USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 501 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 Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN :FLIP amide:sc= -1.12 F(o=-2.7,f=-1.1) USER MOD Single : A 20 THR OG1 : rot -26:sc= -3.35! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= -1.05 (180deg=-1.35) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 140:sc= -7.06! USER MOD Single : A 44 MET CE :methyl 149:sc= -0.0714 (180deg=-0.857) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.72! C(o=-3!,f=-1.7!) USER MOD Single : A 51 THR OG1 : rot 140:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 123:sc= -1.21 USER MOD Single : A 58 LYS NZ :NH3+ -104:sc= -0.0451 (180deg=-1) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 75:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0429 K(o=-0.043,f=-1.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 -9.444 1.954 -8.377 1.00 0.00 N ATOM 44 CA THR A 4 -10.163 2.117 -7.125 1.00 0.00 C ATOM 45 C THR A 4 -9.461 1.352 -6.002 1.00 0.00 C ATOM 46 O THR A 4 -8.512 0.610 -6.251 1.00 0.00 O ATOM 47 CB THR A 4 -11.611 1.674 -7.350 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.380 2.835 -7.048 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.074 0.641 -6.321 1.00 0.00 C ATOM 0 HA THR A 4 -10.172 3.160 -6.808 1.00 0.00 H new ATOM 0 HB THR A 4 -11.712 1.257 -8.352 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.332 2.637 -7.169 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.107 0.361 -6.526 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.439 -0.243 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.006 1.068 -5.321 1.00 0.00 H new ATOM 57 N GLN A 5 -9.954 1.558 -4.790 1.00 0.00 N ATOM 58 CA GLN A 5 -9.387 0.896 -3.628 1.00 0.00 C ATOM 59 C GLN A 5 -9.251 -0.605 -3.885 1.00 0.00 C ATOM 60 O GLN A 5 -8.141 -1.115 -4.036 1.00 0.00 O ATOM 61 CB GLN A 5 -10.228 1.164 -2.379 1.00 0.00 C ATOM 62 CG GLN A 5 -9.548 0.601 -1.129 1.00 0.00 C ATOM 63 CD GLN A 5 -8.493 1.573 -0.594 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.342 1.541 -1.260 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -8.710 2.302 0.359 1.00 0.00 N flip ATOM 0 H GLN A 5 -10.741 2.175 -4.587 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.393 1.306 -3.451 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.381 2.237 -2.262 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.213 0.713 -2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.295 0.410 -0.359 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.081 -0.355 -1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.617 2.276 0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.985 2.938 0.690 1.00 0.00 H new ATOM 72 N GLU A 6 -10.395 -1.273 -3.929 1.00 0.00 N ATOM 73 CA GLU A 6 -10.417 -2.706 -4.167 1.00 0.00 C ATOM 74 C GLU A 6 -9.556 -3.056 -5.382 1.00 0.00 C ATOM 75 O GLU A 6 -9.125 -4.198 -5.533 1.00 0.00 O ATOM 76 CB GLU A 6 -11.850 -3.209 -4.347 1.00 0.00 C ATOM 77 CG GLU A 6 -12.304 -4.019 -3.130 1.00 0.00 C ATOM 78 CD GLU A 6 -13.779 -3.759 -2.818 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.627 -4.631 -3.059 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.031 -2.602 -2.304 1.00 0.00 O ATOM 0 H GLU A 6 -11.314 -0.848 -3.804 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.998 -3.206 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.520 -2.362 -4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.913 -3.826 -5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.150 -5.082 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.694 -3.756 -2.266 1.00 0.00 H new ATOM 86 N GLU A 7 -9.331 -2.052 -6.216 1.00 0.00 N ATOM 87 CA GLU A 7 -8.529 -2.240 -7.414 1.00 0.00 C ATOM 88 C GLU A 7 -7.046 -2.338 -7.049 1.00 0.00 C ATOM 89 O GLU A 7 -6.326 -3.180 -7.584 1.00 0.00 O ATOM 90 CB GLU A 7 -8.773 -1.113 -8.420 1.00 0.00 C ATOM 91 CG GLU A 7 -9.385 -1.655 -9.712 1.00 0.00 C ATOM 92 CD GLU A 7 -10.821 -2.133 -9.481 1.00 0.00 C ATOM 93 OE1 GLU A 7 -11.035 -3.303 -9.131 1.00 0.00 O ATOM 94 OE2 GLU A 7 -11.731 -1.240 -9.677 1.00 0.00 O ATOM 0 H GLU A 7 -9.690 -1.106 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.830 -3.175 -7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.438 -0.368 -7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.832 -0.609 -8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.375 -0.878 -10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.779 -2.480 -10.087 1.00 0.00 H new ATOM 100 N ILE A 8 -6.633 -1.465 -6.142 1.00 0.00 N ATOM 101 CA ILE A 8 -5.250 -1.442 -5.700 1.00 0.00 C ATOM 102 C ILE A 8 -5.106 -2.304 -4.444 1.00 0.00 C ATOM 103 O ILE A 8 -4.000 -2.492 -3.939 1.00 0.00 O ATOM 104 CB ILE A 8 -4.769 -0.002 -5.517 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.319 0.905 -6.620 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.243 0.061 -5.432 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.115 2.380 -6.270 1.00 0.00 C ATOM 0 H ILE A 8 -7.233 -0.768 -5.701 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.600 -1.875 -6.460 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.160 0.369 -4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.821 0.679 -7.563 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.381 0.705 -6.764 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.928 1.096 -5.302 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.901 -0.531 -4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.811 -0.337 -6.350 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.515 3.003 -7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.634 2.608 -5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.051 2.582 -6.151 1.00 0.00 H new ATOM 118 N ILE A 9 -6.240 -2.804 -3.975 1.00 0.00 N ATOM 119 CA ILE A 9 -6.254 -3.641 -2.788 1.00 0.00 C ATOM 120 C ILE A 9 -6.461 -5.099 -3.199 1.00 0.00 C ATOM 121 O ILE A 9 -5.831 -5.999 -2.646 1.00 0.00 O ATOM 122 CB ILE A 9 -7.293 -3.131 -1.786 1.00 0.00 C ATOM 123 CG1 ILE A 9 -6.948 -1.719 -1.309 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.453 -4.107 -0.618 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.517 -1.456 0.086 1.00 0.00 C ATOM 0 H ILE A 9 -7.155 -2.645 -4.396 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.295 -3.588 -2.273 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.256 -3.073 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.866 -1.591 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.346 -0.987 -2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.197 -3.721 0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.778 -5.076 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.498 -4.220 -0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.257 -0.445 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.602 -1.561 0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.098 -2.174 0.791 1.00 0.00 H new ATOM 136 N ALA A 10 -7.346 -5.289 -4.166 1.00 0.00 N ATOM 137 CA ALA A 10 -7.644 -6.623 -4.658 1.00 0.00 C ATOM 138 C ALA A 10 -6.766 -6.920 -5.875 1.00 0.00 C ATOM 139 O ALA A 10 -6.353 -8.060 -6.084 1.00 0.00 O ATOM 140 CB ALA A 10 -9.137 -6.728 -4.976 1.00 0.00 C ATOM 0 H ALA A 10 -7.867 -4.540 -4.623 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.419 -7.372 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.361 -7.729 -5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.716 -6.537 -4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.399 -5.993 -5.737 1.00 0.00 H new ATOM 146 N GLY A 11 -6.507 -5.875 -6.648 1.00 0.00 N ATOM 147 CA GLY A 11 -5.685 -6.011 -7.840 1.00 0.00 C ATOM 148 C GLY A 11 -4.221 -6.250 -7.471 1.00 0.00 C ATOM 149 O GLY A 11 -3.543 -7.063 -8.100 1.00 0.00 O ATOM 0 H GLY A 11 -6.851 -4.931 -6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.051 -6.840 -8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.768 -5.110 -8.448 1.00 0.00 H new ATOM 153 N ILE A 12 -3.774 -5.530 -6.452 1.00 0.00 N ATOM 154 CA ILE A 12 -2.401 -5.653 -5.993 1.00 0.00 C ATOM 155 C ILE A 12 -2.266 -6.916 -5.138 1.00 0.00 C ATOM 156 O ILE A 12 -1.406 -7.756 -5.397 1.00 0.00 O ATOM 157 CB ILE A 12 -1.959 -4.376 -5.277 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.903 -3.194 -6.247 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.627 -4.586 -4.553 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.706 -2.291 -5.944 1.00 0.00 C ATOM 0 H ILE A 12 -4.339 -4.859 -5.931 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.724 -5.766 -6.840 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.704 -4.135 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.835 -3.562 -7.271 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.825 -2.617 -6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.336 -3.663 -4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.735 -5.381 -3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.140 -4.864 -5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.690 -1.459 -6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.789 -1.905 -4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.216 -2.865 -6.040 1.00 0.00 H new ATOM 171 N ALA A 13 -3.130 -7.009 -4.137 1.00 0.00 N ATOM 172 CA ALA A 13 -3.117 -8.154 -3.243 1.00 0.00 C ATOM 173 C ALA A 13 -2.923 -9.433 -4.062 1.00 0.00 C ATOM 174 O ALA A 13 -2.095 -10.274 -3.717 1.00 0.00 O ATOM 175 CB ALA A 13 -4.410 -8.177 -2.425 1.00 0.00 C ATOM 0 H ALA A 13 -3.843 -6.311 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.287 -8.083 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.401 -9.036 -1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.487 -7.260 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.265 -8.251 -3.097 1.00 0.00 H new ATOM 181 N GLU A 14 -3.701 -9.538 -5.128 1.00 0.00 N ATOM 182 CA GLU A 14 -3.625 -10.699 -5.998 1.00 0.00 C ATOM 183 C GLU A 14 -2.210 -10.849 -6.561 1.00 0.00 C ATOM 184 O GLU A 14 -1.646 -11.942 -6.547 1.00 0.00 O ATOM 185 CB GLU A 14 -4.657 -10.609 -7.125 1.00 0.00 C ATOM 186 CG GLU A 14 -5.983 -11.246 -6.705 1.00 0.00 C ATOM 187 CD GLU A 14 -7.162 -10.570 -7.407 1.00 0.00 C ATOM 188 OE1 GLU A 14 -7.198 -10.515 -8.646 1.00 0.00 O ATOM 189 OE2 GLU A 14 -8.064 -10.090 -6.619 1.00 0.00 O ATOM 0 H GLU A 14 -4.388 -8.838 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.856 -11.586 -5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.819 -9.565 -7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.274 -11.110 -8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.972 -12.309 -6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.103 -11.165 -5.625 1.00 0.00 H new ATOM 195 N ILE A 15 -1.679 -9.735 -7.043 1.00 0.00 N ATOM 196 CA ILE A 15 -0.340 -9.729 -7.609 1.00 0.00 C ATOM 197 C ILE A 15 0.671 -10.100 -6.523 1.00 0.00 C ATOM 198 O ILE A 15 1.601 -10.865 -6.770 1.00 0.00 O ATOM 199 CB ILE A 15 -0.052 -8.388 -8.286 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.847 -8.247 -9.586 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.450 -8.199 -8.509 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.503 -6.939 -10.300 1.00 0.00 C ATOM 0 H ILE A 15 -2.151 -8.831 -7.053 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.254 -10.481 -8.393 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.382 -7.591 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.632 -9.091 -10.242 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.915 -8.277 -9.369 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.628 -7.238 -8.992 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.966 -8.224 -7.549 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.827 -9.000 -9.145 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.082 -6.864 -11.221 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.742 -6.096 -9.651 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.561 -6.923 -10.538 1.00 0.00 H new ATOM 213 N ILE A 16 0.454 -9.539 -5.342 1.00 0.00 N ATOM 214 CA ILE A 16 1.334 -9.801 -4.216 1.00 0.00 C ATOM 215 C ILE A 16 1.450 -11.312 -4.005 1.00 0.00 C ATOM 216 O ILE A 16 2.503 -11.808 -3.610 1.00 0.00 O ATOM 217 CB ILE A 16 0.859 -9.042 -2.975 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.888 -7.530 -3.213 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.671 -9.444 -1.742 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.879 -6.766 -1.888 1.00 0.00 C ATOM 0 H ILE A 16 -0.319 -8.904 -5.141 1.00 0.00 H new ATOM 0 HA ILE A 16 2.337 -9.429 -4.424 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.178 -9.318 -2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.778 -7.265 -3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.026 -7.236 -3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.313 -8.890 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.556 -10.513 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.724 -9.216 -1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.900 -5.694 -2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.024 -7.014 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.755 -7.044 -1.302 1.00 0.00 H new ATOM 231 N GLU A 17 0.351 -12.001 -4.277 1.00 0.00 N ATOM 232 CA GLU A 17 0.316 -13.446 -4.121 1.00 0.00 C ATOM 233 C GLU A 17 1.108 -14.119 -5.243 1.00 0.00 C ATOM 234 O GLU A 17 1.194 -15.344 -5.297 1.00 0.00 O ATOM 235 CB GLU A 17 -1.125 -13.958 -4.084 1.00 0.00 C ATOM 236 CG GLU A 17 -1.170 -15.442 -3.716 1.00 0.00 C ATOM 237 CD GLU A 17 -1.662 -16.285 -4.896 1.00 0.00 C ATOM 238 OE1 GLU A 17 -1.763 -15.775 -6.022 1.00 0.00 O ATOM 239 OE2 GLU A 17 -1.943 -17.511 -4.610 1.00 0.00 O ATOM 0 H GLU A 17 -0.521 -11.586 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 17 0.782 -13.701 -3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.701 -13.382 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.594 -13.806 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.177 -15.776 -3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.829 -15.588 -2.860 1.00 0.00 H new ATOM 245 N GLU A 18 1.668 -13.288 -6.110 1.00 0.00 N ATOM 246 CA GLU A 18 2.450 -13.789 -7.228 1.00 0.00 C ATOM 247 C GLU A 18 3.941 -13.552 -6.979 1.00 0.00 C ATOM 248 O GLU A 18 4.763 -14.434 -7.224 1.00 0.00 O ATOM 249 CB GLU A 18 2.005 -13.144 -8.542 1.00 0.00 C ATOM 250 CG GLU A 18 0.507 -13.354 -8.775 1.00 0.00 C ATOM 251 CD GLU A 18 0.261 -14.188 -10.034 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.072 -13.631 -11.091 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.429 -15.459 -9.888 1.00 0.00 O ATOM 0 H GLU A 18 1.596 -12.272 -6.061 1.00 0.00 H new ATOM 0 HA GLU A 18 2.280 -14.862 -7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.228 -12.077 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.569 -13.572 -9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.067 -13.853 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.011 -12.388 -8.871 1.00 0.00 H new ATOM 259 N VAL A 19 4.246 -12.357 -6.495 1.00 0.00 N ATOM 260 CA VAL A 19 5.624 -11.994 -6.211 1.00 0.00 C ATOM 261 C VAL A 19 6.003 -12.501 -4.817 1.00 0.00 C ATOM 262 O VAL A 19 6.847 -13.386 -4.683 1.00 0.00 O ATOM 263 CB VAL A 19 5.810 -10.484 -6.369 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.286 -10.131 -6.565 1.00 0.00 C ATOM 265 CG2 VAL A 19 4.961 -9.944 -7.521 1.00 0.00 C ATOM 0 H VAL A 19 3.562 -11.628 -6.292 1.00 0.00 H new ATOM 0 HA VAL A 19 6.299 -12.467 -6.924 1.00 0.00 H new ATOM 0 HB VAL A 19 5.470 -10.007 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.390 -9.052 -6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.858 -10.465 -5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.662 -10.625 -7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.112 -8.868 -7.611 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.256 -10.431 -8.450 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.908 -10.147 -7.324 1.00 0.00 H new ATOM 275 N THR A 20 5.362 -11.917 -3.816 1.00 0.00 N ATOM 276 CA THR A 20 5.622 -12.297 -2.438 1.00 0.00 C ATOM 277 C THR A 20 4.963 -13.642 -2.123 1.00 0.00 C ATOM 278 O THR A 20 5.426 -14.375 -1.250 1.00 0.00 O ATOM 279 CB THR A 20 5.141 -11.160 -1.534 1.00 0.00 C ATOM 280 OG1 THR A 20 3.731 -11.126 -1.738 1.00 0.00 O ATOM 281 CG2 THR A 20 5.620 -9.789 -2.015 1.00 0.00 C ATOM 0 H THR A 20 4.663 -11.183 -3.932 1.00 0.00 H new ATOM 0 HA THR A 20 6.688 -12.442 -2.263 1.00 0.00 H new ATOM 0 HB THR A 20 5.492 -11.332 -0.517 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.520 -11.480 -2.627 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.252 -9.017 -1.339 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.710 -9.769 -2.029 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.240 -9.603 -3.020 1.00 0.00 H new ATOM 289 N GLY A 21 3.894 -13.926 -2.852 1.00 0.00 N ATOM 290 CA GLY A 21 3.168 -15.170 -2.662 1.00 0.00 C ATOM 291 C GLY A 21 2.288 -15.105 -1.412 1.00 0.00 C ATOM 292 O GLY A 21 1.905 -16.138 -0.865 1.00 0.00 O ATOM 0 H GLY A 21 3.513 -13.316 -3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.550 -15.372 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.873 -15.997 -2.573 1.00 0.00 H new ATOM 296 N ILE A 22 1.994 -13.881 -0.997 1.00 0.00 N ATOM 297 CA ILE A 22 1.166 -13.669 0.178 1.00 0.00 C ATOM 298 C ILE A 22 -0.307 -13.823 -0.206 1.00 0.00 C ATOM 299 O ILE A 22 -0.644 -13.847 -1.389 1.00 0.00 O ATOM 300 CB ILE A 22 1.495 -12.324 0.829 1.00 0.00 C ATOM 301 CG1 ILE A 22 2.950 -12.285 1.301 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.516 -12.008 1.961 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.447 -10.843 1.425 1.00 0.00 C ATOM 0 H ILE A 22 2.314 -13.027 -1.453 1.00 0.00 H new ATOM 0 HA ILE A 22 1.378 -14.424 0.935 1.00 0.00 H new ATOM 0 HB ILE A 22 1.379 -11.543 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.037 -12.788 2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.579 -12.831 0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.773 -11.047 2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.498 -11.965 1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.575 -12.787 2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.484 -10.843 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.381 -10.351 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.831 -10.307 2.147 1.00 0.00 H new ATOM 314 N GLU A 23 -1.145 -13.922 0.815 1.00 0.00 N ATOM 315 CA GLU A 23 -2.574 -14.073 0.599 1.00 0.00 C ATOM 316 C GLU A 23 -3.169 -12.770 0.061 1.00 0.00 C ATOM 317 O GLU A 23 -2.659 -11.687 0.343 1.00 0.00 O ATOM 318 CB GLU A 23 -3.280 -14.508 1.884 1.00 0.00 C ATOM 319 CG GLU A 23 -3.731 -15.967 1.795 1.00 0.00 C ATOM 320 CD GLU A 23 -2.819 -16.875 2.622 1.00 0.00 C ATOM 321 OE1 GLU A 23 -1.594 -16.683 2.628 1.00 0.00 O ATOM 322 OE2 GLU A 23 -3.427 -17.806 3.276 1.00 0.00 O ATOM 0 H GLU A 23 -0.862 -13.901 1.795 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.729 -14.855 -0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.608 -14.383 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.143 -13.867 2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.758 -16.056 2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.725 -16.290 0.754 1.00 0.00 H new ATOM 328 N PRO A 24 -4.268 -12.922 -0.725 1.00 0.00 N ATOM 329 CA PRO A 24 -4.939 -11.771 -1.306 1.00 0.00 C ATOM 330 C PRO A 24 -5.754 -11.022 -0.250 1.00 0.00 C ATOM 331 O PRO A 24 -5.638 -9.804 -0.120 1.00 0.00 O ATOM 332 CB PRO A 24 -5.794 -12.338 -2.426 1.00 0.00 C ATOM 333 CG PRO A 24 -5.933 -13.823 -2.135 1.00 0.00 C ATOM 334 CD PRO A 24 -4.900 -14.189 -1.081 1.00 0.00 C ATOM 0 HA PRO A 24 -4.242 -11.028 -1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.770 -11.853 -2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.326 -12.173 -3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.938 -14.050 -1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.776 -14.406 -3.042 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.367 -14.656 -0.214 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.171 -14.899 -1.471 1.00 0.00 H new ATOM 339 N SER A 25 -6.561 -11.780 0.477 1.00 0.00 N ATOM 340 CA SER A 25 -7.395 -11.204 1.517 1.00 0.00 C ATOM 341 C SER A 25 -6.521 -10.652 2.644 1.00 0.00 C ATOM 342 O SER A 25 -6.931 -9.744 3.366 1.00 0.00 O ATOM 343 CB SER A 25 -8.382 -12.235 2.067 1.00 0.00 C ATOM 344 OG SER A 25 -9.718 -11.741 2.084 1.00 0.00 O ATOM 0 H SER A 25 -6.655 -12.790 0.366 1.00 0.00 H new ATOM 0 HA SER A 25 -7.970 -10.388 1.080 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.338 -13.139 1.459 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.087 -12.516 3.078 1.00 0.00 H new ATOM 0 HG SER A 25 -10.317 -12.430 2.440 1.00 0.00 H new ATOM 349 N GLU A 26 -5.331 -11.223 2.760 1.00 0.00 N ATOM 350 CA GLU A 26 -4.394 -10.800 3.787 1.00 0.00 C ATOM 351 C GLU A 26 -4.004 -9.336 3.580 1.00 0.00 C ATOM 352 O GLU A 26 -3.955 -8.560 4.534 1.00 0.00 O ATOM 353 CB GLU A 26 -3.157 -11.699 3.806 1.00 0.00 C ATOM 354 CG GLU A 26 -2.485 -11.680 5.180 1.00 0.00 C ATOM 355 CD GLU A 26 -1.283 -12.626 5.217 1.00 0.00 C ATOM 356 OE1 GLU A 26 -0.139 -12.182 5.036 1.00 0.00 O ATOM 357 OE2 GLU A 26 -1.570 -13.863 5.442 1.00 0.00 O ATOM 0 H GLU A 26 -4.994 -11.975 2.159 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.884 -10.892 4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.441 -12.720 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.449 -11.366 3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.162 -10.666 5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.205 -11.971 5.945 1.00 0.00 H new ATOM 363 N ILE A 27 -3.737 -9.000 2.326 1.00 0.00 N ATOM 364 CA ILE A 27 -3.354 -7.641 1.980 1.00 0.00 C ATOM 365 C ILE A 27 -4.500 -6.688 2.324 1.00 0.00 C ATOM 366 O ILE A 27 -5.665 -7.002 2.087 1.00 0.00 O ATOM 367 CB ILE A 27 -2.910 -7.566 0.518 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.455 -8.017 0.362 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.139 -6.165 -0.053 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.116 -9.126 1.360 1.00 0.00 C ATOM 0 H ILE A 27 -3.778 -9.645 1.537 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.492 -7.327 2.568 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.525 -8.255 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.288 -8.374 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.789 -7.168 0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.815 -6.139 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.199 -5.918 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.566 -5.439 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.077 -9.429 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.261 -8.758 2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.768 -9.982 1.188 1.00 0.00 H new ATOM 381 N THR A 28 -4.129 -5.544 2.879 1.00 0.00 N ATOM 382 CA THR A 28 -5.112 -4.543 3.258 1.00 0.00 C ATOM 383 C THR A 28 -4.501 -3.142 3.187 1.00 0.00 C ATOM 384 O THR A 28 -3.283 -2.996 3.097 1.00 0.00 O ATOM 385 CB THR A 28 -5.643 -4.905 4.647 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.539 -5.538 5.286 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.719 -5.992 4.596 1.00 0.00 C ATOM 0 H THR A 28 -3.161 -5.288 3.075 1.00 0.00 H new ATOM 0 HA THR A 28 -5.953 -4.532 2.565 1.00 0.00 H new ATOM 0 HB THR A 28 -6.050 -4.014 5.125 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.795 -5.804 6.194 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.062 -6.212 5.607 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.559 -5.644 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.303 -6.895 4.150 1.00 0.00 H new ATOM 395 N PRO A 29 -5.398 -2.121 3.233 1.00 0.00 N ATOM 396 CA PRO A 29 -4.960 -0.736 3.174 1.00 0.00 C ATOM 397 C PRO A 29 -4.344 -0.300 4.505 1.00 0.00 C ATOM 398 O PRO A 29 -4.606 0.803 4.983 1.00 0.00 O ATOM 399 CB PRO A 29 -6.205 0.055 2.808 1.00 0.00 C ATOM 400 CG PRO A 29 -7.384 -0.850 3.129 1.00 0.00 C ATOM 401 CD PRO A 29 -6.848 -2.256 3.339 1.00 0.00 C ATOM 0 HA PRO A 29 -4.172 -0.574 2.439 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.259 0.983 3.377 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.198 0.328 1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.901 -0.501 4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.109 -0.835 2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.139 -2.649 4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.237 -2.944 2.589 1.00 0.00 H new ATOM 406 N GLU A 30 -3.538 -1.189 5.067 1.00 0.00 N ATOM 407 CA GLU A 30 -2.882 -0.909 6.333 1.00 0.00 C ATOM 408 C GLU A 30 -1.426 -1.375 6.292 1.00 0.00 C ATOM 409 O GLU A 30 -0.729 -1.337 7.304 1.00 0.00 O ATOM 410 CB GLU A 30 -3.634 -1.563 7.496 1.00 0.00 C ATOM 411 CG GLU A 30 -5.044 -0.985 7.630 1.00 0.00 C ATOM 412 CD GLU A 30 -5.139 -0.046 8.834 1.00 0.00 C ATOM 413 OE1 GLU A 30 -4.440 0.978 8.878 1.00 0.00 O ATOM 414 OE2 GLU A 30 -5.977 -0.410 9.745 1.00 0.00 O ATOM 0 H GLU A 30 -3.324 -2.103 4.669 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.893 0.169 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.692 -2.640 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.083 -1.407 8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.307 -0.444 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.764 -1.796 7.739 1.00 0.00 H new ATOM 420 N LYS A 31 -1.008 -1.802 5.109 1.00 0.00 N ATOM 421 CA LYS A 31 0.353 -2.274 4.922 1.00 0.00 C ATOM 422 C LYS A 31 1.322 -1.101 5.081 1.00 0.00 C ATOM 423 O LYS A 31 0.910 0.057 5.044 1.00 0.00 O ATOM 424 CB LYS A 31 0.488 -3.006 3.585 1.00 0.00 C ATOM 425 CG LYS A 31 -0.525 -4.149 3.481 1.00 0.00 C ATOM 426 CD LYS A 31 0.161 -5.454 3.072 1.00 0.00 C ATOM 427 CE LYS A 31 -0.041 -6.534 4.137 1.00 0.00 C ATOM 428 NZ LYS A 31 1.082 -7.499 4.114 1.00 0.00 N ATOM 0 H LYS A 31 -1.588 -1.831 4.271 1.00 0.00 H new ATOM 0 HA LYS A 31 0.610 -3.006 5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.335 -2.304 2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.499 -3.401 3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.027 -4.283 4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.293 -3.894 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.241 -5.798 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.227 -5.279 2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.113 -6.073 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.981 -7.056 3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.080 -8.055 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.974 -8.138 3.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.981 -6.983 4.032 1.00 0.00 H new ATOM 437 N SER A 32 2.591 -1.441 5.255 1.00 0.00 N ATOM 438 CA SER A 32 3.621 -0.430 5.420 1.00 0.00 C ATOM 439 C SER A 32 4.740 -0.652 4.400 1.00 0.00 C ATOM 440 O SER A 32 5.821 -0.081 4.526 1.00 0.00 O ATOM 441 CB SER A 32 4.186 -0.448 6.841 1.00 0.00 C ATOM 442 OG SER A 32 4.385 0.867 7.353 1.00 0.00 O ATOM 0 H SER A 32 2.929 -2.403 5.285 1.00 0.00 H new ATOM 0 HA SER A 32 3.172 0.548 5.249 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.505 -0.993 7.495 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.133 -0.987 6.848 1.00 0.00 H new ATOM 0 HG SER A 32 4.745 0.813 8.263 1.00 0.00 H new ATOM 447 N PHE A 33 4.440 -1.484 3.412 1.00 0.00 N ATOM 448 CA PHE A 33 5.408 -1.787 2.372 1.00 0.00 C ATOM 449 C PHE A 33 6.413 -2.837 2.848 1.00 0.00 C ATOM 450 O PHE A 33 6.829 -3.700 2.076 1.00 0.00 O ATOM 451 CB PHE A 33 6.153 -0.488 2.060 1.00 0.00 C ATOM 452 CG PHE A 33 6.473 -0.296 0.576 1.00 0.00 C ATOM 453 CD1 PHE A 33 7.632 -0.788 0.062 1.00 0.00 C ATOM 454 CD2 PHE A 33 5.600 0.368 -0.227 1.00 0.00 C ATOM 455 CE1 PHE A 33 7.930 -0.609 -1.315 1.00 0.00 C ATOM 456 CE2 PHE A 33 5.898 0.547 -1.604 1.00 0.00 C ATOM 457 CZ PHE A 33 7.056 0.054 -2.119 1.00 0.00 C ATOM 0 H PHE A 33 3.542 -1.956 3.310 1.00 0.00 H new ATOM 0 HA PHE A 33 4.898 -2.183 1.494 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.553 0.355 2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.084 -0.469 2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.326 -1.315 0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.680 0.759 0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.850 -0.999 -1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.205 1.075 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.282 0.189 -3.167 1.00 0.00 H new ATOM 466 N VAL A 34 6.776 -2.729 4.118 1.00 0.00 N ATOM 467 CA VAL A 34 7.726 -3.658 4.706 1.00 0.00 C ATOM 468 C VAL A 34 7.244 -4.057 6.103 1.00 0.00 C ATOM 469 O VAL A 34 7.076 -5.241 6.390 1.00 0.00 O ATOM 470 CB VAL A 34 9.126 -3.042 4.711 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.781 -3.178 6.088 1.00 0.00 C ATOM 472 CG2 VAL A 34 10.003 -3.666 3.623 1.00 0.00 C ATOM 0 H VAL A 34 6.429 -2.012 4.756 1.00 0.00 H new ATOM 0 HA VAL A 34 7.788 -4.569 4.110 1.00 0.00 H new ATOM 0 HB VAL A 34 9.025 -1.979 4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.775 -2.732 6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.172 -2.666 6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.863 -4.233 6.349 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.993 -3.211 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.092 -4.738 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.549 -3.494 2.647 1.00 0.00 H new ATOM 482 N ASP A 35 7.035 -3.046 6.933 1.00 0.00 N ATOM 483 CA ASP A 35 6.576 -3.277 8.293 1.00 0.00 C ATOM 484 C ASP A 35 5.564 -4.425 8.296 1.00 0.00 C ATOM 485 O ASP A 35 5.472 -5.173 9.268 1.00 0.00 O ATOM 486 CB ASP A 35 5.884 -2.034 8.858 1.00 0.00 C ATOM 487 CG ASP A 35 5.924 -1.910 10.382 1.00 0.00 C ATOM 488 OD1 ASP A 35 4.997 -1.372 11.004 1.00 0.00 O ATOM 489 OD2 ASP A 35 6.979 -2.400 10.942 1.00 0.00 O ATOM 0 H ASP A 35 7.175 -2.065 6.691 1.00 0.00 H new ATOM 0 HA ASP A 35 7.444 -3.517 8.907 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.349 -1.149 8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.843 -2.038 8.536 1.00 0.00 H new ATOM 494 N ASP A 36 4.829 -4.527 7.198 1.00 0.00 N ATOM 495 CA ASP A 36 3.828 -5.572 7.063 1.00 0.00 C ATOM 496 C ASP A 36 4.337 -6.638 6.091 1.00 0.00 C ATOM 497 O ASP A 36 4.611 -7.768 6.492 1.00 0.00 O ATOM 498 CB ASP A 36 2.519 -5.009 6.505 1.00 0.00 C ATOM 499 CG ASP A 36 1.278 -5.298 7.352 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.616 -6.333 7.184 1.00 0.00 O ATOM 501 OD2 ASP A 36 0.994 -4.393 8.228 1.00 0.00 O ATOM 0 H ASP A 36 4.907 -3.904 6.394 1.00 0.00 H new ATOM 0 HA ASP A 36 3.647 -5.997 8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.623 -3.929 6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.362 -5.417 5.506 1.00 0.00 H new ATOM 506 N LEU A 37 4.449 -6.241 4.832 1.00 0.00 N ATOM 507 CA LEU A 37 4.920 -7.149 3.801 1.00 0.00 C ATOM 508 C LEU A 37 6.111 -7.947 4.335 1.00 0.00 C ATOM 509 O LEU A 37 6.109 -9.176 4.291 1.00 0.00 O ATOM 510 CB LEU A 37 5.222 -6.383 2.511 1.00 0.00 C ATOM 511 CG LEU A 37 4.013 -5.788 1.786 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.452 -4.968 0.570 1.00 0.00 C ATOM 513 CD2 LEU A 37 3.008 -6.879 1.408 1.00 0.00 C ATOM 0 H LEU A 37 4.222 -5.303 4.503 1.00 0.00 H new ATOM 0 HA LEU A 37 4.143 -7.869 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.914 -5.574 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.738 -7.055 1.825 1.00 0.00 H new ATOM 0 HG LEU A 37 3.507 -5.106 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.574 -4.556 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.100 -4.154 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.995 -5.609 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.159 -6.429 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.488 -7.604 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.661 -7.382 2.310 1.00 0.00 H new ATOM 524 N ASP A 38 7.100 -7.215 4.827 1.00 0.00 N ATOM 525 CA ASP A 38 8.295 -7.839 5.369 1.00 0.00 C ATOM 526 C ASP A 38 9.043 -8.561 4.246 1.00 0.00 C ATOM 527 O ASP A 38 9.917 -9.386 4.506 1.00 0.00 O ATOM 528 CB ASP A 38 7.939 -8.874 6.439 1.00 0.00 C ATOM 529 CG ASP A 38 8.873 -8.898 7.651 1.00 0.00 C ATOM 530 OD1 ASP A 38 8.516 -8.426 8.741 1.00 0.00 O ATOM 531 OD2 ASP A 38 10.025 -9.436 7.440 1.00 0.00 O ATOM 0 H ASP A 38 7.098 -6.196 4.862 1.00 0.00 H new ATOM 0 HA ASP A 38 8.911 -7.057 5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.924 -8.682 6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.938 -9.863 5.980 1.00 0.00 H new ATOM 536 N ILE A 39 8.673 -8.222 3.019 1.00 0.00 N ATOM 537 CA ILE A 39 9.298 -8.826 1.855 1.00 0.00 C ATOM 538 C ILE A 39 10.404 -7.903 1.338 1.00 0.00 C ATOM 539 O ILE A 39 11.252 -8.324 0.553 1.00 0.00 O ATOM 540 CB ILE A 39 8.245 -9.174 0.801 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.623 -10.451 0.049 1.00 0.00 C ATOM 542 CG2 ILE A 39 8.011 -7.997 -0.149 1.00 0.00 C ATOM 543 CD1 ILE A 39 9.999 -10.315 -0.607 1.00 0.00 C ATOM 0 H ILE A 39 7.948 -7.537 2.806 1.00 0.00 H new ATOM 0 HA ILE A 39 9.771 -9.771 2.124 1.00 0.00 H new ATOM 0 HB ILE A 39 7.302 -9.369 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.627 -11.295 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.873 -10.664 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.258 -8.270 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.665 -7.134 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.943 -7.747 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.243 -11.237 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.985 -9.485 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.750 -10.126 0.160 1.00 0.00 H new ATOM 554 N ASP A 40 10.358 -6.662 1.800 1.00 0.00 N ATOM 555 CA ASP A 40 11.345 -5.677 1.395 1.00 0.00 C ATOM 556 C ASP A 40 10.872 -4.982 0.116 1.00 0.00 C ATOM 557 O ASP A 40 9.728 -5.158 -0.303 1.00 0.00 O ATOM 558 CB ASP A 40 12.695 -6.336 1.102 1.00 0.00 C ATOM 559 CG ASP A 40 13.916 -5.445 1.339 1.00 0.00 C ATOM 560 OD1 ASP A 40 14.645 -5.096 0.399 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.110 -5.102 2.568 1.00 0.00 O ATOM 0 H ASP A 40 9.653 -6.317 2.451 1.00 0.00 H new ATOM 0 HA ASP A 40 11.461 -4.963 2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.789 -7.227 1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.702 -6.668 0.064 1.00 0.00 H new ATOM 566 N SER A 41 11.774 -4.207 -0.468 1.00 0.00 N ATOM 567 CA SER A 41 11.462 -3.486 -1.690 1.00 0.00 C ATOM 568 C SER A 41 11.810 -4.344 -2.908 1.00 0.00 C ATOM 569 O SER A 41 11.638 -3.912 -4.046 1.00 0.00 O ATOM 570 CB SER A 41 12.211 -2.153 -1.749 1.00 0.00 C ATOM 571 OG SER A 41 13.569 -2.321 -2.145 1.00 0.00 O ATOM 0 H SER A 41 12.721 -4.063 -0.117 1.00 0.00 H new ATOM 0 HA SER A 41 10.393 -3.273 -1.697 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.709 -1.486 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.175 -1.673 -0.771 1.00 0.00 H new ATOM 0 HG SER A 41 14.012 -1.447 -2.172 1.00 0.00 H new ATOM 576 N LEU A 42 12.292 -5.546 -2.626 1.00 0.00 N ATOM 577 CA LEU A 42 12.665 -6.469 -3.685 1.00 0.00 C ATOM 578 C LEU A 42 11.407 -6.923 -4.426 1.00 0.00 C ATOM 579 O LEU A 42 11.190 -6.548 -5.577 1.00 0.00 O ATOM 580 CB LEU A 42 13.497 -7.622 -3.121 1.00 0.00 C ATOM 581 CG LEU A 42 14.933 -7.729 -3.638 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.875 -8.231 -2.542 1.00 0.00 C ATOM 583 CD2 LEU A 42 14.999 -8.600 -4.895 1.00 0.00 C ATOM 0 H LEU A 42 12.433 -5.902 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 42 13.304 -5.973 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.529 -7.524 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.982 -8.557 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 42 15.270 -6.731 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.889 -8.298 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.857 -7.537 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.551 -9.216 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.030 -8.660 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.635 -9.601 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.378 -8.160 -5.676 1.00 0.00 H new ATOM 594 N SER A 43 10.610 -7.725 -3.736 1.00 0.00 N ATOM 595 CA SER A 43 9.378 -8.235 -4.315 1.00 0.00 C ATOM 596 C SER A 43 8.427 -7.078 -4.625 1.00 0.00 C ATOM 597 O SER A 43 7.849 -7.019 -5.709 1.00 0.00 O ATOM 598 CB SER A 43 8.704 -9.240 -3.378 1.00 0.00 C ATOM 599 OG SER A 43 7.628 -9.923 -4.014 1.00 0.00 O ATOM 0 H SER A 43 10.793 -8.034 -2.781 1.00 0.00 H new ATOM 0 HA SER A 43 9.624 -8.752 -5.242 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.441 -9.965 -3.034 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.332 -8.720 -2.495 1.00 0.00 H new ATOM 0 HG SER A 43 7.637 -10.866 -3.749 1.00 0.00 H new ATOM 604 N MET A 44 8.294 -6.187 -3.654 1.00 0.00 N ATOM 605 CA MET A 44 7.424 -5.034 -3.810 1.00 0.00 C ATOM 606 C MET A 44 7.696 -4.316 -5.134 1.00 0.00 C ATOM 607 O MET A 44 6.785 -3.748 -5.734 1.00 0.00 O ATOM 608 CB MET A 44 7.647 -4.064 -2.648 1.00 0.00 C ATOM 609 CG MET A 44 6.571 -4.237 -1.574 1.00 0.00 C ATOM 610 SD MET A 44 5.602 -2.744 -1.436 1.00 0.00 S ATOM 611 CE MET A 44 4.965 -2.633 -3.099 1.00 0.00 C ATOM 0 H MET A 44 8.774 -6.240 -2.756 1.00 0.00 H new ATOM 0 HA MET A 44 6.391 -5.381 -3.812 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.631 -4.234 -2.212 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.635 -3.039 -3.018 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.925 -5.078 -1.827 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.036 -4.469 -0.616 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.984 -2.159 -3.082 1.00 0.00 H new ATOM 0 HE2 MET A 44 5.645 -2.039 -3.710 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.877 -3.634 -3.522 1.00 0.00 H new ATOM 619 N VAL A 45 8.952 -4.367 -5.550 1.00 0.00 N ATOM 620 CA VAL A 45 9.355 -3.729 -6.792 1.00 0.00 C ATOM 621 C VAL A 45 8.625 -4.393 -7.961 1.00 0.00 C ATOM 622 O VAL A 45 8.289 -3.733 -8.943 1.00 0.00 O ATOM 623 CB VAL A 45 10.877 -3.775 -6.934 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.285 -4.350 -8.292 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.490 -2.390 -6.718 1.00 0.00 C ATOM 0 H VAL A 45 9.704 -4.840 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 45 9.074 -2.676 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 45 11.265 -4.437 -6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.372 -4.371 -8.366 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.895 -5.363 -8.390 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.879 -3.726 -9.088 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.573 -2.451 -6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.091 -1.696 -7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.243 -2.035 -5.717 1.00 0.00 H new ATOM 635 N GLU A 46 8.403 -5.691 -7.819 1.00 0.00 N ATOM 636 CA GLU A 46 7.719 -6.452 -8.851 1.00 0.00 C ATOM 637 C GLU A 46 6.226 -6.120 -8.853 1.00 0.00 C ATOM 638 O GLU A 46 5.673 -5.733 -9.882 1.00 0.00 O ATOM 639 CB GLU A 46 7.947 -7.953 -8.668 1.00 0.00 C ATOM 640 CG GLU A 46 8.672 -8.550 -9.877 1.00 0.00 C ATOM 641 CD GLU A 46 10.172 -8.681 -9.607 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.574 -8.984 -8.473 1.00 0.00 O ATOM 643 OE2 GLU A 46 10.931 -8.458 -10.627 1.00 0.00 O ATOM 0 H GLU A 46 8.685 -6.236 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 46 8.135 -6.171 -9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.533 -8.128 -7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.990 -8.455 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.254 -9.529 -10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.510 -7.919 -10.751 1.00 0.00 H new ATOM 649 N ILE A 47 5.614 -6.284 -7.689 1.00 0.00 N ATOM 650 CA ILE A 47 4.195 -6.008 -7.544 1.00 0.00 C ATOM 651 C ILE A 47 3.860 -4.694 -8.253 1.00 0.00 C ATOM 652 O ILE A 47 2.801 -4.566 -8.863 1.00 0.00 O ATOM 653 CB ILE A 47 3.793 -6.031 -6.067 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.645 -7.466 -5.560 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.527 -5.205 -5.832 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.290 -7.630 -4.183 1.00 0.00 C ATOM 0 H ILE A 47 6.075 -6.605 -6.838 1.00 0.00 H new ATOM 0 HA ILE A 47 3.604 -6.788 -8.023 1.00 0.00 H new ATOM 0 HB ILE A 47 4.592 -5.568 -5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.589 -7.729 -5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.108 -8.155 -6.267 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.262 -5.237 -4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.706 -4.172 -6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.709 -5.616 -6.424 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.171 -8.660 -3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.351 -7.390 -4.247 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.808 -6.957 -3.473 1.00 0.00 H new ATOM 667 N ALA A 48 4.785 -3.751 -8.148 1.00 0.00 N ATOM 668 CA ALA A 48 4.601 -2.451 -8.772 1.00 0.00 C ATOM 669 C ALA A 48 4.896 -2.563 -10.269 1.00 0.00 C ATOM 670 O ALA A 48 4.123 -2.078 -11.095 1.00 0.00 O ATOM 671 CB ALA A 48 5.495 -1.421 -8.078 1.00 0.00 C ATOM 0 H ALA A 48 5.663 -3.861 -7.641 1.00 0.00 H new ATOM 0 HA ALA A 48 3.570 -2.115 -8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.357 -0.446 -8.546 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.227 -1.359 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.538 -1.724 -8.170 1.00 0.00 H new ATOM 677 N VAL A 49 6.014 -3.205 -10.574 1.00 0.00 N ATOM 678 CA VAL A 49 6.418 -3.387 -11.958 1.00 0.00 C ATOM 679 C VAL A 49 5.226 -3.893 -12.771 1.00 0.00 C ATOM 680 O VAL A 49 5.140 -3.646 -13.974 1.00 0.00 O ATOM 681 CB VAL A 49 7.630 -4.318 -12.031 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.221 -5.714 -12.508 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.721 -3.729 -12.927 1.00 0.00 C ATOM 0 H VAL A 49 6.653 -3.606 -9.887 1.00 0.00 H new ATOM 0 HA VAL A 49 6.728 -2.437 -12.393 1.00 0.00 H new ATOM 0 HB VAL A 49 8.040 -4.415 -11.026 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.101 -6.356 -12.551 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.496 -6.138 -11.813 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.775 -5.643 -13.500 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.571 -4.411 -12.961 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.328 -3.588 -13.934 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.043 -2.768 -12.525 1.00 0.00 H new ATOM 693 N GLN A 50 4.335 -4.593 -12.085 1.00 0.00 N ATOM 694 CA GLN A 50 3.152 -5.136 -12.728 1.00 0.00 C ATOM 695 C GLN A 50 2.016 -4.109 -12.705 1.00 0.00 C ATOM 696 O GLN A 50 1.518 -3.706 -13.754 1.00 0.00 O ATOM 697 CB GLN A 50 2.719 -6.446 -12.067 1.00 0.00 C ATOM 698 CG GLN A 50 3.834 -7.492 -12.143 1.00 0.00 C ATOM 699 CD GLN A 50 3.311 -8.877 -11.760 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.469 -9.178 -10.474 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 2.800 -9.625 -12.577 1.00 0.00 N flip ATOM 0 H GLN A 50 4.409 -4.797 -11.088 1.00 0.00 H new ATOM 0 HA GLN A 50 3.397 -5.356 -13.767 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.457 -6.263 -11.025 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.824 -6.827 -12.558 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.243 -7.520 -13.153 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.649 -7.210 -11.476 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.709 -9.332 -13.550 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.464 -10.543 -12.287 1.00 0.00 H new ATOM 708 N THR A 51 1.640 -3.717 -11.496 1.00 0.00 N ATOM 709 CA THR A 51 0.574 -2.747 -11.322 1.00 0.00 C ATOM 710 C THR A 51 0.840 -1.503 -12.174 1.00 0.00 C ATOM 711 O THR A 51 -0.087 -0.921 -12.733 1.00 0.00 O ATOM 712 CB THR A 51 0.448 -2.445 -9.827 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.289 -3.549 -9.311 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.447 -1.237 -9.548 1.00 0.00 C ATOM 0 H THR A 51 2.055 -4.054 -10.628 1.00 0.00 H new ATOM 0 HA THR A 51 -0.381 -3.142 -11.669 1.00 0.00 H new ATOM 0 HB THR A 51 1.438 -2.268 -9.408 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.082 -3.813 -8.443 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.503 -1.066 -8.473 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.030 -0.355 -10.035 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.447 -1.427 -9.937 1.00 0.00 H new ATOM 722 N GLU A 52 2.111 -1.135 -12.243 1.00 0.00 N ATOM 723 CA GLU A 52 2.510 0.028 -13.016 1.00 0.00 C ATOM 724 C GLU A 52 2.481 -0.292 -14.512 1.00 0.00 C ATOM 725 O GLU A 52 2.739 0.578 -15.342 1.00 0.00 O ATOM 726 CB GLU A 52 3.895 0.521 -12.589 1.00 0.00 C ATOM 727 CG GLU A 52 3.797 1.444 -11.372 1.00 0.00 C ATOM 728 CD GLU A 52 5.181 1.727 -10.786 1.00 0.00 C ATOM 729 OE1 GLU A 52 5.920 0.787 -10.459 1.00 0.00 O ATOM 730 OE2 GLU A 52 5.481 2.977 -10.675 1.00 0.00 O ATOM 0 H GLU A 52 2.877 -1.621 -11.777 1.00 0.00 H new ATOM 0 HA GLU A 52 1.798 0.830 -12.822 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.532 -0.332 -12.353 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.367 1.052 -13.416 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.321 2.382 -11.660 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.164 0.985 -10.613 1.00 0.00 H new ATOM 736 N ASP A 53 2.164 -1.544 -14.811 1.00 0.00 N ATOM 737 CA ASP A 53 2.097 -1.990 -16.191 1.00 0.00 C ATOM 738 C ASP A 53 0.663 -2.409 -16.519 1.00 0.00 C ATOM 739 O ASP A 53 0.020 -1.814 -17.382 1.00 0.00 O ATOM 740 CB ASP A 53 3.006 -3.198 -16.424 1.00 0.00 C ATOM 741 CG ASP A 53 3.943 -3.080 -17.629 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.175 -3.061 -17.481 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.353 -3.004 -18.773 1.00 0.00 O ATOM 0 H ASP A 53 1.951 -2.263 -14.120 1.00 0.00 H new ATOM 0 HA ASP A 53 2.421 -1.166 -16.827 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.608 -3.359 -15.529 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.383 -4.083 -16.553 1.00 0.00 H new ATOM 748 N LYS A 54 0.202 -3.431 -15.812 1.00 0.00 N ATOM 749 CA LYS A 54 -1.145 -3.935 -16.016 1.00 0.00 C ATOM 750 C LYS A 54 -2.110 -2.757 -16.158 1.00 0.00 C ATOM 751 O LYS A 54 -3.013 -2.788 -16.993 1.00 0.00 O ATOM 752 CB LYS A 54 -1.525 -4.912 -14.901 1.00 0.00 C ATOM 753 CG LYS A 54 -1.197 -6.353 -15.299 1.00 0.00 C ATOM 754 CD LYS A 54 -1.374 -7.303 -14.113 1.00 0.00 C ATOM 755 CE LYS A 54 -2.857 -7.491 -13.779 1.00 0.00 C ATOM 756 NZ LYS A 54 -3.272 -8.888 -14.038 1.00 0.00 N ATOM 0 H LYS A 54 0.738 -3.923 -15.097 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.202 -4.506 -16.942 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.990 -4.653 -13.987 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.589 -4.824 -14.683 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.845 -6.664 -16.119 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.172 -6.409 -15.664 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.924 -8.268 -14.345 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.849 -6.907 -13.244 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.035 -7.240 -12.733 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.460 -6.809 -14.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.280 -8.999 -13.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.120 -9.115 -15.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.708 -9.533 -13.448 1.00 0.00 H new ATOM 765 N TYR A 55 -1.888 -1.748 -15.329 1.00 0.00 N ATOM 766 CA TYR A 55 -2.728 -0.562 -15.352 1.00 0.00 C ATOM 767 C TYR A 55 -2.015 0.601 -16.045 1.00 0.00 C ATOM 768 O TYR A 55 -2.637 1.366 -16.781 1.00 0.00 O ATOM 769 CB TYR A 55 -2.975 -0.193 -13.888 1.00 0.00 C ATOM 770 CG TYR A 55 -4.450 -0.223 -13.480 1.00 0.00 C ATOM 771 CD1 TYR A 55 -5.359 0.597 -14.117 1.00 0.00 C ATOM 772 CD2 TYR A 55 -4.871 -1.070 -12.475 1.00 0.00 C ATOM 773 CE1 TYR A 55 -6.747 0.570 -13.734 1.00 0.00 C ATOM 774 CE2 TYR A 55 -6.259 -1.097 -12.091 1.00 0.00 C ATOM 775 CZ TYR A 55 -7.128 -0.276 -12.739 1.00 0.00 C ATOM 776 OH TYR A 55 -8.438 -0.302 -12.377 1.00 0.00 O ATOM 0 H TYR A 55 -1.139 -1.727 -14.637 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.652 -0.756 -15.896 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.418 -0.881 -13.251 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.577 0.805 -13.703 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.029 1.260 -14.903 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.160 -1.712 -11.977 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.468 1.206 -14.225 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.602 -1.755 -11.306 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.785 -1.214 -12.468 1.00 0.00 H new ATOM 785 N GLY A 56 -0.719 0.699 -15.784 1.00 0.00 N ATOM 786 CA GLY A 56 0.085 1.756 -16.374 1.00 0.00 C ATOM 787 C GLY A 56 0.128 2.985 -15.463 1.00 0.00 C ATOM 788 O GLY A 56 0.225 4.113 -15.941 1.00 0.00 O ATOM 0 H GLY A 56 -0.206 0.064 -15.172 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.098 1.393 -16.549 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.327 2.032 -17.345 1.00 0.00 H new ATOM 792 N VAL A 57 0.053 2.723 -14.166 1.00 0.00 N ATOM 793 CA VAL A 57 0.082 3.794 -13.184 1.00 0.00 C ATOM 794 C VAL A 57 1.513 4.318 -13.050 1.00 0.00 C ATOM 795 O VAL A 57 2.471 3.584 -13.284 1.00 0.00 O ATOM 796 CB VAL A 57 -0.502 3.303 -11.857 1.00 0.00 C ATOM 797 CG1 VAL A 57 -1.990 2.977 -12.001 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.276 2.096 -11.330 1.00 0.00 C ATOM 0 H VAL A 57 -0.028 1.785 -13.773 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.540 4.628 -13.509 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.405 4.108 -11.129 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.381 2.630 -11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.530 3.872 -12.311 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.121 2.196 -12.750 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.159 1.767 -10.386 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.225 1.285 -12.056 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.318 2.375 -11.171 1.00 0.00 H new ATOM 808 N LYS A 58 1.613 5.584 -12.673 1.00 0.00 N ATOM 809 CA LYS A 58 2.911 6.216 -12.505 1.00 0.00 C ATOM 810 C LYS A 58 3.277 6.231 -11.019 1.00 0.00 C ATOM 811 O LYS A 58 2.684 6.974 -10.238 1.00 0.00 O ATOM 812 CB LYS A 58 2.921 7.600 -13.155 1.00 0.00 C ATOM 813 CG LYS A 58 1.766 8.459 -12.636 1.00 0.00 C ATOM 814 CD LYS A 58 0.574 8.410 -13.593 1.00 0.00 C ATOM 815 CE LYS A 58 -0.737 8.217 -12.828 1.00 0.00 C ATOM 816 NZ LYS A 58 -1.611 7.253 -13.532 1.00 0.00 N ATOM 0 H LYS A 58 0.816 6.190 -12.479 1.00 0.00 H new ATOM 0 HA LYS A 58 3.683 5.643 -13.018 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.869 8.096 -12.948 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.845 7.498 -14.238 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.461 8.107 -11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.099 9.490 -12.517 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.529 9.333 -14.171 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.707 7.595 -14.304 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.527 7.858 -11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.249 9.174 -12.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.372 7.767 -14.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.051 6.721 -14.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.025 6.593 -12.843 1.00 0.00 H new ATOM 825 N ILE A 59 4.252 5.403 -10.674 1.00 0.00 N ATOM 826 CA ILE A 59 4.704 5.312 -9.296 1.00 0.00 C ATOM 827 C ILE A 59 6.215 5.076 -9.275 1.00 0.00 C ATOM 828 O ILE A 59 6.677 4.033 -8.812 1.00 0.00 O ATOM 829 CB ILE A 59 3.903 4.250 -8.539 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.402 4.433 -8.762 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.267 4.248 -7.052 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.594 3.656 -7.720 1.00 0.00 C ATOM 0 H ILE A 59 4.742 4.789 -11.325 1.00 0.00 H new ATOM 0 HA ILE A 59 4.521 6.249 -8.771 1.00 0.00 H new ATOM 0 HB ILE A 59 4.169 3.271 -8.938 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.149 5.492 -8.708 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.135 4.092 -9.762 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.685 3.485 -6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.329 4.033 -6.938 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.047 5.225 -6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.529 3.803 -7.901 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.831 2.595 -7.793 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.845 4.016 -6.722 1.00 0.00 H new ATOM 843 N PRO A 60 6.963 6.086 -9.793 1.00 0.00 N ATOM 844 CA PRO A 60 8.412 5.998 -9.837 1.00 0.00 C ATOM 845 C PRO A 60 9.018 6.216 -8.449 1.00 0.00 C ATOM 846 O PRO A 60 8.306 6.554 -7.504 1.00 0.00 O ATOM 847 CB PRO A 60 8.839 7.054 -10.844 1.00 0.00 C ATOM 848 CG PRO A 60 7.661 8.004 -10.978 1.00 0.00 C ATOM 849 CD PRO A 60 6.450 7.336 -10.348 1.00 0.00 C ATOM 0 HA PRO A 60 8.764 5.012 -10.139 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.729 7.582 -10.502 1.00 0.00 H new ATOM 0 HB3 PRO A 60 9.086 6.601 -11.804 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.876 8.951 -10.482 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.470 8.230 -12.027 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.011 7.963 -9.572 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.671 7.151 -11.087 1.00 0.00 H new ATOM 854 N ASP A 61 10.324 6.014 -8.370 1.00 0.00 N ATOM 855 CA ASP A 61 11.033 6.185 -7.112 1.00 0.00 C ATOM 856 C ASP A 61 10.710 7.563 -6.533 1.00 0.00 C ATOM 857 O ASP A 61 10.535 7.706 -5.323 1.00 0.00 O ATOM 858 CB ASP A 61 12.547 6.101 -7.319 1.00 0.00 C ATOM 859 CG ASP A 61 13.193 4.797 -6.848 1.00 0.00 C ATOM 860 OD1 ASP A 61 13.443 3.883 -7.646 1.00 0.00 O ATOM 861 OD2 ASP A 61 13.445 4.739 -5.583 1.00 0.00 O ATOM 0 H ASP A 61 10.911 5.734 -9.156 1.00 0.00 H new ATOM 0 HA ASP A 61 10.717 5.392 -6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.761 6.233 -8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.017 6.932 -6.793 1.00 0.00 H new ATOM 866 N GLU A 62 10.641 8.543 -7.422 1.00 0.00 N ATOM 867 CA GLU A 62 10.343 9.904 -7.013 1.00 0.00 C ATOM 868 C GLU A 62 9.230 9.911 -5.963 1.00 0.00 C ATOM 869 O GLU A 62 9.158 10.819 -5.135 1.00 0.00 O ATOM 870 CB GLU A 62 9.963 10.767 -8.218 1.00 0.00 C ATOM 871 CG GLU A 62 11.105 10.819 -9.236 1.00 0.00 C ATOM 872 CD GLU A 62 11.855 12.150 -9.151 1.00 0.00 C ATOM 873 OE1 GLU A 62 11.817 12.817 -8.107 1.00 0.00 O ATOM 874 OE2 GLU A 62 12.496 12.483 -10.221 1.00 0.00 O ATOM 0 H GLU A 62 10.786 8.421 -8.424 1.00 0.00 H new ATOM 0 HA GLU A 62 11.240 10.333 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.067 10.364 -8.691 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.721 11.776 -7.885 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.796 9.996 -9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.707 10.685 -10.242 1.00 0.00 H new ATOM 880 N ASP A 63 8.390 8.888 -6.029 1.00 0.00 N ATOM 881 CA ASP A 63 7.285 8.765 -5.094 1.00 0.00 C ATOM 882 C ASP A 63 7.421 7.451 -4.322 1.00 0.00 C ATOM 883 O ASP A 63 7.261 7.426 -3.102 1.00 0.00 O ATOM 884 CB ASP A 63 5.943 8.746 -5.827 1.00 0.00 C ATOM 885 CG ASP A 63 4.909 9.750 -5.310 1.00 0.00 C ATOM 886 OD1 ASP A 63 4.944 10.939 -5.661 1.00 0.00 O ATOM 887 OD2 ASP A 63 4.029 9.260 -4.505 1.00 0.00 O ATOM 0 H ASP A 63 8.453 8.137 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 63 7.316 9.622 -4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.121 8.942 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.521 7.743 -5.755 1.00 0.00 H new ATOM 892 N LEU A 64 7.714 6.393 -5.063 1.00 0.00 N ATOM 893 CA LEU A 64 7.872 5.079 -4.463 1.00 0.00 C ATOM 894 C LEU A 64 8.749 5.196 -3.214 1.00 0.00 C ATOM 895 O LEU A 64 8.644 4.381 -2.300 1.00 0.00 O ATOM 896 CB LEU A 64 8.402 4.081 -5.494 1.00 0.00 C ATOM 897 CG LEU A 64 8.024 2.616 -5.263 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.806 2.025 -4.089 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.512 2.462 -5.080 1.00 0.00 C ATOM 0 H LEU A 64 7.846 6.419 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 64 6.907 4.688 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.040 4.378 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.489 4.156 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 64 8.301 2.049 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.518 0.983 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.874 2.081 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.584 2.589 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.270 1.412 -4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.188 3.046 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.999 2.818 -5.973 1.00 0.00 H new ATOM 910 N ALA A 65 9.592 6.218 -3.215 1.00 0.00 N ATOM 911 CA ALA A 65 10.486 6.453 -2.093 1.00 0.00 C ATOM 912 C ALA A 65 9.677 6.974 -0.903 1.00 0.00 C ATOM 913 O ALA A 65 9.882 6.539 0.228 1.00 0.00 O ATOM 914 CB ALA A 65 11.593 7.421 -2.515 1.00 0.00 C ATOM 0 H ALA A 65 9.675 6.893 -3.975 1.00 0.00 H new ATOM 0 HA ALA A 65 10.966 5.525 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.263 7.597 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.156 6.991 -3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.150 8.366 -2.829 1.00 0.00 H new ATOM 920 N GLY A 66 8.775 7.897 -1.201 1.00 0.00 N ATOM 921 CA GLY A 66 7.935 8.482 -0.169 1.00 0.00 C ATOM 922 C GLY A 66 6.846 7.502 0.271 1.00 0.00 C ATOM 923 O GLY A 66 6.627 7.308 1.467 1.00 0.00 O ATOM 0 H GLY A 66 8.607 8.254 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.547 8.760 0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.476 9.397 -0.544 1.00 0.00 H new ATOM 927 N LEU A 67 6.192 6.909 -0.717 1.00 0.00 N ATOM 928 CA LEU A 67 5.131 5.954 -0.445 1.00 0.00 C ATOM 929 C LEU A 67 5.528 5.085 0.750 1.00 0.00 C ATOM 930 O LEU A 67 6.614 4.509 0.771 1.00 0.00 O ATOM 931 CB LEU A 67 4.797 5.152 -1.705 1.00 0.00 C ATOM 932 CG LEU A 67 4.419 5.971 -2.940 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.860 5.072 -4.044 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.451 7.098 -2.575 1.00 0.00 C ATOM 0 H LEU A 67 6.376 7.071 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 67 4.212 6.472 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.657 4.531 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.972 4.477 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 67 5.324 6.437 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.599 5.679 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.612 4.336 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.970 4.559 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.198 7.665 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.543 6.673 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.921 7.760 -1.847 1.00 0.00 H new ATOM 945 N ARG A 68 4.624 5.016 1.717 1.00 0.00 N ATOM 946 CA ARG A 68 4.866 4.227 2.913 1.00 0.00 C ATOM 947 C ARG A 68 3.875 3.064 2.989 1.00 0.00 C ATOM 948 O ARG A 68 4.269 1.924 3.229 1.00 0.00 O ATOM 949 CB ARG A 68 4.735 5.083 4.174 1.00 0.00 C ATOM 950 CG ARG A 68 6.086 5.237 4.874 1.00 0.00 C ATOM 951 CD ARG A 68 5.957 4.979 6.377 1.00 0.00 C ATOM 952 NE ARG A 68 6.926 5.816 7.120 1.00 0.00 N ATOM 953 CZ ARG A 68 8.232 5.510 7.268 1.00 0.00 C ATOM 954 NH1 ARG A 68 8.738 4.382 6.726 1.00 0.00 N ATOM 955 NH2 ARG A 68 9.007 6.330 7.953 1.00 0.00 N ATOM 0 H ARG A 68 3.723 5.494 1.696 1.00 0.00 H new ATOM 0 HA ARG A 68 5.883 3.840 2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.343 6.066 3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.018 4.625 4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.805 4.541 4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.474 6.241 4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.943 5.203 6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.136 3.925 6.590 1.00 0.00 H new ATOM 0 HE ARG A 68 6.585 6.678 7.547 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.132 3.753 6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.726 4.159 6.843 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.616 7.179 8.361 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.996 6.114 8.075 1.00 0.00 H new ATOM 964 N THR A 69 2.608 3.392 2.782 1.00 0.00 N ATOM 965 CA THR A 69 1.558 2.389 2.825 1.00 0.00 C ATOM 966 C THR A 69 0.740 2.417 1.532 1.00 0.00 C ATOM 967 O THR A 69 0.876 3.338 0.728 1.00 0.00 O ATOM 968 CB THR A 69 0.719 2.635 4.080 1.00 0.00 C ATOM 969 OG1 THR A 69 0.250 3.973 3.927 1.00 0.00 O ATOM 970 CG2 THR A 69 1.568 2.681 5.352 1.00 0.00 C ATOM 0 H THR A 69 2.285 4.339 2.584 1.00 0.00 H new ATOM 0 HA THR A 69 1.975 1.384 2.887 1.00 0.00 H new ATOM 0 HB THR A 69 -0.033 1.851 4.174 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.305 4.215 4.697 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.924 2.858 6.213 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.088 1.731 5.477 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.298 3.487 5.273 1.00 0.00 H new ATOM 978 N VAL A 70 -0.090 1.396 1.372 1.00 0.00 N ATOM 979 CA VAL A 70 -0.929 1.292 0.191 1.00 0.00 C ATOM 980 C VAL A 70 -1.686 2.608 -0.009 1.00 0.00 C ATOM 981 O VAL A 70 -1.776 3.112 -1.127 1.00 0.00 O ATOM 982 CB VAL A 70 -1.857 0.081 0.313 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.558 -0.208 -1.016 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.092 -1.147 0.808 1.00 0.00 C ATOM 0 H VAL A 70 -0.199 0.634 2.041 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.319 1.129 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.623 0.318 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.211 -1.073 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.151 0.658 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.812 -0.415 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.774 -1.994 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.295 -1.387 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.661 -0.937 1.787 1.00 0.00 H new ATOM 994 N GLY A 71 -2.211 3.125 1.092 1.00 0.00 N ATOM 995 CA GLY A 71 -2.956 4.371 1.052 1.00 0.00 C ATOM 996 C GLY A 71 -2.124 5.487 0.417 1.00 0.00 C ATOM 997 O GLY A 71 -2.665 6.365 -0.254 1.00 0.00 O ATOM 0 H GLY A 71 -2.135 2.703 2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.876 4.231 0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.245 4.658 2.063 1.00 0.00 H new ATOM 1001 N ASP A 72 -0.822 5.418 0.653 1.00 0.00 N ATOM 1002 CA ASP A 72 0.090 6.413 0.114 1.00 0.00 C ATOM 1003 C ASP A 72 0.488 6.015 -1.308 1.00 0.00 C ATOM 1004 O ASP A 72 0.787 6.873 -2.137 1.00 0.00 O ATOM 1005 CB ASP A 72 1.365 6.503 0.954 1.00 0.00 C ATOM 1006 CG ASP A 72 1.957 7.908 1.081 1.00 0.00 C ATOM 1007 OD1 ASP A 72 1.391 8.888 0.574 1.00 0.00 O ATOM 1008 OD2 ASP A 72 3.063 7.976 1.742 1.00 0.00 O ATOM 0 H ASP A 72 -0.377 4.689 1.210 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.418 7.378 0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.152 6.123 1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.117 5.846 0.517 1.00 0.00 H new ATOM 1013 N VAL A 73 0.478 4.711 -1.549 1.00 0.00 N ATOM 1014 CA VAL A 73 0.834 4.190 -2.857 1.00 0.00 C ATOM 1015 C VAL A 73 -0.385 4.261 -3.780 1.00 0.00 C ATOM 1016 O VAL A 73 -0.260 4.109 -4.993 1.00 0.00 O ATOM 1017 CB VAL A 73 1.397 2.773 -2.720 1.00 0.00 C ATOM 1018 CG1 VAL A 73 2.024 2.303 -4.034 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.405 2.694 -1.571 1.00 0.00 C ATOM 0 H VAL A 73 0.229 4.001 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 73 1.619 4.797 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 73 0.569 2.103 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.416 1.294 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.268 2.304 -4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.835 2.976 -4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.790 1.677 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.229 3.381 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.914 2.967 -0.637 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.537 4.493 -3.167 1.00 0.00 N ATOM 1030 CA VAL A 74 -2.777 4.586 -3.918 1.00 0.00 C ATOM 1031 C VAL A 74 -3.101 6.059 -4.180 1.00 0.00 C ATOM 1032 O VAL A 74 -3.351 6.450 -5.318 1.00 0.00 O ATOM 1033 CB VAL A 74 -3.895 3.852 -3.175 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.229 3.996 -3.911 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.540 2.378 -2.968 1.00 0.00 C ATOM 0 H VAL A 74 -1.637 4.619 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.673 4.098 -4.887 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.003 4.312 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.007 3.465 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.492 5.051 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.140 3.574 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.351 1.879 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.392 1.900 -3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.624 2.303 -2.382 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.084 6.835 -3.106 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.372 8.256 -3.205 1.00 0.00 C ATOM 1047 C ALA A 75 -2.637 8.838 -4.414 1.00 0.00 C ATOM 1048 O ALA A 75 -3.261 9.400 -5.312 1.00 0.00 O ATOM 1049 CB ALA A 75 -2.983 8.948 -1.897 1.00 0.00 C ATOM 0 H ALA A 75 -2.875 6.507 -2.163 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.439 8.422 -3.357 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.199 10.014 -1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.554 8.518 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.918 8.805 -1.713 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.321 8.683 -4.397 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.495 9.186 -5.481 1.00 0.00 C ATOM 1057 C TYR A 76 -1.088 8.814 -6.841 1.00 0.00 C ATOM 1058 O TYR A 76 -0.838 9.489 -7.837 1.00 0.00 O ATOM 1059 CB TYR A 76 0.865 8.502 -5.326 1.00 0.00 C ATOM 1060 CG TYR A 76 1.954 9.068 -6.240 1.00 0.00 C ATOM 1061 CD1 TYR A 76 2.002 10.423 -6.499 1.00 0.00 C ATOM 1062 CD2 TYR A 76 2.889 8.224 -6.805 1.00 0.00 C ATOM 1063 CE1 TYR A 76 3.027 10.956 -7.359 1.00 0.00 C ATOM 1064 CE2 TYR A 76 3.913 8.758 -7.664 1.00 0.00 C ATOM 1065 CZ TYR A 76 3.932 10.097 -7.899 1.00 0.00 C ATOM 1066 OH TYR A 76 4.900 10.601 -8.711 1.00 0.00 O ATOM 0 H TYR A 76 -0.807 8.216 -3.650 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.424 10.273 -5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.191 8.594 -4.290 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.750 7.438 -5.531 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.271 11.084 -6.057 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.852 7.164 -6.603 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.076 12.014 -7.570 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.651 8.109 -8.112 1.00 0.00 H new ATOM 0 HH TYR A 76 5.572 11.065 -8.170 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.864 7.739 -6.839 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.494 7.269 -8.061 1.00 0.00 C ATOM 1077 C ILE A 77 -3.740 8.111 -8.343 1.00 0.00 C ATOM 1078 O ILE A 77 -3.725 8.972 -9.222 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.773 5.767 -7.975 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.606 5.028 -7.317 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -3.112 5.193 -9.353 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.801 3.513 -7.399 1.00 0.00 C ATOM 0 H ILE A 77 -2.070 7.181 -6.011 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.823 7.397 -8.910 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.646 5.618 -7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.673 5.305 -7.807 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.521 5.331 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.306 4.124 -9.264 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.998 5.691 -9.747 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.274 5.355 -10.031 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.958 3.011 -6.924 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.723 3.237 -6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.862 3.210 -8.444 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.788 7.834 -7.580 1.00 0.00 N ATOM 1094 CA GLN A 78 -6.039 8.556 -7.738 1.00 0.00 C ATOM 1095 C GLN A 78 -5.799 10.063 -7.633 1.00 0.00 C ATOM 1096 O GLN A 78 -6.208 10.823 -8.510 1.00 0.00 O ATOM 1097 CB GLN A 78 -7.072 8.093 -6.709 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.339 6.592 -6.838 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.800 6.000 -5.504 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -8.016 6.698 -4.527 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -7.937 4.677 -5.518 1.00 0.00 N ATOM 0 H GLN A 78 -4.796 7.120 -6.851 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.438 8.340 -8.729 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.715 8.318 -5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -8.002 8.645 -6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.100 6.418 -7.599 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.433 6.085 -7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.740 4.153 -6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.240 4.187 -4.676 1.00 0.00 H new ATOM 1108 N LYS A 79 -5.138 10.452 -6.553 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.839 11.855 -6.321 1.00 0.00 C ATOM 1110 C LYS A 79 -4.466 12.516 -7.649 1.00 0.00 C ATOM 1111 O LYS A 79 -4.984 13.582 -7.983 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.768 12.003 -5.239 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.253 11.427 -3.906 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.249 12.371 -3.231 1.00 0.00 C ATOM 1115 CE LYS A 79 -4.537 13.596 -2.652 1.00 0.00 C ATOM 1116 NZ LYS A 79 -5.127 13.970 -1.348 1.00 0.00 N ATOM 0 H LYS A 79 -4.801 9.819 -5.828 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.718 12.375 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.858 11.491 -5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.515 13.056 -5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.722 10.457 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.401 11.259 -3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.000 12.690 -3.954 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.775 11.842 -2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.475 13.383 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.616 14.432 -3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.632 14.803 -0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.135 14.194 -1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.029 13.177 -0.682 1.00 0.00 H new