USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 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 52 GLN : amide:sc=-0.00252 X(o=-0.26,f=-0.26) USER MOD Set 1.2: A 56 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.3!) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0618 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 43:sc= 0.636 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= -0.0142 (180deg=-0.0142) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 167:sc= 0.174 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.639 USER MOD Single : A 28 GLN : amide:sc= -7.06! C(o=-7.1!,f=-8.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -169:sc= -3.11! (180deg=-3.28!) USER MOD Single : A 44 GLN : amide:sc= -0.179 K(o=-0.18,f=-0.95) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 96:sc= -0.32 USER MOD Single : A 58 THR OG1 : rot -125:sc= 0.34! USER MOD Single : A 63 GLN : amide:sc= -2.07! C(o=-2.1!,f=-2.2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.76) USER MOD Single : A 72 ASN : amide:sc= 0.797 K(o=0.8,f=-0.045) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.721 22.142 5.266 1.00 0.00 N ATOM 2 CA GLY A 1 18.408 21.550 5.456 1.00 0.00 C ATOM 3 C GLY A 1 18.310 20.194 4.755 1.00 0.00 C ATOM 4 O GLY A 1 19.321 19.525 4.547 1.00 0.00 O ATOM 0 H1 GLY A 1 20.037 22.579 6.155 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.397 21.404 4.984 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.670 22.868 4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.211 21.428 6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.643 22.221 5.066 1.00 0.00 H new ATOM 8 N SER A 2 17.085 19.829 4.410 1.00 0.00 N ATOM 9 CA SER A 2 16.842 18.565 3.736 1.00 0.00 C ATOM 10 C SER A 2 15.676 18.709 2.756 1.00 0.00 C ATOM 11 O SER A 2 15.833 18.473 1.559 1.00 0.00 O ATOM 12 CB SER A 2 16.553 17.450 4.744 1.00 0.00 C ATOM 13 OG SER A 2 16.997 16.179 4.276 1.00 0.00 O ATOM 0 H SER A 2 16.249 20.387 4.585 1.00 0.00 H new ATOM 0 HA SER A 2 17.741 18.295 3.183 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.044 17.680 5.690 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.482 17.409 4.943 1.00 0.00 H new ATOM 0 HG SER A 2 16.796 15.495 4.948 1.00 0.00 H new ATOM 19 N SER A 3 14.531 19.096 3.301 1.00 0.00 N ATOM 20 CA SER A 3 13.339 19.274 2.490 1.00 0.00 C ATOM 21 C SER A 3 12.892 17.929 1.914 1.00 0.00 C ATOM 22 O SER A 3 13.719 17.060 1.643 1.00 0.00 O ATOM 23 CB SER A 3 13.586 20.279 1.362 1.00 0.00 C ATOM 24 OG SER A 3 12.396 20.973 0.996 1.00 0.00 O ATOM 0 H SER A 3 14.404 19.291 4.294 1.00 0.00 H new ATOM 0 HA SER A 3 12.548 19.670 3.127 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.343 20.998 1.676 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.984 19.757 0.492 1.00 0.00 H new ATOM 0 HG SER A 3 12.595 21.606 0.275 1.00 0.00 H new ATOM 30 N GLY A 4 11.584 17.800 1.744 1.00 0.00 N ATOM 31 CA GLY A 4 11.017 16.576 1.205 1.00 0.00 C ATOM 32 C GLY A 4 9.493 16.571 1.343 1.00 0.00 C ATOM 33 O GLY A 4 8.957 16.071 2.330 1.00 0.00 O ATOM 0 H GLY A 4 10.901 18.523 1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.291 16.476 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.436 15.716 1.727 1.00 0.00 H new ATOM 37 N SER A 5 8.838 17.133 0.337 1.00 0.00 N ATOM 38 CA SER A 5 7.387 17.200 0.334 1.00 0.00 C ATOM 39 C SER A 5 6.866 17.188 -1.105 1.00 0.00 C ATOM 40 O SER A 5 7.523 17.699 -2.011 1.00 0.00 O ATOM 41 CB SER A 5 6.891 18.448 1.067 1.00 0.00 C ATOM 42 OG SER A 5 5.965 18.127 2.102 1.00 0.00 O ATOM 0 H SER A 5 9.286 17.546 -0.481 1.00 0.00 H new ATOM 0 HA SER A 5 7.003 16.326 0.861 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.741 18.980 1.494 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.418 19.123 0.354 1.00 0.00 H new ATOM 0 HG SER A 5 5.673 18.950 2.547 1.00 0.00 H new ATOM 48 N SER A 6 5.691 16.599 -1.270 1.00 0.00 N ATOM 49 CA SER A 6 5.074 16.513 -2.583 1.00 0.00 C ATOM 50 C SER A 6 3.551 16.468 -2.444 1.00 0.00 C ATOM 51 O SER A 6 2.850 17.323 -2.982 1.00 0.00 O ATOM 52 CB SER A 6 5.574 15.286 -3.347 1.00 0.00 C ATOM 53 OG SER A 6 5.997 15.614 -4.668 1.00 0.00 O ATOM 0 H SER A 6 5.149 16.176 -0.516 1.00 0.00 H new ATOM 0 HA SER A 6 5.354 17.400 -3.151 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.403 14.833 -2.803 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.780 14.541 -3.395 1.00 0.00 H new ATOM 0 HG SER A 6 6.311 14.804 -5.122 1.00 0.00 H new ATOM 59 N GLY A 7 3.085 15.462 -1.720 1.00 0.00 N ATOM 60 CA GLY A 7 1.658 15.294 -1.503 1.00 0.00 C ATOM 61 C GLY A 7 1.283 13.812 -1.440 1.00 0.00 C ATOM 62 O GLY A 7 0.960 13.205 -2.460 1.00 0.00 O ATOM 0 H GLY A 7 3.670 14.754 -1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.367 15.786 -0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.105 15.779 -2.307 1.00 0.00 H new ATOM 66 N SER A 8 1.340 13.271 -0.231 1.00 0.00 N ATOM 67 CA SER A 8 1.011 11.872 -0.021 1.00 0.00 C ATOM 68 C SER A 8 0.485 11.666 1.401 1.00 0.00 C ATOM 69 O SER A 8 1.265 11.524 2.341 1.00 0.00 O ATOM 70 CB SER A 8 2.226 10.977 -0.272 1.00 0.00 C ATOM 71 OG SER A 8 3.332 11.333 0.553 1.00 0.00 O ATOM 0 H SER A 8 1.609 13.777 0.613 1.00 0.00 H new ATOM 0 HA SER A 8 0.234 11.593 -0.733 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.955 9.938 -0.086 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.518 11.048 -1.320 1.00 0.00 H new ATOM 0 HG SER A 8 3.017 11.511 1.464 1.00 0.00 H new ATOM 77 N SER A 9 -0.836 11.656 1.513 1.00 0.00 N ATOM 78 CA SER A 9 -1.475 11.469 2.804 1.00 0.00 C ATOM 79 C SER A 9 -2.860 10.847 2.617 1.00 0.00 C ATOM 80 O SER A 9 -3.869 11.551 2.638 1.00 0.00 O ATOM 81 CB SER A 9 -1.587 12.795 3.560 1.00 0.00 C ATOM 82 OG SER A 9 -1.765 12.598 4.960 1.00 0.00 O ATOM 0 H SER A 9 -1.480 11.774 0.731 1.00 0.00 H new ATOM 0 HA SER A 9 -0.857 10.794 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.688 13.387 3.389 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.426 13.368 3.165 1.00 0.00 H new ATOM 0 HG SER A 9 -1.831 13.468 5.407 1.00 0.00 H new ATOM 88 N ALA A 10 -2.865 9.534 2.438 1.00 0.00 N ATOM 89 CA ALA A 10 -4.110 8.809 2.247 1.00 0.00 C ATOM 90 C ALA A 10 -4.819 9.341 1.000 1.00 0.00 C ATOM 91 O ALA A 10 -5.561 10.320 1.073 1.00 0.00 O ATOM 92 CB ALA A 10 -4.971 8.934 3.505 1.00 0.00 C ATOM 0 H ALA A 10 -2.027 8.953 2.421 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.916 7.748 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.905 8.390 3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.434 8.516 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.188 9.985 3.694 1.00 0.00 H new ATOM 98 N GLU A 11 -4.565 8.673 -0.116 1.00 0.00 N ATOM 99 CA GLU A 11 -5.170 9.067 -1.377 1.00 0.00 C ATOM 100 C GLU A 11 -4.966 7.973 -2.428 1.00 0.00 C ATOM 101 O GLU A 11 -4.061 7.149 -2.303 1.00 0.00 O ATOM 102 CB GLU A 11 -4.606 10.404 -1.862 1.00 0.00 C ATOM 103 CG GLU A 11 -3.118 10.283 -2.197 1.00 0.00 C ATOM 104 CD GLU A 11 -2.720 11.277 -3.290 1.00 0.00 C ATOM 105 OE1 GLU A 11 -3.196 12.430 -3.210 1.00 0.00 O ATOM 106 OE2 GLU A 11 -1.949 10.860 -4.182 1.00 0.00 O ATOM 0 H GLU A 11 -3.949 7.862 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.241 9.198 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.155 10.736 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.749 11.163 -1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.524 10.465 -1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.897 9.268 -2.526 1.00 0.00 H new ATOM 113 N ALA A 12 -5.821 8.001 -3.439 1.00 0.00 N ATOM 114 CA ALA A 12 -5.746 7.022 -4.510 1.00 0.00 C ATOM 115 C ALA A 12 -5.914 5.619 -3.925 1.00 0.00 C ATOM 116 O ALA A 12 -4.991 4.807 -3.976 1.00 0.00 O ATOM 117 CB ALA A 12 -4.423 7.187 -5.261 1.00 0.00 C ATOM 0 H ALA A 12 -6.570 8.686 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.550 7.177 -5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.367 6.453 -6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.366 8.191 -5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.592 7.035 -4.572 1.00 0.00 H new ATOM 123 N GLY A 13 -7.099 5.376 -3.384 1.00 0.00 N ATOM 124 CA GLY A 13 -7.399 4.084 -2.790 1.00 0.00 C ATOM 125 C GLY A 13 -7.657 4.218 -1.288 1.00 0.00 C ATOM 126 O GLY A 13 -6.735 4.096 -0.482 1.00 0.00 O ATOM 0 H GLY A 13 -7.862 6.051 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.273 3.651 -3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.568 3.400 -2.960 1.00 0.00 H new ATOM 130 N GLY A 14 -8.915 4.467 -0.956 1.00 0.00 N ATOM 131 CA GLY A 14 -9.306 4.618 0.436 1.00 0.00 C ATOM 132 C GLY A 14 -10.829 4.585 0.584 1.00 0.00 C ATOM 133 O GLY A 14 -11.513 5.541 0.222 1.00 0.00 O ATOM 0 H GLY A 14 -9.677 4.568 -1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.862 3.820 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.919 5.559 0.826 1.00 0.00 H new ATOM 137 N GLY A 15 -11.315 3.473 1.117 1.00 0.00 N ATOM 138 CA GLY A 15 -12.744 3.303 1.318 1.00 0.00 C ATOM 139 C GLY A 15 -13.059 1.905 1.855 1.00 0.00 C ATOM 140 O GLY A 15 -12.200 1.257 2.451 1.00 0.00 O ATOM 0 H GLY A 15 -10.745 2.682 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -13.109 4.056 2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.269 3.462 0.376 1.00 0.00 H new ATOM 144 N ILE A 16 -14.293 1.481 1.623 1.00 0.00 N ATOM 145 CA ILE A 16 -14.732 0.172 2.076 1.00 0.00 C ATOM 146 C ILE A 16 -14.732 -0.798 0.893 1.00 0.00 C ATOM 147 O ILE A 16 -15.532 -0.656 -0.030 1.00 0.00 O ATOM 148 CB ILE A 16 -16.083 0.276 2.787 1.00 0.00 C ATOM 149 CG1 ILE A 16 -16.380 -0.993 3.587 1.00 0.00 C ATOM 150 CG2 ILE A 16 -17.200 0.603 1.795 1.00 0.00 C ATOM 151 CD1 ILE A 16 -16.775 -0.654 5.026 1.00 0.00 C ATOM 0 H ILE A 16 -15.002 2.021 1.127 1.00 0.00 H new ATOM 0 HA ILE A 16 -14.039 -0.227 2.816 1.00 0.00 H new ATOM 0 HB ILE A 16 -16.033 1.100 3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -17.185 -1.550 3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.502 -1.639 3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -18.150 0.671 2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -16.987 1.555 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -17.261 -0.184 1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -16.981 -1.574 5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -15.959 -0.118 5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -17.667 -0.028 5.020 1.00 0.00 H new ATOM 163 N ARG A 17 -13.826 -1.763 0.959 1.00 0.00 N ATOM 164 CA ARG A 17 -13.712 -2.756 -0.095 1.00 0.00 C ATOM 165 C ARG A 17 -13.308 -2.089 -1.411 1.00 0.00 C ATOM 166 O ARG A 17 -13.738 -0.974 -1.704 1.00 0.00 O ATOM 167 CB ARG A 17 -15.033 -3.502 -0.294 1.00 0.00 C ATOM 168 CG ARG A 17 -14.844 -5.009 -0.110 1.00 0.00 C ATOM 169 CD ARG A 17 -16.194 -5.720 0.010 1.00 0.00 C ATOM 170 NE ARG A 17 -16.688 -5.635 1.403 1.00 0.00 N ATOM 171 CZ ARG A 17 -17.699 -6.370 1.887 1.00 0.00 C ATOM 172 NH1 ARG A 17 -18.329 -7.248 1.095 1.00 0.00 N ATOM 173 NH2 ARG A 17 -18.080 -6.226 3.164 1.00 0.00 N ATOM 0 H ARG A 17 -13.164 -1.878 1.726 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.946 -3.471 0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.773 -3.135 0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.422 -3.300 -1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.289 -5.415 -0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.249 -5.198 0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.915 -5.265 -0.669 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.092 -6.764 -0.286 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.231 -4.976 2.033 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.039 -7.357 0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -19.098 -7.807 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.601 -5.557 3.767 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.849 -6.785 3.533 1.00 0.00 H new ATOM 187 N LYS A 18 -12.487 -2.800 -2.170 1.00 0.00 N ATOM 188 CA LYS A 18 -12.020 -2.290 -3.449 1.00 0.00 C ATOM 189 C LYS A 18 -13.199 -2.209 -4.421 1.00 0.00 C ATOM 190 O LYS A 18 -14.183 -2.931 -4.271 1.00 0.00 O ATOM 191 CB LYS A 18 -10.853 -3.132 -3.967 1.00 0.00 C ATOM 192 CG LYS A 18 -11.350 -4.447 -4.571 1.00 0.00 C ATOM 193 CD LYS A 18 -11.723 -4.267 -6.044 1.00 0.00 C ATOM 194 CE LYS A 18 -10.565 -4.674 -6.957 1.00 0.00 C ATOM 195 NZ LYS A 18 -10.369 -3.669 -8.025 1.00 0.00 N ATOM 0 H LYS A 18 -12.133 -3.725 -1.924 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.628 -1.279 -3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.299 -2.569 -4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.161 -3.341 -3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.576 -5.209 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.216 -4.803 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.602 -4.868 -6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.990 -3.227 -6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.651 -4.774 -6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.769 -5.649 -7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.579 -3.961 -8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.236 -3.593 -8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.153 -2.746 -7.598 1.00 0.00 H new ATOM 209 N ARG A 19 -13.059 -1.324 -5.397 1.00 0.00 N ATOM 210 CA ARG A 19 -14.100 -1.138 -6.394 1.00 0.00 C ATOM 211 C ARG A 19 -13.535 -0.426 -7.625 1.00 0.00 C ATOM 212 O ARG A 19 -14.124 0.537 -8.113 1.00 0.00 O ATOM 213 CB ARG A 19 -15.264 -0.322 -5.830 1.00 0.00 C ATOM 214 CG ARG A 19 -16.540 -0.554 -6.641 1.00 0.00 C ATOM 215 CD ARG A 19 -17.301 -1.779 -6.128 1.00 0.00 C ATOM 216 NE ARG A 19 -16.714 -3.013 -6.695 1.00 0.00 N ATOM 217 CZ ARG A 19 -16.861 -3.397 -7.971 1.00 0.00 C ATOM 218 NH1 ARG A 19 -17.576 -2.646 -8.818 1.00 0.00 N ATOM 219 NH2 ARG A 19 -16.292 -4.533 -8.398 1.00 0.00 N ATOM 0 H ARG A 19 -12.240 -0.728 -5.519 1.00 0.00 H new ATOM 0 HA ARG A 19 -14.467 -2.124 -6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -15.435 -0.597 -4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.009 0.738 -5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -17.179 0.327 -6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -16.287 -0.693 -7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -17.259 -1.814 -5.039 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -18.353 -1.706 -6.405 1.00 0.00 H new ATOM 0 HE ARG A 19 -16.163 -3.609 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -18.009 -1.782 -8.492 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -17.688 -2.938 -9.789 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.748 -5.105 -7.752 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.403 -4.826 -9.369 1.00 0.00 H new ATOM 233 N HIS A 20 -12.400 -0.927 -8.090 1.00 0.00 N ATOM 234 CA HIS A 20 -11.750 -0.351 -9.254 1.00 0.00 C ATOM 235 C HIS A 20 -11.503 1.141 -9.019 1.00 0.00 C ATOM 236 O HIS A 20 -11.978 1.704 -8.034 1.00 0.00 O ATOM 237 CB HIS A 20 -12.562 -0.624 -10.522 1.00 0.00 C ATOM 238 CG HIS A 20 -11.769 -1.273 -11.631 1.00 0.00 C ATOM 239 ND1 HIS A 20 -11.133 -0.547 -12.622 1.00 0.00 N ATOM 240 CD2 HIS A 20 -11.516 -2.587 -11.894 1.00 0.00 C ATOM 241 CE1 HIS A 20 -10.528 -1.395 -13.440 1.00 0.00 C ATOM 242 NE2 HIS A 20 -10.767 -2.660 -12.988 1.00 0.00 N ATOM 0 H HIS A 20 -11.914 -1.725 -7.681 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.780 -0.826 -9.404 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -13.406 -1.266 -10.269 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -12.974 0.317 -10.887 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -11.866 -3.426 -11.311 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -9.947 -1.131 -14.312 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -10.427 -3.519 -13.419 1.00 0.00 H new ATOM 250 N ARG A 21 -10.761 1.738 -9.939 1.00 0.00 N ATOM 251 CA ARG A 21 -10.446 3.153 -9.844 1.00 0.00 C ATOM 252 C ARG A 21 -9.237 3.367 -8.931 1.00 0.00 C ATOM 253 O ARG A 21 -9.382 3.830 -7.801 1.00 0.00 O ATOM 254 CB ARG A 21 -11.635 3.947 -9.299 1.00 0.00 C ATOM 255 CG ARG A 21 -11.552 5.416 -9.718 1.00 0.00 C ATOM 256 CD ARG A 21 -12.483 5.703 -10.898 1.00 0.00 C ATOM 257 NE ARG A 21 -11.781 6.526 -11.908 1.00 0.00 N ATOM 258 CZ ARG A 21 -12.270 6.802 -13.124 1.00 0.00 C ATOM 259 NH1 ARG A 21 -13.467 6.321 -13.489 1.00 0.00 N ATOM 260 NH2 ARG A 21 -11.564 7.557 -13.976 1.00 0.00 N ATOM 0 H ARG A 21 -10.368 1.268 -10.754 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.216 3.510 -10.848 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.565 3.513 -9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.656 3.876 -8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.820 6.054 -8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.526 5.663 -9.991 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.814 4.766 -11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.375 6.223 -10.550 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.867 6.907 -11.663 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.005 5.745 -12.841 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.840 6.531 -14.415 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.653 7.922 -13.699 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.938 7.766 -14.902 1.00 0.00 H new ATOM 274 N THR A 22 -8.070 3.020 -9.456 1.00 0.00 N ATOM 275 CA THR A 22 -6.837 3.169 -8.702 1.00 0.00 C ATOM 276 C THR A 22 -5.931 4.211 -9.362 1.00 0.00 C ATOM 277 O THR A 22 -6.066 4.491 -10.552 1.00 0.00 O ATOM 278 CB THR A 22 -6.188 1.789 -8.581 1.00 0.00 C ATOM 279 OG1 THR A 22 -5.558 1.589 -9.844 1.00 0.00 O ATOM 280 CG2 THR A 22 -7.219 0.662 -8.497 1.00 0.00 C ATOM 0 H THR A 22 -7.953 2.636 -10.394 1.00 0.00 H new ATOM 0 HA THR A 22 -7.030 3.543 -7.697 1.00 0.00 H new ATOM 0 HB THR A 22 -5.551 1.765 -7.697 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.943 0.828 -9.786 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.705 -0.296 -8.412 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.852 0.813 -7.623 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.835 0.665 -9.396 1.00 0.00 H new ATOM 288 N LYS A 23 -5.028 4.755 -8.560 1.00 0.00 N ATOM 289 CA LYS A 23 -4.100 5.760 -9.051 1.00 0.00 C ATOM 290 C LYS A 23 -2.752 5.589 -8.350 1.00 0.00 C ATOM 291 O LYS A 23 -2.333 6.454 -7.581 1.00 0.00 O ATOM 292 CB LYS A 23 -4.698 7.160 -8.901 1.00 0.00 C ATOM 293 CG LYS A 23 -4.892 7.823 -10.266 1.00 0.00 C ATOM 294 CD LYS A 23 -3.575 8.405 -10.785 1.00 0.00 C ATOM 295 CE LYS A 23 -3.347 9.816 -10.241 1.00 0.00 C ATOM 296 NZ LYS A 23 -1.980 9.943 -9.687 1.00 0.00 N ATOM 0 H LYS A 23 -4.919 4.519 -7.574 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.924 5.627 -10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.656 7.097 -8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.043 7.775 -8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.276 7.092 -10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.637 8.614 -10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.747 7.760 -10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.588 8.429 -11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.493 10.547 -11.036 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.082 10.037 -9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.842 10.907 -9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.854 9.259 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.283 9.753 -10.435 1.00 0.00 H new ATOM 310 N PHE A 24 -2.109 4.467 -8.639 1.00 0.00 N ATOM 311 CA PHE A 24 -0.816 4.171 -8.045 1.00 0.00 C ATOM 312 C PHE A 24 0.278 5.059 -8.641 1.00 0.00 C ATOM 313 O PHE A 24 0.564 4.981 -9.835 1.00 0.00 O ATOM 314 CB PHE A 24 -0.500 2.709 -8.366 1.00 0.00 C ATOM 315 CG PHE A 24 -1.710 1.777 -8.278 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.297 1.536 -7.075 1.00 0.00 C ATOM 317 CD2 PHE A 24 -2.200 1.190 -9.403 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.420 0.671 -6.993 1.00 0.00 C ATOM 319 CE2 PHE A 24 -3.323 0.325 -9.322 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.910 0.084 -8.119 1.00 0.00 C ATOM 0 H PHE A 24 -2.459 3.752 -9.277 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.850 4.354 -6.971 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.082 2.651 -9.371 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.269 2.355 -7.679 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.909 2.003 -6.182 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.735 1.382 -10.358 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.885 0.479 -6.037 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.711 -0.141 -10.215 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.765 -0.573 -8.057 1.00 0.00 H new ATOM 330 N THR A 25 0.859 5.884 -7.783 1.00 0.00 N ATOM 331 CA THR A 25 1.915 6.787 -8.210 1.00 0.00 C ATOM 332 C THR A 25 3.277 6.097 -8.114 1.00 0.00 C ATOM 333 O THR A 25 3.388 5.008 -7.553 1.00 0.00 O ATOM 334 CB THR A 25 1.818 8.060 -7.368 1.00 0.00 C ATOM 335 OG1 THR A 25 3.111 8.649 -7.478 1.00 0.00 O ATOM 336 CG2 THR A 25 1.670 7.765 -5.874 1.00 0.00 C ATOM 0 H THR A 25 0.619 5.946 -6.794 1.00 0.00 H new ATOM 0 HA THR A 25 1.799 7.064 -9.258 1.00 0.00 H new ATOM 0 HB THR A 25 0.969 8.654 -7.707 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.136 9.482 -6.962 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.606 8.703 -5.323 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.764 7.182 -5.706 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.535 7.199 -5.527 1.00 0.00 H new ATOM 344 N ALA A 26 4.281 6.760 -8.669 1.00 0.00 N ATOM 345 CA ALA A 26 5.632 6.225 -8.653 1.00 0.00 C ATOM 346 C ALA A 26 5.894 5.555 -7.303 1.00 0.00 C ATOM 347 O ALA A 26 6.531 4.504 -7.240 1.00 0.00 O ATOM 348 CB ALA A 26 6.629 7.346 -8.951 1.00 0.00 C ATOM 0 H ALA A 26 4.186 7.663 -9.133 1.00 0.00 H new ATOM 0 HA ALA A 26 5.754 5.467 -9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.642 6.944 -8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.418 7.769 -9.933 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.538 8.125 -8.194 1.00 0.00 H new ATOM 354 N GLU A 27 5.389 6.189 -6.255 1.00 0.00 N ATOM 355 CA GLU A 27 5.560 5.668 -4.910 1.00 0.00 C ATOM 356 C GLU A 27 4.864 4.312 -4.773 1.00 0.00 C ATOM 357 O GLU A 27 5.523 3.280 -4.664 1.00 0.00 O ATOM 358 CB GLU A 27 5.040 6.659 -3.867 1.00 0.00 C ATOM 359 CG GLU A 27 6.039 6.822 -2.719 1.00 0.00 C ATOM 360 CD GLU A 27 5.491 7.763 -1.645 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.346 7.518 -1.207 1.00 0.00 O ATOM 362 OE2 GLU A 27 6.229 8.706 -1.286 1.00 0.00 O ATOM 0 H GLU A 27 4.861 7.060 -6.311 1.00 0.00 H new ATOM 0 HA GLU A 27 6.626 5.527 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.860 7.626 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.084 6.312 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.255 5.848 -2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.981 7.213 -3.104 1.00 0.00 H new ATOM 369 N GLN A 28 3.540 4.360 -4.784 1.00 0.00 N ATOM 370 CA GLN A 28 2.747 3.148 -4.663 1.00 0.00 C ATOM 371 C GLN A 28 3.237 2.091 -5.655 1.00 0.00 C ATOM 372 O GLN A 28 3.402 0.927 -5.295 1.00 0.00 O ATOM 373 CB GLN A 28 1.259 3.444 -4.867 1.00 0.00 C ATOM 374 CG GLN A 28 0.765 4.489 -3.864 1.00 0.00 C ATOM 375 CD GLN A 28 0.780 3.931 -2.439 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.233 3.528 -1.892 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.983 3.931 -1.871 1.00 0.00 N ATOM 0 H GLN A 28 2.997 5.218 -4.875 1.00 0.00 H new ATOM 0 HA GLN A 28 2.871 2.755 -3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.092 3.802 -5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.683 2.526 -4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.396 5.376 -3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.246 4.800 -4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.790 4.283 -2.386 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.098 3.579 -0.921 1.00 0.00 H new ATOM 386 N LYS A 29 3.455 2.535 -6.884 1.00 0.00 N ATOM 387 CA LYS A 29 3.923 1.642 -7.930 1.00 0.00 C ATOM 388 C LYS A 29 5.213 0.959 -7.472 1.00 0.00 C ATOM 389 O LYS A 29 5.263 -0.264 -7.351 1.00 0.00 O ATOM 390 CB LYS A 29 4.063 2.396 -9.255 1.00 0.00 C ATOM 391 CG LYS A 29 3.181 1.770 -10.337 1.00 0.00 C ATOM 392 CD LYS A 29 3.638 2.199 -11.733 1.00 0.00 C ATOM 393 CE LYS A 29 3.501 3.712 -11.913 1.00 0.00 C ATOM 394 NZ LYS A 29 2.945 4.026 -13.248 1.00 0.00 N ATOM 0 H LYS A 29 3.316 3.502 -7.179 1.00 0.00 H new ATOM 0 HA LYS A 29 3.193 0.854 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.786 3.441 -9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.104 2.383 -9.577 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.217 0.684 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.144 2.067 -10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.676 1.903 -11.887 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.044 1.684 -12.488 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.853 4.119 -11.137 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.475 4.188 -11.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.858 5.057 -13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.579 3.654 -13.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.007 3.588 -13.345 1.00 0.00 H new ATOM 408 N GLU A 30 6.225 1.779 -7.230 1.00 0.00 N ATOM 409 CA GLU A 30 7.512 1.268 -6.788 1.00 0.00 C ATOM 410 C GLU A 30 7.349 0.464 -5.497 1.00 0.00 C ATOM 411 O GLU A 30 7.888 -0.635 -5.373 1.00 0.00 O ATOM 412 CB GLU A 30 8.519 2.406 -6.602 1.00 0.00 C ATOM 413 CG GLU A 30 8.937 2.994 -7.952 1.00 0.00 C ATOM 414 CD GLU A 30 10.460 3.093 -8.058 1.00 0.00 C ATOM 415 OE1 GLU A 30 11.123 2.125 -7.628 1.00 0.00 O ATOM 416 OE2 GLU A 30 10.926 4.135 -8.567 1.00 0.00 O ATOM 0 H GLU A 30 6.180 2.793 -7.331 1.00 0.00 H new ATOM 0 HA GLU A 30 7.902 0.604 -7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.080 3.187 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.398 2.036 -6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.552 2.371 -8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.495 3.983 -8.075 1.00 0.00 H new ATOM 423 N ARG A 31 6.604 1.043 -4.567 1.00 0.00 N ATOM 424 CA ARG A 31 6.363 0.394 -3.289 1.00 0.00 C ATOM 425 C ARG A 31 5.916 -1.053 -3.505 1.00 0.00 C ATOM 426 O ARG A 31 6.494 -1.977 -2.936 1.00 0.00 O ATOM 427 CB ARG A 31 5.293 1.137 -2.487 1.00 0.00 C ATOM 428 CG ARG A 31 5.785 2.525 -2.071 1.00 0.00 C ATOM 429 CD ARG A 31 6.360 2.501 -0.654 1.00 0.00 C ATOM 430 NE ARG A 31 7.839 2.502 -0.707 1.00 0.00 N ATOM 431 CZ ARG A 31 8.629 2.637 0.366 1.00 0.00 C ATOM 432 NH1 ARG A 31 8.087 2.783 1.583 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.961 2.627 0.223 1.00 0.00 N ATOM 0 H ARG A 31 6.159 1.955 -4.673 1.00 0.00 H new ATOM 0 HA ARG A 31 7.297 0.409 -2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.386 1.233 -3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.031 0.559 -1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.547 2.869 -2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.961 3.237 -2.121 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.007 3.368 -0.095 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.008 1.616 -0.125 1.00 0.00 H new ATOM 0 HE ARG A 31 8.285 2.393 -1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.073 2.791 1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.689 2.886 2.400 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.374 2.517 -0.703 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.562 2.730 1.040 1.00 0.00 H new ATOM 447 N MET A 32 4.890 -1.205 -4.330 1.00 0.00 N ATOM 448 CA MET A 32 4.358 -2.524 -4.628 1.00 0.00 C ATOM 449 C MET A 32 5.379 -3.365 -5.397 1.00 0.00 C ATOM 450 O MET A 32 5.593 -4.534 -5.076 1.00 0.00 O ATOM 451 CB MET A 32 3.081 -2.384 -5.459 1.00 0.00 C ATOM 452 CG MET A 32 1.947 -1.784 -4.626 1.00 0.00 C ATOM 453 SD MET A 32 0.380 -2.070 -5.431 1.00 0.00 S ATOM 454 CE MET A 32 -0.016 -0.404 -5.937 1.00 0.00 C ATOM 0 H MET A 32 4.413 -0.436 -4.801 1.00 0.00 H new ATOM 0 HA MET A 32 4.136 -3.027 -3.687 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.274 -1.751 -6.325 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.781 -3.361 -5.838 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.941 -2.229 -3.631 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.108 -0.714 -4.495 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.049 -0.364 -6.282 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.111 0.273 -5.092 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.648 -0.102 -6.747 1.00 0.00 H new ATOM 464 N LEU A 33 5.981 -2.739 -6.397 1.00 0.00 N ATOM 465 CA LEU A 33 6.974 -3.415 -7.214 1.00 0.00 C ATOM 466 C LEU A 33 8.095 -3.942 -6.315 1.00 0.00 C ATOM 467 O LEU A 33 8.497 -5.099 -6.432 1.00 0.00 O ATOM 468 CB LEU A 33 7.465 -2.494 -8.333 1.00 0.00 C ATOM 469 CG LEU A 33 6.927 -2.795 -9.733 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.438 -1.517 -10.418 1.00 0.00 C ATOM 471 CD2 LEU A 33 7.970 -3.534 -10.574 1.00 0.00 C ATOM 0 H LEU A 33 5.800 -1.770 -6.660 1.00 0.00 H new ATOM 0 HA LEU A 33 6.533 -4.278 -7.713 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.199 -1.469 -8.076 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.553 -2.542 -8.365 1.00 0.00 H new ATOM 0 HG LEU A 33 6.067 -3.457 -9.634 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.061 -1.758 -11.412 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.640 -1.069 -9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.265 -0.812 -10.505 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.562 -3.736 -11.564 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.864 -2.918 -10.668 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.228 -4.476 -10.089 1.00 0.00 H new ATOM 483 N ALA A 34 8.567 -3.069 -5.438 1.00 0.00 N ATOM 484 CA ALA A 34 9.633 -3.432 -4.520 1.00 0.00 C ATOM 485 C ALA A 34 9.145 -4.547 -3.594 1.00 0.00 C ATOM 486 O ALA A 34 9.937 -5.369 -3.135 1.00 0.00 O ATOM 487 CB ALA A 34 10.087 -2.191 -3.749 1.00 0.00 C ATOM 0 H ALA A 34 8.231 -2.111 -5.343 1.00 0.00 H new ATOM 0 HA ALA A 34 10.497 -3.811 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.887 -2.463 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.452 -1.440 -4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.246 -1.784 -3.187 1.00 0.00 H new ATOM 493 N LEU A 35 7.843 -4.540 -3.346 1.00 0.00 N ATOM 494 CA LEU A 35 7.240 -5.542 -2.483 1.00 0.00 C ATOM 495 C LEU A 35 7.115 -6.860 -3.249 1.00 0.00 C ATOM 496 O LEU A 35 7.587 -7.898 -2.788 1.00 0.00 O ATOM 497 CB LEU A 35 5.914 -5.032 -1.915 1.00 0.00 C ATOM 498 CG LEU A 35 5.031 -6.077 -1.231 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.372 -6.194 0.256 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.548 -5.774 -1.457 1.00 0.00 C ATOM 0 H LEU A 35 7.189 -3.856 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 35 7.877 -5.734 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.130 -4.241 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.344 -4.579 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 35 5.234 -7.047 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.730 -6.944 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.415 -6.491 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.214 -5.231 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.942 -6.532 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.310 -4.793 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.334 -5.781 -2.526 1.00 0.00 H new ATOM 512 N ALA A 36 6.475 -6.777 -4.406 1.00 0.00 N ATOM 513 CA ALA A 36 6.281 -7.950 -5.241 1.00 0.00 C ATOM 514 C ALA A 36 7.640 -8.581 -5.550 1.00 0.00 C ATOM 515 O ALA A 36 7.713 -9.738 -5.961 1.00 0.00 O ATOM 516 CB ALA A 36 5.519 -7.556 -6.508 1.00 0.00 C ATOM 0 H ALA A 36 6.084 -5.915 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 36 5.682 -8.697 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.374 -8.436 -7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.549 -7.141 -6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.091 -6.809 -7.059 1.00 0.00 H new ATOM 522 N GLU A 37 8.684 -7.792 -5.341 1.00 0.00 N ATOM 523 CA GLU A 37 10.037 -8.258 -5.593 1.00 0.00 C ATOM 524 C GLU A 37 10.638 -8.856 -4.319 1.00 0.00 C ATOM 525 O GLU A 37 11.720 -9.441 -4.354 1.00 0.00 O ATOM 526 CB GLU A 37 10.915 -7.128 -6.135 1.00 0.00 C ATOM 527 CG GLU A 37 10.746 -6.981 -7.649 1.00 0.00 C ATOM 528 CD GLU A 37 12.016 -6.417 -8.290 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.228 -5.193 -8.149 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.747 -7.223 -8.906 1.00 0.00 O ATOM 0 H GLU A 37 8.620 -6.833 -5.000 1.00 0.00 H new ATOM 0 HA GLU A 37 9.996 -9.038 -6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.653 -6.191 -5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.960 -7.330 -5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.512 -7.951 -8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.904 -6.323 -7.862 1.00 0.00 H new ATOM 537 N ARG A 38 9.910 -8.689 -3.225 1.00 0.00 N ATOM 538 CA ARG A 38 10.358 -9.205 -1.943 1.00 0.00 C ATOM 539 C ARG A 38 9.519 -10.419 -1.537 1.00 0.00 C ATOM 540 O ARG A 38 9.917 -11.189 -0.664 1.00 0.00 O ATOM 541 CB ARG A 38 10.256 -8.136 -0.853 1.00 0.00 C ATOM 542 CG ARG A 38 8.848 -8.095 -0.255 1.00 0.00 C ATOM 543 CD ARG A 38 8.841 -8.653 1.170 1.00 0.00 C ATOM 544 NE ARG A 38 8.940 -7.546 2.147 1.00 0.00 N ATOM 545 CZ ARG A 38 9.227 -7.713 3.445 1.00 0.00 C ATOM 546 NH1 ARG A 38 9.444 -8.943 3.930 1.00 0.00 N ATOM 547 NH2 ARG A 38 9.296 -6.650 4.259 1.00 0.00 N ATOM 0 H ARG A 38 9.013 -8.204 -3.200 1.00 0.00 H new ATOM 0 HA ARG A 38 11.402 -9.500 -2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.983 -8.342 -0.067 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.506 -7.161 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.481 -7.069 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.167 -8.673 -0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.927 -9.221 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.674 -9.343 1.304 1.00 0.00 H new ATOM 0 HE ARG A 38 8.780 -6.596 1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.391 -9.752 3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.663 -9.070 4.918 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.130 -5.714 3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.515 -6.778 5.247 1.00 0.00 H new ATOM 561 N ILE A 39 8.374 -10.552 -2.190 1.00 0.00 N ATOM 562 CA ILE A 39 7.475 -11.658 -1.908 1.00 0.00 C ATOM 563 C ILE A 39 7.453 -12.609 -3.106 1.00 0.00 C ATOM 564 O ILE A 39 7.299 -13.819 -2.941 1.00 0.00 O ATOM 565 CB ILE A 39 6.093 -11.138 -1.509 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.463 -10.330 -2.646 1.00 0.00 C ATOM 567 CG2 ILE A 39 6.162 -10.338 -0.207 1.00 0.00 C ATOM 568 CD1 ILE A 39 4.112 -9.749 -2.222 1.00 0.00 C ATOM 0 H ILE A 39 8.048 -9.912 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 39 7.832 -12.231 -1.052 1.00 0.00 H new ATOM 0 HB ILE A 39 5.445 -11.995 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.134 -9.523 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.331 -10.967 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.166 -9.980 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.539 -10.976 0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.830 -9.487 -0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.686 -9.179 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.435 -10.560 -1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.252 -9.093 -1.363 1.00 0.00 H new ATOM 580 N GLY A 40 7.609 -12.027 -4.286 1.00 0.00 N ATOM 581 CA GLY A 40 7.609 -12.808 -5.511 1.00 0.00 C ATOM 582 C GLY A 40 6.296 -12.627 -6.276 1.00 0.00 C ATOM 583 O GLY A 40 5.888 -13.507 -7.033 1.00 0.00 O ATOM 0 H GLY A 40 7.736 -11.024 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.446 -12.504 -6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.754 -13.862 -5.275 1.00 0.00 H new ATOM 587 N TRP A 41 5.671 -11.481 -6.052 1.00 0.00 N ATOM 588 CA TRP A 41 4.412 -11.174 -6.710 1.00 0.00 C ATOM 589 C TRP A 41 3.387 -12.226 -6.284 1.00 0.00 C ATOM 590 O TRP A 41 2.580 -12.677 -7.096 1.00 0.00 O ATOM 591 CB TRP A 41 4.592 -11.095 -8.228 1.00 0.00 C ATOM 592 CG TRP A 41 5.709 -10.149 -8.674 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.028 -10.279 -8.477 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.549 -8.914 -9.404 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.728 -9.223 -9.025 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.800 -8.367 -9.607 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.387 -8.282 -9.878 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.008 -7.161 -10.287 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.612 -7.077 -10.556 1.00 0.00 C ATOM 600 CH2 TRP A 41 5.864 -6.513 -10.768 1.00 0.00 C ATOM 0 H TRP A 41 6.013 -10.753 -5.424 1.00 0.00 H new ATOM 0 HA TRP A 41 4.049 -10.192 -6.408 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.801 -12.094 -8.611 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.654 -10.771 -8.678 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.486 -11.106 -7.955 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.740 -9.094 -9.006 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.399 -8.693 -9.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.997 -6.753 -10.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.752 -6.549 -10.941 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.954 -5.578 -11.302 1.00 0.00 H new ATOM 611 N ARG A 42 3.451 -12.587 -5.011 1.00 0.00 N ATOM 612 CA ARG A 42 2.538 -13.578 -4.467 1.00 0.00 C ATOM 613 C ARG A 42 2.089 -13.171 -3.062 1.00 0.00 C ATOM 614 O ARG A 42 2.773 -12.405 -2.385 1.00 0.00 O ATOM 615 CB ARG A 42 3.195 -14.958 -4.405 1.00 0.00 C ATOM 616 CG ARG A 42 2.179 -16.063 -4.699 1.00 0.00 C ATOM 617 CD ARG A 42 2.694 -17.422 -4.221 1.00 0.00 C ATOM 618 NE ARG A 42 2.714 -18.381 -5.349 1.00 0.00 N ATOM 619 CZ ARG A 42 2.821 -19.709 -5.204 1.00 0.00 C ATOM 620 NH1 ARG A 42 2.920 -20.244 -3.980 1.00 0.00 N ATOM 621 NH2 ARG A 42 2.831 -20.502 -6.284 1.00 0.00 N ATOM 0 H ARG A 42 4.121 -12.211 -4.340 1.00 0.00 H new ATOM 0 HA ARG A 42 1.673 -13.630 -5.128 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.011 -15.009 -5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.631 -15.113 -3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.234 -15.834 -4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.978 -16.102 -5.770 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.696 -17.315 -3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.057 -17.801 -3.422 1.00 0.00 H new ATOM 0 HE ARG A 42 2.642 -18.008 -6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.914 -19.641 -3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.001 -21.255 -3.870 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.757 -20.095 -7.216 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.912 -21.513 -6.174 1.00 0.00 H new ATOM 635 N ILE A 43 0.942 -13.702 -2.665 1.00 0.00 N ATOM 636 CA ILE A 43 0.393 -13.404 -1.353 1.00 0.00 C ATOM 637 C ILE A 43 0.215 -14.707 -0.571 1.00 0.00 C ATOM 638 O ILE A 43 -0.180 -15.726 -1.137 1.00 0.00 O ATOM 639 CB ILE A 43 -0.892 -12.584 -1.483 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.612 -11.225 -2.126 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.593 -12.446 -0.130 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.728 -10.838 -3.099 1.00 0.00 C ATOM 0 H ILE A 43 0.377 -14.337 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 43 1.084 -12.782 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.573 -13.118 -2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.520 -10.464 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.341 -11.258 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.503 -11.859 -0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.847 -13.435 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.929 -11.945 0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.504 -9.868 -3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.801 -11.588 -3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.675 -10.782 -2.563 1.00 0.00 H new ATOM 654 N GLN A 44 0.515 -14.633 0.717 1.00 0.00 N ATOM 655 CA GLN A 44 0.393 -15.794 1.582 1.00 0.00 C ATOM 656 C GLN A 44 0.226 -15.356 3.039 1.00 0.00 C ATOM 657 O GLN A 44 0.229 -14.162 3.336 1.00 0.00 O ATOM 658 CB GLN A 44 1.597 -16.725 1.424 1.00 0.00 C ATOM 659 CG GLN A 44 1.397 -17.685 0.250 1.00 0.00 C ATOM 660 CD GLN A 44 1.827 -19.105 0.625 1.00 0.00 C ATOM 661 OE1 GLN A 44 1.635 -19.566 1.738 1.00 0.00 O ATOM 662 NE2 GLN A 44 2.417 -19.771 -0.364 1.00 0.00 N ATOM 0 H GLN A 44 0.842 -13.787 1.183 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.496 -16.351 1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.500 -16.135 1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.745 -17.293 2.342 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.349 -17.686 -0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.974 -17.341 -0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.547 -19.326 -1.272 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.740 -20.727 -0.214 1.00 0.00 H new ATOM 671 N ARG A 45 0.084 -16.345 3.908 1.00 0.00 N ATOM 672 CA ARG A 45 -0.083 -16.077 5.327 1.00 0.00 C ATOM 673 C ARG A 45 1.246 -15.640 5.945 1.00 0.00 C ATOM 674 O ARG A 45 1.303 -15.297 7.125 1.00 0.00 O ATOM 675 CB ARG A 45 -0.599 -17.314 6.064 1.00 0.00 C ATOM 676 CG ARG A 45 -1.071 -16.954 7.475 1.00 0.00 C ATOM 677 CD ARG A 45 0.003 -17.284 8.513 1.00 0.00 C ATOM 678 NE ARG A 45 -0.037 -16.297 9.615 1.00 0.00 N ATOM 679 CZ ARG A 45 0.936 -16.144 10.523 1.00 0.00 C ATOM 680 NH1 ARG A 45 2.032 -16.913 10.466 1.00 0.00 N ATOM 681 NH2 ARG A 45 0.814 -15.223 11.488 1.00 0.00 N ATOM 0 H ARG A 45 0.081 -17.334 3.658 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.815 -15.276 5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.421 -17.759 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.190 -18.064 6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.313 -15.892 7.522 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.986 -17.500 7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.157 -18.288 8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.987 -17.278 8.044 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.857 -15.695 9.688 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.125 -17.615 9.731 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.773 -16.797 11.157 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.020 -14.638 11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.555 -15.107 12.179 1.00 0.00 H new ATOM 695 N GLN A 46 2.283 -15.667 5.121 1.00 0.00 N ATOM 696 CA GLN A 46 3.608 -15.278 5.572 1.00 0.00 C ATOM 697 C GLN A 46 3.872 -13.808 5.241 1.00 0.00 C ATOM 698 O GLN A 46 4.363 -13.057 6.082 1.00 0.00 O ATOM 699 CB GLN A 46 4.682 -16.180 4.959 1.00 0.00 C ATOM 700 CG GLN A 46 4.566 -17.610 5.490 1.00 0.00 C ATOM 701 CD GLN A 46 5.859 -18.044 6.184 1.00 0.00 C ATOM 702 OE1 GLN A 46 6.782 -18.555 5.571 1.00 0.00 O ATOM 703 NE2 GLN A 46 5.873 -17.813 7.494 1.00 0.00 N ATOM 0 H GLN A 46 2.232 -15.952 4.143 1.00 0.00 H new ATOM 0 HA GLN A 46 3.652 -15.399 6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.584 -16.182 3.873 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.670 -15.782 5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.734 -17.675 6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.344 -18.290 4.668 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.066 -17.382 7.944 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.691 -18.067 8.048 1.00 0.00 H new ATOM 712 N ASP A 47 3.533 -13.441 4.013 1.00 0.00 N ATOM 713 CA ASP A 47 3.727 -12.074 3.561 1.00 0.00 C ATOM 714 C ASP A 47 2.608 -11.193 4.119 1.00 0.00 C ATOM 715 O ASP A 47 2.722 -9.968 4.125 1.00 0.00 O ATOM 716 CB ASP A 47 3.680 -11.988 2.034 1.00 0.00 C ATOM 717 CG ASP A 47 4.643 -12.925 1.303 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.856 -12.625 1.330 1.00 0.00 O ATOM 719 OD2 ASP A 47 4.145 -13.919 0.733 1.00 0.00 O ATOM 0 H ASP A 47 3.126 -14.067 3.318 1.00 0.00 H new ATOM 0 HA ASP A 47 4.703 -11.738 3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.664 -12.206 1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.899 -10.963 1.736 1.00 0.00 H new ATOM 724 N ASP A 48 1.552 -11.851 4.575 1.00 0.00 N ATOM 725 CA ASP A 48 0.413 -11.143 5.134 1.00 0.00 C ATOM 726 C ASP A 48 0.913 -9.964 5.972 1.00 0.00 C ATOM 727 O ASP A 48 0.605 -8.811 5.673 1.00 0.00 O ATOM 728 CB ASP A 48 -0.409 -12.055 6.046 1.00 0.00 C ATOM 729 CG ASP A 48 -1.925 -11.954 5.865 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.396 -10.816 5.652 1.00 0.00 O ATOM 731 OD2 ASP A 48 -2.579 -13.016 5.944 1.00 0.00 O ATOM 0 H ASP A 48 1.461 -12.867 4.569 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.211 -10.802 4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.105 -13.087 5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.166 -11.822 7.083 1.00 0.00 H new ATOM 736 N GLU A 49 1.675 -10.293 7.004 1.00 0.00 N ATOM 737 CA GLU A 49 2.220 -9.275 7.887 1.00 0.00 C ATOM 738 C GLU A 49 2.743 -8.091 7.072 1.00 0.00 C ATOM 739 O GLU A 49 2.546 -6.937 7.451 1.00 0.00 O ATOM 740 CB GLU A 49 3.319 -9.855 8.779 1.00 0.00 C ATOM 741 CG GLU A 49 3.225 -9.295 10.199 1.00 0.00 C ATOM 742 CD GLU A 49 4.316 -8.252 10.452 1.00 0.00 C ATOM 743 OE1 GLU A 49 5.440 -8.678 10.791 1.00 0.00 O ATOM 744 OE2 GLU A 49 4.000 -7.053 10.299 1.00 0.00 O ATOM 0 H GLU A 49 1.928 -11.250 7.249 1.00 0.00 H new ATOM 0 HA GLU A 49 1.421 -8.919 8.537 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.234 -10.941 8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.296 -9.622 8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.244 -8.845 10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.319 -10.107 10.921 1.00 0.00 H new ATOM 751 N VAL A 50 3.399 -8.416 5.968 1.00 0.00 N ATOM 752 CA VAL A 50 3.951 -7.393 5.096 1.00 0.00 C ATOM 753 C VAL A 50 2.824 -6.768 4.272 1.00 0.00 C ATOM 754 O VAL A 50 2.765 -5.549 4.118 1.00 0.00 O ATOM 755 CB VAL A 50 5.065 -7.988 4.232 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.910 -6.885 3.592 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.939 -8.945 5.046 1.00 0.00 C ATOM 0 H VAL A 50 3.561 -9.374 5.657 1.00 0.00 H new ATOM 0 HA VAL A 50 4.405 -6.595 5.683 1.00 0.00 H new ATOM 0 HB VAL A 50 4.598 -8.561 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.695 -7.335 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.276 -6.260 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.362 -6.274 4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.723 -9.354 4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.392 -8.405 5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.325 -9.758 5.433 1.00 0.00 H new ATOM 767 N ILE A 51 1.957 -7.632 3.764 1.00 0.00 N ATOM 768 CA ILE A 51 0.835 -7.180 2.959 1.00 0.00 C ATOM 769 C ILE A 51 0.014 -6.166 3.760 1.00 0.00 C ATOM 770 O ILE A 51 -0.082 -5.000 3.378 1.00 0.00 O ATOM 771 CB ILE A 51 0.019 -8.373 2.459 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.900 -9.354 1.683 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.184 -7.909 1.636 1.00 0.00 C ATOM 774 CD1 ILE A 51 0.960 -8.982 0.200 1.00 0.00 C ATOM 0 H ILE A 51 2.009 -8.642 3.894 1.00 0.00 H new ATOM 0 HA ILE A 51 1.190 -6.669 2.064 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.371 -8.907 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.906 -9.355 2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.508 -10.365 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.747 -8.777 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.826 -7.281 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.837 -7.338 0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.593 -9.695 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.045 -9.006 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.375 -7.980 0.093 1.00 0.00 H new ATOM 786 N GLN A 52 -0.556 -6.647 4.855 1.00 0.00 N ATOM 787 CA GLN A 52 -1.364 -5.797 5.712 1.00 0.00 C ATOM 788 C GLN A 52 -0.565 -4.567 6.147 1.00 0.00 C ATOM 789 O GLN A 52 -1.064 -3.444 6.084 1.00 0.00 O ATOM 790 CB GLN A 52 -1.879 -6.573 6.926 1.00 0.00 C ATOM 791 CG GLN A 52 -3.292 -6.125 7.305 1.00 0.00 C ATOM 792 CD GLN A 52 -3.392 -5.840 8.805 1.00 0.00 C ATOM 793 OE1 GLN A 52 -3.449 -6.736 9.631 1.00 0.00 O ATOM 794 NE2 GLN A 52 -3.412 -4.546 9.110 1.00 0.00 N ATOM 0 H GLN A 52 -0.474 -7.614 5.168 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.230 -5.460 5.143 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.879 -7.641 6.706 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.207 -6.421 7.771 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.557 -5.230 6.742 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.009 -6.898 7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.361 -3.847 8.369 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.478 -4.253 10.085 1.00 0.00 H new ATOM 803 N ARG A 53 0.662 -4.820 6.577 1.00 0.00 N ATOM 804 CA ARG A 53 1.535 -3.747 7.022 1.00 0.00 C ATOM 805 C ARG A 53 1.735 -2.726 5.900 1.00 0.00 C ATOM 806 O ARG A 53 1.606 -1.523 6.121 1.00 0.00 O ATOM 807 CB ARG A 53 2.898 -4.290 7.457 1.00 0.00 C ATOM 808 CG ARG A 53 3.909 -3.156 7.635 1.00 0.00 C ATOM 809 CD ARG A 53 3.515 -2.250 8.804 1.00 0.00 C ATOM 810 NE ARG A 53 4.604 -1.288 9.087 1.00 0.00 N ATOM 811 CZ ARG A 53 4.656 -0.513 10.179 1.00 0.00 C ATOM 812 NH1 ARG A 53 3.683 -0.583 11.098 1.00 0.00 N ATOM 813 NH2 ARG A 53 5.682 0.331 10.353 1.00 0.00 N ATOM 0 H ARG A 53 1.073 -5.752 6.627 1.00 0.00 H new ATOM 0 HA ARG A 53 1.059 -3.265 7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.793 -4.838 8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.266 -4.997 6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.901 -3.572 7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.968 -2.569 6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.597 -1.713 8.566 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.311 -2.852 9.689 1.00 0.00 H new ATOM 0 HE ARG A 53 5.362 -1.210 8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.903 -1.226 10.966 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.723 0.007 11.929 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.423 0.384 9.654 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.722 0.921 11.184 1.00 0.00 H new ATOM 827 N PHE A 54 2.048 -3.243 4.721 1.00 0.00 N ATOM 828 CA PHE A 54 2.267 -2.392 3.564 1.00 0.00 C ATOM 829 C PHE A 54 1.064 -1.479 3.319 1.00 0.00 C ATOM 830 O PHE A 54 1.215 -0.370 2.810 1.00 0.00 O ATOM 831 CB PHE A 54 2.446 -3.315 2.357 1.00 0.00 C ATOM 832 CG PHE A 54 2.443 -2.586 1.011 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.264 -2.251 0.423 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.619 -2.275 0.404 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.261 -1.575 -0.826 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.616 -1.599 -0.845 1.00 0.00 C ATOM 837 CZ PHE A 54 2.437 -1.263 -1.434 1.00 0.00 C ATOM 0 H PHE A 54 2.155 -4.241 4.542 1.00 0.00 H new ATOM 0 HA PHE A 54 3.141 -1.761 3.727 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.386 -3.857 2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.648 -4.057 2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.330 -2.499 0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.555 -2.542 0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.324 -1.309 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.550 -1.352 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.435 -0.749 -2.384 1.00 0.00 H new ATOM 847 N CYS A 55 -0.104 -1.980 3.694 1.00 0.00 N ATOM 848 CA CYS A 55 -1.333 -1.223 3.521 1.00 0.00 C ATOM 849 C CYS A 55 -1.358 -0.104 4.563 1.00 0.00 C ATOM 850 O CYS A 55 -2.200 0.790 4.499 1.00 0.00 O ATOM 851 CB CYS A 55 -2.568 -2.121 3.618 1.00 0.00 C ATOM 852 SG CYS A 55 -4.086 -1.121 3.407 1.00 0.00 S ATOM 0 H CYS A 55 -0.226 -2.900 4.117 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.358 -0.788 2.522 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.525 -2.897 2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.586 -2.626 4.584 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.479 -1.184 2.169 1.00 0.00 H new ATOM 858 N GLN A 56 -0.423 -0.188 5.499 1.00 0.00 N ATOM 859 CA GLN A 56 -0.327 0.807 6.553 1.00 0.00 C ATOM 860 C GLN A 56 0.675 1.896 6.166 1.00 0.00 C ATOM 861 O GLN A 56 0.645 2.996 6.715 1.00 0.00 O ATOM 862 CB GLN A 56 0.054 0.159 7.886 1.00 0.00 C ATOM 863 CG GLN A 56 -0.903 -0.983 8.234 1.00 0.00 C ATOM 864 CD GLN A 56 -1.587 -0.733 9.580 1.00 0.00 C ATOM 865 OE1 GLN A 56 -1.779 0.393 10.009 1.00 0.00 O ATOM 866 NE2 GLN A 56 -1.944 -1.843 10.220 1.00 0.00 N ATOM 0 H GLN A 56 0.275 -0.930 5.549 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.306 1.270 6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.074 -0.221 7.831 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.035 0.908 8.677 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.656 -1.083 7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.354 -1.924 8.270 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.754 -2.755 9.805 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.408 -1.782 11.126 1.00 0.00 H new ATOM 875 N GLU A 57 1.540 1.551 5.223 1.00 0.00 N ATOM 876 CA GLU A 57 2.550 2.485 4.756 1.00 0.00 C ATOM 877 C GLU A 57 2.104 3.138 3.446 1.00 0.00 C ATOM 878 O GLU A 57 2.368 4.317 3.214 1.00 0.00 O ATOM 879 CB GLU A 57 3.903 1.792 4.589 1.00 0.00 C ATOM 880 CG GLU A 57 3.951 0.986 3.289 1.00 0.00 C ATOM 881 CD GLU A 57 5.363 0.464 3.019 1.00 0.00 C ATOM 882 OE1 GLU A 57 5.945 -0.113 3.963 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.829 0.653 1.875 1.00 0.00 O ATOM 0 H GLU A 57 1.562 0.637 4.770 1.00 0.00 H new ATOM 0 HA GLU A 57 2.669 3.266 5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.699 2.537 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.084 1.132 5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.256 0.149 3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.625 1.611 2.457 1.00 0.00 H new ATOM 890 N THR A 58 1.435 2.343 2.623 1.00 0.00 N ATOM 891 CA THR A 58 0.950 2.829 1.343 1.00 0.00 C ATOM 892 C THR A 58 -0.527 3.218 1.445 1.00 0.00 C ATOM 893 O THR A 58 -0.906 4.329 1.079 1.00 0.00 O ATOM 894 CB THR A 58 1.222 1.749 0.293 1.00 0.00 C ATOM 895 OG1 THR A 58 0.495 0.617 0.763 1.00 0.00 O ATOM 896 CG2 THR A 58 2.680 1.284 0.297 1.00 0.00 C ATOM 0 H THR A 58 1.218 1.366 2.818 1.00 0.00 H new ATOM 0 HA THR A 58 1.473 3.736 1.041 1.00 0.00 H new ATOM 0 HB THR A 58 0.965 2.130 -0.695 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.099 -0.151 0.840 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.820 0.518 -0.466 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.333 2.131 0.085 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.928 0.871 1.275 1.00 0.00 H new ATOM 904 N GLY A 59 -1.320 2.281 1.943 1.00 0.00 N ATOM 905 CA GLY A 59 -2.746 2.512 2.098 1.00 0.00 C ATOM 906 C GLY A 59 -3.543 1.752 1.036 1.00 0.00 C ATOM 907 O GLY A 59 -4.768 1.848 0.987 1.00 0.00 O ATOM 0 H GLY A 59 -1.002 1.360 2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.063 2.196 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.956 3.579 2.021 1.00 0.00 H new ATOM 911 N VAL A 60 -2.814 1.014 0.211 1.00 0.00 N ATOM 912 CA VAL A 60 -3.438 0.239 -0.848 1.00 0.00 C ATOM 913 C VAL A 60 -4.134 -0.980 -0.239 1.00 0.00 C ATOM 914 O VAL A 60 -3.626 -1.583 0.705 1.00 0.00 O ATOM 915 CB VAL A 60 -2.397 -0.134 -1.906 1.00 0.00 C ATOM 916 CG1 VAL A 60 -3.011 -1.024 -2.989 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.764 1.117 -2.517 1.00 0.00 C ATOM 0 H VAL A 60 -1.798 0.937 0.255 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.201 0.830 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.607 -0.702 -1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.250 -1.275 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.392 -1.939 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.829 -0.493 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.028 0.824 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.538 1.724 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.274 1.696 -1.734 1.00 0.00 H new ATOM 927 N PRO A 61 -5.318 -1.315 -0.819 1.00 0.00 N ATOM 928 CA PRO A 61 -6.089 -2.451 -0.343 1.00 0.00 C ATOM 929 C PRO A 61 -5.456 -3.770 -0.791 1.00 0.00 C ATOM 930 O PRO A 61 -4.953 -3.873 -1.909 1.00 0.00 O ATOM 931 CB PRO A 61 -7.486 -2.241 -0.905 1.00 0.00 C ATOM 932 CG PRO A 61 -7.331 -1.252 -2.049 1.00 0.00 C ATOM 933 CD PRO A 61 -5.951 -0.625 -1.939 1.00 0.00 C ATOM 0 HA PRO A 61 -6.117 -2.515 0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.911 -3.181 -1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.160 -1.852 -0.141 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.446 -1.757 -3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.104 -0.485 -1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.381 -0.758 -2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.017 0.448 -1.757 1.00 0.00 H new ATOM 941 N ARG A 62 -5.502 -4.746 0.104 1.00 0.00 N ATOM 942 CA ARG A 62 -4.940 -6.054 -0.185 1.00 0.00 C ATOM 943 C ARG A 62 -5.444 -6.561 -1.538 1.00 0.00 C ATOM 944 O ARG A 62 -4.649 -6.884 -2.419 1.00 0.00 O ATOM 945 CB ARG A 62 -5.311 -7.065 0.901 1.00 0.00 C ATOM 946 CG ARG A 62 -4.833 -8.470 0.528 1.00 0.00 C ATOM 947 CD ARG A 62 -4.901 -9.410 1.734 1.00 0.00 C ATOM 948 NE ARG A 62 -5.757 -10.576 1.418 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.187 -11.460 2.329 1.00 0.00 C ATOM 950 NH1 ARG A 62 -5.845 -11.316 3.616 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.960 -12.487 1.952 1.00 0.00 N ATOM 0 H ARG A 62 -5.920 -4.657 1.030 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.855 -5.950 -0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.865 -6.765 1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.392 -7.071 1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.448 -8.865 -0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.810 -8.423 0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.899 -9.746 2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.300 -8.879 2.598 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.037 -10.715 0.447 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.257 -10.533 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.172 -11.989 4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.221 -12.596 0.972 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.287 -13.160 2.645 1.00 0.00 H new ATOM 965 N GLN A 63 -6.762 -6.615 -1.660 1.00 0.00 N ATOM 966 CA GLN A 63 -7.382 -7.078 -2.890 1.00 0.00 C ATOM 967 C GLN A 63 -6.731 -6.402 -4.099 1.00 0.00 C ATOM 968 O GLN A 63 -6.653 -6.990 -5.176 1.00 0.00 O ATOM 969 CB GLN A 63 -8.891 -6.830 -2.871 1.00 0.00 C ATOM 970 CG GLN A 63 -9.632 -7.892 -3.686 1.00 0.00 C ATOM 971 CD GLN A 63 -11.101 -7.511 -3.877 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.800 -7.144 -2.947 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.529 -7.618 -5.132 1.00 0.00 N ATOM 0 H GLN A 63 -7.418 -6.346 -0.927 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.225 -8.154 -2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.252 -6.839 -1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.106 -5.841 -3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.154 -8.008 -4.658 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.565 -8.855 -3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.891 -7.932 -5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.495 -7.386 -5.363 1.00 0.00 H new ATOM 982 N VAL A 64 -6.279 -5.176 -3.879 1.00 0.00 N ATOM 983 CA VAL A 64 -5.638 -4.414 -4.937 1.00 0.00 C ATOM 984 C VAL A 64 -4.179 -4.857 -5.065 1.00 0.00 C ATOM 985 O VAL A 64 -3.704 -5.129 -6.166 1.00 0.00 O ATOM 986 CB VAL A 64 -5.786 -2.915 -4.666 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.627 -2.130 -5.282 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.132 -2.397 -5.176 1.00 0.00 C ATOM 0 H VAL A 64 -6.344 -4.692 -2.984 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.122 -4.607 -5.894 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.756 -2.764 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.756 -1.068 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.686 -2.472 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.611 -2.290 -6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.212 -1.329 -4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.204 -2.567 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.940 -2.925 -4.670 1.00 0.00 H new ATOM 998 N LEU A 65 -3.509 -4.915 -3.924 1.00 0.00 N ATOM 999 CA LEU A 65 -2.114 -5.319 -3.895 1.00 0.00 C ATOM 1000 C LEU A 65 -1.982 -6.724 -4.486 1.00 0.00 C ATOM 1001 O LEU A 65 -0.887 -7.148 -4.852 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.548 -5.193 -2.478 1.00 0.00 C ATOM 1003 CG LEU A 65 -0.025 -5.267 -2.355 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.483 -6.676 -2.666 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.648 -4.209 -3.232 1.00 0.00 C ATOM 0 H LEU A 65 -3.907 -4.689 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.512 -4.654 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.881 -4.244 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.981 -5.982 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 65 0.245 -5.048 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.569 -6.701 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.041 -7.385 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.201 -6.948 -3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.730 -4.283 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.373 -4.372 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.320 -3.217 -2.921 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.115 -7.408 -4.561 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.140 -8.757 -5.102 1.00 0.00 C ATOM 1019 C LYS A 66 -3.238 -8.688 -6.628 1.00 0.00 C ATOM 1020 O LYS A 66 -2.283 -9.017 -7.330 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.257 -9.575 -4.450 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.660 -10.755 -5.336 1.00 0.00 C ATOM 1023 CD LYS A 66 -5.459 -11.790 -4.541 1.00 0.00 C ATOM 1024 CE LYS A 66 -6.929 -11.791 -4.964 1.00 0.00 C ATOM 1025 NZ LYS A 66 -7.134 -12.689 -6.122 1.00 0.00 N ATOM 0 H LYS A 66 -4.022 -7.054 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.214 -9.280 -4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.925 -9.942 -3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.123 -8.937 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.256 -10.397 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.768 -11.222 -5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.032 -12.781 -4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.384 -11.573 -3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.553 -12.114 -4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.240 -10.779 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.137 -12.678 -6.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.553 -12.364 -6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.856 -13.657 -5.864 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.401 -8.259 -7.095 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.636 -8.142 -8.524 1.00 0.00 C ATOM 1041 C VAL A 67 -3.550 -7.263 -9.146 1.00 0.00 C ATOM 1042 O VAL A 67 -2.967 -7.619 -10.168 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.050 -7.617 -8.781 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.102 -8.616 -8.294 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -6.252 -6.247 -8.131 1.00 0.00 C ATOM 0 H VAL A 67 -5.191 -7.988 -6.509 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.575 -9.120 -9.002 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.174 -7.498 -9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.098 -8.219 -8.488 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.979 -9.561 -8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.979 -8.781 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.265 -5.896 -8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.100 -6.329 -7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.535 -5.538 -8.546 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.310 -6.130 -8.502 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.304 -5.196 -8.979 1.00 0.00 C ATOM 1057 C TRP A 68 -1.138 -6.007 -9.547 1.00 0.00 C ATOM 1058 O TRP A 68 -0.829 -5.908 -10.733 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.878 -4.234 -7.868 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.792 -3.241 -8.286 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.950 -2.000 -8.767 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.634 -3.457 -8.242 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.265 -1.403 -9.035 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.259 -2.317 -8.705 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.372 -4.579 -7.825 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.650 -2.188 -8.795 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.761 -4.434 -7.920 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.405 -3.293 -8.385 1.00 0.00 C ATOM 0 H TRP A 68 -3.795 -5.838 -7.654 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.708 -4.565 -9.771 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.752 -3.679 -7.528 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.518 -4.814 -7.018 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.908 -1.527 -8.925 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.407 -0.464 -9.407 1.00 0.00 H new ATOM 0 HE3 TRP A 68 0.904 -5.481 -7.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.115 -1.285 -9.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.375 -5.267 -7.610 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.484 -3.259 -8.430 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.523 -6.791 -8.674 1.00 0.00 N ATOM 1080 CA LEU A 69 0.602 -7.619 -9.074 1.00 0.00 C ATOM 1081 C LEU A 69 0.302 -8.259 -10.431 1.00 0.00 C ATOM 1082 O LEU A 69 1.103 -8.160 -11.359 1.00 0.00 O ATOM 1083 CB LEU A 69 0.939 -8.631 -7.978 1.00 0.00 C ATOM 1084 CG LEU A 69 1.216 -8.050 -6.590 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.832 -9.044 -5.492 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.671 -7.595 -6.467 1.00 0.00 C ATOM 0 H LEU A 69 -0.783 -6.870 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 69 1.497 -7.010 -9.199 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.112 -9.337 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.814 -9.200 -8.293 1.00 0.00 H new ATOM 0 HG LEU A 69 0.590 -7.168 -6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.039 -8.606 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.230 -9.277 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.413 -9.959 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.841 -7.186 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.333 -8.446 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.877 -6.828 -7.214 1.00 0.00 H new ATOM 1098 N HIS A 70 -0.855 -8.901 -10.504 1.00 0.00 N ATOM 1099 CA HIS A 70 -1.271 -9.557 -11.731 1.00 0.00 C ATOM 1100 C HIS A 70 -1.461 -8.512 -12.833 1.00 0.00 C ATOM 1101 O HIS A 70 -0.968 -8.682 -13.946 1.00 0.00 O ATOM 1102 CB HIS A 70 -2.522 -10.406 -11.497 1.00 0.00 C ATOM 1103 CG HIS A 70 -2.673 -11.557 -12.462 1.00 0.00 C ATOM 1104 ND1 HIS A 70 -1.921 -12.715 -12.371 1.00 0.00 N ATOM 1105 CD2 HIS A 70 -3.497 -11.716 -13.538 1.00 0.00 C ATOM 1106 CE1 HIS A 70 -2.283 -13.528 -13.353 1.00 0.00 C ATOM 1107 NE2 HIS A 70 -3.260 -12.907 -14.075 1.00 0.00 N ATOM 0 H HIS A 70 -1.517 -8.981 -9.732 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.493 -10.245 -12.061 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.497 -10.799 -10.480 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.402 -9.766 -11.570 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.219 -10.996 -13.893 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.876 -14.509 -13.548 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.731 -13.294 -14.893 1.00 0.00 H new ATOM 1115 N ASN A 71 -2.178 -7.454 -12.483 1.00 0.00 N ATOM 1116 CA ASN A 71 -2.439 -6.382 -13.427 1.00 0.00 C ATOM 1117 C ASN A 71 -1.123 -5.946 -14.075 1.00 0.00 C ATOM 1118 O ASN A 71 -1.113 -5.470 -15.209 1.00 0.00 O ATOM 1119 CB ASN A 71 -3.046 -5.165 -12.725 1.00 0.00 C ATOM 1120 CG ASN A 71 -4.567 -5.294 -12.622 1.00 0.00 C ATOM 1121 OD1 ASN A 71 -5.244 -5.717 -13.544 1.00 0.00 O ATOM 1122 ND2 ASN A 71 -5.064 -4.907 -11.451 1.00 0.00 N ATOM 0 H ASN A 71 -2.586 -7.317 -11.558 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.140 -6.755 -14.174 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.618 -5.065 -11.728 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.791 -4.259 -13.274 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.069 -4.955 -11.283 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.440 -4.562 -10.721 1.00 0.00 H new ATOM 1129 N ASN A 72 -0.045 -6.124 -13.326 1.00 0.00 N ATOM 1130 CA ASN A 72 1.274 -5.756 -13.813 1.00 0.00 C ATOM 1131 C ASN A 72 1.950 -6.986 -14.422 1.00 0.00 C ATOM 1132 O ASN A 72 2.285 -6.992 -15.605 1.00 0.00 O ATOM 1133 CB ASN A 72 2.159 -5.245 -12.674 1.00 0.00 C ATOM 1134 CG ASN A 72 1.758 -3.827 -12.263 1.00 0.00 C ATOM 1135 OD1 ASN A 72 2.483 -2.866 -12.464 1.00 0.00 O ATOM 1136 ND2 ASN A 72 0.567 -3.749 -11.676 1.00 0.00 N ATOM 0 H ASN A 72 -0.058 -6.518 -12.385 1.00 0.00 H new ATOM 0 HA ASN A 72 1.151 -4.968 -14.556 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.077 -5.913 -11.817 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.203 -5.255 -12.987 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.210 -2.846 -11.364 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.010 -4.592 -11.538 1.00 0.00 H new ATOM 1143 N LYS A 73 2.131 -7.997 -13.585 1.00 0.00 N ATOM 1144 CA LYS A 73 2.761 -9.230 -14.026 1.00 0.00 C ATOM 1145 C LYS A 73 2.066 -9.728 -15.295 1.00 0.00 C ATOM 1146 O LYS A 73 0.997 -10.333 -15.224 1.00 0.00 O ATOM 1147 CB LYS A 73 2.781 -10.257 -12.892 1.00 0.00 C ATOM 1148 CG LYS A 73 4.192 -10.416 -12.322 1.00 0.00 C ATOM 1149 CD LYS A 73 4.234 -11.520 -11.263 1.00 0.00 C ATOM 1150 CE LYS A 73 4.280 -12.903 -11.915 1.00 0.00 C ATOM 1151 NZ LYS A 73 5.042 -13.849 -11.069 1.00 0.00 N ATOM 0 H LYS A 73 1.852 -7.988 -12.604 1.00 0.00 H new ATOM 0 HA LYS A 73 3.805 -9.053 -14.283 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.099 -9.945 -12.102 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.423 -11.218 -13.261 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.889 -10.652 -13.126 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.519 -9.473 -11.883 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.108 -11.385 -10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.357 -11.446 -10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.266 -13.275 -12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.742 -12.832 -12.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.064 -14.783 -11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.014 -13.500 -10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.584 -13.929 -10.139 1.00 0.00 H new ATOM 1165 N HIS A 74 2.700 -9.454 -16.425 1.00 0.00 N ATOM 1166 CA HIS A 74 2.155 -9.867 -17.708 1.00 0.00 C ATOM 1167 C HIS A 74 0.849 -9.117 -17.976 1.00 0.00 C ATOM 1168 O HIS A 74 -0.147 -9.329 -17.285 1.00 0.00 O ATOM 1169 CB HIS A 74 1.988 -11.387 -17.763 1.00 0.00 C ATOM 1170 CG HIS A 74 1.529 -11.905 -19.105 1.00 0.00 C ATOM 1171 ND1 HIS A 74 0.193 -12.014 -19.449 1.00 0.00 N ATOM 1172 CD2 HIS A 74 2.241 -12.343 -20.183 1.00 0.00 C ATOM 1173 CE1 HIS A 74 0.116 -12.497 -20.681 1.00 0.00 C ATOM 1174 NE2 HIS A 74 1.387 -12.700 -21.133 1.00 0.00 N ATOM 0 H HIS A 74 3.586 -8.951 -16.480 1.00 0.00 H new ATOM 0 HA HIS A 74 2.853 -9.607 -18.504 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.939 -11.856 -17.509 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.269 -11.691 -17.002 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.318 -12.391 -20.251 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.793 -12.695 -21.230 1.00 0.00 H new ATOM 0 HE2 HIS A 74 1.639 -13.066 -22.051 1.00 0.00 H new ATOM 1182 N SER A 75 0.894 -8.254 -18.981 1.00 0.00 N ATOM 1183 CA SER A 75 -0.273 -7.471 -19.349 1.00 0.00 C ATOM 1184 C SER A 75 0.006 -6.688 -20.633 1.00 0.00 C ATOM 1185 O SER A 75 1.134 -6.674 -21.123 1.00 0.00 O ATOM 1186 CB SER A 75 -0.675 -6.518 -18.221 1.00 0.00 C ATOM 1187 OG SER A 75 -1.964 -5.951 -18.436 1.00 0.00 O ATOM 0 H SER A 75 1.721 -8.080 -19.552 1.00 0.00 H new ATOM 0 HA SER A 75 -1.104 -8.155 -19.522 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.669 -7.055 -17.273 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.063 -5.720 -18.140 1.00 0.00 H new ATOM 0 HG SER A 75 -2.185 -5.350 -17.694 1.00 0.00 H new ATOM 1193 N GLY A 76 -1.041 -6.054 -21.141 1.00 0.00 N ATOM 1194 CA GLY A 76 -0.923 -5.270 -22.358 1.00 0.00 C ATOM 1195 C GLY A 76 -1.943 -5.725 -23.404 1.00 0.00 C ATOM 1196 O GLY A 76 -2.381 -6.874 -23.392 1.00 0.00 O ATOM 0 H GLY A 76 -1.975 -6.068 -20.731 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.075 -4.215 -22.131 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.085 -5.367 -22.761 1.00 0.00 H new ATOM 1200 N PRO A 77 -2.303 -4.774 -24.308 1.00 0.00 N ATOM 1201 CA PRO A 77 -3.263 -5.064 -25.358 1.00 0.00 C ATOM 1202 C PRO A 77 -2.631 -5.920 -26.458 1.00 0.00 C ATOM 1203 O PRO A 77 -3.159 -6.973 -26.811 1.00 0.00 O ATOM 1204 CB PRO A 77 -3.726 -3.705 -25.856 1.00 0.00 C ATOM 1205 CG PRO A 77 -2.672 -2.711 -25.393 1.00 0.00 C ATOM 1206 CD PRO A 77 -1.805 -3.402 -24.353 1.00 0.00 C ATOM 0 HA PRO A 77 -4.109 -5.652 -25.002 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.819 -3.698 -26.942 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.706 -3.453 -25.450 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.066 -2.378 -26.235 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.143 -1.824 -24.969 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.752 -3.372 -24.632 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.891 -2.917 -23.380 1.00 0.00 H new ATOM 1214 N SER A 78 -1.509 -5.435 -26.969 1.00 0.00 N ATOM 1215 CA SER A 78 -0.799 -6.142 -28.021 1.00 0.00 C ATOM 1216 C SER A 78 0.411 -6.875 -27.436 1.00 0.00 C ATOM 1217 O SER A 78 1.485 -6.293 -27.296 1.00 0.00 O ATOM 1218 CB SER A 78 -0.354 -5.182 -29.127 1.00 0.00 C ATOM 1219 OG SER A 78 0.064 -5.876 -30.299 1.00 0.00 O ATOM 0 H SER A 78 -1.074 -4.561 -26.674 1.00 0.00 H new ATOM 0 HA SER A 78 -1.479 -6.871 -28.461 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.176 -4.511 -29.377 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.464 -4.562 -28.761 1.00 0.00 H new ATOM 0 HG SER A 78 0.339 -5.229 -30.982 1.00 0.00 H new ATOM 1225 N SER A 79 0.195 -8.140 -27.110 1.00 0.00 N ATOM 1226 CA SER A 79 1.253 -8.958 -26.543 1.00 0.00 C ATOM 1227 C SER A 79 1.738 -8.348 -25.227 1.00 0.00 C ATOM 1228 O SER A 79 1.533 -7.161 -24.976 1.00 0.00 O ATOM 1229 CB SER A 79 2.420 -9.105 -27.522 1.00 0.00 C ATOM 1230 OG SER A 79 2.066 -9.881 -28.663 1.00 0.00 O ATOM 0 H SER A 79 -0.698 -8.619 -27.228 1.00 0.00 H new ATOM 0 HA SER A 79 0.850 -9.952 -26.348 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.750 -8.117 -27.844 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.263 -9.572 -27.013 1.00 0.00 H new ATOM 0 HG SER A 79 2.837 -9.950 -29.264 1.00 0.00 H new ATOM 1236 N GLY A 80 2.373 -9.186 -24.420 1.00 0.00 N ATOM 1237 CA GLY A 80 2.889 -8.744 -23.136 1.00 0.00 C ATOM 1238 C GLY A 80 4.416 -8.832 -23.099 1.00 0.00 C ATOM 1239 O GLY A 80 5.008 -9.688 -23.754 1.00 0.00 O ATOM 0 H GLY A 80 2.542 -10.170 -24.631 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.576 -7.717 -22.948 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.466 -9.357 -22.340 1.00 0.00 H new TER 1243 GLY A 80