 -0.981 6.210 1.00 0.00 N ATOM 281 CA ALA A 20 -10.965 -1.427 5.741 1.00 0.00 C ATOM 282 C ALA A 20 -11.180 -2.912 6.000 1.00 0.00 C ATOM 283 O ALA A 20 -11.713 -3.290 7.043 1.00 0.00 O ATOM 284 CB ALA A 20 -11.128 -1.103 4.267 1.00 0.00 C ATOM 0 H ALA A 20 -8.879 -1.561 5.908 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.728 -0.890 6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.107 -1.441 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.045 -0.026 4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.350 -1.609 3.695 1.00 0.00 H new ATOM 290 N GLY A 21 -10.767 -3.762 5.062 1.00 0.00 N ATOM 291 CA GLY A 21 -10.940 -5.186 5.267 1.00 0.00 C ATOM 292 C GLY A 21 -10.716 -6.032 4.028 1.00 0.00 C ATOM 293 O GLY A 21 -11.606 -6.773 3.610 1.00 0.00 O ATOM 0 H GLY A 21 -10.325 -3.496 4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.251 -5.514 6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.949 -5.367 5.637 1.00 0.00 H new ATOM 297 N ILE A 22 -9.541 -5.914 3.426 1.00 0.00 N ATOM 298 CA ILE A 22 -9.092 -6.909 2.464 1.00 0.00 C ATOM 299 C ILE A 22 -8.151 -7.874 3.177 1.00 0.00 C ATOM 300 O ILE A 22 -7.160 -7.440 3.768 1.00 0.00 O ATOM 301 CB ILE A 22 -8.357 -6.291 1.243 1.00 0.00 C ATOM 302 CG1 ILE A 22 -9.318 -5.494 0.348 1.00 0.00 C ATOM 303 CG2 ILE A 22 -7.661 -7.377 0.431 1.00 0.00 C ATOM 304 CD1 ILE A 22 -10.467 -6.308 -0.209 1.00 0.00 C ATOM 0 H ILE A 22 -8.887 -5.147 3.585 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.976 -7.416 2.077 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.607 -5.600 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.723 -4.660 0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.754 -5.067 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.152 -6.925 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.933 -7.890 1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.400 -8.093 0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.097 -5.671 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.074 -7.127 -0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.058 -6.713 0.613 1.00 0.00 H new ATOM 316 N PRO A 23 -8.466 -9.181 3.172 1.00 0.00 N ATOM 317 CA PRO A 23 -7.606 -10.200 3.783 1.00 0.00 C ATOM 318 C PRO A 23 -6.180 -10.118 3.253 1.00 0.00 C ATOM 319 O PRO A 23 -5.966 -9.796 2.081 1.00 0.00 O ATOM 320 CB PRO A 23 -8.255 -11.523 3.363 1.00 0.00 C ATOM 321 CG PRO A 23 -9.678 -11.181 3.094 1.00 0.00 C ATOM 322 CD PRO A 23 -9.682 -9.766 2.580 1.00 0.00 C ATOM 0 HA PRO A 23 -7.529 -10.080 4.864 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.773 -11.936 2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.170 -12.272 4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.110 -11.862 2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.277 -11.267 4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.653 -9.735 1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.578 -9.229 2.891 1.00 0.00 H new ATOM 330 N VAL A 24 -5.214 -10.419 4.113 1.00 0.00 N ATOM 331 CA VAL A 24 -3.799 -10.336 3.751 1.00 0.00 C ATOM 332 C VAL A 24 -3.462 -11.233 2.561 1.00 0.00 C ATOM 333 O VAL A 24 -2.472 -11.021 1.865 1.00 0.00 O ATOM 334 CB VAL A 24 -2.880 -10.694 4.941 1.00 0.00 C ATOM 335 CG1 VAL A 24 -3.070 -9.706 6.080 1.00 0.00 C ATOM 336 CG2 VAL A 24 -3.141 -12.112 5.423 1.00 0.00 C ATOM 0 H VAL A 24 -5.384 -10.725 5.071 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.619 -9.299 3.468 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.847 -10.635 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.414 -9.975 6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.825 -8.701 5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.107 -9.732 6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.481 -12.339 6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.179 -12.202 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.950 -12.813 4.611 1.00 0.00 H new ATOM 346 N GLU A 25 -4.297 -12.233 2.343 1.00 0.00 N ATOM 347 CA GLU A 25 -4.120 -13.174 1.250 1.00 0.00 C ATOM 348 C GLU A 25 -4.655 -12.617 -0.072 1.00 0.00 C ATOM 349 O GLU A 25 -4.309 -13.117 -1.142 1.00 0.00 O ATOM 350 CB GLU A 25 -4.822 -14.485 1.604 1.00 0.00 C ATOM 351 CG GLU A 25 -4.321 -15.095 2.905 1.00 0.00 C ATOM 352 CD GLU A 25 -5.209 -16.207 3.413 1.00 0.00 C ATOM 353 OE1 GLU A 25 -4.977 -17.374 3.049 1.00 0.00 O ATOM 354 OE2 GLU A 25 -6.134 -15.916 4.197 1.00 0.00 O ATOM 0 H GLU A 25 -5.118 -12.416 2.919 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.053 -13.350 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.895 -14.307 1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.676 -15.199 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.313 -15.482 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.253 -14.315 3.664 1.00 0.00 H new ATOM 361 N ASP A 26 -5.498 -11.584 -0.004 1.00 0.00 N ATOM 362 CA ASP A 26 -6.192 -11.097 -1.196 1.00 0.00 C ATOM 363 C ASP A 26 -5.559 -9.828 -1.754 1.00 0.00 C ATOM 364 O ASP A 26 -5.927 -9.377 -2.838 1.00 0.00 O ATOM 365 CB ASP A 26 -7.665 -10.816 -0.898 1.00 0.00 C ATOM 366 CG ASP A 26 -8.525 -10.910 -2.145 1.00 0.00 C ATOM 367 OD1 ASP A 26 -8.840 -12.040 -2.574 1.00 0.00 O ATOM 368 OD2 ASP A 26 -8.886 -9.858 -2.706 1.00 0.00 O ATOM 0 H ASP A 26 -5.714 -11.075 0.853 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.107 -11.888 -1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.026 -11.526 -0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.764 -9.821 -0.464 1.00 0.00 H new ATOM 373 N VAL A 27 -4.630 -9.236 -1.019 1.00 0.00 N ATOM 374 CA VAL A 27 -3.967 -8.029 -1.497 1.00 0.00 C ATOM 375 C VAL A 27 -3.086 -8.347 -2.694 1.00 0.00 C ATOM 376 O VAL A 27 -2.201 -9.199 -2.630 1.00 0.00 O ATOM 377 CB VAL A 27 -3.163 -7.319 -0.387 1.00 0.00 C ATOM 378 CG1 VAL A 27 -2.202 -6.284 -0.965 1.00 0.00 C ATOM 379 CG2 VAL A 27 -4.122 -6.648 0.583 1.00 0.00 C ATOM 0 H VAL A 27 -4.321 -9.563 -0.104 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.745 -7.333 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.569 -8.069 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.653 -5.804 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.499 -6.776 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.766 -5.532 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.555 -6.146 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.727 -5.916 0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.772 -7.400 1.030 1.00 0.00 H new ATOM 389 N LYS A 28 -3.360 -7.652 -3.786 1.00 0.00 N ATOM 390 CA LYS A 28 -2.749 -7.932 -5.070 1.00 0.00 C ATOM 391 C LYS A 28 -2.457 -6.616 -5.763 1.00 0.00 C ATOM 392 O LYS A 28 -2.982 -5.580 -5.366 1.00 0.00 O ATOM 393 CB LYS A 28 -3.714 -8.750 -5.941 1.00 0.00 C ATOM 394 CG LYS A 28 -4.154 -10.068 -5.324 1.00 0.00 C ATOM 395 CD LYS A 28 -5.530 -10.474 -5.828 1.00 0.00 C ATOM 396 CE LYS A 28 -6.012 -11.753 -5.168 1.00 0.00 C ATOM 397 NZ LYS A 28 -7.473 -11.953 -5.350 1.00 0.00 N ATOM 0 H LYS A 28 -4.018 -6.873 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.830 -8.499 -4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.598 -8.147 -6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.236 -8.953 -6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.430 -10.846 -5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.173 -9.977 -4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.241 -9.672 -5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.496 -10.612 -6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.474 -12.603 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.779 -11.722 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.920 -12.110 -4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.886 -11.109 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.637 -12.780 -5.958 1.00 0.00 H new ATOM 411 N LEU A 29 -1.655 -6.653 -6.807 1.00 0.00 N ATOM 412 CA LEU A 29 -1.412 -5.469 -7.611 1.00 0.00 C ATOM 413 C LEU A 29 -2.588 -5.242 -8.548 1.00 0.00 C ATOM 414 O LEU A 29 -2.642 -4.254 -9.277 1.00 0.00 O ATOM 415 CB LEU A 29 -0.104 -5.609 -8.403 1.00 0.00 C ATOM 416 CG LEU A 29 1.177 -5.252 -7.632 1.00 0.00 C ATOM 417 CD1 LEU A 29 1.307 -6.070 -6.355 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.401 -5.450 -8.516 1.00 0.00 C ATOM 0 H LEU A 29 -1.160 -7.488 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.311 -4.606 -6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.021 -6.637 -8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.165 -4.974 -9.287 1.00 0.00 H new ATOM 0 HG LEU A 29 1.112 -4.202 -7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.224 -5.791 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.451 -5.875 -5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.339 -7.131 -6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.300 -5.193 -7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.456 -6.491 -8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.324 -4.807 -9.393 1.00 0.00 H new ATOM 430 N ASP A 30 -3.538 -6.166 -8.497 1.00 0.00 N ATOM 431 CA ASP A 30 -4.665 -6.170 -9.411 1.00 0.00 C ATOM 432 C ASP A 30 -5.874 -5.449 -8.818 1.00 0.00 C ATOM 433 O ASP A 30 -6.768 -5.033 -9.554 1.00 0.00 O ATOM 434 CB ASP A 30 -5.074 -7.612 -9.754 1.00 0.00 C ATOM 435 CG ASP A 30 -3.907 -8.504 -10.138 1.00 0.00 C ATOM 436 OD1 ASP A 30 -3.157 -8.924 -9.233 1.00 0.00 O ATOM 437 OD2 ASP A 30 -3.743 -8.805 -11.338 1.00 0.00 O ATOM 0 H ASP A 30 -3.547 -6.930 -7.822 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.347 -5.645 -10.312 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.586 -8.048 -8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.789 -7.591 -10.576 1.00 0.00 H new ATOM 442 N LYS A 31 -5.924 -5.293 -7.499 1.00 0.00 N ATOM 443 CA LYS A 31 -7.123 -4.753 -6.887 1.00 0.00 C ATOM 444 C LYS A 31 -6.954 -3.268 -6.572 1.00 0.00 C ATOM 445 O LYS A 31 -5.864 -2.805 -6.233 1.00 0.00 O ATOM 446 CB LYS A 31 -7.518 -5.578 -5.658 1.00 0.00 C ATOM 447 CG LYS A 31 -6.825 -5.215 -4.362 1.00 0.00 C ATOM 448 CD LYS A 31 -6.822 -6.379 -3.393 1.00 0.00 C ATOM 449 CE LYS A 31 -8.226 -6.745 -2.921 1.00 0.00 C ATOM 450 NZ LYS A 31 -9.019 -7.494 -3.936 1.00 0.00 N ATOM 0 H LYS A 31 -5.170 -5.526 -6.853 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.946 -4.827 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.594 -5.481 -5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.319 -6.628 -5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.799 -4.909 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.326 -4.361 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.365 -7.245 -3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.205 -6.129 -2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.151 -7.346 -2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.760 -5.833 -2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.773 -6.882 -4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.396 -7.789 -4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.443 -8.335 -3.494 1.00 0.00 H new ATOM 464 N SER A 32 -8.037 -2.531 -6.714 1.00 0.00 N ATOM 465 CA SER A 32 -8.011 -1.084 -6.610 1.00 0.00 C ATOM 466 C SER A 32 -8.186 -0.634 -5.161 1.00 0.00 C ATOM 467 O SER A 32 -9.054 -1.133 -4.452 1.00 0.00 O ATOM 468 CB SER A 32 -9.119 -0.497 -7.494 1.00 0.00 C ATOM 469 OG SER A 32 -9.301 0.885 -7.255 1.00 0.00 O ATOM 0 H SER A 32 -8.961 -2.918 -6.905 1.00 0.00 H new ATOM 0 HA SER A 32 -7.042 -0.721 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.870 -0.655 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.054 -1.025 -7.305 1.00 0.00 H new ATOM 0 HG SER A 32 -8.430 1.308 -7.104 1.00 0.00 H new ATOM 475 N PHE A 33 -7.351 0.308 -4.730 1.00 0.00 N ATOM 476 CA PHE A 33 -7.459 0.887 -3.397 1.00 0.00 C ATOM 477 C PHE A 33 -8.829 1.519 -3.207 1.00 0.00 C ATOM 478 O PHE A 33 -9.470 1.360 -2.170 1.00 0.00 O ATOM 479 CB PHE A 33 -6.382 1.955 -3.200 1.00 0.00 C ATOM 480 CG PHE A 33 -5.238 1.529 -2.323 1.00 0.00 C ATOM 481 CD1 PHE A 33 -5.474 0.924 -1.099 1.00 0.00 C ATOM 482 CD2 PHE A 33 -3.926 1.750 -2.714 1.00 0.00 C ATOM 483 CE1 PHE A 33 -4.424 0.550 -0.282 1.00 0.00 C ATOM 484 CE2 PHE A 33 -2.874 1.376 -1.900 1.00 0.00 C ATOM 485 CZ PHE A 33 -3.123 0.773 -0.684 1.00 0.00 C ATOM 0 H PHE A 33 -6.588 0.688 -5.290 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.323 0.092 -2.664 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.989 2.241 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.843 2.843 -2.769 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.490 0.743 -0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.724 2.220 -3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.622 0.083 0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.857 1.556 -2.215 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.302 0.476 -0.049 1.00 0.00 H new ATOM 495 N THR A 34 -9.274 2.218 -4.233 1.00 0.00 N ATOM 496 CA THR A 34 -10.518 2.953 -4.174 1.00 0.00 C ATOM 497 C THR A 34 -11.728 2.032 -4.364 1.00 0.00 C ATOM 498 O THR A 34 -12.791 2.266 -3.794 1.00 0.00 O ATOM 499 CB THR A 34 -10.523 4.073 -5.237 1.00 0.00 C ATOM 500 OG1 THR A 34 -10.269 3.525 -6.539 1.00 0.00 O ATOM 501 CG2 THR A 34 -9.461 5.123 -4.928 1.00 0.00 C ATOM 0 H THR A 34 -8.785 2.291 -5.125 1.00 0.00 H new ATOM 0 HA THR A 34 -10.596 3.399 -3.183 1.00 0.00 H new ATOM 0 HB THR A 34 -11.506 4.543 -5.219 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.100 2.563 -6.462 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.485 5.901 -5.691 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.660 5.566 -3.952 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.477 4.654 -4.919 1.00 0.00 H new ATOM 509 N ASP A 35 -11.555 0.986 -5.162 1.00 0.00 N ATOM 510 CA ASP A 35 -12.658 0.085 -5.493 1.00 0.00 C ATOM 511 C ASP A 35 -12.722 -1.108 -4.541 1.00 0.00 C ATOM 512 O ASP A 35 -13.738 -1.349 -3.895 1.00 0.00 O ATOM 513 CB ASP A 35 -12.512 -0.413 -6.929 1.00 0.00 C ATOM 514 CG ASP A 35 -13.679 -1.271 -7.382 1.00 0.00 C ATOM 515 OD1 ASP A 35 -13.643 -2.497 -7.167 1.00 0.00 O ATOM 516 OD2 ASP A 35 -14.624 -0.722 -7.982 1.00 0.00 O ATOM 0 H ASP A 35 -10.664 0.739 -5.593 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.585 0.648 -5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.418 0.443 -7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.590 -0.988 -7.016 1.00 0.00 H new ATOM 521 N ASP A 36 -11.619 -1.845 -4.461 1.00 0.00 N ATOM 522 CA ASP A 36 -11.581 -3.115 -3.740 1.00 0.00 C ATOM 523 C ASP A 36 -11.222 -2.930 -2.270 1.00 0.00 C ATOM 524 O ASP A 36 -11.779 -3.596 -1.398 1.00 0.00 O ATOM 525 CB ASP A 36 -10.555 -4.063 -4.373 1.00 0.00 C ATOM 526 CG ASP A 36 -10.894 -4.471 -5.794 1.00 0.00 C ATOM 527 OD1 ASP A 36 -11.672 -5.431 -5.968 1.00 0.00 O ATOM 528 OD2 ASP A 36 -10.343 -3.866 -6.739 1.00 0.00 O ATOM 0 H ASP A 36 -10.732 -1.583 -4.890 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.583 -3.540 -3.806 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.577 -3.582 -4.367 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.473 -4.959 -3.757 1.00 0.00 H new ATOM 533 N LEU A 37 -10.275 -2.039 -1.999 1.00 0.00 N ATOM 534 CA LEU A 37 -9.756 -1.860 -0.644 1.00 0.00 C ATOM 535 C LEU A 37 -10.710 -1.035 0.217 1.00 0.00 C ATOM 536 O LEU A 37 -10.451 -0.856 1.402 1.00 0.00 O ATOM 537 CB LEU A 37 -8.365 -1.192 -0.649 1.00 0.00 C ATOM 538 CG LEU A 37 -7.161 -2.063 -1.071 1.00 0.00 C ATOM 539 CD1 LEU A 37 -6.967 -3.235 -0.137 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.314 -2.573 -2.486 1.00 0.00 C ATOM 0 H LEU A 37 -9.850 -1.429 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.664 -2.858 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.407 -0.330 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.170 -0.811 0.354 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.282 -1.421 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.111 -3.825 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.789 -2.869 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.861 -3.858 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.449 -3.182 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.218 -3.177 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.385 -1.728 -3.171 1.00 0.00 H new ATOM 552 N ASP A 38 -11.802 -0.541 -0.383 1.00 0.00 N ATOM 553 CA ASP A 38 -12.778 0.309 0.327 1.00 0.00 C ATOM 554 C ASP A 38 -12.083 1.482 1.006 1.00 0.00 C ATOM 555 O ASP A 38 -12.450 1.886 2.111 1.00 0.00 O ATOM 556 CB ASP A 38 -13.559 -0.488 1.382 1.00 0.00 C ATOM 557 CG ASP A 38 -14.579 -1.435 0.787 1.00 0.00 C ATOM 558 OD1 ASP A 38 -15.472 -0.969 0.051 1.00 0.00 O ATOM 559 OD2 ASP A 38 -14.516 -2.646 1.088 1.00 0.00 O ATOM 0 H ASP A 38 -12.035 -0.714 -1.361 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.477 0.682 -0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -12.856 -1.058 1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -14.067 0.208 2.050 1.00 0.00 H new ATOM 564 N VAL A 39 -11.094 2.042 0.334 1.00 0.00 N ATOM 565 CA VAL A 39 -10.233 3.032 0.950 1.00 0.00 C ATOM 566 C VAL A 39 -10.496 4.443 0.398 1.00 0.00 C ATOM 567 O VAL A 39 -10.765 4.621 -0.794 1.00 0.00 O ATOM 568 CB VAL A 39 -8.746 2.626 0.766 1.00 0.00 C ATOM 569 CG1 VAL A 39 -8.019 3.543 -0.199 1.00 0.00 C ATOM 570 CG2 VAL A 39 -8.038 2.575 2.108 1.00 0.00 C ATOM 0 H VAL A 39 -10.868 1.828 -0.637 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.461 3.064 2.015 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.731 1.628 0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.982 3.221 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.504 3.503 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.047 4.565 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.997 2.289 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.081 3.557 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.528 1.843 2.750 1.00 0.00 H new ATOM 580 N ASP A 40 -10.451 5.433 1.287 1.00 0.00 N ATOM 581 CA ASP A 40 -10.534 6.841 0.892 1.00 0.00 C ATOM 582 C ASP A 40 -9.149 7.418 0.753 1.00 0.00 C ATOM 583 O ASP A 40 -8.202 6.863 1.298 1.00 0.00 O ATOM 584 CB ASP A 40 -11.271 7.682 1.935 1.00 0.00 C ATOM 585 CG ASP A 40 -12.731 7.321 2.103 1.00 0.00 C ATOM 586 OD1 ASP A 40 -13.567 7.846 1.337 1.00 0.00 O ATOM 587 OD2 ASP A 40 -13.052 6.546 3.024 1.00 0.00 O ATOM 0 H ASP A 40 -10.357 5.286 2.292 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.077 6.872 -0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.768 7.572 2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.198 8.733 1.656 1.00 0.00 H new ATOM 592 N SER A 41 -9.049 8.553 0.062 1.00 0.00 N ATOM 593 CA SER A 41 -7.778 9.246 -0.118 1.00 0.00 C ATOM 594 C SER A 41 -7.059 9.440 1.223 1.00 0.00 C ATOM 595 O SER A 41 -5.849 9.244 1.324 1.00 0.00 O ATOM 596 CB SER A 41 -8.014 10.599 -0.790 1.00 0.00 C ATOM 597 OG SER A 41 -8.781 10.446 -1.976 1.00 0.00 O ATOM 0 H SER A 41 -9.842 9.014 -0.385 1.00 0.00 H new ATOM 0 HA SER A 41 -7.141 8.633 -0.756 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.531 11.267 -0.101 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.057 11.064 -1.028 1.00 0.00 H new ATOM 0 HG SER A 41 -8.922 11.323 -2.390 1.00 0.00 H new ATOM 603 N LEU A 42 -7.814 9.801 2.254 1.00 0.00 N ATOM 604 CA LEU A 42 -7.247 9.945 3.585 1.00 0.00 C ATOM 605 C LEU A 42 -6.881 8.581 4.162 1.00 0.00 C ATOM 606 O LEU A 42 -5.744 8.361 4.564 1.00 0.00 O ATOM 607 CB LEU A 42 -8.219 10.674 4.518 1.00 0.00 C ATOM 608 CG LEU A 42 -7.841 10.640 6.003 1.00 0.00 C ATOM 609 CD1 LEU A 42 -6.415 11.127 6.212 1.00 0.00 C ATOM 610 CD2 LEU A 42 -8.814 11.475 6.817 1.00 0.00 C ATOM 0 H LEU A 42 -8.813 9.998 2.193 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.340 10.543 3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.292 11.714 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.210 10.235 4.401 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.899 9.607 6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.171 11.093 7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.727 10.486 5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.324 12.151 5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.531 11.440 7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.788 12.507 6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.822 11.077 6.699 1.00 0.00 H new ATOM 622 N SER A 43 -7.845 7.667 4.171 1.00 0.00 N ATOM 623 CA SER A 43 -7.654 6.342 4.746 1.00 0.00 C ATOM 624 C SER A 43 -6.397 5.667 4.195 1.00 0.00 C ATOM 625 O SER A 43 -5.566 5.165 4.961 1.00 0.00 O ATOM 626 CB SER A 43 -8.884 5.489 4.457 1.00 0.00 C ATOM 627 OG SER A 43 -10.061 6.147 4.887 1.00 0.00 O ATOM 0 H SER A 43 -8.775 7.823 3.782 1.00 0.00 H new ATOM 0 HA SER A 43 -7.522 6.446 5.823 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.947 5.282 3.389 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.793 4.528 4.963 1.00 0.00 H new ATOM 0 HG SER A 43 -10.840 5.585 4.692 1.00 0.00 H new ATOM 633 N MET A 44 -6.250 5.678 2.870 1.00 0.00 N ATOM 634 CA MET A 44 -5.075 5.096 2.234 1.00 0.00 C ATOM 635 C MET A 44 -3.809 5.795 2.699 1.00 0.00 C ATOM 636 O MET A 44 -2.928 5.164 3.259 1.00 0.00 O ATOM 637 CB MET A 44 -5.182 5.117 0.697 1.00 0.00 C ATOM 638 CG MET A 44 -5.691 6.425 0.109 1.00 0.00 C ATOM 639 SD MET A 44 -6.345 6.252 -1.566 1.00 0.00 S ATOM 640 CE MET A 44 -5.045 5.312 -2.355 1.00 0.00 C ATOM 0 H MET A 44 -6.927 6.082 2.222 1.00 0.00 H new ATOM 0 HA MET A 44 -5.024 4.051 2.539 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.200 4.904 0.276 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.845 4.311 0.382 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.471 6.826 0.756 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.879 7.152 0.101 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.028 5.538 -3.421 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.085 5.577 -1.913 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.228 4.247 -2.213 1.00 0.00 H new ATOM 650 N VAL A 45 -3.734 7.098 2.523 1.00 0.00 N ATOM 651 CA VAL A 45 -2.530 7.827 2.887 1.00 0.00 C ATOM 652 C VAL A 45 -2.233 7.707 4.387 1.00 0.00 C ATOM 653 O VAL A 45 -1.090 7.788 4.804 1.00 0.00 O ATOM 654 CB VAL A 45 -2.633 9.311 2.470 1.00 0.00 C ATOM 655 CG1 VAL A 45 -1.417 10.104 2.923 1.00 0.00 C ATOM 656 CG2 VAL A 45 -2.789 9.410 0.963 1.00 0.00 C ATOM 0 H VAL A 45 -4.482 7.672 2.134 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.699 7.376 2.345 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.509 9.740 2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.524 11.143 2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.335 10.056 4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.519 9.681 2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.861 10.458 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.924 8.958 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.694 8.885 0.656 1.00 0.00 H new ATOM 666 N GLU A 46 -3.247 7.449 5.193 1.00 0.00 N ATOM 667 CA GLU A 46 -3.049 7.405 6.629 1.00 0.00 C ATOM 668 C GLU A 46 -2.293 6.139 7.048 1.00 0.00 C ATOM 669 O GLU A 46 -1.135 6.205 7.483 1.00 0.00 O ATOM 670 CB GLU A 46 -4.401 7.479 7.341 1.00 0.00 C ATOM 671 CG GLU A 46 -4.293 7.679 8.841 1.00 0.00 C ATOM 672 CD GLU A 46 -3.637 8.995 9.203 1.00 0.00 C ATOM 673 OE1 GLU A 46 -4.311 10.039 9.114 1.00 0.00 O ATOM 674 OE2 GLU A 46 -2.443 8.994 9.566 1.00 0.00 O ATOM 0 H GLU A 46 -4.202 7.269 4.883 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.443 8.264 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.981 8.298 6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.955 6.561 7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.289 7.639 9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.719 6.859 9.274 1.00 0.00 H new ATOM 681 N VAL A 47 -2.901 4.974 6.859 1.00 0.00 N ATOM 682 CA VAL A 47 -2.293 3.761 7.355 1.00 0.00 C ATOM 683 C VAL A 47 -1.336 3.174 6.319 1.00 0.00 C ATOM 684 O VAL A 47 -0.437 2.418 6.663 1.00 0.00 O ATOM 685 CB VAL A 47 -3.356 2.724 7.781 1.00 0.00 C ATOM 686 CG1 VAL A 47 -2.724 1.587 8.568 1.00 0.00 C ATOM 687 CG2 VAL A 47 -4.439 3.396 8.613 1.00 0.00 C ATOM 0 H VAL A 47 -3.792 4.851 6.378 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.718 4.018 8.244 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.804 2.307 6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.494 0.871 8.856 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.977 1.088 7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.247 1.985 9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.183 2.656 8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.992 3.837 9.504 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.918 4.177 8.023 1.00 0.00 H new ATOM 697 N VAL A 48 -1.496 3.550 5.051 1.00 0.00 N ATOM 698 CA VAL A 48 -0.588 3.062 4.015 1.00 0.00 C ATOM 699 C VAL A 48 0.718 3.867 4.041 1.00 0.00 C ATOM 700 O VAL A 48 1.746 3.404 3.556 1.00 0.00 O ATOM 701 CB VAL A 48 -1.235 3.062 2.600 1.00 0.00 C ATOM 702 CG1 VAL A 48 -0.321 2.443 1.553 1.00 0.00 C ATOM 703 CG2 VAL A 48 -2.553 2.309 2.628 1.00 0.00 C ATOM 0 H VAL A 48 -2.229 4.177 4.721 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.362 2.019 4.238 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.406 4.102 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.814 2.465 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.609 3.010 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.102 1.411 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.997 2.315 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.377 1.280 2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.232 2.791 3.331 1.00 0.00 H new ATOM 713 N VAL A 49 0.686 5.059 4.641 1.00 0.00 N ATOM 714 CA VAL A 49 1.922 5.754 4.991 1.00 0.00 C ATOM 715 C VAL A 49 2.551 5.058 6.196 1.00 0.00 C ATOM 716 O VAL A 49 3.771 4.937 6.308 1.00 0.00 O ATOM 717 CB VAL A 49 1.694 7.262 5.279 1.00 0.00 C ATOM 718 CG1 VAL A 49 2.770 7.837 6.192 1.00 0.00 C ATOM 719 CG2 VAL A 49 1.657 8.039 3.971 1.00 0.00 C ATOM 0 H VAL A 49 -0.169 5.555 4.891 1.00 0.00 H new ATOM 0 HA VAL A 49 2.598 5.708 4.137 1.00 0.00 H new ATOM 0 HB VAL A 49 0.738 7.359 5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.572 8.894 6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.763 7.304 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.746 7.724 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.497 9.097 4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.604 7.913 3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.844 7.665 3.349 1.00 0.00 H new ATOM 729 N ALA A 50 1.708 4.554 7.085 1.00 0.00 N ATOM 730 CA ALA A 50 2.192 3.677 8.144 1.00 0.00 C ATOM 731 C ALA A 50 2.785 2.401 7.533 1.00 0.00 C ATOM 732 O ALA A 50 3.608 1.728 8.149 1.00 0.00 O ATOM 733 CB ALA A 50 1.076 3.349 9.127 1.00 0.00 C ATOM 0 H ALA A 50 0.704 4.732 7.097 1.00 0.00 H new ATOM 0 HA ALA A 50 2.976 4.192 8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.460 2.693 9.908 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.705 4.270 9.576 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.263 2.848 8.601 1.00 0.00 H new ATOM 739 N ALA A 51 2.374 2.097 6.300 1.00 0.00 N ATOM 740 CA ALA A 51 2.861 0.925 5.584 1.00 0.00 C ATOM 741 C ALA A 51 4.176 1.208 4.877 1.00 0.00 C ATOM 742 O ALA A 51 5.023 0.327 4.774 1.00 0.00 O ATOM 743 CB ALA A 51 1.837 0.444 4.568 1.00 0.00 C ATOM 0 H ALA A 51 1.699 2.654 5.776 1.00 0.00 H new ATOM 0 HA ALA A 51 3.026 0.145 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.225 -0.432 4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.912 0.181 5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.640 1.237 3.847 1.00 0.00 H new ATOM 749 N GLU A 52 4.355 2.427 4.385 1.00 0.00 N ATOM 750 CA GLU A 52 5.571 2.749 3.665 1.00 0.00 C ATOM 751 C GLU A 52 6.754 2.750 4.633 1.00 0.00 C ATOM 752 O GLU A 52 7.763 2.074 4.416 1.00 0.00 O ATOM 753 CB GLU A 52 5.464 4.095 2.926 1.00 0.00 C ATOM 754 CG GLU A 52 5.218 5.291 3.825 1.00 0.00 C ATOM 755 CD GLU A 52 5.437 6.613 3.123 1.00 0.00 C ATOM 756 OE1 GLU A 52 6.598 6.937 2.808 1.00 0.00 O ATOM 757 OE2 GLU A 52 4.450 7.335 2.887 1.00 0.00 O ATOM 0 H GLU A 52 3.686 3.192 4.470 1.00 0.00 H new ATOM 0 HA GLU A 52 5.729 1.985 2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.384 4.261 2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.655 4.032 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.196 5.251 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.879 5.231 4.689 1.00 0.00 H new ATOM 764 N GLU A 53 6.595 3.453 5.740 1.00 0.00 N ATOM 765 CA GLU A 53 7.687 3.660 6.670 1.00 0.00 C ATOM 766 C GLU A 53 8.113 2.368 7.368 1.00 0.00 C ATOM 767 O GLU A 53 9.260 2.250 7.805 1.00 0.00 O ATOM 768 CB GLU A 53 7.299 4.690 7.711 1.00 0.00 C ATOM 769 CG GLU A 53 6.801 6.004 7.138 1.00 0.00 C ATOM 770 CD GLU A 53 6.564 7.037 8.219 1.00 0.00 C ATOM 771 OE1 GLU A 53 5.632 6.853 9.033 1.00 0.00 O ATOM 772 OE2 GLU A 53 7.329 8.018 8.289 1.00 0.00 O ATOM 0 H GLU A 53 5.716 3.891 6.016 1.00 0.00 H new ATOM 0 HA GLU A 53 8.536 4.018 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.523 4.269 8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.162 4.889 8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.529 6.387 6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.875 5.833 6.590 1.00 0.00 H new ATOM 779 N ARG A 54 7.207 1.401 7.474 1.00 0.00 N ATOM 780 CA ARG A 54 7.535 0.141 8.139 1.00 0.00 C ATOM 781 C ARG A 54 8.474 -0.692 7.277 1.00 0.00 C ATOM 782 O ARG A 54 9.111 -1.626 7.755 1.00 0.00 O ATOM 783 CB ARG A 54 6.274 -0.658 8.488 1.00 0.00 C ATOM 784 CG ARG A 54 5.484 -1.140 7.283 1.00 0.00 C ATOM 785 CD ARG A 54 4.280 -1.972 7.697 1.00 0.00 C ATOM 786 NE ARG A 54 4.665 -3.202 8.388 1.00 0.00 N ATOM 787 CZ ARG A 54 3.799 -4.045 8.963 1.00 0.00 C ATOM 788 NH1 ARG A 54 2.496 -3.791 8.948 1.00 0.00 N ATOM 789 NH2 ARG A 54 4.234 -5.153 9.544 1.00 0.00 N ATOM 0 H ARG A 54 6.254 1.461 7.115 1.00 0.00 H new ATOM 0 HA ARG A 54 8.042 0.384 9.073 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.560 -1.521 9.089 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.626 -0.039 9.108 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.150 -0.282 6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.131 -1.733 6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.638 -1.378 8.348 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.694 -2.223 6.813 1.00 0.00 H new ATOM 0 HE ARG A 54 5.658 -3.432 8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.146 -2.947 8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.845 -4.440 9.389 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.232 -5.366 9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.571 -5.793 9.981 1.00 0.00 H new ATOM 803 N PHE A 55 8.557 -0.344 6.002 1.00 0.00 N ATOM 804 CA PHE A 55 9.508 -0.970 5.103 1.00 0.00 C ATOM 805 C PHE A 55 10.637 0.005 4.808 1.00 0.00 C ATOM 806 O PHE A 55 11.395 -0.166 3.856 1.00 0.00 O ATOM 807 CB PHE A 55 8.814 -1.419 3.818 1.00 0.00 C ATOM 808 CG PHE A 55 7.782 -2.487 4.047 1.00 0.00 C ATOM 809 CD1 PHE A 55 8.168 -3.782 4.348 1.00 0.00 C ATOM 810 CD2 PHE A 55 6.432 -2.198 3.972 1.00 0.00 C ATOM 811 CE1 PHE A 55 7.226 -4.769 4.568 1.00 0.00 C ATOM 812 CE2 PHE A 55 5.484 -3.178 4.190 1.00 0.00 C ATOM 813 CZ PHE A 55 5.882 -4.465 4.489 1.00 0.00 C ATOM 0 H PHE A 55 7.974 0.371 5.568 1.00 0.00 H new ATOM 0 HA PHE A 55 9.927 -1.858 5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.339 -0.558 3.349 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.563 -1.790 3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.219 -4.024 4.412 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.115 -1.192 3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.541 -5.775 4.801 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.433 -2.938 4.127 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.143 -5.233 4.661 1.00 0.00 H new ATOM 823 N ASP A 56 10.707 1.038 5.647 1.00 0.00 N ATOM 824 CA ASP A 56 11.787 2.030 5.628 1.00 0.00 C ATOM 825 C ASP A 56 11.840 2.787 4.304 1.00 0.00 C ATOM 826 O ASP A 56 12.897 3.233 3.869 1.00 0.00 O ATOM 827 CB ASP A 56 13.137 1.368 5.926 1.00 0.00 C ATOM 828 CG ASP A 56 14.174 2.369 6.394 1.00 0.00 C ATOM 829 OD1 ASP A 56 13.935 3.039 7.423 1.00 0.00 O ATOM 830 OD2 ASP A 56 15.235 2.490 5.748 1.00 0.00 O ATOM 0 H ASP A 56 10.008 1.214 6.369 1.00 0.00 H new ATOM 0 HA ASP A 56 11.574 2.757 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.003 0.602 6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.499 0.865 5.029 1.00 0.00 H new ATOM 835 N VAL A 57 10.686 3.000 3.700 1.00 0.00 N ATOM 836 CA VAL A 57 10.623 3.716 2.436 1.00 0.00 C ATOM 837 C VAL A 57 9.943 5.057 2.654 1.00 0.00 C ATOM 838 O VAL A 57 9.281 5.265 3.671 1.00 0.00 O ATOM 839 CB VAL A 57 9.854 2.914 1.363 1.00 0.00 C ATOM 840 CG1 VAL A 57 8.387 2.860 1.716 1.00 0.00 C ATOM 841 CG2 VAL A 57 10.037 3.518 -0.020 1.00 0.00 C ATOM 0 H VAL A 57 9.783 2.690 4.060 1.00 0.00 H new ATOM 0 HA VAL A 57 11.642 3.862 2.077 1.00 0.00 H new ATOM 0 HB VAL A 57 10.260 1.903 1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.850 2.293 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.263 2.375 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.987 3.873 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.483 2.929 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.664 4.542 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.095 3.516 -0.281 1.00 0.00 H new ATOM 851 N LYS A 58 10.143 5.967 1.718 1.00 0.00 N ATOM 852 CA LYS A 58 9.630 7.314 1.841 1.00 0.00 C ATOM 853 C LYS A 58 8.991 7.740 0.521 1.00 0.00 C ATOM 854 O LYS A 58 9.689 7.926 -0.479 1.00 0.00 O ATOM 855 CB LYS A 58 10.792 8.250 2.201 1.00 0.00 C ATOM 856 CG LYS A 58 11.679 7.700 3.313 1.00 0.00 C ATOM 857 CD LYS A 58 13.132 8.116 3.140 1.00 0.00 C ATOM 858 CE LYS A 58 14.049 7.376 4.114 1.00 0.00 C ATOM 859 NZ LYS A 58 14.070 5.898 3.878 1.00 0.00 N ATOM 0 H LYS A 58 10.662 5.792 0.858 1.00 0.00 H new ATOM 0 HA LYS A 58 8.872 7.360 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.399 8.425 1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.391 9.216 2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.313 8.053 4.277 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.612 6.612 3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.449 7.915 2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.225 9.191 3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.062 7.769 4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.722 7.572 5.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.889 5.480 4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.195 5.475 4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.141 5.710 2.858 1.00 0.00 H new ATOM 873 N ILE A 59 7.672 7.879 0.512 1.00 0.00 N ATOM 874 CA ILE A 59 6.958 8.310 -0.685 1.00 0.00 C ATOM 875 C ILE A 59 6.175 9.590 -0.404 1.00 0.00 C ATOM 876 O ILE A 59 5.955 9.947 0.754 1.00 0.00 O ATOM 877 CB ILE A 59 5.986 7.224 -1.221 1.00 0.00 C ATOM 878 CG1 ILE A 59 4.872 6.942 -0.216 1.00 0.00 C ATOM 879 CG2 ILE A 59 6.723 5.934 -1.552 1.00 0.00 C ATOM 880 CD1 ILE A 59 3.913 5.865 -0.676 1.00 0.00 C ATOM 0 H ILE A 59 7.074 7.700 1.319 1.00 0.00 H new ATOM 0 HA ILE A 59 7.712 8.492 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 59 5.542 7.612 -2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.315 6.643 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.315 7.861 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.014 5.195 -1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.476 6.131 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.208 5.551 -0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.146 5.713 0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.443 6.171 -1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.459 4.934 -0.832 1.00 0.00 H new ATOM 892 N PRO A 60 5.793 10.329 -1.456 1.00 0.00 N ATOM 893 CA PRO A 60 4.950 11.520 -1.321 1.00 0.00 C ATOM 894 C PRO A 60 3.548 11.166 -0.836 1.00 0.00 C ATOM 895 O PRO A 60 2.958 10.188 -1.295 1.00 0.00 O ATOM 896 CB PRO A 60 4.891 12.091 -2.745 1.00 0.00 C ATOM 897 CG PRO A 60 6.022 11.443 -3.471 1.00 0.00 C ATOM 898 CD PRO A 60 6.167 10.084 -2.856 1.00 0.00 C ATOM 0 HA PRO A 60 5.349 12.222 -0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.937 11.866 -3.221 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.996 13.176 -2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.813 11.370 -4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.940 12.022 -3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.512 9.352 -3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.185 9.705 -2.944 1.00 0.00 H new ATOM 906 N ASP A 61 3.019 11.966 0.084 1.00 0.00 N ATOM 907 CA ASP A 61 1.696 11.708 0.649 1.00 0.00 C ATOM 908 C ASP A 61 0.619 11.734 -0.436 1.00 0.00 C ATOM 909 O ASP A 61 -0.231 10.845 -0.500 1.00 0.00 O ATOM 910 CB ASP A 61 1.359 12.722 1.760 1.00 0.00 C ATOM 911 CG ASP A 61 1.342 14.164 1.278 1.00 0.00 C ATOM 912 OD1 ASP A 61 2.424 14.781 1.204 1.00 0.00 O ATOM 913 OD2 ASP A 61 0.249 14.691 0.976 1.00 0.00 O ATOM 0 H ASP A 61 3.483 12.796 0.454 1.00 0.00 H new ATOM 0 HA ASP A 61 1.717 10.711 1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.384 12.476 2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.088 12.624 2.564 1.00 0.00 H new ATOM 918 N ASP A 62 0.684 12.726 -1.317 1.00 0.00 N ATOM 919 CA ASP A 62 -0.332 12.899 -2.349 1.00 0.00 C ATOM 920 C ASP A 62 -0.199 11.826 -3.418 1.00 0.00 C ATOM 921 O ASP A 62 -1.126 11.578 -4.183 1.00 0.00 O ATOM 922 CB ASP A 62 -0.231 14.284 -2.984 1.00 0.00 C ATOM 923 CG ASP A 62 -1.524 14.703 -3.653 1.00 0.00 C ATOM 924 OD1 ASP A 62 -2.458 15.106 -2.931 1.00 0.00 O ATOM 925 OD2 ASP A 62 -1.618 14.641 -4.893 1.00 0.00 O ATOM 0 H ASP A 62 1.429 13.422 -1.337 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.309 12.804 -1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.033 15.014 -2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.574 14.287 -3.719 1.00 0.00 H new ATOM 930 N ASP A 63 0.961 11.188 -3.471 1.00 0.00 N ATOM 931 CA ASP A 63 1.195 10.128 -4.441 1.00 0.00 C ATOM 932 C ASP A 63 0.312 8.928 -4.120 1.00 0.00 C ATOM 933 O ASP A 63 -0.299 8.344 -5.014 1.00 0.00 O ATOM 934 CB ASP A 63 2.670 9.709 -4.453 1.00 0.00 C ATOM 935 CG ASP A 63 3.071 8.996 -5.733 1.00 0.00 C ATOM 936 OD1 ASP A 63 2.728 7.809 -5.900 1.00 0.00 O ATOM 937 OD2 ASP A 63 3.738 9.628 -6.580 1.00 0.00 O ATOM 0 H ASP A 63 1.752 11.384 -2.857 1.00 0.00 H new ATOM 0 HA ASP A 63 0.942 10.507 -5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.295 10.593 -4.324 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.864 9.055 -3.603 1.00 0.00 H new ATOM 942 N VAL A 64 0.207 8.598 -2.827 1.00 0.00 N ATOM 943 CA VAL A 64 -0.579 7.441 -2.391 1.00 0.00 C ATOM 944 C VAL A 64 -2.036 7.580 -2.806 1.00 0.00 C ATOM 945 O VAL A 64 -2.618 6.662 -3.365 1.00 0.00 O ATOM 946 CB VAL A 64 -0.531 7.228 -0.859 1.00 0.00 C ATOM 947 CG1 VAL A 64 -1.248 5.940 -0.475 1.00 0.00 C ATOM 948 CG2 VAL A 64 0.902 7.205 -0.354 1.00 0.00 C ATOM 0 H VAL A 64 0.654 9.114 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.126 6.578 -2.878 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.043 8.067 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.204 5.807 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.290 5.995 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.764 5.095 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.905 7.054 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.445 6.392 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.386 8.153 -0.589 1.00 0.00 H new ATOM 958 N LYS A 65 -2.616 8.743 -2.550 1.00 0.00 N ATOM 959 CA LYS A 65 -4.032 8.970 -2.835 1.00 0.00 C ATOM 960 C LYS A 65 -4.277 9.211 -4.326 1.00 0.00 C ATOM 961 O LYS A 65 -5.417 9.401 -4.759 1.00 0.00 O ATOM 962 CB LYS A 65 -4.556 10.140 -1.988 1.00 0.00 C ATOM 963 CG LYS A 65 -3.694 11.391 -2.053 1.00 0.00 C ATOM 964 CD LYS A 65 -3.910 12.154 -3.347 1.00 0.00 C ATOM 965 CE LYS A 65 -5.116 13.073 -3.260 1.00 0.00 C ATOM 966 NZ LYS A 65 -4.879 14.197 -2.314 1.00 0.00 N ATOM 0 H LYS A 65 -2.132 9.545 -2.146 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.583 8.069 -2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.565 10.390 -2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.631 9.817 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.926 12.037 -1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.643 11.114 -1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.021 12.741 -3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.047 11.449 -4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.344 13.471 -4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.987 12.502 -2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.510 14.989 -2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.071 13.879 -1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.890 14.509 -2.387 1.00 0.00 H new ATOM 980 N ASN A 66 -3.202 9.209 -5.100 1.00 0.00 N ATOM 981 CA ASN A 66 -3.289 9.401 -6.541 1.00 0.00 C ATOM 982 C ASN A 66 -3.402 8.055 -7.249 1.00 0.00 C ATOM 983 O ASN A 66 -4.111 7.918 -8.250 1.00 0.00 O ATOM 984 CB ASN A 66 -2.055 10.151 -7.046 1.00 0.00 C ATOM 985 CG ASN A 66 -2.072 10.381 -8.548 1.00 0.00 C ATOM 986 OD1 ASN A 66 -3.127 10.565 -9.153 1.00 0.00 O ATOM 987 ND2 ASN A 66 -0.897 10.365 -9.160 1.00 0.00 N ATOM 0 H ASN A 66 -2.253 9.076 -4.752 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.179 9.990 -6.760 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.988 11.113 -6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.161 9.587 -6.781 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.845 10.509 -10.169 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.044 10.209 -8.623 1.00 0.00 H new ATOM 994 N LEU A 67 -2.700 7.063 -6.717 1.00 0.00 N ATOM 995 CA LEU A 67 -2.717 5.724 -7.285 1.00 0.00 C ATOM 996 C LEU A 67 -4.027 5.019 -6.966 1.00 0.00 C ATOM 997 O LEU A 67 -4.548 5.112 -5.854 1.00 0.00 O ATOM 998 CB LEU A 67 -1.504 4.918 -6.802 1.00 0.00 C ATOM 999 CG LEU A 67 -1.209 4.984 -5.302 1.00 0.00 C ATOM 1000 CD1 LEU A 67 -1.576 3.679 -4.610 1.00 0.00 C ATOM 1001 CD2 LEU A 67 0.255 5.306 -5.063 1.00 0.00 C ATOM 0 H LEU A 67 -2.110 7.162 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.647 5.805 -8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.654 3.874 -7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.623 5.267 -7.341 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.822 5.779 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.355 3.757 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.639 3.481 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.997 2.863 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.448 5.349 -3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.876 4.531 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.494 6.269 -5.514 1.00 0.00 H new ATOM 1013 N LYS A 68 -4.558 4.320 -7.955 1.00 0.00 N ATOM 1014 CA LYS A 68 -5.898 3.768 -7.854 1.00 0.00 C ATOM 1015 C LYS A 68 -5.889 2.323 -7.376 1.00 0.00 C ATOM 1016 O LYS A 68 -6.899 1.834 -6.884 1.00 0.00 O ATOM 1017 CB LYS A 68 -6.623 3.877 -9.199 1.00 0.00 C ATOM 1018 CG LYS A 68 -6.857 5.311 -9.649 1.00 0.00 C ATOM 1019 CD LYS A 68 -7.623 6.101 -8.599 1.00 0.00 C ATOM 1020 CE LYS A 68 -7.859 7.540 -9.027 1.00 0.00 C ATOM 1021 NZ LYS A 68 -8.759 7.641 -10.208 1.00 0.00 N ATOM 0 H LYS A 68 -4.083 4.122 -8.835 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.434 4.355 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.041 3.357 -9.960 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.583 3.366 -9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.900 5.794 -9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.413 5.314 -10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.581 5.618 -8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.069 6.088 -7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.291 8.097 -8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.903 8.008 -9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.998 8.639 -10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.279 7.252 -11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.630 7.103 -10.028 1.00 0.00 H new ATOM 1035 N THR A 69 -4.765 1.636 -7.517 1.00 0.00 N ATOM 1036 CA THR A 69 -4.677 0.246 -7.088 1.00 0.00 C ATOM 1037 C THR A 69 -3.659 0.120 -5.968 1.00 0.00 C ATOM 1038 O THR A 69 -2.771 0.959 -5.841 1.00 0.00 O ATOM 1039 CB THR A 69 -4.279 -0.697 -8.255 1.00 0.00 C ATOM 1040 OG1 THR A 69 -2.892 -0.538 -8.570 1.00 0.00 O ATOM 1041 CG2 THR A 69 -5.110 -0.399 -9.495 1.00 0.00 C ATOM 0 H THR A 69 -3.908 2.013 -7.921 1.00 0.00 H new ATOM 0 HA THR A 69 -5.664 -0.054 -6.736 1.00 0.00 H new ATOM 0 HB THR A 69 -4.466 -1.723 -7.938 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.774 0.251 -9.139 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.815 -1.071 -10.301 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.166 -0.545 -9.269 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.945 0.633 -9.804 1.00 0.00 H new ATOM 1049 N VAL A 70 -3.781 -0.916 -5.148 1.00 0.00 N ATOM 1050 CA VAL A 70 -2.803 -1.141 -4.094 1.00 0.00 C ATOM 1051 C VAL A 70 -1.456 -1.490 -4.717 1.00 0.00 C ATOM 1052 O VAL A 70 -0.397 -1.163 -4.175 1.00 0.00 O ATOM 1053 CB VAL A 70 -3.268 -2.237 -3.097 1.00 0.00 C ATOM 1054 CG1 VAL A 70 -4.101 -3.284 -3.802 1.00 0.00 C ATOM 1055 CG2 VAL A 70 -2.089 -2.887 -2.383 1.00 0.00 C ATOM 0 H VAL A 70 -4.534 -1.603 -5.191 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.699 -0.223 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.885 -1.749 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.416 -4.042 -3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.980 -2.814 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.508 -3.752 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.455 -3.648 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.429 -3.349 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.538 -2.129 -1.826 1.00 0.00 H new ATOM 1065 N GLY A 71 -1.513 -2.097 -5.896 1.00 0.00 N ATOM 1066 CA GLY A 71 -0.309 -2.484 -6.594 1.00 0.00 C ATOM 1067 C GLY A 71 0.545 -1.292 -6.989 1.00 0.00 C ATOM 1068 O GLY A 71 1.775 -1.371 -6.947 1.00 0.00 O ATOM 0 H GLY A 71 -2.380 -2.328 -6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.275 -3.151 -5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.577 -3.047 -7.488 1.00 0.00 H new ATOM 1072 N ASP A 72 -0.106 -0.186 -7.360 1.00 0.00 N ATOM 1073 CA ASP A 72 0.600 1.030 -7.779 1.00 0.00 C ATOM 1074 C ASP A 72 1.585 1.485 -6.712 1.00 0.00 C ATOM 1075 O ASP A 72 2.786 1.576 -6.966 1.00 0.00 O ATOM 1076 CB ASP A 72 -0.378 2.171 -8.065 1.00 0.00 C ATOM 1077 CG ASP A 72 -1.245 1.938 -9.281 1.00 0.00 C ATOM 1078 OD1 ASP A 72 -0.695 1.758 -10.383 1.00 0.00 O ATOM 1079 OD2 ASP A 72 -2.489 1.953 -9.138 1.00 0.00 O ATOM 0 H ASP A 72 -1.123 -0.107 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 72 1.141 0.783 -8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.019 2.315 -7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.185 3.094 -8.203 1.00 0.00 H new ATOM 1084 N ALA A 73 1.065 1.763 -5.516 1.00 0.00 N ATOM 1085 CA ALA A 73 1.897 2.205 -4.397 1.00 0.00 C ATOM 1086 C ALA A 73 2.999 1.223 -4.134 1.00 0.00 C ATOM 1087 O ALA A 73 4.152 1.594 -3.983 1.00 0.00 O ATOM 1088 CB ALA A 73 1.093 2.336 -3.122 1.00 0.00 C ATOM 0 H ALA A 73 0.071 1.690 -5.297 1.00 0.00 H new ATOM 0 HA ALA A 73 2.304 3.176 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.745 2.666 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.297 3.066 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.657 1.370 -2.866 1.00 0.00 H new ATOM 1094 N THR A 74 2.619 -0.034 -4.075 1.00 0.00 N ATOM 1095 CA THR A 74 3.539 -1.083 -3.728 1.00 0.00 C ATOM 1096 C THR A 74 4.728 -1.102 -4.687 1.00 0.00 C ATOM 1097 O THR A 74 5.873 -1.046 -4.254 1.00 0.00 O ATOM 1098 CB THR A 74 2.831 -2.443 -3.725 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.597 -2.348 -3.002 1.00 0.00 O ATOM 1100 CG2 THR A 74 3.707 -3.479 -3.069 1.00 0.00 C ATOM 0 H THR A 74 1.669 -0.352 -4.266 1.00 0.00 H new ATOM 0 HA THR A 74 3.914 -0.886 -2.723 1.00 0.00 H new ATOM 0 HB THR A 74 2.631 -2.735 -4.756 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.881 -2.075 -3.612 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.196 -4.442 -3.071 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.644 -3.564 -3.619 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.915 -3.181 -2.041 1.00 0.00 H new ATOM 1108 N LYS A 75 4.453 -1.125 -5.988 1.00 0.00 N ATOM 1109 CA LYS A 75 5.514 -1.150 -6.990 1.00 0.00 C ATOM 1110 C LYS A 75 6.308 0.157 -6.949 1.00 0.00 C ATOM 1111 O LYS A 75 7.521 0.170 -7.150 1.00 0.00 O ATOM 1112 CB LYS A 75 4.914 -1.369 -8.382 1.00 0.00 C ATOM 1113 CG LYS A 75 5.737 -2.275 -9.285 1.00 0.00 C ATOM 1114 CD LYS A 75 5.871 -3.672 -8.697 1.00 0.00 C ATOM 1115 CE LYS A 75 6.442 -4.661 -9.703 1.00 0.00 C ATOM 1116 NZ LYS A 75 7.804 -4.280 -10.159 1.00 0.00 N ATOM 0 H LYS A 75 3.508 -1.127 -6.372 1.00 0.00 H new ATOM 0 HA LYS A 75 6.192 -1.974 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.917 -1.795 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.795 -0.401 -8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.268 -2.335 -10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.727 -1.843 -9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.515 -3.635 -7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.894 -4.019 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.476 -5.654 -9.254 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.777 -4.724 -10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.171 -5.009 -10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.761 -3.368 -10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.435 -4.196 -9.336 1.00 0.00 H new ATOM 1130 N TYR A 76 5.610 1.247 -6.667 1.00 0.00 N ATOM 1131 CA TYR A 76 6.231 2.559 -6.525 1.00 0.00 C ATOM 1132 C TYR A 76 7.212 2.556 -5.351 1.00 0.00 C ATOM 1133 O TYR A 76 8.339 3.041 -5.461 1.00 0.00 O ATOM 1134 CB TYR A 76 5.127 3.593 -6.305 1.00 0.00 C ATOM 1135 CG TYR A 76 5.576 5.038 -6.278 1.00 0.00 C ATOM 1136 CD1 TYR A 76 5.746 5.756 -7.456 1.00 0.00 C ATOM 1137 CD2 TYR A 76 5.798 5.695 -5.073 1.00 0.00 C ATOM 1138 CE1 TYR A 76 6.133 7.083 -7.432 1.00 0.00 C ATOM 1139 CE2 TYR A 76 6.178 7.021 -5.043 1.00 0.00 C ATOM 1140 CZ TYR A 76 6.345 7.709 -6.224 1.00 0.00 C ATOM 1141 OH TYR A 76 6.709 9.035 -6.194 1.00 0.00 O ATOM 0 H TYR A 76 4.599 1.249 -6.530 1.00 0.00 H new ATOM 0 HA TYR A 76 6.792 2.808 -7.426 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.384 3.477 -7.094 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.628 3.369 -5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.573 5.270 -8.405 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.671 5.158 -4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 76 6.268 7.626 -8.356 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.344 7.517 -4.098 1.00 0.00 H new ATOM 0 HH TYR A 76 5.915 9.595 -6.320 1.00 0.00 H new ATOM 1151 N ILE A 77 6.762 1.994 -4.233 1.00 0.00 N ATOM 1152 CA ILE A 77 7.591 1.820 -3.046 1.00 0.00 C ATOM 1153 C ILE A 77 8.841 1.011 -3.370 1.00 0.00 C ATOM 1154 O ILE A 77 9.954 1.372 -2.993 1.00 0.00 O ATOM 1155 CB ILE A 77 6.808 1.087 -1.933 1.00 0.00 C ATOM 1156 CG1 ILE A 77 5.695 1.978 -1.372 1.00 0.00 C ATOM 1157 CG2 ILE A 77 7.744 0.633 -0.819 1.00 0.00 C ATOM 1158 CD1 ILE A 77 4.790 1.267 -0.390 1.00 0.00 C ATOM 0 H ILE A 77 5.809 1.646 -4.125 1.00 0.00 H new ATOM 0 HA ILE A 77 7.877 2.814 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 77 6.348 0.202 -2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.144 2.841 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.094 2.359 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.170 0.120 -0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.492 -0.047 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.241 1.501 -0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.026 1.958 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.312 0.420 -0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.379 0.910 0.455 1.00 0.00 H new ATOM 1170 N LEU A 78 8.633 -0.068 -4.100 1.00 0.00 N ATOM 1171 CA LEU A 78 9.664 -1.056 -4.354 1.00 0.00 C ATOM 1172 C LEU A 78 10.820 -0.497 -5.180 1.00 0.00 C ATOM 1173 O LEU A 78 11.926 -1.034 -5.146 1.00 0.00 O ATOM 1174 CB LEU A 78 9.033 -2.255 -5.050 1.00 0.00 C ATOM 1175 CG LEU A 78 7.952 -2.959 -4.227 1.00 0.00 C ATOM 1176 CD1 LEU A 78 7.319 -4.082 -5.029 1.00 0.00 C ATOM 1177 CD2 LEU A 78 8.560 -3.500 -2.946 1.00 0.00 C ATOM 0 H LEU A 78 7.737 -0.285 -4.537 1.00 0.00 H new ATOM 0 HA LEU A 78 10.092 -1.358 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.599 -1.926 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.816 -2.974 -5.292 1.00 0.00 H new ATOM 0 HG LEU A 78 7.172 -2.240 -3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.553 -4.571 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.866 -3.673 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 78 8.084 -4.809 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.789 -4.001 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.350 -4.211 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.978 -2.677 -2.366 1.00 0.00 H new ATOM 1189 N ASP A 79 10.572 0.579 -5.914 1.00 0.00 N ATOM 1190 CA ASP A 79 11.619 1.199 -6.722 1.00 0.00 C ATOM 1191 C ASP A 79 12.441 2.192 -5.895 1.00 0.00 C ATOM 1192 O ASP A 79 13.593 2.481 -6.216 1.00 0.00 O ATOM 1193 CB ASP A 79 11.009 1.898 -7.943 1.00 0.00 C ATOM 1194 CG ASP A 79 12.045 2.607 -8.799 1.00 0.00 C ATOM 1195 OD1 ASP A 79 12.861 1.923 -9.451 1.00 0.00 O ATOM 1196 OD2 ASP A 79 12.056 3.852 -8.816 1.00 0.00 O ATOM 0 H ASP A 79 9.663 1.039 -5.968 1.00 0.00 H new ATOM 0 HA ASP A 79 12.289 0.411 -7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.484 1.162 -8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.266 2.622 -7.607 1.00 0.00 H new ATOM 1201 N HIS A 80 11.853 2.687 -4.813 1.00 0.00 N ATOM 1202 CA HIS A 80 12.490 3.724 -3.995 1.00 0.00 C ATOM 1203 C HIS A 80 12.637 3.278 -2.545 1.00 0.00 C ATOM 1204 O HIS A 80 12.683 4.110 -1.638 1.00 0.00 O ATOM 1205 CB HIS A 80 11.659 5.007 -4.031 1.00 0.00 C ATOM 1206 CG HIS A 80 11.699 5.731 -5.340 1.00 0.00 C ATOM 1207 ND1 HIS A 80 12.603 6.734 -5.627 1.00 0.00 N ATOM 1208 CD2 HIS A 80 10.929 5.596 -6.444 1.00 0.00 C ATOM 1209 CE1 HIS A 80 12.380 7.185 -6.847 1.00 0.00 C ATOM 1210 NE2 HIS A 80 11.374 6.509 -7.363 1.00 0.00 N ATOM 0 H HIS A 80 10.936 2.390 -4.478 1.00 0.00 H new ATOM 0 HA HIS A 80 13.481 3.905 -4.411 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.623 4.762 -3.797 1.00 0.00 H new ATOM 0 HB3 HIS A 80 12.013 5.677 -3.248 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.115 4.898 -6.576 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.929 7.974 -7.339 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.988 6.644 -8.298 1.00 0.00 H new ATOM 1219 N GLN A 81 12.741 1.976 -2.333 1.00 0.00 N ATOM 1220 CA GLN A 81 12.711 1.416 -0.989 1.00 0.00 C ATOM 1221 C GLN A 81 14.018 1.658 -0.233 1.00 0.00 C ATOM 1222 O GLN A 81 15.092 1.709 -0.834 1.00 0.00 O ATOM 1223 CB GLN A 81 12.382 -0.077 -1.055 1.00 0.00 C ATOM 1224 CG GLN A 81 13.453 -0.932 -1.719 1.00 0.00 C ATOM 1225 CD GLN A 81 13.020 -2.377 -1.896 1.00 0.00 C ATOM 1226 OE1 GLN A 81 12.166 -2.859 -1.004 1.00 0.00 O flip ATOM 1227 NE2 GLN A 81 13.450 -3.058 -2.826 1.00 0.00 N flip ATOM 0 H GLN A 81 12.847 1.285 -3.075 1.00 0.00 H new ATOM 0 HA GLN A 81 11.928 1.929 -0.430 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.218 -0.445 -0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.445 -0.206 -1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.699 -0.508 -2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.362 -0.900 -1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.106 -2.653 -3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.150 -4.027 -2.929 1.00 0.00 H new