USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 704 hydrogens (19 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 NoAdj-H: B 336 M3L H2 : B 336 M3L N : B 335 VAL C :(H bumps) USER MOD NoAdj-H: B 336 M3L H : B 336 M3L N : B 335 VAL C :(H bumps) USER MOD Single : A 5 SER OG : rot -23:sc= 0.196 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 24:sc=0.000889 USER MOD Single : A 13 SER OG : rot 33:sc= 0.117 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.41 K(o=-0.41,f=-3.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 47 TYR OH : rot 76:sc= 1.98 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -43:sc= 0.0136 USER MOD Single : A 61 CYS SG : rot 105:sc= -11.4! USER MOD Single : A 64 GLN : amide:sc= -4.58! C(o=-4.6!,f=-4.7!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -3.39! C(o=-4.9!,f=-3.4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : B 332 THR OG1 : rot 180:sc= 0 USER MOD Single : B 337 LYS NZ :NH3+ -129:sc= 0.83 (180deg=-2.34!) USER MOD Single : B 339 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.25) USER MOD Single : B 341 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 44.022 -3.404 -20.557 1.00 0.00 N ATOM 2 CA SER A 5 42.568 -3.102 -20.508 1.00 0.00 C ATOM 3 C SER A 5 42.002 -2.923 -21.914 1.00 0.00 C ATOM 4 O SER A 5 42.700 -2.449 -22.815 1.00 0.00 O ATOM 5 CB SER A 5 42.316 -1.837 -19.682 1.00 0.00 C ATOM 6 OG SER A 5 43.157 -0.774 -20.099 1.00 0.00 O ATOM 0 HA SER A 5 42.063 -3.945 -20.035 1.00 0.00 H new ATOM 0 HB2 SER A 5 41.272 -1.538 -19.780 1.00 0.00 H new ATOM 0 HB3 SER A 5 42.489 -2.048 -18.627 1.00 0.00 H new ATOM 0 HG SER A 5 43.945 -1.139 -20.553 1.00 0.00 H new ATOM 11 N ARG A 6 40.733 -3.308 -22.086 1.00 0.00 N ATOM 12 CA ARG A 6 40.050 -3.200 -23.376 1.00 0.00 C ATOM 13 C ARG A 6 39.182 -1.940 -23.438 1.00 0.00 C ATOM 14 O ARG A 6 39.178 -1.235 -24.453 1.00 0.00 O ATOM 15 CB ARG A 6 39.191 -4.442 -23.630 1.00 0.00 C ATOM 16 CG ARG A 6 39.977 -5.631 -24.156 1.00 0.00 C ATOM 17 CD ARG A 6 39.061 -6.799 -24.490 1.00 0.00 C ATOM 18 NE ARG A 6 39.724 -8.094 -24.292 1.00 0.00 N ATOM 19 CZ ARG A 6 39.214 -9.116 -23.587 1.00 0.00 C ATOM 20 NH1 ARG A 6 38.024 -9.019 -22.995 1.00 0.00 N1+ ATOM 21 NH2 ARG A 6 39.904 -10.243 -23.476 1.00 0.00 N ATOM 0 H ARG A 6 40.156 -3.700 -21.341 1.00 0.00 H new ATOM 0 HA ARG A 6 40.811 -3.129 -24.153 1.00 0.00 H new ATOM 0 HB2 ARG A 6 38.696 -4.727 -22.701 1.00 0.00 H new ATOM 0 HB3 ARG A 6 38.407 -4.191 -24.345 1.00 0.00 H new ATOM 0 HG2 ARG A 6 40.533 -5.336 -25.046 1.00 0.00 H new ATOM 0 HG3 ARG A 6 40.710 -5.943 -23.412 1.00 0.00 H new ATOM 0 HD2 ARG A 6 38.169 -6.750 -23.866 1.00 0.00 H new ATOM 0 HD3 ARG A 6 38.731 -6.716 -25.525 1.00 0.00 H new ATOM 0 HE ARG A 6 40.639 -8.227 -24.722 1.00 0.00 H new ATOM 0 HH11 ARG A 6 37.484 -8.157 -23.073 1.00 0.00 H new ATOM 0 HH12 ARG A 6 37.653 -9.807 -22.463 1.00 0.00 H new ATOM 0 HH21 ARG A 6 40.816 -10.329 -23.925 1.00 0.00 H new ATOM 0 HH22 ARG A 6 39.523 -11.024 -22.942 1.00 0.00 H new ATOM 35 N LEU A 7 38.452 -1.669 -22.349 1.00 0.00 N ATOM 36 CA LEU A 7 37.575 -0.501 -22.266 1.00 0.00 C ATOM 37 C LEU A 7 38.036 0.445 -21.160 1.00 0.00 C ATOM 38 O LEU A 7 38.523 -0.002 -20.118 1.00 0.00 O ATOM 39 CB LEU A 7 36.130 -0.938 -22.012 1.00 0.00 C ATOM 40 CG LEU A 7 35.058 -0.056 -22.656 1.00 0.00 C ATOM 41 CD1 LEU A 7 34.539 -0.696 -23.935 1.00 0.00 C ATOM 42 CD2 LEU A 7 33.918 0.191 -21.680 1.00 0.00 C ATOM 0 H LEU A 7 38.454 -2.249 -21.510 1.00 0.00 H new ATOM 0 HA LEU A 7 37.623 0.029 -23.217 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.006 -1.957 -22.378 1.00 0.00 H new ATOM 0 HB3 LEU A 7 35.959 -0.962 -20.936 1.00 0.00 H new ATOM 0 HG LEU A 7 35.507 0.904 -22.911 1.00 0.00 H new ATOM 0 HD11 LEU A 7 33.777 -0.055 -24.379 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.362 -0.823 -24.638 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.105 -1.669 -23.705 1.00 0.00 H new ATOM 0 HD21 LEU A 7 33.164 0.820 -22.153 1.00 0.00 H new ATOM 0 HD22 LEU A 7 33.470 -0.761 -21.395 1.00 0.00 H new ATOM 0 HD23 LEU A 7 34.302 0.691 -20.791 1.00 0.00 H new ATOM 54 N SER A 8 37.873 1.749 -21.401 1.00 0.00 N ATOM 55 CA SER A 8 38.264 2.778 -20.436 1.00 0.00 C ATOM 56 C SER A 8 37.060 3.254 -19.629 1.00 0.00 C ATOM 57 O SER A 8 35.975 3.454 -20.182 1.00 0.00 O ATOM 58 CB SER A 8 38.912 3.962 -21.156 1.00 0.00 C ATOM 59 OG SER A 8 40.286 4.067 -20.831 1.00 0.00 O ATOM 0 H SER A 8 37.470 2.118 -22.262 1.00 0.00 H new ATOM 0 HA SER A 8 38.988 2.340 -19.749 1.00 0.00 H new ATOM 0 HB2 SER A 8 38.798 3.843 -22.233 1.00 0.00 H new ATOM 0 HB3 SER A 8 38.399 4.884 -20.881 1.00 0.00 H new ATOM 0 HG SER A 8 40.677 4.830 -21.305 1.00 0.00 H new ATOM 65 N ARG A 9 37.266 3.432 -18.320 1.00 0.00 N ATOM 66 CA ARG A 9 36.203 3.883 -17.416 1.00 0.00 C ATOM 67 C ARG A 9 36.314 5.387 -17.140 1.00 0.00 C ATOM 68 O ARG A 9 37.158 5.830 -16.349 1.00 0.00 O ATOM 69 CB ARG A 9 36.206 3.074 -16.093 1.00 0.00 C ATOM 70 CG ARG A 9 37.581 2.905 -15.425 1.00 0.00 C ATOM 71 CD ARG A 9 38.307 1.647 -15.899 1.00 0.00 C ATOM 72 NE ARG A 9 39.468 1.968 -16.738 1.00 0.00 N ATOM 73 CZ ARG A 9 40.745 1.926 -16.327 1.00 0.00 C ATOM 74 NH1 ARG A 9 41.056 1.573 -15.081 1.00 0.00 N1+ ATOM 75 NH2 ARG A 9 41.715 2.238 -17.175 1.00 0.00 N ATOM 0 H ARG A 9 38.163 3.270 -17.862 1.00 0.00 H new ATOM 0 HA ARG A 9 35.250 3.702 -17.913 1.00 0.00 H new ATOM 0 HB2 ARG A 9 35.536 3.563 -15.386 1.00 0.00 H new ATOM 0 HB3 ARG A 9 35.793 2.085 -16.291 1.00 0.00 H new ATOM 0 HG2 ARG A 9 38.196 3.779 -15.639 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.454 2.862 -14.343 1.00 0.00 H new ATOM 0 HD2 ARG A 9 38.633 1.068 -15.035 1.00 0.00 H new ATOM 0 HD3 ARG A 9 37.616 1.019 -16.461 1.00 0.00 H new ATOM 0 HE ARG A 9 39.291 2.243 -17.704 1.00 0.00 H new ATOM 0 HH11 ARG A 9 40.318 1.329 -14.421 1.00 0.00 H new ATOM 0 HH12 ARG A 9 42.032 1.547 -14.787 1.00 0.00 H new ATOM 0 HH21 ARG A 9 41.488 2.508 -18.132 1.00 0.00 H new ATOM 0 HH22 ARG A 9 42.688 2.208 -16.870 1.00 0.00 H new ATOM 89 N SER A 10 35.460 6.165 -17.818 1.00 0.00 N ATOM 90 CA SER A 10 35.428 7.624 -17.666 1.00 0.00 C ATOM 91 C SER A 10 33.996 8.143 -17.768 1.00 0.00 C ATOM 92 O SER A 10 33.306 7.894 -18.763 1.00 0.00 O ATOM 93 CB SER A 10 36.306 8.302 -18.728 1.00 0.00 C ATOM 94 OG SER A 10 37.647 8.419 -18.283 1.00 0.00 O ATOM 0 H SER A 10 34.776 5.803 -18.483 1.00 0.00 H new ATOM 0 HA SER A 10 35.822 7.868 -16.679 1.00 0.00 H new ATOM 0 HB2 SER A 10 36.275 7.725 -19.652 1.00 0.00 H new ATOM 0 HB3 SER A 10 35.908 9.291 -18.956 1.00 0.00 H new ATOM 0 HG SER A 10 37.827 7.737 -17.603 1.00 0.00 H new ATOM 100 N GLY A 11 33.560 8.859 -16.726 1.00 0.00 N ATOM 101 CA GLY A 11 32.213 9.413 -16.696 1.00 0.00 C ATOM 102 C GLY A 11 31.236 8.548 -15.919 1.00 0.00 C ATOM 103 O GLY A 11 31.636 7.567 -15.283 1.00 0.00 O ATOM 0 H GLY A 11 34.121 9.065 -15.899 1.00 0.00 H new ATOM 0 HA2 GLY A 11 32.244 10.407 -16.250 1.00 0.00 H new ATOM 0 HA3 GLY A 11 31.852 9.533 -17.717 1.00 0.00 H new ATOM 107 N ALA A 12 29.953 8.919 -15.975 1.00 0.00 N ATOM 108 CA ALA A 12 28.892 8.186 -15.279 1.00 0.00 C ATOM 109 C ALA A 12 27.740 7.830 -16.219 1.00 0.00 C ATOM 110 O ALA A 12 27.117 6.775 -16.068 1.00 0.00 O ATOM 111 CB ALA A 12 28.378 8.999 -14.099 1.00 0.00 C ATOM 0 H ALA A 12 29.623 9.729 -16.500 1.00 0.00 H new ATOM 0 HA ALA A 12 29.320 7.253 -14.913 1.00 0.00 H new ATOM 0 HB1 ALA A 12 27.590 8.444 -13.590 1.00 0.00 H new ATOM 0 HB2 ALA A 12 29.196 9.188 -13.404 1.00 0.00 H new ATOM 0 HB3 ALA A 12 27.980 9.948 -14.457 1.00 0.00 H new ATOM 117 N SER A 13 27.465 8.717 -17.186 1.00 0.00 N ATOM 118 CA SER A 13 26.386 8.509 -18.153 1.00 0.00 C ATOM 119 C SER A 13 26.917 7.901 -19.453 1.00 0.00 C ATOM 120 O SER A 13 27.789 8.478 -20.110 1.00 0.00 O ATOM 121 CB SER A 13 25.669 9.831 -18.444 1.00 0.00 C ATOM 122 OG SER A 13 26.591 10.853 -18.785 1.00 0.00 O ATOM 0 H SER A 13 27.979 9.588 -17.317 1.00 0.00 H new ATOM 0 HA SER A 13 25.675 7.808 -17.716 1.00 0.00 H new ATOM 0 HB2 SER A 13 24.960 9.691 -19.260 1.00 0.00 H new ATOM 0 HB3 SER A 13 25.093 10.135 -17.570 1.00 0.00 H new ATOM 0 HG SER A 13 27.352 10.461 -19.262 1.00 0.00 H new ATOM 128 N SER A 14 26.382 6.725 -19.802 1.00 0.00 N ATOM 129 CA SER A 14 26.774 6.007 -21.022 1.00 0.00 C ATOM 130 C SER A 14 25.550 5.410 -21.736 1.00 0.00 C ATOM 131 O SER A 14 25.689 4.649 -22.701 1.00 0.00 O ATOM 132 CB SER A 14 27.782 4.899 -20.683 1.00 0.00 C ATOM 133 OG SER A 14 29.049 5.443 -20.357 1.00 0.00 O ATOM 0 H SER A 14 25.670 6.246 -19.251 1.00 0.00 H new ATOM 0 HA SER A 14 27.242 6.722 -21.698 1.00 0.00 H new ATOM 0 HB2 SER A 14 27.410 4.309 -19.846 1.00 0.00 H new ATOM 0 HB3 SER A 14 27.881 4.222 -21.531 1.00 0.00 H new ATOM 0 HG SER A 14 29.672 4.717 -20.144 1.00 0.00 H new ATOM 139 N LEU A 15 24.340 5.780 -21.256 1.00 0.00 N ATOM 140 CA LEU A 15 23.048 5.305 -21.810 1.00 0.00 C ATOM 141 C LEU A 15 22.879 3.778 -21.659 1.00 0.00 C ATOM 142 O LEU A 15 22.317 3.104 -22.534 1.00 0.00 O ATOM 143 CB LEU A 15 22.879 5.737 -23.283 1.00 0.00 C ATOM 144 CG LEU A 15 22.662 7.236 -23.496 1.00 0.00 C ATOM 145 CD1 LEU A 15 23.557 7.753 -24.611 1.00 0.00 C ATOM 146 CD2 LEU A 15 21.199 7.524 -23.806 1.00 0.00 C ATOM 0 H LEU A 15 24.231 6.420 -20.469 1.00 0.00 H new ATOM 0 HA LEU A 15 22.258 5.777 -21.225 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.765 5.431 -23.840 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.033 5.198 -23.709 1.00 0.00 H new ATOM 0 HG LEU A 15 22.927 7.756 -22.576 1.00 0.00 H new ATOM 0 HD11 LEU A 15 23.388 8.821 -24.747 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.601 7.581 -24.349 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.325 7.228 -25.537 1.00 0.00 H new ATOM 0 HD21 LEU A 15 21.063 8.595 -23.955 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.907 6.992 -24.712 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.578 7.191 -22.974 1.00 0.00 H new ATOM 158 N TRP A 16 23.363 3.250 -20.528 1.00 0.00 N ATOM 159 CA TRP A 16 23.277 1.817 -20.228 1.00 0.00 C ATOM 160 C TRP A 16 22.748 1.584 -18.805 1.00 0.00 C ATOM 161 O TRP A 16 22.737 2.506 -17.983 1.00 0.00 O ATOM 162 CB TRP A 16 24.654 1.131 -20.439 1.00 0.00 C ATOM 163 CG TRP A 16 25.797 1.604 -19.549 1.00 0.00 C ATOM 164 CD1 TRP A 16 25.870 2.761 -18.812 1.00 0.00 C ATOM 165 CD2 TRP A 16 27.039 0.916 -19.321 1.00 0.00 C ATOM 166 NE1 TRP A 16 27.069 2.824 -18.144 1.00 0.00 N ATOM 167 CE2 TRP A 16 27.803 1.706 -18.440 1.00 0.00 C ATOM 168 CE3 TRP A 16 27.580 -0.296 -19.773 1.00 0.00 C ATOM 169 CZ2 TRP A 16 29.071 1.328 -18.006 1.00 0.00 C ATOM 170 CZ3 TRP A 16 28.838 -0.669 -19.342 1.00 0.00 C ATOM 171 CH2 TRP A 16 29.571 0.140 -18.465 1.00 0.00 C ATOM 0 H TRP A 16 23.821 3.799 -19.801 1.00 0.00 H new ATOM 0 HA TRP A 16 22.567 1.364 -20.920 1.00 0.00 H new ATOM 0 HB2 TRP A 16 24.527 0.059 -20.289 1.00 0.00 H new ATOM 0 HB3 TRP A 16 24.950 1.274 -21.478 1.00 0.00 H new ATOM 0 HD1 TRP A 16 25.096 3.513 -18.764 1.00 0.00 H new ATOM 0 HE1 TRP A 16 27.365 3.581 -17.527 1.00 0.00 H new ATOM 0 HE3 TRP A 16 27.022 -0.928 -20.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 29.640 1.950 -17.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 29.263 -1.600 -19.687 1.00 0.00 H new ATOM 0 HH2 TRP A 16 30.551 -0.180 -18.144 1.00 0.00 H new ATOM 182 N ASP A 17 22.315 0.345 -18.526 1.00 0.00 N ATOM 183 CA ASP A 17 21.777 -0.023 -17.208 1.00 0.00 C ATOM 184 C ASP A 17 22.903 -0.369 -16.212 1.00 0.00 C ATOM 185 O ASP A 17 23.820 -1.116 -16.562 1.00 0.00 O ATOM 186 CB ASP A 17 20.784 -1.198 -17.323 1.00 0.00 C ATOM 187 CG ASP A 17 21.294 -2.357 -18.173 1.00 0.00 C ATOM 188 OD1 ASP A 17 22.015 -3.220 -17.629 1.00 0.00 O ATOM 189 OD2 ASP A 17 20.969 -2.398 -19.378 1.00 0.00 O1- ATOM 0 H ASP A 17 22.327 -0.422 -19.199 1.00 0.00 H new ATOM 0 HA ASP A 17 21.243 0.846 -16.824 1.00 0.00 H new ATOM 0 HB2 ASP A 17 20.555 -1.567 -16.323 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.850 -0.831 -17.749 1.00 0.00 H new ATOM 194 N PRO A 18 22.850 0.172 -14.951 1.00 0.00 N ATOM 195 CA PRO A 18 23.883 -0.094 -13.924 1.00 0.00 C ATOM 196 C PRO A 18 23.822 -1.517 -13.355 1.00 0.00 C ATOM 197 O PRO A 18 22.778 -2.174 -13.416 1.00 0.00 O ATOM 198 CB PRO A 18 23.570 0.936 -12.832 1.00 0.00 C ATOM 199 CG PRO A 18 22.113 1.226 -12.972 1.00 0.00 C ATOM 200 CD PRO A 18 21.799 1.091 -14.439 1.00 0.00 C ATOM 0 HA PRO A 18 24.887 -0.012 -14.340 1.00 0.00 H new ATOM 0 HB2 PRO A 18 23.799 0.542 -11.842 1.00 0.00 H new ATOM 0 HB3 PRO A 18 24.165 1.840 -12.961 1.00 0.00 H new ATOM 0 HG2 PRO A 18 21.519 0.530 -12.381 1.00 0.00 H new ATOM 0 HG3 PRO A 18 21.879 2.229 -12.614 1.00 0.00 H new ATOM 0 HD2 PRO A 18 20.801 0.683 -14.597 1.00 0.00 H new ATOM 0 HD3 PRO A 18 21.832 2.056 -14.944 1.00 0.00 H new ATOM 208 N ALA A 19 24.952 -1.976 -12.802 1.00 0.00 N ATOM 209 CA ALA A 19 25.045 -3.317 -12.219 1.00 0.00 C ATOM 210 C ALA A 19 25.136 -3.277 -10.690 1.00 0.00 C ATOM 211 O ALA A 19 24.829 -4.271 -10.027 1.00 0.00 O ATOM 212 CB ALA A 19 26.244 -4.055 -12.794 1.00 0.00 C ATOM 0 H ALA A 19 25.815 -1.436 -12.747 1.00 0.00 H new ATOM 0 HA ALA A 19 24.130 -3.849 -12.478 1.00 0.00 H new ATOM 0 HB1 ALA A 19 26.304 -5.050 -12.354 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.134 -4.142 -13.875 1.00 0.00 H new ATOM 0 HB3 ALA A 19 27.155 -3.502 -12.566 1.00 0.00 H new ATOM 218 N SER A 20 25.559 -2.126 -10.135 1.00 0.00 N ATOM 219 CA SER A 20 25.689 -1.959 -8.681 1.00 0.00 C ATOM 220 C SER A 20 25.369 -0.516 -8.231 1.00 0.00 C ATOM 221 O SER A 20 24.535 -0.344 -7.337 1.00 0.00 O ATOM 222 CB SER A 20 27.091 -2.367 -8.199 1.00 0.00 C ATOM 223 OG SER A 20 27.016 -3.374 -7.205 1.00 0.00 O ATOM 0 H SER A 20 25.816 -1.299 -10.674 1.00 0.00 H new ATOM 0 HA SER A 20 24.954 -2.621 -8.222 1.00 0.00 H new ATOM 0 HB2 SER A 20 27.678 -2.728 -9.043 1.00 0.00 H new ATOM 0 HB3 SER A 20 27.610 -1.495 -7.800 1.00 0.00 H new ATOM 0 HG SER A 20 27.921 -3.617 -6.917 1.00 0.00 H new ATOM 229 N PRO A 21 26.009 0.556 -8.821 1.00 0.00 N ATOM 230 CA PRO A 21 25.745 1.953 -8.421 1.00 0.00 C ATOM 231 C PRO A 21 24.439 2.504 -9.003 1.00 0.00 C ATOM 232 O PRO A 21 24.186 2.383 -10.205 1.00 0.00 O ATOM 233 CB PRO A 21 26.949 2.738 -8.982 1.00 0.00 C ATOM 234 CG PRO A 21 27.881 1.712 -9.550 1.00 0.00 C ATOM 235 CD PRO A 21 27.033 0.523 -9.887 1.00 0.00 C ATOM 0 HA PRO A 21 25.631 2.036 -7.340 1.00 0.00 H new ATOM 0 HB2 PRO A 21 26.631 3.444 -9.749 1.00 0.00 H new ATOM 0 HB3 PRO A 21 27.437 3.317 -8.198 1.00 0.00 H new ATOM 0 HG2 PRO A 21 28.387 2.094 -10.437 1.00 0.00 H new ATOM 0 HG3 PRO A 21 28.655 1.447 -8.830 1.00 0.00 H new ATOM 0 HD2 PRO A 21 26.590 0.607 -10.879 1.00 0.00 H new ATOM 0 HD3 PRO A 21 27.607 -0.404 -9.872 1.00 0.00 H new ATOM 243 N ALA A 22 23.621 3.106 -8.132 1.00 0.00 N ATOM 244 CA ALA A 22 22.339 3.685 -8.534 1.00 0.00 C ATOM 245 C ALA A 22 22.201 5.132 -8.013 1.00 0.00 C ATOM 246 O ALA A 22 21.706 5.346 -6.898 1.00 0.00 O ATOM 247 CB ALA A 22 21.188 2.809 -8.042 1.00 0.00 C ATOM 0 H ALA A 22 23.828 3.204 -7.138 1.00 0.00 H new ATOM 0 HA ALA A 22 22.300 3.722 -9.623 1.00 0.00 H new ATOM 0 HB1 ALA A 22 20.239 3.250 -8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 22 21.280 1.812 -8.473 1.00 0.00 H new ATOM 0 HB3 ALA A 22 21.223 2.739 -6.955 1.00 0.00 H new ATOM 253 N PRO A 23 22.654 6.159 -8.802 1.00 0.00 N ATOM 254 CA PRO A 23 22.567 7.579 -8.397 1.00 0.00 C ATOM 255 C PRO A 23 21.147 8.151 -8.501 1.00 0.00 C ATOM 256 O PRO A 23 20.740 8.956 -7.659 1.00 0.00 O ATOM 257 CB PRO A 23 23.503 8.308 -9.382 1.00 0.00 C ATOM 258 CG PRO A 23 24.211 7.235 -10.147 1.00 0.00 C ATOM 259 CD PRO A 23 23.308 6.039 -10.120 1.00 0.00 C ATOM 0 HA PRO A 23 22.844 7.701 -7.350 1.00 0.00 H new ATOM 0 HB2 PRO A 23 22.937 8.956 -10.051 1.00 0.00 H new ATOM 0 HB3 PRO A 23 24.213 8.941 -8.850 1.00 0.00 H new ATOM 0 HG2 PRO A 23 24.407 7.552 -11.171 1.00 0.00 H new ATOM 0 HG3 PRO A 23 25.175 7.005 -9.694 1.00 0.00 H new ATOM 0 HD2 PRO A 23 22.584 6.059 -10.935 1.00 0.00 H new ATOM 0 HD3 PRO A 23 23.866 5.107 -10.212 1.00 0.00 H new ATOM 267 N THR A 24 20.407 7.730 -9.535 1.00 0.00 N ATOM 268 CA THR A 24 19.038 8.200 -9.758 1.00 0.00 C ATOM 269 C THR A 24 18.072 7.034 -9.944 1.00 0.00 C ATOM 270 O THR A 24 18.473 5.945 -10.367 1.00 0.00 O ATOM 271 CB THR A 24 18.945 9.125 -10.990 1.00 0.00 C ATOM 272 OG1 THR A 24 19.748 8.611 -12.061 1.00 0.00 O ATOM 273 CG2 THR A 24 19.399 10.537 -10.646 1.00 0.00 C ATOM 0 H THR A 24 20.737 7.062 -10.232 1.00 0.00 H new ATOM 0 HA THR A 24 18.758 8.763 -8.868 1.00 0.00 H new ATOM 0 HB THR A 24 17.902 9.160 -11.305 1.00 0.00 H new ATOM 0 HG1 THR A 24 19.679 9.206 -12.837 1.00 0.00 H new ATOM 0 HG21 THR A 24 19.324 11.169 -11.531 1.00 0.00 H new ATOM 0 HG22 THR A 24 18.765 10.941 -9.857 1.00 0.00 H new ATOM 0 HG23 THR A 24 20.434 10.513 -10.304 1.00 0.00 H new ATOM 281 N SER A 25 16.796 7.278 -9.624 1.00 0.00 N ATOM 282 CA SER A 25 15.749 6.265 -9.752 1.00 0.00 C ATOM 283 C SER A 25 14.949 6.473 -11.035 1.00 0.00 C ATOM 284 O SER A 25 14.591 7.606 -11.371 1.00 0.00 O ATOM 285 CB SER A 25 14.814 6.313 -8.541 1.00 0.00 C ATOM 286 OG SER A 25 15.485 5.907 -7.361 1.00 0.00 O ATOM 0 H SER A 25 16.465 8.176 -9.272 1.00 0.00 H new ATOM 0 HA SER A 25 16.226 5.286 -9.795 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.430 7.325 -8.414 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.955 5.665 -8.715 1.00 0.00 H new ATOM 0 HG SER A 25 14.866 5.948 -6.602 1.00 0.00 H new ATOM 292 N GLY A 26 14.677 5.372 -11.740 1.00 0.00 N ATOM 293 CA GLY A 26 13.925 5.437 -12.986 1.00 0.00 C ATOM 294 C GLY A 26 13.209 4.128 -13.314 1.00 0.00 C ATOM 295 O GLY A 26 11.975 4.102 -13.313 1.00 0.00 O ATOM 0 H GLY A 26 14.966 4.432 -11.468 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.192 6.241 -12.921 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.603 5.689 -13.801 1.00 0.00 H new ATOM 299 N PRO A 27 13.952 3.013 -13.605 1.00 0.00 N ATOM 300 CA PRO A 27 13.338 1.706 -13.938 1.00 0.00 C ATOM 301 C PRO A 27 12.565 1.069 -12.771 1.00 0.00 C ATOM 302 O PRO A 27 11.546 0.407 -12.987 1.00 0.00 O ATOM 303 CB PRO A 27 14.536 0.830 -14.332 1.00 0.00 C ATOM 304 CG PRO A 27 15.717 1.462 -13.675 1.00 0.00 C ATOM 305 CD PRO A 27 15.435 2.939 -13.650 1.00 0.00 C ATOM 0 HA PRO A 27 12.590 1.817 -14.723 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.400 -0.197 -13.994 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.659 0.796 -15.414 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.856 1.074 -12.666 1.00 0.00 H new ATOM 0 HG3 PRO A 27 16.632 1.249 -14.228 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.886 3.418 -12.781 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.834 3.438 -14.533 1.00 0.00 H new ATOM 313 N ARG A 28 13.063 1.276 -11.545 1.00 0.00 N ATOM 314 CA ARG A 28 12.430 0.725 -10.345 1.00 0.00 C ATOM 315 C ARG A 28 12.216 1.817 -9.279 1.00 0.00 C ATOM 316 O ARG A 28 13.188 2.291 -8.679 1.00 0.00 O ATOM 317 CB ARG A 28 13.278 -0.419 -9.776 1.00 0.00 C ATOM 318 CG ARG A 28 12.459 -1.609 -9.302 1.00 0.00 C ATOM 319 CD ARG A 28 13.348 -2.709 -8.742 1.00 0.00 C ATOM 320 NE ARG A 28 12.610 -3.615 -7.855 1.00 0.00 N ATOM 321 CZ ARG A 28 13.114 -4.178 -6.748 1.00 0.00 C ATOM 322 NH1 ARG A 28 14.369 -3.945 -6.366 1.00 0.00 N1+ ATOM 323 NH2 ARG A 28 12.354 -4.983 -6.019 1.00 0.00 N ATOM 0 H ARG A 28 13.904 1.823 -11.360 1.00 0.00 H new ATOM 0 HA ARG A 28 11.452 0.334 -10.626 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.980 -0.753 -10.540 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.870 -0.041 -8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.753 -1.285 -8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.871 -2.002 -10.132 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.780 -3.279 -9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.177 -2.261 -8.194 1.00 0.00 H new ATOM 0 HE ARG A 28 11.644 -3.832 -8.098 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.964 -3.329 -6.919 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.734 -4.383 -5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.392 -5.171 -6.302 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.731 -5.415 -5.175 1.00 0.00 H new ATOM 337 N PRO A 29 10.938 2.250 -9.034 1.00 0.00 N ATOM 338 CA PRO A 29 10.636 3.280 -8.025 1.00 0.00 C ATOM 339 C PRO A 29 10.567 2.713 -6.595 1.00 0.00 C ATOM 340 O PRO A 29 10.546 1.493 -6.406 1.00 0.00 O ATOM 341 CB PRO A 29 9.272 3.817 -8.476 1.00 0.00 C ATOM 342 CG PRO A 29 8.608 2.678 -9.185 1.00 0.00 C ATOM 343 CD PRO A 29 9.706 1.797 -9.735 1.00 0.00 C ATOM 0 HA PRO A 29 11.412 4.043 -7.971 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.679 4.148 -7.623 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.387 4.676 -9.136 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.971 2.118 -8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.969 3.044 -9.989 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.504 0.744 -9.540 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.801 1.909 -10.815 1.00 0.00 H new ATOM 351 N ARG A 30 10.532 3.612 -5.605 1.00 0.00 N ATOM 352 CA ARG A 30 10.475 3.218 -4.195 1.00 0.00 C ATOM 353 C ARG A 30 9.168 3.681 -3.539 1.00 0.00 C ATOM 354 O ARG A 30 8.439 4.502 -4.102 1.00 0.00 O ATOM 355 CB ARG A 30 11.681 3.794 -3.437 1.00 0.00 C ATOM 356 CG ARG A 30 12.990 3.056 -3.700 1.00 0.00 C ATOM 357 CD ARG A 30 13.843 3.781 -4.731 1.00 0.00 C ATOM 358 NE ARG A 30 14.645 4.850 -4.126 1.00 0.00 N ATOM 359 CZ ARG A 30 15.965 4.778 -3.894 1.00 0.00 C ATOM 360 NH1 ARG A 30 16.664 3.692 -4.221 1.00 0.00 N1+ ATOM 361 NH2 ARG A 30 16.587 5.804 -3.332 1.00 0.00 N ATOM 0 H ARG A 30 10.542 4.621 -5.756 1.00 0.00 H new ATOM 0 HA ARG A 30 10.508 2.130 -4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.804 4.841 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.471 3.769 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 30 13.548 2.959 -2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.775 2.046 -4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.503 3.066 -5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.199 4.203 -5.502 1.00 0.00 H new ATOM 0 HE ARG A 30 14.165 5.710 -3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 30 16.197 2.896 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.667 3.656 -4.037 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.063 6.642 -3.079 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.590 5.756 -3.153 1.00 0.00 H new ATOM 375 N LEU A 31 8.895 3.150 -2.335 1.00 0.00 N ATOM 376 CA LEU A 31 7.690 3.482 -1.562 1.00 0.00 C ATOM 377 C LEU A 31 7.853 4.842 -0.876 1.00 0.00 C ATOM 378 O LEU A 31 8.700 5.009 0.010 1.00 0.00 O ATOM 379 CB LEU A 31 7.424 2.379 -0.513 1.00 0.00 C ATOM 380 CG LEU A 31 6.442 1.241 -0.901 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.168 1.777 -1.532 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.094 0.217 -1.821 1.00 0.00 C ATOM 0 H LEU A 31 9.506 2.478 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 31 6.839 3.541 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.380 1.924 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.044 2.858 0.389 1.00 0.00 H new ATOM 0 HG LEU A 31 6.173 0.741 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.511 0.946 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.662 2.436 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.416 2.334 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.372 -0.562 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.425 0.708 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.952 -0.230 -1.318 1.00 0.00 H new ATOM 394 N TRP A 32 7.038 5.816 -1.309 1.00 0.00 N ATOM 395 CA TRP A 32 7.087 7.185 -0.776 1.00 0.00 C ATOM 396 C TRP A 32 5.693 7.825 -0.781 1.00 0.00 C ATOM 397 O TRP A 32 4.807 7.372 -1.507 1.00 0.00 O ATOM 398 CB TRP A 32 8.092 8.040 -1.592 1.00 0.00 C ATOM 399 CG TRP A 32 7.684 8.308 -3.020 1.00 0.00 C ATOM 400 CD1 TRP A 32 7.560 7.389 -4.024 1.00 0.00 C ATOM 401 CD2 TRP A 32 7.352 9.581 -3.599 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.159 8.007 -5.181 1.00 0.00 N ATOM 403 CE2 TRP A 32 7.030 9.352 -4.949 1.00 0.00 C ATOM 404 CE3 TRP A 32 7.293 10.892 -3.108 1.00 0.00 C ATOM 405 CZ2 TRP A 32 6.655 10.378 -5.812 1.00 0.00 C ATOM 406 CZ3 TRP A 32 6.922 11.910 -3.966 1.00 0.00 C ATOM 407 CH2 TRP A 32 6.606 11.648 -5.305 1.00 0.00 C ATOM 0 H TRP A 32 6.332 5.678 -2.032 1.00 0.00 H new ATOM 0 HA TRP A 32 7.428 7.142 0.258 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.231 8.994 -1.084 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.058 7.536 -1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 32 7.750 6.331 -3.921 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.985 7.541 -6.071 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.533 11.103 -2.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.411 10.179 -6.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.875 12.924 -3.598 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.318 12.465 -5.950 1.00 0.00 H new ATOM 418 N GLU A 33 5.519 8.897 0.010 1.00 0.00 N ATOM 419 CA GLU A 33 4.234 9.609 0.109 1.00 0.00 C ATOM 420 C GLU A 33 3.845 10.265 -1.223 1.00 0.00 C ATOM 421 O GLU A 33 4.542 11.161 -1.716 1.00 0.00 O ATOM 422 CB GLU A 33 4.297 10.664 1.219 1.00 0.00 C ATOM 423 CG GLU A 33 4.100 10.095 2.614 1.00 0.00 C ATOM 424 CD GLU A 33 4.247 11.144 3.699 1.00 0.00 C ATOM 425 OE1 GLU A 33 3.291 11.921 3.907 1.00 0.00 O1- ATOM 426 OE2 GLU A 33 5.317 11.189 4.341 1.00 0.00 O ATOM 0 H GLU A 33 6.257 9.291 0.593 1.00 0.00 H new ATOM 0 HA GLU A 33 3.467 8.875 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.262 11.168 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.534 11.420 1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.110 9.644 2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.825 9.299 2.783 1.00 0.00 H new ATOM 433 N GLY A 34 2.730 9.796 -1.796 1.00 0.00 N ATOM 434 CA GLY A 34 2.241 10.312 -3.066 1.00 0.00 C ATOM 435 C GLY A 34 2.656 9.443 -4.239 1.00 0.00 C ATOM 436 O GLY A 34 2.816 9.940 -5.358 1.00 0.00 O ATOM 0 H GLY A 34 2.153 9.058 -1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.154 10.380 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.619 11.324 -3.214 1.00 0.00 H new ATOM 440 N GLN A 35 2.830 8.143 -3.975 1.00 0.00 N ATOM 441 CA GLN A 35 3.226 7.184 -4.997 1.00 0.00 C ATOM 442 C GLN A 35 2.008 6.367 -5.429 1.00 0.00 C ATOM 443 O GLN A 35 1.418 5.648 -4.616 1.00 0.00 O ATOM 444 CB GLN A 35 4.367 6.283 -4.446 1.00 0.00 C ATOM 445 CG GLN A 35 4.524 4.909 -5.120 1.00 0.00 C ATOM 446 CD GLN A 35 5.905 4.667 -5.705 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.530 5.564 -6.276 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.381 3.433 -5.576 1.00 0.00 N ATOM 0 H GLN A 35 2.700 7.734 -3.050 1.00 0.00 H new ATOM 0 HA GLN A 35 3.607 7.702 -5.877 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.309 6.823 -4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.197 6.126 -3.381 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.307 4.130 -4.389 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.782 4.817 -5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.830 2.721 -5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.297 3.197 -5.957 1.00 0.00 H new ATOM 457 N ASP A 36 1.629 6.491 -6.713 1.00 0.00 N ATOM 458 CA ASP A 36 0.490 5.738 -7.255 1.00 0.00 C ATOM 459 C ASP A 36 0.865 4.262 -7.321 1.00 0.00 C ATOM 460 O ASP A 36 1.707 3.852 -8.128 1.00 0.00 O ATOM 461 CB ASP A 36 0.066 6.261 -8.634 1.00 0.00 C ATOM 462 CG ASP A 36 -0.504 7.667 -8.577 1.00 0.00 C ATOM 463 OD1 ASP A 36 -1.687 7.813 -8.200 1.00 0.00 O ATOM 464 OD2 ASP A 36 0.231 8.620 -8.909 1.00 0.00 O1- ATOM 0 H ASP A 36 2.091 7.100 -7.388 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.368 5.870 -6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.926 6.249 -9.303 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.678 5.588 -9.060 1.00 0.00 H new ATOM 469 N VAL A 37 0.237 3.484 -6.449 1.00 0.00 N ATOM 470 CA VAL A 37 0.523 2.061 -6.329 1.00 0.00 C ATOM 471 C VAL A 37 -0.654 1.178 -6.723 1.00 0.00 C ATOM 472 O VAL A 37 -1.789 1.643 -6.864 1.00 0.00 O ATOM 473 CB VAL A 37 0.926 1.701 -4.870 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.280 2.303 -4.524 1.00 0.00 C ATOM 475 CG2 VAL A 37 -0.147 2.132 -3.852 1.00 0.00 C ATOM 0 H VAL A 37 -0.482 3.820 -5.808 1.00 0.00 H new ATOM 0 HA VAL A 37 1.344 1.869 -7.019 1.00 0.00 H new ATOM 0 HB VAL A 37 1.005 0.615 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.544 2.040 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.036 1.913 -5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.231 3.388 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.176 1.861 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.290 3.211 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.087 1.629 -4.079 1.00 0.00 H new ATOM 485 N LEU A 38 -0.339 -0.103 -6.894 1.00 0.00 N ATOM 486 CA LEU A 38 -1.319 -1.115 -7.219 1.00 0.00 C ATOM 487 C LEU A 38 -1.324 -2.148 -6.108 1.00 0.00 C ATOM 488 O LEU A 38 -0.449 -3.020 -6.028 1.00 0.00 O ATOM 489 CB LEU A 38 -1.002 -1.742 -8.578 1.00 0.00 C ATOM 490 CG LEU A 38 -1.168 -0.806 -9.784 1.00 0.00 C ATOM 491 CD1 LEU A 38 -0.421 -1.350 -10.991 1.00 0.00 C ATOM 492 CD2 LEU A 38 -2.639 -0.613 -10.110 1.00 0.00 C ATOM 0 H LEU A 38 0.612 -0.462 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.313 -0.674 -7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.025 -2.108 -8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.647 -2.609 -8.720 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.742 0.164 -9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.551 -0.673 -11.835 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.640 -1.436 -10.754 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.815 -2.333 -11.250 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.737 0.053 -10.967 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.089 -1.577 -10.346 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.148 -0.176 -9.251 1.00 0.00 H new ATOM 504 N ALA A 39 -2.324 -2.017 -5.242 1.00 0.00 N ATOM 505 CA ALA A 39 -2.495 -2.896 -4.100 1.00 0.00 C ATOM 506 C ALA A 39 -3.345 -4.101 -4.493 1.00 0.00 C ATOM 507 O ALA A 39 -4.551 -3.979 -4.733 1.00 0.00 O ATOM 508 CB ALA A 39 -3.128 -2.115 -2.955 1.00 0.00 C ATOM 0 H ALA A 39 -3.039 -1.294 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.526 -3.269 -3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.258 -2.772 -2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.480 -1.282 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.099 -1.732 -3.269 1.00 0.00 H new ATOM 514 N ARG A 40 -2.693 -5.262 -4.580 1.00 0.00 N ATOM 515 CA ARG A 40 -3.353 -6.512 -4.962 1.00 0.00 C ATOM 516 C ARG A 40 -4.301 -7.001 -3.865 1.00 0.00 C ATOM 517 O ARG A 40 -3.898 -7.152 -2.707 1.00 0.00 O ATOM 518 CB ARG A 40 -2.300 -7.578 -5.255 1.00 0.00 C ATOM 519 CG ARG A 40 -2.610 -8.437 -6.475 1.00 0.00 C ATOM 520 CD ARG A 40 -1.413 -9.283 -6.889 1.00 0.00 C ATOM 521 NE ARG A 40 -1.243 -10.463 -6.032 1.00 0.00 N ATOM 522 CZ ARG A 40 -0.106 -10.793 -5.399 1.00 0.00 C ATOM 523 NH1 ARG A 40 0.987 -10.040 -5.508 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 -0.067 -11.887 -4.651 1.00 0.00 N ATOM 0 H ARG A 40 -1.696 -5.362 -4.388 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.946 -6.325 -5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.336 -7.091 -5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.201 -8.225 -4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.457 -9.088 -6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.907 -7.796 -7.305 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.537 -9.603 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.509 -8.675 -6.850 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.048 -11.077 -5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.970 -9.196 -6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.841 -10.307 -5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.898 -12.472 -4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.794 -12.144 -4.167 1.00 0.00 H new ATOM 538 N TRP A 41 -5.560 -7.238 -4.246 1.00 0.00 N ATOM 539 CA TRP A 41 -6.583 -7.710 -3.308 1.00 0.00 C ATOM 540 C TRP A 41 -6.607 -9.245 -3.244 1.00 0.00 C ATOM 541 O TRP A 41 -6.211 -9.924 -4.195 1.00 0.00 O ATOM 542 CB TRP A 41 -7.953 -7.114 -3.682 1.00 0.00 C ATOM 543 CG TRP A 41 -9.047 -7.318 -2.651 1.00 0.00 C ATOM 544 CD1 TRP A 41 -8.930 -7.317 -1.284 1.00 0.00 C ATOM 545 CD2 TRP A 41 -10.434 -7.541 -2.925 1.00 0.00 C ATOM 546 NE1 TRP A 41 -10.156 -7.533 -0.703 1.00 0.00 N ATOM 547 CE2 TRP A 41 -11.095 -7.672 -1.691 1.00 0.00 C ATOM 548 CE3 TRP A 41 -11.174 -7.643 -4.099 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -12.467 -7.900 -1.603 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -12.535 -7.868 -4.016 1.00 0.00 C ATOM 551 CH2 TRP A 41 -13.171 -7.994 -2.774 1.00 0.00 C ATOM 0 H TRP A 41 -5.896 -7.110 -5.201 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.336 -7.364 -2.304 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.832 -6.044 -3.854 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.278 -7.553 -4.625 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -8.007 -7.168 -0.743 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.337 -7.582 0.300 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -10.692 -7.548 -5.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -12.957 -7.999 -0.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -13.117 -7.948 -4.922 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -14.236 -8.169 -2.739 1.00 0.00 H new ATOM 562 N THR A 42 -7.081 -9.772 -2.102 1.00 0.00 N ATOM 563 CA THR A 42 -7.131 -11.225 -1.838 1.00 0.00 C ATOM 564 C THR A 42 -8.165 -11.988 -2.683 1.00 0.00 C ATOM 565 O THR A 42 -8.199 -13.222 -2.648 1.00 0.00 O ATOM 566 CB THR A 42 -7.418 -11.507 -0.348 1.00 0.00 C ATOM 567 OG1 THR A 42 -8.475 -10.661 0.123 1.00 0.00 O ATOM 568 CG2 THR A 42 -6.173 -11.290 0.499 1.00 0.00 C ATOM 0 H THR A 42 -7.441 -9.205 -1.334 1.00 0.00 H new ATOM 0 HA THR A 42 -6.144 -11.590 -2.122 1.00 0.00 H new ATOM 0 HB THR A 42 -7.722 -12.550 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.649 -10.850 1.069 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.404 -11.496 1.544 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.383 -11.961 0.163 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.839 -10.257 0.398 1.00 0.00 H new ATOM 576 N ASP A 43 -8.995 -11.262 -3.439 1.00 0.00 N ATOM 577 CA ASP A 43 -10.021 -11.891 -4.282 1.00 0.00 C ATOM 578 C ASP A 43 -9.505 -12.152 -5.703 1.00 0.00 C ATOM 579 O ASP A 43 -10.214 -12.739 -6.529 1.00 0.00 O ATOM 580 CB ASP A 43 -11.276 -11.019 -4.328 1.00 0.00 C ATOM 581 CG ASP A 43 -12.426 -11.620 -3.544 1.00 0.00 C ATOM 582 OD1 ASP A 43 -12.491 -11.396 -2.317 1.00 0.00 O ATOM 583 OD2 ASP A 43 -13.263 -12.317 -4.157 1.00 0.00 O1- ATOM 0 H ASP A 43 -8.978 -10.243 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.270 -12.854 -3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.044 -10.032 -3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.581 -10.880 -5.365 1.00 0.00 H new ATOM 588 N GLY A 44 -8.265 -11.723 -5.971 1.00 0.00 N ATOM 589 CA GLY A 44 -7.665 -11.911 -7.284 1.00 0.00 C ATOM 590 C GLY A 44 -7.636 -10.638 -8.113 1.00 0.00 C ATOM 591 O GLY A 44 -6.917 -10.567 -9.114 1.00 0.00 O ATOM 0 H GLY A 44 -7.666 -11.247 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.647 -12.282 -7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.221 -12.677 -7.825 1.00 0.00 H new ATOM 595 N LEU A 45 -8.419 -9.634 -7.695 1.00 0.00 N ATOM 596 CA LEU A 45 -8.494 -8.353 -8.394 1.00 0.00 C ATOM 597 C LEU A 45 -7.511 -7.341 -7.808 1.00 0.00 C ATOM 598 O LEU A 45 -7.198 -7.385 -6.616 1.00 0.00 O ATOM 599 CB LEU A 45 -9.916 -7.797 -8.323 1.00 0.00 C ATOM 600 CG LEU A 45 -10.934 -8.521 -9.203 1.00 0.00 C ATOM 601 CD1 LEU A 45 -12.199 -8.816 -8.416 1.00 0.00 C ATOM 602 CD2 LEU A 45 -11.250 -7.696 -10.437 1.00 0.00 C ATOM 0 H LEU A 45 -9.013 -9.690 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.224 -8.525 -9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.256 -7.840 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.894 -6.745 -8.608 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.503 -9.468 -9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.914 -9.332 -9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.957 -9.447 -7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.635 -7.881 -8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.977 -8.226 -11.053 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.664 -6.734 -10.135 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.337 -7.535 -11.010 1.00 0.00 H new ATOM 614 N LEU A 46 -7.032 -6.439 -8.668 1.00 0.00 N ATOM 615 CA LEU A 46 -6.087 -5.396 -8.283 1.00 0.00 C ATOM 616 C LEU A 46 -6.821 -4.121 -7.828 1.00 0.00 C ATOM 617 O LEU A 46 -8.009 -3.945 -8.117 1.00 0.00 O ATOM 618 CB LEU A 46 -5.187 -5.101 -9.490 1.00 0.00 C ATOM 619 CG LEU A 46 -4.053 -4.103 -9.283 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.862 -4.741 -8.585 1.00 0.00 C ATOM 621 CD2 LEU A 46 -3.656 -3.552 -10.625 1.00 0.00 C ATOM 0 H LEU A 46 -7.292 -6.414 -9.654 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.487 -5.737 -7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.752 -6.042 -9.826 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.817 -4.734 -10.300 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.398 -3.297 -8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.075 -3.998 -8.456 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.170 -5.116 -7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.486 -5.567 -9.189 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.845 -2.835 -10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.323 -4.366 -11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.512 -3.055 -11.082 1.00 0.00 H new ATOM 633 N TYR A 47 -6.082 -3.231 -7.148 1.00 0.00 N ATOM 634 CA TYR A 47 -6.620 -1.971 -6.629 1.00 0.00 C ATOM 635 C TYR A 47 -5.612 -0.845 -6.868 1.00 0.00 C ATOM 636 O TYR A 47 -4.410 -1.047 -6.682 1.00 0.00 O ATOM 637 CB TYR A 47 -6.884 -2.072 -5.108 1.00 0.00 C ATOM 638 CG TYR A 47 -8.140 -2.822 -4.640 1.00 0.00 C ATOM 639 CD1 TYR A 47 -9.088 -3.362 -5.513 1.00 0.00 C ATOM 640 CD2 TYR A 47 -8.374 -2.962 -3.275 1.00 0.00 C ATOM 641 CE1 TYR A 47 -10.215 -4.008 -5.039 1.00 0.00 C ATOM 642 CE2 TYR A 47 -9.496 -3.611 -2.797 1.00 0.00 C ATOM 643 CZ TYR A 47 -10.413 -4.129 -3.682 1.00 0.00 C ATOM 644 OH TYR A 47 -11.536 -4.764 -3.207 1.00 0.00 O ATOM 0 H TYR A 47 -5.092 -3.368 -6.944 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.557 -1.764 -7.147 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.019 -2.552 -4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.933 -1.058 -4.710 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.938 -3.273 -6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.662 -2.554 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.937 -4.416 -5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.653 -3.711 -1.733 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.433 -5.733 -3.313 1.00 0.00 H new ATOM 654 N LEU A 48 -6.097 0.332 -7.283 1.00 0.00 N ATOM 655 CA LEU A 48 -5.223 1.487 -7.513 1.00 0.00 C ATOM 656 C LEU A 48 -5.244 2.408 -6.299 1.00 0.00 C ATOM 657 O LEU A 48 -6.292 2.606 -5.680 1.00 0.00 O ATOM 658 CB LEU A 48 -5.638 2.256 -8.784 1.00 0.00 C ATOM 659 CG LEU A 48 -4.873 3.567 -9.072 1.00 0.00 C ATOM 660 CD1 LEU A 48 -3.495 3.287 -9.659 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.679 4.457 -10.006 1.00 0.00 C ATOM 0 H LEU A 48 -7.085 0.508 -7.465 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.207 1.122 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.515 1.593 -9.640 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.700 2.489 -8.711 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.732 4.088 -8.125 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.983 4.230 -9.850 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.913 2.694 -8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.603 2.736 -10.594 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.127 5.377 -10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.853 3.934 -10.946 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.635 4.699 -9.543 1.00 0.00 H new ATOM 673 N GLY A 49 -4.077 2.973 -5.982 1.00 0.00 N ATOM 674 CA GLY A 49 -3.973 3.866 -4.836 1.00 0.00 C ATOM 675 C GLY A 49 -2.761 4.776 -4.869 1.00 0.00 C ATOM 676 O GLY A 49 -1.980 4.753 -5.820 1.00 0.00 O ATOM 0 H GLY A 49 -3.207 2.829 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.873 4.479 -4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.941 3.268 -3.925 1.00 0.00 H new ATOM 680 N THR A 50 -2.643 5.602 -3.826 1.00 0.00 N ATOM 681 CA THR A 50 -1.521 6.526 -3.659 1.00 0.00 C ATOM 682 C THR A 50 -1.033 6.450 -2.223 1.00 0.00 C ATOM 683 O THR A 50 -1.825 6.542 -1.284 1.00 0.00 O ATOM 684 CB THR A 50 -1.877 7.989 -4.015 1.00 0.00 C ATOM 685 OG1 THR A 50 -3.129 8.052 -4.713 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.781 8.606 -4.877 1.00 0.00 C ATOM 0 H THR A 50 -3.327 5.648 -3.071 1.00 0.00 H new ATOM 0 HA THR A 50 -0.739 6.221 -4.355 1.00 0.00 H new ATOM 0 HB THR A 50 -1.963 8.551 -3.085 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.337 8.985 -4.928 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.045 9.635 -5.120 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.162 8.593 -4.331 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.676 8.032 -5.797 1.00 0.00 H new ATOM 694 N ILE A 51 0.282 6.297 -2.066 1.00 0.00 N ATOM 695 CA ILE A 51 0.921 6.140 -0.750 1.00 0.00 C ATOM 696 C ILE A 51 0.723 7.344 0.174 1.00 0.00 C ATOM 697 O ILE A 51 1.166 8.456 -0.116 1.00 0.00 O ATOM 698 CB ILE A 51 2.438 5.806 -0.913 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.608 4.541 -1.789 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.149 5.627 0.443 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.042 3.267 -1.176 1.00 0.00 C ATOM 0 H ILE A 51 0.939 6.278 -2.846 1.00 0.00 H new ATOM 0 HA ILE A 51 0.419 5.303 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 51 2.910 6.655 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.124 4.713 -2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.669 4.393 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.201 5.396 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.067 6.548 1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.682 4.810 0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.205 2.432 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.542 3.066 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.973 3.390 -1.003 1.00 0.00 H new ATOM 713 N LYS A 52 0.038 7.079 1.287 1.00 0.00 N ATOM 714 CA LYS A 52 -0.223 8.084 2.313 1.00 0.00 C ATOM 715 C LYS A 52 0.783 7.948 3.460 1.00 0.00 C ATOM 716 O LYS A 52 1.060 8.921 4.167 1.00 0.00 O ATOM 717 CB LYS A 52 -1.650 7.946 2.847 1.00 0.00 C ATOM 718 CG LYS A 52 -2.414 9.261 2.877 1.00 0.00 C ATOM 719 CD LYS A 52 -3.742 9.119 3.610 1.00 0.00 C ATOM 720 CE LYS A 52 -3.742 9.876 4.932 1.00 0.00 C ATOM 721 NZ LYS A 52 -3.910 11.344 4.735 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.351 6.161 1.501 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.112 9.071 1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.194 7.232 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.614 7.532 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.808 10.024 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.595 9.601 1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.548 9.492 2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.944 8.064 3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.546 9.501 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.807 9.686 5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.904 11.821 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.129 11.708 4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.814 11.529 4.255 1.00 0.00 H new ATOM 735 N LYS A 53 1.325 6.726 3.635 1.00 0.00 N ATOM 736 CA LYS A 53 2.312 6.436 4.685 1.00 0.00 C ATOM 737 C LYS A 53 3.277 5.346 4.219 1.00 0.00 C ATOM 738 O LYS A 53 2.961 4.577 3.307 1.00 0.00 O ATOM 739 CB LYS A 53 1.620 6.009 5.990 1.00 0.00 C ATOM 740 CG LYS A 53 2.207 6.653 7.247 1.00 0.00 C ATOM 741 CD LYS A 53 1.128 7.000 8.272 1.00 0.00 C ATOM 742 CE LYS A 53 0.735 8.471 8.197 1.00 0.00 C ATOM 743 NZ LYS A 53 -0.667 8.696 8.648 1.00 0.00 N1+ ATOM 0 H LYS A 53 1.091 5.920 3.055 1.00 0.00 H new ATOM 0 HA LYS A 53 2.876 7.348 4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.561 6.260 5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.685 4.925 6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.930 5.973 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.749 7.558 6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.249 6.379 8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.490 6.770 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.414 9.060 8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.848 8.825 7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.895 9.709 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.317 8.155 8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.769 8.382 9.634 1.00 0.00 H new ATOM 757 N VAL A 54 4.448 5.283 4.861 1.00 0.00 N ATOM 758 CA VAL A 54 5.482 4.303 4.502 1.00 0.00 C ATOM 759 C VAL A 54 6.108 3.669 5.749 1.00 0.00 C ATOM 760 O VAL A 54 6.443 4.359 6.715 1.00 0.00 O ATOM 761 CB VAL A 54 6.604 4.942 3.616 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.753 3.968 3.353 1.00 0.00 C ATOM 763 CG2 VAL A 54 6.043 5.425 2.284 1.00 0.00 C ATOM 0 H VAL A 54 4.705 5.899 5.632 1.00 0.00 H new ATOM 0 HA VAL A 54 4.986 3.524 3.922 1.00 0.00 H new ATOM 0 HB VAL A 54 6.993 5.792 4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.508 4.454 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.199 3.667 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.372 3.087 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.844 5.864 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.611 4.582 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.272 6.174 2.464 1.00 0.00 H new ATOM 773 N ASP A 55 6.250 2.344 5.691 1.00 0.00 N ATOM 774 CA ASP A 55 6.857 1.557 6.761 1.00 0.00 C ATOM 775 C ASP A 55 8.031 0.744 6.193 1.00 0.00 C ATOM 776 O ASP A 55 7.893 -0.443 5.874 1.00 0.00 O ATOM 777 CB ASP A 55 5.809 0.642 7.415 1.00 0.00 C ATOM 778 CG ASP A 55 5.093 1.317 8.567 1.00 0.00 C ATOM 779 OD1 ASP A 55 4.130 2.070 8.308 1.00 0.00 O1- ATOM 780 OD2 ASP A 55 5.493 1.094 9.728 1.00 0.00 O ATOM 0 H ASP A 55 5.945 1.785 4.894 1.00 0.00 H new ATOM 0 HA ASP A 55 7.238 2.225 7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.079 0.337 6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.296 -0.265 7.774 1.00 0.00 H new ATOM 785 N SER A 56 9.188 1.412 6.056 1.00 0.00 N ATOM 786 CA SER A 56 10.408 0.793 5.509 1.00 0.00 C ATOM 787 C SER A 56 11.098 -0.158 6.505 1.00 0.00 C ATOM 788 O SER A 56 12.116 -0.777 6.174 1.00 0.00 O ATOM 789 CB SER A 56 11.387 1.885 5.069 1.00 0.00 C ATOM 790 OG SER A 56 10.773 2.793 4.169 1.00 0.00 O ATOM 0 H SER A 56 9.305 2.390 6.319 1.00 0.00 H new ATOM 0 HA SER A 56 10.104 0.189 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.750 2.425 5.943 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.255 1.429 4.593 1.00 0.00 H new ATOM 0 HG SER A 56 10.239 2.295 3.515 1.00 0.00 H new ATOM 796 N ALA A 57 10.531 -0.278 7.714 1.00 0.00 N ATOM 797 CA ALA A 57 11.083 -1.150 8.753 1.00 0.00 C ATOM 798 C ALA A 57 10.517 -2.571 8.657 1.00 0.00 C ATOM 799 O ALA A 57 11.251 -3.549 8.833 1.00 0.00 O ATOM 800 CB ALA A 57 10.811 -0.563 10.132 1.00 0.00 C ATOM 0 H ALA A 57 9.687 0.221 7.994 1.00 0.00 H new ATOM 0 HA ALA A 57 12.160 -1.212 8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.226 -1.221 10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.276 0.420 10.207 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.735 -0.468 10.281 1.00 0.00 H new ATOM 806 N ARG A 58 9.212 -2.671 8.375 1.00 0.00 N ATOM 807 CA ARG A 58 8.530 -3.963 8.257 1.00 0.00 C ATOM 808 C ARG A 58 8.155 -4.281 6.798 1.00 0.00 C ATOM 809 O ARG A 58 7.456 -5.265 6.531 1.00 0.00 O ATOM 810 CB ARG A 58 7.276 -3.968 9.139 1.00 0.00 C ATOM 811 CG ARG A 58 7.561 -4.249 10.606 1.00 0.00 C ATOM 812 CD ARG A 58 6.514 -3.618 11.509 1.00 0.00 C ATOM 813 NE ARG A 58 6.747 -3.929 12.924 1.00 0.00 N ATOM 814 CZ ARG A 58 6.758 -3.025 13.915 1.00 0.00 C ATOM 815 NH1 ARG A 58 6.543 -1.732 13.675 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 6.985 -3.423 15.160 1.00 0.00 N ATOM 0 H ARG A 58 8.605 -1.865 8.224 1.00 0.00 H new ATOM 0 HA ARG A 58 9.218 -4.738 8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.779 -3.002 9.053 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.581 -4.719 8.763 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.585 -5.326 10.773 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.547 -3.864 10.866 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.520 -2.537 11.370 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.525 -3.971 11.219 1.00 0.00 H new ATOM 0 HE ARG A 58 6.913 -4.904 13.172 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.366 -1.413 12.723 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.556 -1.062 14.444 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.150 -4.410 15.358 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.995 -2.742 15.919 1.00 0.00 H new ATOM 830 N GLU A 59 8.643 -3.449 5.847 1.00 0.00 N ATOM 831 CA GLU A 59 8.366 -3.605 4.396 1.00 0.00 C ATOM 832 C GLU A 59 6.863 -3.477 4.098 1.00 0.00 C ATOM 833 O GLU A 59 6.272 -4.286 3.369 1.00 0.00 O ATOM 834 CB GLU A 59 8.930 -4.939 3.855 1.00 0.00 C ATOM 835 CG GLU A 59 10.444 -4.943 3.691 1.00 0.00 C ATOM 836 CD GLU A 59 10.888 -4.419 2.338 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.654 -5.113 1.326 1.00 0.00 O ATOM 838 OE2 GLU A 59 11.471 -3.315 2.291 1.00 0.00 O1- ATOM 0 H GLU A 59 9.240 -2.650 6.063 1.00 0.00 H new ATOM 0 HA GLU A 59 8.878 -2.795 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.645 -5.745 4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.469 -5.154 2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.892 -4.334 4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.817 -5.959 3.823 1.00 0.00 H new ATOM 845 N VAL A 60 6.261 -2.433 4.679 1.00 0.00 N ATOM 846 CA VAL A 60 4.831 -2.149 4.517 1.00 0.00 C ATOM 847 C VAL A 60 4.622 -0.658 4.208 1.00 0.00 C ATOM 848 O VAL A 60 5.520 0.155 4.429 1.00 0.00 O ATOM 849 CB VAL A 60 4.005 -2.524 5.792 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.535 -2.749 5.457 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.563 -3.757 6.501 1.00 0.00 C ATOM 0 H VAL A 60 6.750 -1.763 5.273 1.00 0.00 H new ATOM 0 HA VAL A 60 4.476 -2.763 3.689 1.00 0.00 H new ATOM 0 HB VAL A 60 4.090 -1.675 6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.990 -3.008 6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.116 -1.838 5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.446 -3.562 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.956 -3.977 7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.540 -4.609 5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.591 -3.566 6.809 1.00 0.00 H new ATOM 861 N CYS A 61 3.440 -0.321 3.671 1.00 0.00 N ATOM 862 CA CYS A 61 3.083 1.066 3.335 1.00 0.00 C ATOM 863 C CYS A 61 1.578 1.247 3.338 1.00 0.00 C ATOM 864 O CYS A 61 0.833 0.331 2.974 1.00 0.00 O ATOM 865 CB CYS A 61 3.625 1.471 1.961 1.00 0.00 C ATOM 866 SG CYS A 61 5.310 2.123 2.011 1.00 0.00 S ATOM 0 H CYS A 61 2.708 -0.998 3.458 1.00 0.00 H new ATOM 0 HA CYS A 61 3.535 1.703 4.095 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.599 0.605 1.300 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.966 2.223 1.527 1.00 0.00 H new ATOM 0 HG CYS A 61 6.134 1.231 1.548 1.00 0.00 H new ATOM 872 N LEU A 62 1.141 2.436 3.751 1.00 0.00 N ATOM 873 CA LEU A 62 -0.276 2.768 3.774 1.00 0.00 C ATOM 874 C LEU A 62 -0.599 3.588 2.544 1.00 0.00 C ATOM 875 O LEU A 62 0.132 4.523 2.209 1.00 0.00 O ATOM 876 CB LEU A 62 -0.660 3.545 5.045 1.00 0.00 C ATOM 877 CG LEU A 62 -1.998 3.154 5.727 1.00 0.00 C ATOM 878 CD1 LEU A 62 -3.149 3.039 4.722 1.00 0.00 C ATOM 879 CD2 LEU A 62 -1.847 1.859 6.517 1.00 0.00 C ATOM 0 H LEU A 62 1.753 3.185 4.074 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.853 1.843 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.141 3.422 5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.703 4.605 4.795 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.249 3.959 6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.064 2.764 5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.292 3.997 4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.911 2.275 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.798 1.606 6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.549 1.055 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.086 1.989 7.287 1.00 0.00 H new ATOM 891 N VAL A 63 -1.688 3.229 1.874 1.00 0.00 N ATOM 892 CA VAL A 63 -2.081 3.908 0.648 1.00 0.00 C ATOM 893 C VAL A 63 -3.567 4.261 0.650 1.00 0.00 C ATOM 894 O VAL A 63 -4.401 3.510 1.166 1.00 0.00 O ATOM 895 CB VAL A 63 -1.691 3.058 -0.623 1.00 0.00 C ATOM 896 CG1 VAL A 63 -1.023 1.741 -0.247 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.873 2.789 -1.539 1.00 0.00 C ATOM 0 H VAL A 63 -2.312 2.474 2.159 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.528 4.846 0.602 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.975 3.671 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.772 1.189 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.114 1.943 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.705 1.148 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.543 2.201 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.638 2.238 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.287 3.736 -1.887 1.00 0.00 H new ATOM 907 N GLN A 64 -3.868 5.424 0.062 1.00 0.00 N ATOM 908 CA GLN A 64 -5.238 5.911 -0.070 1.00 0.00 C ATOM 909 C GLN A 64 -5.749 5.514 -1.453 1.00 0.00 C ATOM 910 O GLN A 64 -5.056 5.722 -2.455 1.00 0.00 O ATOM 911 CB GLN A 64 -5.303 7.435 0.117 1.00 0.00 C ATOM 912 CG GLN A 64 -6.690 7.963 0.497 1.00 0.00 C ATOM 913 CD GLN A 64 -6.664 8.846 1.731 1.00 0.00 C ATOM 914 OE1 GLN A 64 -6.049 9.913 1.734 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.339 8.407 2.787 1.00 0.00 N ATOM 0 H GLN A 64 -3.167 6.050 -0.334 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.864 5.467 0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.592 7.725 0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.984 7.917 -0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.101 8.528 -0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.359 7.121 0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.835 7.517 2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.362 8.960 3.644 1.00 0.00 H new ATOM 924 N PHE A 65 -6.949 4.953 -1.499 1.00 0.00 N ATOM 925 CA PHE A 65 -7.524 4.469 -2.748 1.00 0.00 C ATOM 926 C PHE A 65 -8.543 5.438 -3.347 1.00 0.00 C ATOM 927 O PHE A 65 -9.033 6.343 -2.665 1.00 0.00 O ATOM 928 CB PHE A 65 -8.126 3.085 -2.499 1.00 0.00 C ATOM 929 CG PHE A 65 -7.078 2.063 -2.127 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.573 1.990 -0.836 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.579 1.202 -3.078 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.597 1.071 -0.512 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.605 0.282 -2.760 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.115 0.217 -1.478 1.00 0.00 C ATOM 0 H PHE A 65 -7.546 4.821 -0.683 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.733 4.396 -3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.865 3.151 -1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.652 2.754 -3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.949 2.660 -0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.957 1.249 -4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.212 1.022 0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.227 -0.388 -3.518 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.351 -0.505 -1.228 1.00 0.00 H new ATOM 944 N GLU A 66 -8.846 5.225 -4.644 1.00 0.00 N ATOM 945 CA GLU A 66 -9.786 6.061 -5.412 1.00 0.00 C ATOM 946 C GLU A 66 -11.152 6.208 -4.734 1.00 0.00 C ATOM 947 O GLU A 66 -11.717 7.306 -4.720 1.00 0.00 O ATOM 948 CB GLU A 66 -9.971 5.488 -6.815 1.00 0.00 C ATOM 949 CG GLU A 66 -10.000 6.553 -7.903 1.00 0.00 C ATOM 950 CD GLU A 66 -8.611 7.015 -8.316 1.00 0.00 C ATOM 951 OE1 GLU A 66 -8.012 6.383 -9.211 1.00 0.00 O1- ATOM 952 OE2 GLU A 66 -8.125 8.013 -7.743 1.00 0.00 O ATOM 0 H GLU A 66 -8.442 4.463 -5.189 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.345 7.056 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.162 4.788 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.901 4.920 -6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.521 6.159 -8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.573 7.411 -7.550 1.00 0.00 H new ATOM 959 N ASP A 67 -11.680 5.106 -4.175 1.00 0.00 N ATOM 960 CA ASP A 67 -12.978 5.141 -3.500 1.00 0.00 C ATOM 961 C ASP A 67 -12.825 5.523 -2.003 1.00 0.00 C ATOM 962 O ASP A 67 -13.584 5.063 -1.140 1.00 0.00 O ATOM 963 CB ASP A 67 -13.681 3.787 -3.711 1.00 0.00 C ATOM 964 CG ASP A 67 -15.131 3.767 -3.247 1.00 0.00 C ATOM 965 OD1 ASP A 67 -16.009 4.192 -4.027 1.00 0.00 O ATOM 966 OD2 ASP A 67 -15.383 3.328 -2.106 1.00 0.00 O1- ATOM 0 H ASP A 67 -11.229 4.191 -4.179 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.605 5.920 -3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.645 3.531 -4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.128 3.014 -3.177 1.00 0.00 H new ATOM 971 N ASP A 68 -11.825 6.395 -1.716 1.00 0.00 N ATOM 972 CA ASP A 68 -11.533 6.918 -0.357 1.00 0.00 C ATOM 973 C ASP A 68 -11.371 5.813 0.706 1.00 0.00 C ATOM 974 O ASP A 68 -12.100 5.778 1.707 1.00 0.00 O ATOM 975 CB ASP A 68 -12.603 7.940 0.075 1.00 0.00 C ATOM 976 CG ASP A 68 -12.437 9.278 -0.617 1.00 0.00 C ATOM 977 OD1 ASP A 68 -12.925 9.421 -1.759 1.00 0.00 O1- ATOM 978 OD2 ASP A 68 -11.821 10.184 -0.019 1.00 0.00 O ATOM 0 H ASP A 68 -11.193 6.758 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.566 7.417 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.593 7.541 -0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.550 8.083 1.154 1.00 0.00 H new ATOM 983 N SER A 69 -10.411 4.912 0.476 1.00 0.00 N ATOM 984 CA SER A 69 -10.143 3.821 1.412 1.00 0.00 C ATOM 985 C SER A 69 -8.696 3.826 1.874 1.00 0.00 C ATOM 986 O SER A 69 -7.774 3.864 1.056 1.00 0.00 O ATOM 987 CB SER A 69 -10.468 2.462 0.780 1.00 0.00 C ATOM 988 OG SER A 69 -11.066 1.592 1.726 1.00 0.00 O ATOM 0 H SER A 69 -9.810 4.918 -0.348 1.00 0.00 H new ATOM 0 HA SER A 69 -10.787 3.979 2.277 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.140 2.602 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.555 2.010 0.391 1.00 0.00 H new ATOM 0 HG SER A 69 -11.266 0.733 1.300 1.00 0.00 H new ATOM 994 N GLN A 70 -8.509 3.814 3.198 1.00 0.00 N ATOM 995 CA GLN A 70 -7.177 3.753 3.789 1.00 0.00 C ATOM 996 C GLN A 70 -6.896 2.298 4.142 1.00 0.00 C ATOM 997 O GLN A 70 -7.276 1.807 5.214 1.00 0.00 O ATOM 998 CB GLN A 70 -7.066 4.665 5.019 1.00 0.00 C ATOM 999 CG GLN A 70 -6.421 6.011 4.718 1.00 0.00 C ATOM 1000 CD GLN A 70 -4.904 5.951 4.705 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.322 5.989 3.512 1.00 0.00 O flip ATOM 1002 NE2 GLN A 70 -4.265 5.870 5.754 1.00 0.00 N flip ATOM 0 H GLN A 70 -9.268 3.846 3.878 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.434 4.114 3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.062 4.831 5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.485 4.156 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.773 6.369 3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.744 6.738 5.463 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.754 5.844 6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.246 5.829 5.729 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.236 1.616 3.211 1.00 0.00 N ATOM 1012 CA PHE A 71 -5.948 0.198 3.344 1.00 0.00 C ATOM 1013 C PHE A 71 -4.447 -0.070 3.400 1.00 0.00 C ATOM 1014 O PHE A 71 -3.684 0.394 2.549 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.606 -0.531 2.154 1.00 0.00 C ATOM 1016 CG PHE A 71 -7.910 -1.261 2.438 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.685 -1.011 3.574 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.364 -2.207 1.535 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -9.867 -1.693 3.790 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.547 -2.890 1.748 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.297 -2.635 2.878 1.00 0.00 C ATOM 0 H PHE A 71 -5.888 2.032 2.347 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.356 -0.175 4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.789 0.200 1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.891 -1.253 1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.356 -0.275 4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.784 -2.415 0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.455 -1.489 4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.884 -3.623 1.030 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.219 -3.172 3.048 1.00 0.00 H new ATOM 1031 N LEU A 72 -4.048 -0.834 4.428 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.650 -1.204 4.671 1.00 0.00 C ATOM 1033 C LEU A 72 -2.199 -2.302 3.695 1.00 0.00 C ATOM 1034 O LEU A 72 -2.782 -3.393 3.665 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.519 -1.681 6.126 1.00 0.00 C ATOM 1036 CG LEU A 72 -1.094 -1.874 6.654 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -0.927 -1.193 8.003 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -0.774 -3.356 6.765 1.00 0.00 C ATOM 0 H LEU A 72 -4.695 -1.215 5.119 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.007 -0.339 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.027 -0.962 6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.051 -2.627 6.224 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.398 -1.416 5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.092 -1.341 8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.123 -0.126 7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.629 -1.623 8.717 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.241 -3.482 7.141 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.476 -3.830 7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.857 -3.821 5.783 1.00 0.00 H new ATOM 1050 N VAL A 73 -1.168 -1.998 2.900 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.644 -2.956 1.911 1.00 0.00 C ATOM 1052 C VAL A 73 0.845 -3.229 2.110 1.00 0.00 C ATOM 1053 O VAL A 73 1.594 -2.368 2.579 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.861 -2.497 0.438 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -1.059 -3.703 -0.478 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -2.035 -1.527 0.309 1.00 0.00 C ATOM 0 H VAL A 73 -0.680 -1.103 2.919 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.216 -3.868 2.082 1.00 0.00 H new ATOM 0 HB VAL A 73 0.038 -1.964 0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.209 -3.361 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.177 -4.342 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.933 -4.268 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.151 -1.232 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.948 -2.013 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.845 -0.642 0.917 1.00 0.00 H new ATOM 1066 N LEU A 74 1.248 -4.449 1.728 1.00 0.00 N ATOM 1067 CA LEU A 74 2.638 -4.897 1.820 1.00 0.00 C ATOM 1068 C LEU A 74 3.385 -4.578 0.529 1.00 0.00 C ATOM 1069 O LEU A 74 2.791 -4.594 -0.550 1.00 0.00 O ATOM 1070 CB LEU A 74 2.705 -6.423 2.076 1.00 0.00 C ATOM 1071 CG LEU A 74 2.054 -6.968 3.373 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.413 -6.125 4.588 1.00 0.00 C ATOM 1073 CD2 LEU A 74 0.540 -7.081 3.227 1.00 0.00 C ATOM 0 H LEU A 74 0.615 -5.152 1.346 1.00 0.00 H new ATOM 0 HA LEU A 74 3.105 -4.371 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.237 -6.925 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.755 -6.716 2.080 1.00 0.00 H new ATOM 0 HG LEU A 74 2.459 -7.967 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.936 -6.543 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.494 -6.125 4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.066 -5.103 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.113 -7.466 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.120 -6.098 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.303 -7.760 2.408 1.00 0.00 H new ATOM 1085 N TRP A 75 4.696 -4.319 0.644 1.00 0.00 N ATOM 1086 CA TRP A 75 5.546 -3.997 -0.524 1.00 0.00 C ATOM 1087 C TRP A 75 5.588 -5.148 -1.547 1.00 0.00 C ATOM 1088 O TRP A 75 6.004 -4.948 -2.691 1.00 0.00 O ATOM 1089 CB TRP A 75 6.977 -3.649 -0.080 1.00 0.00 C ATOM 1090 CG TRP A 75 7.120 -2.355 0.693 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.154 -1.697 1.409 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.318 -1.572 0.838 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.674 -0.560 1.972 1.00 0.00 N ATOM 1094 CE2 TRP A 75 7.997 -0.461 1.641 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.633 -1.698 0.368 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 8.933 0.510 1.983 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.561 -0.731 0.710 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.206 0.360 1.512 1.00 0.00 C ATOM 0 H TRP A 75 5.196 -4.325 1.533 1.00 0.00 H new ATOM 0 HA TRP A 75 5.096 -3.131 -1.009 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.357 -4.464 0.536 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.611 -3.596 -0.965 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.131 -2.027 1.514 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.157 0.106 2.546 1.00 0.00 H new ATOM 0 HE3 TRP A 75 9.917 -2.536 -0.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.662 1.354 2.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.576 -0.819 0.352 1.00 0.00 H new ATOM 0 HH2 TRP A 75 10.954 1.098 1.763 1.00 0.00 H new ATOM 1109 N LYS A 76 5.153 -6.346 -1.119 1.00 0.00 N ATOM 1110 CA LYS A 76 5.119 -7.532 -1.993 1.00 0.00 C ATOM 1111 C LYS A 76 3.801 -7.602 -2.782 1.00 0.00 C ATOM 1112 O LYS A 76 3.763 -8.146 -3.889 1.00 0.00 O ATOM 1113 CB LYS A 76 5.336 -8.834 -1.187 1.00 0.00 C ATOM 1114 CG LYS A 76 4.547 -8.936 0.119 1.00 0.00 C ATOM 1115 CD LYS A 76 4.435 -10.379 0.588 1.00 0.00 C ATOM 1116 CE LYS A 76 4.057 -10.462 2.061 1.00 0.00 C ATOM 1117 NZ LYS A 76 5.204 -10.901 2.903 1.00 0.00 N1+ ATOM 0 H LYS A 76 4.819 -6.519 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 76 5.939 -7.434 -2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.070 -9.681 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.398 -8.927 -0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.035 -8.338 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.550 -8.519 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.687 -10.900 -0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.384 -10.890 0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.708 -9.487 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.228 -11.159 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.907 -10.945 3.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.521 -11.842 2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.986 -10.223 2.805 1.00 0.00 H new ATOM 1131 N ASP A 77 2.733 -7.045 -2.194 1.00 0.00 N ATOM 1132 CA ASP A 77 1.407 -7.013 -2.821 1.00 0.00 C ATOM 1133 C ASP A 77 1.186 -5.701 -3.585 1.00 0.00 C ATOM 1134 O ASP A 77 0.115 -5.479 -4.162 1.00 0.00 O ATOM 1135 CB ASP A 77 0.319 -7.175 -1.754 1.00 0.00 C ATOM 1136 CG ASP A 77 -0.187 -8.601 -1.651 1.00 0.00 C ATOM 1137 OD1 ASP A 77 0.574 -9.467 -1.170 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -1.343 -8.851 -2.051 1.00 0.00 O1- ATOM 0 H ASP A 77 2.765 -6.606 -1.274 1.00 0.00 H new ATOM 0 HA ASP A 77 1.351 -7.838 -3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.714 -6.862 -0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.515 -6.513 -1.987 1.00 0.00 H new ATOM 1143 N ILE A 78 2.216 -4.849 -3.595 1.00 0.00 N ATOM 1144 CA ILE A 78 2.146 -3.549 -4.258 1.00 0.00 C ATOM 1145 C ILE A 78 2.885 -3.561 -5.602 1.00 0.00 C ATOM 1146 O ILE A 78 3.973 -4.133 -5.726 1.00 0.00 O ATOM 1147 CB ILE A 78 2.704 -2.423 -3.333 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.774 -2.252 -2.119 1.00 0.00 C ATOM 1149 CG2 ILE A 78 2.851 -1.094 -4.084 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.414 -1.584 -0.924 1.00 0.00 C ATOM 0 H ILE A 78 3.112 -5.041 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 78 1.095 -3.341 -4.460 1.00 0.00 H new ATOM 0 HB ILE A 78 3.698 -2.717 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.905 -1.668 -2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.408 -3.233 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.242 -0.335 -3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.538 -1.223 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.877 -0.779 -4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.685 -1.506 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.265 -2.177 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.754 -0.587 -1.203 1.00 0.00 H new ATOM 1162 N SER A 79 2.264 -2.915 -6.593 1.00 0.00 N ATOM 1163 CA SER A 79 2.821 -2.788 -7.937 1.00 0.00 C ATOM 1164 C SER A 79 2.785 -1.309 -8.363 1.00 0.00 C ATOM 1165 O SER A 79 1.709 -0.783 -8.653 1.00 0.00 O ATOM 1166 CB SER A 79 2.033 -3.654 -8.932 1.00 0.00 C ATOM 1167 OG SER A 79 2.897 -4.510 -9.658 1.00 0.00 O ATOM 0 H SER A 79 1.356 -2.464 -6.482 1.00 0.00 H new ATOM 0 HA SER A 79 3.854 -3.137 -7.933 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.294 -4.248 -8.395 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.486 -3.013 -9.623 1.00 0.00 H new ATOM 0 HG SER A 79 2.371 -5.052 -10.283 1.00 0.00 H new ATOM 1173 N PRO A 80 3.953 -0.591 -8.389 1.00 0.00 N ATOM 1174 CA PRO A 80 3.998 0.839 -8.779 1.00 0.00 C ATOM 1175 C PRO A 80 3.333 1.119 -10.132 1.00 0.00 C ATOM 1176 O PRO A 80 3.698 0.531 -11.155 1.00 0.00 O ATOM 1177 CB PRO A 80 5.497 1.148 -8.834 1.00 0.00 C ATOM 1178 CG PRO A 80 6.111 0.174 -7.891 1.00 0.00 C ATOM 1179 CD PRO A 80 5.305 -1.088 -8.030 1.00 0.00 C ATOM 0 HA PRO A 80 3.445 1.462 -8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.891 1.026 -9.843 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.702 2.175 -8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.159 -0.001 -8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.081 0.547 -6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.711 -1.742 -8.802 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.290 -1.660 -7.102 1.00 0.00 H new ATOM 1187 N ALA A 81 2.340 2.021 -10.108 1.00 0.00 N ATOM 1188 CA ALA A 81 1.579 2.403 -11.305 1.00 0.00 C ATOM 1189 C ALA A 81 2.389 3.309 -12.240 1.00 0.00 C ATOM 1190 O ALA A 81 2.286 3.196 -13.464 1.00 0.00 O ATOM 1191 CB ALA A 81 0.286 3.094 -10.897 1.00 0.00 C ATOM 0 H ALA A 81 2.043 2.504 -9.260 1.00 0.00 H new ATOM 0 HA ALA A 81 1.350 1.490 -11.855 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.274 3.375 -11.789 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.314 2.415 -10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.518 3.988 -10.318 1.00 0.00 H new ATOM 1197 N ALA A 82 3.192 4.202 -11.646 1.00 0.00 N ATOM 1198 CA ALA A 82 4.027 5.134 -12.405 1.00 0.00 C ATOM 1199 C ALA A 82 5.444 4.591 -12.576 1.00 0.00 C ATOM 1200 O ALA A 82 6.071 4.161 -11.603 1.00 0.00 O ATOM 1201 CB ALA A 82 4.061 6.490 -11.717 1.00 0.00 C ATOM 0 H ALA A 82 3.279 4.296 -10.634 1.00 0.00 H new ATOM 0 HA ALA A 82 3.589 5.250 -13.396 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.685 7.174 -12.292 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.049 6.890 -11.652 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.473 6.379 -10.714 1.00 0.00 H new ATOM 1207 N LEU A 83 5.933 4.618 -13.820 1.00 0.00 N ATOM 1208 CA LEU A 83 7.275 4.133 -14.141 1.00 0.00 C ATOM 1209 C LEU A 83 8.062 5.184 -14.917 1.00 0.00 C ATOM 1210 CB LEU A 83 7.193 2.839 -14.953 1.00 0.00 C ATOM 1211 CG LEU A 83 7.143 1.553 -14.124 1.00 0.00 C ATOM 1212 CD1 LEU A 83 6.160 0.565 -14.731 1.00 0.00 C ATOM 1213 CD2 LEU A 83 8.528 0.932 -14.018 1.00 0.00 C ATOM 0 H LEU A 83 5.415 4.973 -14.623 1.00 0.00 H new ATOM 0 HA LEU A 83 7.795 3.933 -13.204 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.305 2.880 -15.584 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.055 2.791 -15.618 1.00 0.00 H new ATOM 0 HG LEU A 83 6.801 1.804 -13.120 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.138 -0.343 -14.128 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.165 1.009 -14.754 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.471 0.319 -15.746 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.473 0.019 -13.425 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.898 0.695 -15.016 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.207 1.636 -13.537 1.00 0.00 H new TER 1225 LEU A 83 ATOM 1226 N ALA B 331 -19.023 -6.182 -2.731 1.00 0.00 N ATOM 1227 CA ALA B 331 -18.656 -7.491 -3.335 1.00 0.00 C ATOM 1228 C ALA B 331 -17.302 -7.422 -4.041 1.00 0.00 C ATOM 1229 O ALA B 331 -16.511 -8.367 -3.964 1.00 0.00 O ATOM 1230 CB ALA B 331 -19.736 -7.945 -4.307 1.00 0.00 C ATOM 0 HA ALA B 331 -18.574 -8.219 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA B 331 -19.454 -8.904 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA B 331 -20.682 -8.051 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA B 331 -19.846 -7.205 -5.100 1.00 0.00 H new ATOM 1235 N THR B 332 -17.045 -6.300 -4.726 1.00 0.00 N ATOM 1236 CA THR B 332 -15.788 -6.099 -5.454 1.00 0.00 C ATOM 1237 C THR B 332 -15.001 -4.902 -4.895 1.00 0.00 C ATOM 1238 O THR B 332 -13.807 -5.023 -4.607 1.00 0.00 O ATOM 1239 CB THR B 332 -16.020 -5.943 -6.994 1.00 0.00 C ATOM 1240 OG1 THR B 332 -14.791 -5.608 -7.655 1.00 0.00 O ATOM 1241 CG2 THR B 332 -17.080 -4.888 -7.333 1.00 0.00 C ATOM 0 H THR B 332 -17.694 -5.516 -4.790 1.00 0.00 H new ATOM 0 HA THR B 332 -15.189 -6.997 -5.304 1.00 0.00 H new ATOM 0 HB THR B 332 -16.387 -6.906 -7.348 1.00 0.00 H new ATOM 0 HG1 THR B 332 -14.952 -5.515 -8.617 1.00 0.00 H new ATOM 0 HG21 THR B 332 -17.197 -4.825 -8.415 1.00 0.00 H new ATOM 0 HG22 THR B 332 -18.031 -5.169 -6.881 1.00 0.00 H new ATOM 0 HG23 THR B 332 -16.766 -3.919 -6.945 1.00 0.00 H new ATOM 1249 N GLY B 333 -15.685 -3.761 -4.748 1.00 0.00 N ATOM 1250 CA GLY B 333 -15.052 -2.555 -4.232 1.00 0.00 C ATOM 1251 C GLY B 333 -15.893 -1.318 -4.471 1.00 0.00 C ATOM 1252 O GLY B 333 -17.068 -1.281 -4.089 1.00 0.00 O ATOM 0 H GLY B 333 -16.673 -3.654 -4.980 1.00 0.00 H new ATOM 0 HA2 GLY B 333 -14.874 -2.670 -3.163 1.00 0.00 H new ATOM 0 HA3 GLY B 333 -14.079 -2.427 -4.705 1.00 0.00 H new ATOM 1256 N GLY B 334 -15.291 -0.306 -5.105 1.00 0.00 N ATOM 1257 CA GLY B 334 -15.994 0.928 -5.398 1.00 0.00 C ATOM 1258 C GLY B 334 -15.954 1.269 -6.871 1.00 0.00 C ATOM 1259 O GLY B 334 -16.980 1.207 -7.554 1.00 0.00 O ATOM 0 H GLY B 334 -14.321 -0.326 -5.421 1.00 0.00 H new ATOM 0 HA2 GLY B 334 -17.031 0.839 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY B 334 -15.550 1.742 -4.825 1.00 0.00 H new ATOM 1263 N VAL B 335 -14.759 1.631 -7.358 1.00 0.00 N ATOM 1264 CA VAL B 335 -14.560 1.991 -8.769 1.00 0.00 C ATOM 1265 C VAL B 335 -13.074 1.830 -9.174 1.00 0.00 C ATOM 1266 O VAL B 335 -12.733 0.896 -9.906 1.00 0.00 O ATOM 1267 CB VAL B 335 -15.118 3.437 -9.081 1.00 0.00 C ATOM 1268 CG1 VAL B 335 -14.607 4.485 -8.089 1.00 0.00 C ATOM 1269 CG2 VAL B 335 -14.832 3.867 -10.520 1.00 0.00 C ATOM 0 H VAL B 335 -13.912 1.682 -6.792 1.00 0.00 H new ATOM 0 HA VAL B 335 -15.137 1.299 -9.382 1.00 0.00 H new ATOM 0 HB VAL B 335 -16.200 3.374 -8.962 1.00 0.00 H new ATOM 0 HG11 VAL B 335 -15.019 5.461 -8.346 1.00 0.00 H new ATOM 0 HG12 VAL B 335 -14.919 4.214 -7.080 1.00 0.00 H new ATOM 0 HG13 VAL B 335 -13.519 4.527 -8.133 1.00 0.00 H new ATOM 0 HG21 VAL B 335 -15.234 4.866 -10.688 1.00 0.00 H new ATOM 0 HG22 VAL B 335 -13.755 3.875 -10.690 1.00 0.00 H new ATOM 0 HG23 VAL B 335 -15.303 3.166 -11.210 1.00 0.00 H new HETATM 1279 N M3L B 336 -12.201 2.736 -8.674 1.00 0.00 N HETATM 1280 CA M3L B 336 -10.739 2.750 -8.966 1.00 0.00 C HETATM 1281 CB M3L B 336 -10.009 1.602 -8.239 1.00 0.00 C HETATM 1282 CG M3L B 336 -9.982 1.772 -6.726 1.00 0.00 C HETATM 1283 CD M3L B 336 -11.001 0.877 -6.050 1.00 0.00 C HETATM 1284 CE M3L B 336 -11.386 1.419 -4.663 1.00 0.00 C HETATM 1285 NZ M3L B 336 -11.129 0.479 -3.494 1.00 0.00 N HETATM 1286 C M3L B 336 -10.408 2.728 -10.471 1.00 0.00 C HETATM 1287 O M3L B 336 -11.239 2.359 -11.304 1.00 0.00 O HETATM 1288 CM1 M3L B 336 -9.688 0.109 -3.368 1.00 0.00 C HETATM 1289 CM2 M3L B 336 -11.980 -0.738 -3.630 1.00 0.00 C HETATM 1290 CM3 M3L B 336 -11.490 1.166 -2.239 1.00 0.00 C HETATM 0 HM33 M3L B 336 -10.883 2.065 -2.129 1.00 0.00 H new HETATM 0 HM32 M3L B 336 -12.544 1.441 -2.265 1.00 0.00 H new HETATM 0 HM31 M3L B 336 -11.309 0.500 -1.395 1.00 0.00 H new HETATM 0 HM23 M3L B 336 -13.031 -0.448 -3.636 1.00 0.00 H new HETATM 0 HM22 M3L B 336 -11.739 -1.248 -4.563 1.00 0.00 H new HETATM 0 HM21 M3L B 336 -11.793 -1.408 -2.791 1.00 0.00 H new HETATM 0 HM13 M3L B 336 -9.359 -0.390 -4.280 1.00 0.00 H new HETATM 0 HM12 M3L B 336 -9.093 1.009 -3.213 1.00 0.00 H new HETATM 0 HM11 M3L B 336 -9.558 -0.563 -2.519 1.00 0.00 H new HETATM 0 HG3 M3L B 336 -8.986 1.540 -6.350 1.00 0.00 H new HETATM 0 HG2 M3L B 336 -10.184 2.812 -6.472 1.00 0.00 H new HETATM 0 HE3 M3L B 336 -10.837 2.344 -4.489 1.00 0.00 H new HETATM 0 HE2 M3L B 336 -12.446 1.675 -4.674 1.00 0.00 H new HETATM 0 HD3 M3L B 336 -11.892 0.801 -6.673 1.00 0.00 H new HETATM 0 HD2 M3L B 336 -10.595 -0.130 -5.950 1.00 0.00 H new HETATM 0 HB3 M3L B 336 -10.496 0.658 -8.484 1.00 0.00 H new HETATM 0 HB2 M3L B 336 -8.986 1.538 -8.609 1.00 0.00 H new HETATM 0 HA M3L B 336 -10.376 3.703 -8.582 1.00 0.00 H new ATOM 1310 N LYS B 337 -9.176 3.148 -10.801 1.00 0.00 N ATOM 1311 CA LYS B 337 -8.702 3.187 -12.191 1.00 0.00 C ATOM 1312 C LYS B 337 -7.298 2.532 -12.310 1.00 0.00 C ATOM 1313 O LYS B 337 -6.348 3.176 -12.775 1.00 0.00 O ATOM 1314 CB LYS B 337 -8.667 4.644 -12.699 1.00 0.00 C ATOM 1315 CG LYS B 337 -10.012 5.376 -12.619 1.00 0.00 C ATOM 1316 CD LYS B 337 -10.083 6.338 -11.425 1.00 0.00 C ATOM 1317 CE LYS B 337 -9.559 7.735 -11.766 1.00 0.00 C ATOM 1318 NZ LYS B 337 -8.191 7.951 -11.224 1.00 0.00 N1+ ATOM 0 H LYS B 337 -8.488 3.467 -10.119 1.00 0.00 H new ATOM 0 HA LYS B 337 -9.395 2.618 -12.811 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -7.930 5.200 -12.120 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -8.327 4.647 -13.735 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -10.175 5.933 -13.542 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -10.817 4.645 -12.542 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -11.116 6.414 -11.085 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -9.504 5.928 -10.597 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -9.548 7.867 -12.848 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -10.235 8.487 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -8.167 8.841 -10.687 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -7.937 7.161 -10.597 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -7.511 8.002 -12.009 1.00 0.00 H new ATOM 1332 N PRO B 338 -7.137 1.234 -11.891 1.00 0.00 N ATOM 1333 CA PRO B 338 -5.840 0.526 -11.935 1.00 0.00 C ATOM 1334 C PRO B 338 -5.469 -0.055 -13.306 1.00 0.00 C ATOM 1335 O PRO B 338 -5.918 0.415 -14.353 1.00 0.00 O ATOM 1336 CB PRO B 338 -6.032 -0.627 -10.920 1.00 0.00 C ATOM 1337 CG PRO B 338 -7.361 -0.404 -10.291 1.00 0.00 C ATOM 1338 CD PRO B 338 -8.162 0.353 -11.305 1.00 0.00 C ATOM 0 HA PRO B 338 -5.026 1.216 -11.712 1.00 0.00 H new ATOM 0 HB2 PRO B 338 -5.994 -1.596 -11.418 1.00 0.00 H new ATOM 0 HB3 PRO B 338 -5.240 -0.623 -10.171 1.00 0.00 H new ATOM 0 HG2 PRO B 338 -7.840 -1.350 -10.040 1.00 0.00 H new ATOM 0 HG3 PRO B 338 -7.266 0.161 -9.364 1.00 0.00 H new ATOM 0 HD2 PRO B 338 -8.610 -0.306 -12.049 1.00 0.00 H new ATOM 0 HD3 PRO B 338 -8.975 0.917 -10.848 1.00 0.00 H new ATOM 1346 N HIS B 339 -4.626 -1.098 -13.241 1.00 0.00 N ATOM 1347 CA HIS B 339 -4.107 -1.843 -14.390 1.00 0.00 C ATOM 1348 C HIS B 339 -5.231 -2.570 -15.166 1.00 0.00 C ATOM 1349 O HIS B 339 -6.411 -2.244 -15.005 1.00 0.00 O ATOM 1350 CB HIS B 339 -3.091 -2.848 -13.831 1.00 0.00 C ATOM 1351 CG HIS B 339 -1.722 -2.811 -14.434 1.00 0.00 C ATOM 1352 ND1 HIS B 339 -1.446 -2.358 -15.711 1.00 0.00 N ATOM 1353 CD2 HIS B 339 -0.535 -3.188 -13.904 1.00 0.00 C ATOM 1354 CE1 HIS B 339 -0.147 -2.460 -15.937 1.00 0.00 C ATOM 1355 NE2 HIS B 339 0.427 -2.960 -14.858 1.00 0.00 N ATOM 0 H HIS B 339 -4.277 -1.456 -12.352 1.00 0.00 H new ATOM 0 HA HIS B 339 -3.645 -1.163 -15.105 1.00 0.00 H new ATOM 0 HB2 HIS B 339 -2.997 -2.679 -12.758 1.00 0.00 H new ATOM 0 HB3 HIS B 339 -3.495 -3.852 -13.961 1.00 0.00 H new ATOM 0 HD2 HIS B 339 -0.374 -3.593 -12.916 1.00 0.00 H new ATOM 0 HE1 HIS B 339 0.359 -2.181 -16.850 1.00 0.00 H new ATOM 0 HE2 HIS B 339 1.424 -3.147 -14.750 1.00 0.00 H new ATOM 1364 N ARG B 340 -4.853 -3.552 -16.000 1.00 0.00 N ATOM 1365 CA ARG B 340 -5.815 -4.321 -16.800 1.00 0.00 C ATOM 1366 C ARG B 340 -6.398 -5.516 -16.015 1.00 0.00 C ATOM 1367 O ARG B 340 -7.050 -6.390 -16.600 1.00 0.00 O ATOM 1368 CB ARG B 340 -5.139 -4.811 -18.089 1.00 0.00 C ATOM 1369 CG ARG B 340 -6.027 -4.719 -19.327 1.00 0.00 C ATOM 1370 CD ARG B 340 -5.744 -3.463 -20.145 1.00 0.00 C ATOM 1371 NE ARG B 340 -6.301 -2.255 -19.523 1.00 0.00 N ATOM 1372 CZ ARG B 340 -6.509 -1.093 -20.161 1.00 0.00 C ATOM 1373 NH1 ARG B 340 -6.216 -0.955 -21.453 1.00 0.00 N1+ ATOM 1374 NH2 ARG B 340 -7.016 -0.064 -19.498 1.00 0.00 N ATOM 0 H ARG B 340 -3.882 -3.832 -16.137 1.00 0.00 H new ATOM 0 HA ARG B 340 -6.647 -3.661 -17.048 1.00 0.00 H new ATOM 0 HB2 ARG B 340 -4.235 -4.226 -18.258 1.00 0.00 H new ATOM 0 HB3 ARG B 340 -4.828 -5.847 -17.953 1.00 0.00 H new ATOM 0 HG2 ARG B 340 -5.871 -5.600 -19.950 1.00 0.00 H new ATOM 0 HG3 ARG B 340 -7.074 -4.725 -19.023 1.00 0.00 H new ATOM 0 HD2 ARG B 340 -4.667 -3.344 -20.263 1.00 0.00 H new ATOM 0 HD3 ARG B 340 -6.163 -3.581 -21.144 1.00 0.00 H new ATOM 0 HE ARG B 340 -6.548 -2.303 -18.534 1.00 0.00 H new ATOM 0 HH11 ARG B 340 -5.827 -1.740 -21.974 1.00 0.00 H new ATOM 0 HH12 ARG B 340 -6.381 -0.064 -21.921 1.00 0.00 H new ATOM 0 HH21 ARG B 340 -7.246 -0.158 -18.509 1.00 0.00 H new ATOM 0 HH22 ARG B 340 -7.177 0.822 -19.977 1.00 0.00 H new ATOM 1388 N TYR B 341 -6.177 -5.524 -14.677 1.00 0.00 N ATOM 1389 CA TYR B 341 -6.652 -6.588 -13.751 1.00 0.00 C ATOM 1390 C TYR B 341 -6.453 -8.007 -14.308 1.00 0.00 C ATOM 1391 CB TYR B 341 -8.127 -6.370 -13.327 1.00 0.00 C ATOM 1392 CG TYR B 341 -9.131 -6.262 -14.463 1.00 0.00 C ATOM 1393 CD1 TYR B 341 -9.662 -7.400 -15.059 1.00 0.00 C ATOM 1394 CD2 TYR B 341 -9.544 -5.021 -14.935 1.00 0.00 C ATOM 1395 CE1 TYR B 341 -10.575 -7.304 -16.092 1.00 0.00 C ATOM 1396 CE2 TYR B 341 -10.458 -4.919 -15.967 1.00 0.00 C ATOM 1397 CZ TYR B 341 -10.969 -6.063 -16.542 1.00 0.00 C ATOM 1398 OH TYR B 341 -11.878 -5.964 -17.571 1.00 0.00 O ATOM 0 H TYR B 341 -5.658 -4.785 -14.203 1.00 0.00 H new ATOM 0 HA TYR B 341 -6.024 -6.504 -12.864 1.00 0.00 H new ATOM 0 HB2 TYR B 341 -8.425 -7.195 -12.680 1.00 0.00 H new ATOM 0 HB3 TYR B 341 -8.183 -5.460 -12.729 1.00 0.00 H new ATOM 0 HD1 TYR B 341 -9.356 -8.375 -14.709 1.00 0.00 H new ATOM 0 HD2 TYR B 341 -9.144 -4.123 -14.488 1.00 0.00 H new ATOM 0 HE1 TYR B 341 -10.978 -8.198 -16.545 1.00 0.00 H new ATOM 0 HE2 TYR B 341 -10.770 -3.948 -16.321 1.00 0.00 H new ATOM 0 HH TYR B 341 -12.049 -5.019 -17.766 1.00 0.00 H new TER 1408 TYR B 341