USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1045 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 69 LYS NZ :NH3+ 163:sc= -0.0435 (180deg=-0.445) USER MOD Set 1.2: A 72 SER OG : rot 3:sc= 0.729 USER MOD Set 2.1: A 20 LYS NZ :NH3+ -178:sc= -4.43! (180deg=-4.77!) USER MOD Set 2.2: A 43 THR OG1 : rot -147:sc= -2.07! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.0653 K(o=-0.065,f=-1.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0676 USER MOD Single : A 19 HIS : no HD1:sc= -0.739 K(o=-0.74,f=-1.4) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0436 USER MOD Single : A 52 SER OG : rot 180:sc= -0.417 USER MOD Single : A 59 SER OG : rot 110:sc= -0.223 USER MOD Single : A 60 LYS NZ :NH3+ 137:sc= -0.0294 (180deg=-0.527) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.173 USER MOD Single : A 77 TYR OH : rot -70:sc= 0.937 USER MOD Single : A 80 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 85 TYR OH : rot -3:sc= 0.871 USER MOD Single : A 88 SER OG : rot 180:sc= -0.469 USER MOD Single : A 90 LYS NZ :NH3+ -145:sc= -1.31 (180deg=-4.55!) USER MOD Single : A 92 ASN : amide:sc= 0.468 K(o=0.47,f=-1.8!) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -1.27 F(o=-2.5,f=-1.3) USER MOD Single : A 99 SER OG : rot 114:sc= 0.515 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 110:sc= -2.44! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -64:sc= 0.716 USER MOD Single : A 119 SER OG : rot -37:sc= 1.65 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 163:sc= -0.127 (180deg=-0.706) USER MOD Single : B 3 SER OG : rot -139:sc= 0.533! USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.264) USER MOD Single : B 11 SER OG : rot 180:sc=-0.00583 USER MOD Single : B 12 SER OG : rot -3:sc= 0.262! USER MOD Single : B 16 THR OG1 : rot 18:sc= 0.608 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 117.194 8.432 47.571 1.00 6.50 N ATOM 2 CA GLY A 1 117.418 7.371 46.491 1.00 6.23 C ATOM 3 C GLY A 1 118.486 6.347 46.669 1.00 6.29 C ATOM 4 O GLY A 1 119.447 6.561 47.380 1.00 6.64 O ATOM 0 H1 GLY A 1 116.416 9.060 47.285 1.00 6.50 H new ATOM 0 H2 GLY A 1 116.952 7.967 48.469 1.00 6.50 H new ATOM 0 H3 GLY A 1 118.062 8.991 47.694 1.00 6.50 H new ATOM 0 HA2 GLY A 1 116.476 6.839 46.358 1.00 6.23 H new ATOM 0 HA3 GLY A 1 117.623 7.895 45.558 1.00 6.23 H new ATOM 10 N ILE A 2 118.352 5.217 46.022 1.00 6.02 N ATOM 11 CA ILE A 2 119.370 4.151 46.135 1.00 6.16 C ATOM 12 C ILE A 2 118.985 3.024 45.167 1.00 5.79 C ATOM 13 O ILE A 2 118.906 1.878 45.553 1.00 5.94 O ATOM 14 CB ILE A 2 119.413 3.635 47.590 1.00 6.64 C ATOM 15 CG1 ILE A 2 120.383 2.429 47.715 1.00 7.00 C ATOM 16 CG2 ILE A 2 118.003 3.227 48.040 1.00 7.08 C ATOM 17 CD1 ILE A 2 121.057 2.442 49.093 1.00 7.04 C ATOM 0 H ILE A 2 117.565 4.993 45.413 1.00 6.02 H new ATOM 0 HA ILE A 2 120.360 4.528 45.880 1.00 6.16 H new ATOM 0 HB ILE A 2 119.777 4.436 48.233 1.00 6.64 H new ATOM 0 HG12 ILE A 2 119.837 1.496 47.576 1.00 7.00 H new ATOM 0 HG13 ILE A 2 121.138 2.476 46.931 1.00 7.00 H new ATOM 0 HG21 ILE A 2 118.040 2.864 49.067 1.00 7.08 H new ATOM 0 HG22 ILE A 2 117.339 4.090 47.984 1.00 7.08 H new ATOM 0 HG23 ILE A 2 117.628 2.437 47.389 1.00 7.08 H new ATOM 0 HD11 ILE A 2 121.736 1.593 49.174 1.00 7.04 H new ATOM 0 HD12 ILE A 2 121.618 3.369 49.215 1.00 7.04 H new ATOM 0 HD13 ILE A 2 120.296 2.373 49.871 1.00 7.04 H new ATOM 29 N PRO A 3 118.756 3.374 43.916 1.00 5.36 N ATOM 30 CA PRO A 3 118.385 2.373 42.912 1.00 5.06 C ATOM 31 C PRO A 3 119.466 1.315 42.877 1.00 5.29 C ATOM 32 O PRO A 3 119.306 0.238 43.410 1.00 5.50 O ATOM 33 CB PRO A 3 118.302 3.153 41.575 1.00 4.64 C ATOM 34 CG PRO A 3 118.755 4.613 41.866 1.00 4.75 C ATOM 35 CD PRO A 3 118.871 4.759 43.397 1.00 5.21 C ATOM 0 HA PRO A 3 117.441 1.870 43.119 1.00 5.06 H new ATOM 0 HB2 PRO A 3 118.942 2.694 40.821 1.00 4.64 H new ATOM 0 HB3 PRO A 3 117.285 3.137 41.182 1.00 4.64 H new ATOM 0 HG2 PRO A 3 119.711 4.822 41.386 1.00 4.75 H new ATOM 0 HG3 PRO A 3 118.035 5.326 41.465 1.00 4.75 H new ATOM 0 HD2 PRO A 3 119.821 5.211 43.681 1.00 5.21 H new ATOM 0 HD3 PRO A 3 118.083 5.398 43.795 1.00 5.21 H new ATOM 43 N GLU A 4 120.540 1.587 42.192 1.00 5.31 N ATOM 44 CA GLU A 4 121.611 0.546 42.059 1.00 5.63 C ATOM 45 C GLU A 4 120.962 -0.590 41.279 1.00 5.43 C ATOM 46 O GLU A 4 121.540 -1.618 40.986 1.00 5.60 O ATOM 47 CB GLU A 4 122.097 0.054 43.435 1.00 6.12 C ATOM 48 CG GLU A 4 122.280 1.242 44.388 1.00 6.48 C ATOM 49 CD GLU A 4 123.117 2.329 43.708 1.00 6.49 C ATOM 50 OE1 GLU A 4 124.331 2.209 43.721 1.00 6.75 O ATOM 51 OE2 GLU A 4 122.529 3.262 43.187 1.00 6.52 O ATOM 0 H GLU A 4 120.727 2.472 41.721 1.00 5.31 H new ATOM 0 HA GLU A 4 122.493 0.943 41.556 1.00 5.63 H new ATOM 0 HB2 GLU A 4 121.377 -0.649 43.853 1.00 6.12 H new ATOM 0 HB3 GLU A 4 123.040 -0.482 43.325 1.00 6.12 H new ATOM 0 HG2 GLU A 4 121.308 1.644 44.673 1.00 6.48 H new ATOM 0 HG3 GLU A 4 122.770 0.913 45.304 1.00 6.48 H new ATOM 58 N PHE A 5 119.745 -0.325 40.918 1.00 5.16 N ATOM 59 CA PHE A 5 118.903 -1.215 40.115 1.00 5.00 C ATOM 60 C PHE A 5 118.716 -0.421 38.833 1.00 4.64 C ATOM 61 O PHE A 5 117.800 -0.613 38.060 1.00 4.55 O ATOM 62 CB PHE A 5 117.562 -1.382 40.854 1.00 4.89 C ATOM 63 CG PHE A 5 117.604 -2.623 41.720 1.00 5.24 C ATOM 64 CD1 PHE A 5 117.573 -3.890 41.124 1.00 5.59 C ATOM 65 CD2 PHE A 5 117.675 -2.508 43.115 1.00 5.36 C ATOM 66 CE1 PHE A 5 117.611 -5.040 41.921 1.00 6.01 C ATOM 67 CE2 PHE A 5 117.713 -3.659 43.912 1.00 5.76 C ATOM 68 CZ PHE A 5 117.682 -4.925 43.314 1.00 6.07 C ATOM 0 H PHE A 5 119.276 0.544 41.174 1.00 5.16 H new ATOM 0 HA PHE A 5 119.311 -2.210 39.936 1.00 5.00 H new ATOM 0 HB2 PHE A 5 117.364 -0.505 41.470 1.00 4.89 H new ATOM 0 HB3 PHE A 5 116.747 -1.457 40.134 1.00 4.89 H new ATOM 0 HD1 PHE A 5 117.520 -3.980 40.049 1.00 5.59 H new ATOM 0 HD2 PHE A 5 117.700 -1.531 43.576 1.00 5.36 H new ATOM 0 HE1 PHE A 5 117.586 -6.017 41.461 1.00 6.01 H new ATOM 0 HE2 PHE A 5 117.766 -3.570 44.987 1.00 5.76 H new ATOM 0 HZ PHE A 5 117.713 -5.813 43.928 1.00 6.07 H new ATOM 78 N PHE A 6 119.603 0.528 38.678 1.00 4.56 N ATOM 79 CA PHE A 6 119.586 1.464 37.539 1.00 4.25 C ATOM 80 C PHE A 6 118.180 2.023 37.360 1.00 3.91 C ATOM 81 O PHE A 6 117.458 2.195 38.315 1.00 3.94 O ATOM 82 CB PHE A 6 120.096 0.799 36.251 1.00 4.31 C ATOM 83 CG PHE A 6 119.355 -0.490 35.975 1.00 4.35 C ATOM 84 CD1 PHE A 6 119.818 -1.692 36.525 1.00 4.48 C ATOM 85 CD2 PHE A 6 118.216 -0.486 35.162 1.00 4.57 C ATOM 86 CE1 PHE A 6 119.139 -2.889 36.264 1.00 4.63 C ATOM 87 CE2 PHE A 6 117.537 -1.682 34.902 1.00 4.72 C ATOM 88 CZ PHE A 6 117.998 -2.883 35.453 1.00 4.65 C ATOM 0 H PHE A 6 120.369 0.690 39.332 1.00 4.56 H new ATOM 0 HA PHE A 6 120.267 2.287 37.754 1.00 4.25 H new ATOM 0 HB2 PHE A 6 119.970 1.482 35.411 1.00 4.31 H new ATOM 0 HB3 PHE A 6 121.163 0.597 36.340 1.00 4.31 H new ATOM 0 HD1 PHE A 6 120.699 -1.696 37.150 1.00 4.48 H new ATOM 0 HD2 PHE A 6 117.861 0.440 34.735 1.00 4.57 H new ATOM 0 HE1 PHE A 6 119.496 -3.816 36.688 1.00 4.63 H new ATOM 0 HE2 PHE A 6 116.657 -1.678 34.276 1.00 4.72 H new ATOM 0 HZ PHE A 6 117.473 -3.805 35.252 1.00 4.65 H new ATOM 98 N GLN A 7 117.832 2.368 36.152 1.00 3.67 N ATOM 99 CA GLN A 7 116.508 2.997 35.850 1.00 3.44 C ATOM 100 C GLN A 7 116.681 4.462 36.185 1.00 3.39 C ATOM 101 O GLN A 7 115.863 5.303 35.870 1.00 3.31 O ATOM 102 CB GLN A 7 115.335 2.402 36.660 1.00 3.53 C ATOM 103 CG GLN A 7 115.300 0.875 36.513 1.00 3.71 C ATOM 104 CD GLN A 7 114.390 0.279 37.589 1.00 4.00 C ATOM 105 OE1 GLN A 7 114.335 0.772 38.698 1.00 4.40 O ATOM 106 NE2 GLN A 7 113.668 -0.771 37.306 1.00 4.34 N ATOM 0 H GLN A 7 118.427 2.237 35.334 1.00 3.67 H new ATOM 0 HA GLN A 7 116.244 2.818 34.808 1.00 3.44 H new ATOM 0 HB2 GLN A 7 115.439 2.670 37.712 1.00 3.53 H new ATOM 0 HB3 GLN A 7 114.393 2.828 36.314 1.00 3.53 H new ATOM 0 HG2 GLN A 7 114.936 0.603 35.522 1.00 3.71 H new ATOM 0 HG3 GLN A 7 116.306 0.467 36.606 1.00 3.71 H new ATOM 0 HE21 GLN A 7 113.714 -1.185 36.375 1.00 4.34 H new ATOM 0 HE22 GLN A 7 113.058 -1.177 38.016 1.00 4.34 H new ATOM 115 N PHE A 8 117.791 4.761 36.805 1.00 3.56 N ATOM 116 CA PHE A 8 118.115 6.166 37.163 1.00 3.66 C ATOM 117 C PHE A 8 119.629 6.314 37.161 1.00 3.86 C ATOM 118 O PHE A 8 120.174 7.311 36.732 1.00 3.90 O ATOM 119 CB PHE A 8 117.548 6.504 38.544 1.00 3.88 C ATOM 120 CG PHE A 8 117.492 8.004 38.721 1.00 4.09 C ATOM 121 CD1 PHE A 8 116.411 8.730 38.207 1.00 4.13 C ATOM 122 CD2 PHE A 8 118.520 8.667 39.403 1.00 4.61 C ATOM 123 CE1 PHE A 8 116.358 10.119 38.374 1.00 4.64 C ATOM 124 CE2 PHE A 8 118.467 10.057 39.569 1.00 5.15 C ATOM 125 CZ PHE A 8 117.385 10.782 39.055 1.00 5.15 C ATOM 0 H PHE A 8 118.496 4.078 37.081 1.00 3.56 H new ATOM 0 HA PHE A 8 117.671 6.852 36.442 1.00 3.66 H new ATOM 0 HB2 PHE A 8 116.550 6.078 38.652 1.00 3.88 H new ATOM 0 HB3 PHE A 8 118.170 6.060 39.321 1.00 3.88 H new ATOM 0 HD1 PHE A 8 115.618 8.219 37.682 1.00 4.13 H new ATOM 0 HD2 PHE A 8 119.353 8.107 39.801 1.00 4.61 H new ATOM 0 HE1 PHE A 8 115.524 10.679 37.977 1.00 4.64 H new ATOM 0 HE2 PHE A 8 119.260 10.569 40.093 1.00 5.15 H new ATOM 0 HZ PHE A 8 117.343 11.853 39.184 1.00 5.15 H new ATOM 135 N THR A 9 120.308 5.297 37.595 1.00 4.05 N ATOM 136 CA THR A 9 121.792 5.315 37.583 1.00 4.35 C ATOM 137 C THR A 9 122.201 4.631 36.290 1.00 4.27 C ATOM 138 O THR A 9 123.362 4.402 36.013 1.00 4.54 O ATOM 139 CB THR A 9 122.322 4.524 38.780 1.00 4.71 C ATOM 140 OG1 THR A 9 121.743 5.031 39.974 1.00 4.79 O ATOM 141 CG2 THR A 9 123.846 4.645 38.857 1.00 5.13 C ATOM 0 H THR A 9 119.893 4.441 37.963 1.00 4.05 H new ATOM 0 HA THR A 9 122.189 6.328 37.646 1.00 4.35 H new ATOM 0 HB THR A 9 122.056 3.474 38.661 1.00 4.71 H new ATOM 0 HG1 THR A 9 122.080 4.524 40.742 1.00 4.79 H new ATOM 0 HG21 THR A 9 124.213 4.078 39.713 1.00 5.13 H new ATOM 0 HG22 THR A 9 124.289 4.250 37.943 1.00 5.13 H new ATOM 0 HG23 THR A 9 124.122 5.693 38.970 1.00 5.13 H new ATOM 149 N VAL A 10 121.216 4.299 35.499 1.00 3.98 N ATOM 150 CA VAL A 10 121.467 3.615 34.207 1.00 3.98 C ATOM 151 C VAL A 10 122.615 4.316 33.475 1.00 4.13 C ATOM 152 O VAL A 10 123.525 3.684 32.976 1.00 4.38 O ATOM 153 CB VAL A 10 120.181 3.654 33.369 1.00 3.67 C ATOM 154 CG1 VAL A 10 119.844 5.101 32.997 1.00 3.45 C ATOM 155 CG2 VAL A 10 120.352 2.807 32.096 1.00 3.81 C ATOM 0 H VAL A 10 120.232 4.478 35.702 1.00 3.98 H new ATOM 0 HA VAL A 10 121.750 2.576 34.375 1.00 3.98 H new ATOM 0 HB VAL A 10 119.363 3.240 33.958 1.00 3.67 H new ATOM 0 HG11 VAL A 10 118.931 5.121 32.403 1.00 3.45 H new ATOM 0 HG12 VAL A 10 119.698 5.686 33.905 1.00 3.45 H new ATOM 0 HG13 VAL A 10 120.663 5.528 32.418 1.00 3.45 H new ATOM 0 HG21 VAL A 10 119.434 2.842 31.510 1.00 3.81 H new ATOM 0 HG22 VAL A 10 121.176 3.203 31.503 1.00 3.81 H new ATOM 0 HG23 VAL A 10 120.567 1.775 32.372 1.00 3.81 H new ATOM 165 N GLY A 11 122.577 5.619 33.422 1.00 4.03 N ATOM 166 CA GLY A 11 123.664 6.400 32.738 1.00 4.22 C ATOM 167 C GLY A 11 123.026 7.420 31.782 1.00 3.95 C ATOM 168 O GLY A 11 122.919 8.581 32.123 1.00 4.02 O ATOM 0 H GLY A 11 121.833 6.188 33.826 1.00 4.03 H new ATOM 0 HA2 GLY A 11 124.281 6.912 33.477 1.00 4.22 H new ATOM 0 HA3 GLY A 11 124.320 5.727 32.186 1.00 4.22 H new ATOM 172 N PRO A 12 122.591 6.965 30.622 1.00 3.78 N ATOM 173 CA PRO A 12 121.926 7.842 29.629 1.00 3.70 C ATOM 174 C PRO A 12 120.596 8.344 30.210 1.00 3.49 C ATOM 175 O PRO A 12 119.595 8.420 29.526 1.00 3.54 O ATOM 176 CB PRO A 12 121.691 6.928 28.410 1.00 3.74 C ATOM 177 CG PRO A 12 121.892 5.478 28.910 1.00 3.77 C ATOM 178 CD PRO A 12 122.728 5.560 30.195 1.00 3.85 C ATOM 0 HA PRO A 12 122.511 8.723 29.365 1.00 3.70 H new ATOM 0 HB2 PRO A 12 120.687 7.065 28.009 1.00 3.74 H new ATOM 0 HB3 PRO A 12 122.390 7.163 27.607 1.00 3.74 H new ATOM 0 HG2 PRO A 12 120.932 5.000 29.104 1.00 3.77 H new ATOM 0 HG3 PRO A 12 122.401 4.877 28.156 1.00 3.77 H new ATOM 0 HD2 PRO A 12 122.358 4.874 30.956 1.00 3.85 H new ATOM 0 HD3 PRO A 12 123.770 5.299 30.010 1.00 3.85 H new ATOM 186 N LEU A 13 120.608 8.675 31.477 1.00 3.44 N ATOM 187 CA LEU A 13 119.393 9.181 32.201 1.00 3.29 C ATOM 188 C LEU A 13 118.111 8.630 31.575 1.00 3.00 C ATOM 189 O LEU A 13 117.160 9.348 31.340 1.00 2.85 O ATOM 190 CB LEU A 13 119.362 10.726 32.211 1.00 3.36 C ATOM 191 CG LEU A 13 119.764 11.313 30.834 1.00 3.37 C ATOM 192 CD1 LEU A 13 119.059 12.656 30.614 1.00 3.46 C ATOM 193 CD2 LEU A 13 121.282 11.545 30.771 1.00 3.67 C ATOM 0 H LEU A 13 121.440 8.614 32.063 1.00 3.44 H new ATOM 0 HA LEU A 13 119.451 8.829 33.231 1.00 3.29 H new ATOM 0 HB2 LEU A 13 118.362 11.069 32.475 1.00 3.36 H new ATOM 0 HB3 LEU A 13 120.040 11.099 32.978 1.00 3.36 H new ATOM 0 HG LEU A 13 119.470 10.602 30.062 1.00 3.37 H new ATOM 0 HD11 LEU A 13 119.346 13.063 29.644 1.00 3.46 H new ATOM 0 HD12 LEU A 13 117.979 12.509 30.641 1.00 3.46 H new ATOM 0 HD13 LEU A 13 119.350 13.353 31.400 1.00 3.46 H new ATOM 0 HD21 LEU A 13 121.547 11.957 29.797 1.00 3.67 H new ATOM 0 HD22 LEU A 13 121.576 12.245 31.554 1.00 3.67 H new ATOM 0 HD23 LEU A 13 121.801 10.598 30.917 1.00 3.67 H new ATOM 205 N GLY A 14 118.086 7.357 31.304 1.00 2.97 N ATOM 206 CA GLY A 14 116.874 6.745 30.693 1.00 2.73 C ATOM 207 C GLY A 14 116.717 7.243 29.264 1.00 2.55 C ATOM 208 O GLY A 14 116.295 6.515 28.387 1.00 2.44 O ATOM 0 H GLY A 14 118.855 6.711 31.480 1.00 2.97 H new ATOM 0 HA2 GLY A 14 116.958 5.658 30.703 1.00 2.73 H new ATOM 0 HA3 GLY A 14 115.990 7.002 31.278 1.00 2.73 H new ATOM 212 N GLU A 15 117.036 8.485 29.015 1.00 2.58 N ATOM 213 CA GLU A 15 116.879 9.017 27.636 1.00 2.51 C ATOM 214 C GLU A 15 115.453 8.706 27.174 1.00 2.29 C ATOM 215 O GLU A 15 115.130 8.745 26.004 1.00 2.29 O ATOM 216 CB GLU A 15 117.903 8.336 26.726 1.00 2.63 C ATOM 217 CG GLU A 15 118.089 9.147 25.439 1.00 2.71 C ATOM 218 CD GLU A 15 118.915 10.400 25.738 1.00 2.55 C ATOM 219 OE1 GLU A 15 120.093 10.256 26.019 1.00 2.97 O ATOM 220 OE2 GLU A 15 118.354 11.482 25.681 1.00 2.74 O ATOM 0 H GLU A 15 117.395 9.147 29.702 1.00 2.58 H new ATOM 0 HA GLU A 15 117.046 10.094 27.603 1.00 2.51 H new ATOM 0 HB2 GLU A 15 118.856 8.241 27.246 1.00 2.63 H new ATOM 0 HB3 GLU A 15 117.571 7.327 26.484 1.00 2.63 H new ATOM 0 HG2 GLU A 15 118.589 8.541 24.684 1.00 2.71 H new ATOM 0 HG3 GLU A 15 117.118 9.428 25.030 1.00 2.71 H new ATOM 227 N GLY A 16 114.602 8.391 28.111 1.00 2.21 N ATOM 228 CA GLY A 16 113.192 8.067 27.777 1.00 2.06 C ATOM 229 C GLY A 16 113.097 6.610 27.326 1.00 1.98 C ATOM 230 O GLY A 16 114.007 5.829 27.521 1.00 2.44 O ATOM 0 H GLY A 16 114.829 8.345 29.104 1.00 2.21 H new ATOM 0 HA2 GLY A 16 112.554 8.232 28.645 1.00 2.06 H new ATOM 0 HA3 GLY A 16 112.833 8.727 26.988 1.00 2.06 H new ATOM 234 N GLY A 17 111.995 6.236 26.734 1.00 1.81 N ATOM 235 CA GLY A 17 111.823 4.830 26.277 1.00 1.74 C ATOM 236 C GLY A 17 113.093 4.330 25.586 1.00 1.78 C ATOM 237 O GLY A 17 113.305 3.140 25.457 1.00 1.80 O ATOM 0 H GLY A 17 111.202 6.850 26.547 1.00 1.81 H new ATOM 0 HA2 GLY A 17 111.590 4.191 27.129 1.00 1.74 H new ATOM 0 HA3 GLY A 17 110.979 4.766 25.590 1.00 1.74 H new ATOM 241 N ALA A 18 113.943 5.214 25.136 1.00 1.84 N ATOM 242 CA ALA A 18 115.187 4.750 24.455 1.00 1.96 C ATOM 243 C ALA A 18 115.892 3.715 25.342 1.00 2.07 C ATOM 244 O ALA A 18 116.831 3.067 24.923 1.00 2.21 O ATOM 245 CB ALA A 18 116.113 5.960 24.190 1.00 2.09 C ATOM 0 H ALA A 18 113.833 6.225 25.209 1.00 1.84 H new ATOM 0 HA ALA A 18 114.939 4.287 23.500 1.00 1.96 H new ATOM 0 HB1 ALA A 18 117.022 5.621 23.693 1.00 2.09 H new ATOM 0 HB2 ALA A 18 115.598 6.680 23.554 1.00 2.09 H new ATOM 0 HB3 ALA A 18 116.373 6.434 25.137 1.00 2.09 H new ATOM 251 N HIS A 19 115.447 3.560 26.564 1.00 2.06 N ATOM 252 CA HIS A 19 116.088 2.574 27.488 1.00 2.21 C ATOM 253 C HIS A 19 115.222 1.314 27.600 1.00 2.15 C ATOM 254 O HIS A 19 115.603 0.357 28.245 1.00 2.33 O ATOM 255 CB HIS A 19 116.238 3.209 28.875 1.00 2.33 C ATOM 256 CG HIS A 19 116.772 2.190 29.844 1.00 2.51 C ATOM 257 ND1 HIS A 19 117.827 1.349 29.526 1.00 2.79 N ATOM 258 CD2 HIS A 19 116.405 1.862 31.126 1.00 2.86 C ATOM 259 CE1 HIS A 19 118.056 0.564 30.595 1.00 2.87 C ATOM 260 NE2 HIS A 19 117.217 0.835 31.598 1.00 2.87 N ATOM 0 H HIS A 19 114.663 4.077 26.963 1.00 2.06 H new ATOM 0 HA HIS A 19 117.067 2.299 27.095 1.00 2.21 H new ATOM 0 HB2 HIS A 19 116.912 4.064 28.823 1.00 2.33 H new ATOM 0 HB3 HIS A 19 115.274 3.583 29.220 1.00 2.33 H new ATOM 0 HD2 HIS A 19 115.607 2.330 31.683 1.00 2.86 H new ATOM 0 HE1 HIS A 19 118.825 -0.193 30.637 1.00 2.87 H new ATOM 0 HE2 HIS A 19 117.179 0.386 32.513 1.00 2.87 H new ATOM 268 N LYS A 20 114.059 1.301 26.989 1.00 2.02 N ATOM 269 CA LYS A 20 113.172 0.094 27.078 1.00 2.01 C ATOM 270 C LYS A 20 112.592 -0.241 25.700 1.00 1.90 C ATOM 271 O LYS A 20 111.845 -1.186 25.549 1.00 1.96 O ATOM 272 CB LYS A 20 112.034 0.377 28.072 1.00 1.99 C ATOM 273 CG LYS A 20 111.038 1.427 27.499 1.00 1.81 C ATOM 274 CD LYS A 20 109.747 0.735 27.031 1.00 1.74 C ATOM 275 CE LYS A 20 108.766 1.772 26.478 1.00 1.58 C ATOM 276 NZ LYS A 20 109.157 2.138 25.088 1.00 1.94 N ATOM 0 H LYS A 20 113.686 2.071 26.434 1.00 2.02 H new ATOM 0 HA LYS A 20 113.756 -0.759 27.424 1.00 2.01 H new ATOM 0 HB2 LYS A 20 111.503 -0.549 28.295 1.00 1.99 H new ATOM 0 HB3 LYS A 20 112.450 0.740 29.012 1.00 1.99 H new ATOM 0 HG2 LYS A 20 110.805 2.171 28.261 1.00 1.81 H new ATOM 0 HG3 LYS A 20 111.498 1.958 26.665 1.00 1.81 H new ATOM 0 HD2 LYS A 20 109.979 -0.004 26.264 1.00 1.74 H new ATOM 0 HD3 LYS A 20 109.291 0.198 27.863 1.00 1.74 H new ATOM 0 HE2 LYS A 20 107.753 1.370 26.488 1.00 1.58 H new ATOM 0 HE3 LYS A 20 108.763 2.659 27.111 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 108.510 2.867 24.726 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 110.130 2.506 25.087 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 109.105 1.296 24.480 1.00 1.94 H new ATOM 290 N VAL A 21 112.935 0.514 24.690 1.00 1.80 N ATOM 291 CA VAL A 21 112.400 0.221 23.325 1.00 1.71 C ATOM 292 C VAL A 21 113.326 -0.760 22.607 1.00 1.76 C ATOM 293 O VAL A 21 114.455 -0.446 22.282 1.00 1.81 O ATOM 294 CB VAL A 21 112.301 1.525 22.525 1.00 1.64 C ATOM 295 CG1 VAL A 21 112.000 1.217 21.054 1.00 2.07 C ATOM 296 CG2 VAL A 21 111.173 2.380 23.099 1.00 1.75 C ATOM 0 H VAL A 21 113.560 1.318 24.749 1.00 1.80 H new ATOM 0 HA VAL A 21 111.409 -0.225 23.412 1.00 1.71 H new ATOM 0 HB VAL A 21 113.248 2.060 22.593 1.00 1.64 H new ATOM 0 HG11 VAL A 21 111.931 2.149 20.494 1.00 2.07 H new ATOM 0 HG12 VAL A 21 112.800 0.603 20.640 1.00 2.07 H new ATOM 0 HG13 VAL A 21 111.055 0.679 20.981 1.00 2.07 H new ATOM 0 HG21 VAL A 21 111.097 3.309 22.534 1.00 1.75 H new ATOM 0 HG22 VAL A 21 110.232 1.835 23.029 1.00 1.75 H new ATOM 0 HG23 VAL A 21 111.384 2.607 24.144 1.00 1.75 H new ATOM 306 N ARG A 22 112.843 -1.949 22.354 1.00 1.78 N ATOM 307 CA ARG A 22 113.663 -2.981 21.649 1.00 1.85 C ATOM 308 C ARG A 22 113.113 -3.186 20.238 1.00 1.74 C ATOM 309 O ARG A 22 111.920 -3.290 20.033 1.00 1.66 O ATOM 310 CB ARG A 22 113.577 -4.296 22.428 1.00 1.96 C ATOM 311 CG ARG A 22 114.274 -5.432 21.654 1.00 2.03 C ATOM 312 CD ARG A 22 115.726 -5.048 21.349 1.00 2.18 C ATOM 313 NE ARG A 22 116.521 -6.285 21.104 1.00 2.75 N ATOM 314 CZ ARG A 22 117.698 -6.205 20.545 1.00 3.10 C ATOM 315 NH1 ARG A 22 118.176 -5.044 20.193 1.00 3.50 N ATOM 316 NH2 ARG A 22 118.395 -7.288 20.335 1.00 3.33 N ATOM 0 H ARG A 22 111.903 -2.253 22.609 1.00 1.78 H new ATOM 0 HA ARG A 22 114.701 -2.655 21.587 1.00 1.85 H new ATOM 0 HB2 ARG A 22 114.042 -4.176 23.406 1.00 1.96 H new ATOM 0 HB3 ARG A 22 112.532 -4.554 22.601 1.00 1.96 H new ATOM 0 HG2 ARG A 22 114.248 -6.351 22.240 1.00 2.03 H new ATOM 0 HG3 ARG A 22 113.739 -5.631 20.725 1.00 2.03 H new ATOM 0 HD2 ARG A 22 115.766 -4.397 20.476 1.00 2.18 H new ATOM 0 HD3 ARG A 22 116.149 -4.489 22.183 1.00 2.18 H new ATOM 0 HE ARG A 22 116.145 -7.194 21.373 1.00 2.75 H new ATOM 0 HH11 ARG A 22 117.630 -4.198 20.354 1.00 3.50 H new ATOM 0 HH12 ARG A 22 119.096 -4.982 19.756 1.00 3.50 H new ATOM 0 HH21 ARG A 22 118.020 -8.197 20.608 1.00 3.33 H new ATOM 0 HH22 ARG A 22 119.315 -7.226 19.898 1.00 3.33 H new ATOM 330 N ALA A 23 113.978 -3.257 19.264 1.00 1.77 N ATOM 331 CA ALA A 23 113.524 -3.468 17.858 1.00 1.68 C ATOM 332 C ALA A 23 114.534 -4.369 17.151 1.00 1.77 C ATOM 333 O ALA A 23 115.674 -4.000 16.948 1.00 1.83 O ATOM 334 CB ALA A 23 113.446 -2.120 17.138 1.00 1.59 C ATOM 0 H ALA A 23 114.988 -3.177 19.382 1.00 1.77 H new ATOM 0 HA ALA A 23 112.539 -3.934 17.849 1.00 1.68 H new ATOM 0 HB1 ALA A 23 113.114 -2.275 16.111 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.738 -1.472 17.654 1.00 1.59 H new ATOM 0 HB3 ALA A 23 114.430 -1.652 17.135 1.00 1.59 H new ATOM 340 N GLY A 24 114.132 -5.555 16.785 1.00 1.80 N ATOM 341 CA GLY A 24 115.075 -6.487 16.103 1.00 1.90 C ATOM 342 C GLY A 24 114.292 -7.445 15.204 1.00 1.86 C ATOM 343 O GLY A 24 113.321 -8.046 15.619 1.00 1.86 O ATOM 0 H GLY A 24 113.190 -5.920 16.929 1.00 1.80 H new ATOM 0 HA2 GLY A 24 115.794 -5.922 15.510 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.644 -7.050 16.843 1.00 1.90 H new ATOM 347 N GLY A 25 114.706 -7.595 13.974 1.00 1.85 N ATOM 348 CA GLY A 25 113.982 -8.517 13.054 1.00 1.84 C ATOM 349 C GLY A 25 114.694 -8.563 11.700 1.00 1.84 C ATOM 350 O GLY A 25 115.559 -7.759 11.412 1.00 1.84 O ATOM 0 H GLY A 25 115.512 -7.120 13.568 1.00 1.85 H new ATOM 0 HA2 GLY A 25 113.938 -9.517 13.486 1.00 1.84 H new ATOM 0 HA3 GLY A 25 112.953 -8.181 12.923 1.00 1.84 H new ATOM 354 N THR A 26 114.338 -9.504 10.868 1.00 1.86 N ATOM 355 CA THR A 26 114.993 -9.614 9.534 1.00 1.87 C ATOM 356 C THR A 26 114.377 -8.607 8.570 1.00 1.75 C ATOM 357 O THR A 26 115.019 -8.146 7.645 1.00 1.76 O ATOM 358 CB THR A 26 114.802 -11.026 8.986 1.00 1.96 C ATOM 359 OG1 THR A 26 115.059 -11.029 7.588 1.00 2.31 O ATOM 360 CG2 THR A 26 113.369 -11.495 9.245 1.00 2.29 C ATOM 0 H THR A 26 113.619 -10.203 11.056 1.00 1.86 H new ATOM 0 HA THR A 26 116.057 -9.405 9.640 1.00 1.87 H new ATOM 0 HB THR A 26 115.495 -11.703 9.486 1.00 1.96 H new ATOM 0 HG1 THR A 26 114.938 -11.935 7.235 1.00 2.31 H new ATOM 0 HG21 THR A 26 113.239 -12.503 8.852 1.00 2.29 H new ATOM 0 HG22 THR A 26 113.175 -11.496 10.318 1.00 2.29 H new ATOM 0 HG23 THR A 26 112.670 -10.820 8.751 1.00 2.29 H new ATOM 368 N GLY A 27 113.144 -8.247 8.781 1.00 1.64 N ATOM 369 CA GLY A 27 112.508 -7.256 7.880 1.00 1.54 C ATOM 370 C GLY A 27 113.255 -5.936 8.032 1.00 1.50 C ATOM 371 O GLY A 27 112.957 -4.955 7.380 1.00 1.46 O ATOM 0 H GLY A 27 112.553 -8.596 9.536 1.00 1.64 H new ATOM 0 HA2 GLY A 27 112.548 -7.600 6.846 1.00 1.54 H new ATOM 0 HA3 GLY A 27 111.455 -7.130 8.134 1.00 1.54 H new ATOM 375 N LEU A 28 114.237 -5.920 8.897 1.00 1.57 N ATOM 376 CA LEU A 28 115.043 -4.684 9.126 1.00 1.59 C ATOM 377 C LEU A 28 116.430 -4.889 8.528 1.00 1.69 C ATOM 378 O LEU A 28 117.218 -3.971 8.418 1.00 1.83 O ATOM 379 CB LEU A 28 115.177 -4.450 10.631 1.00 1.65 C ATOM 380 CG LEU A 28 113.853 -3.925 11.202 1.00 1.58 C ATOM 381 CD1 LEU A 28 113.910 -3.980 12.732 1.00 1.66 C ATOM 382 CD2 LEU A 28 113.597 -2.473 10.740 1.00 1.61 C ATOM 0 H LEU A 28 114.518 -6.722 9.461 1.00 1.57 H new ATOM 0 HA LEU A 28 114.558 -3.826 8.661 1.00 1.59 H new ATOM 0 HB2 LEU A 28 115.454 -5.380 11.128 1.00 1.65 H new ATOM 0 HB3 LEU A 28 115.976 -3.734 10.826 1.00 1.65 H new ATOM 0 HG LEU A 28 113.037 -4.549 10.838 1.00 1.58 H new ATOM 0 HD11 LEU A 28 112.972 -3.608 13.145 1.00 1.66 H new ATOM 0 HD12 LEU A 28 114.065 -5.010 13.054 1.00 1.66 H new ATOM 0 HD13 LEU A 28 114.734 -3.361 13.088 1.00 1.66 H new ATOM 0 HD21 LEU A 28 112.653 -2.120 11.156 1.00 1.61 H new ATOM 0 HD22 LEU A 28 114.408 -1.833 11.086 1.00 1.61 H new ATOM 0 HD23 LEU A 28 113.548 -2.441 9.652 1.00 1.61 H new ATOM 394 N GLU A 29 116.733 -6.097 8.147 1.00 1.73 N ATOM 395 CA GLU A 29 118.068 -6.390 7.561 1.00 1.84 C ATOM 396 C GLU A 29 118.042 -6.103 6.058 1.00 1.75 C ATOM 397 O GLU A 29 118.852 -5.355 5.549 1.00 1.78 O ATOM 398 CB GLU A 29 118.400 -7.860 7.811 1.00 2.00 C ATOM 399 CG GLU A 29 118.456 -8.114 9.326 1.00 2.06 C ATOM 400 CD GLU A 29 119.808 -7.655 9.879 1.00 1.98 C ATOM 401 OE1 GLU A 29 120.800 -8.298 9.576 1.00 2.21 O ATOM 402 OE2 GLU A 29 119.828 -6.668 10.597 1.00 2.34 O ATOM 0 H GLU A 29 116.108 -6.900 8.217 1.00 1.73 H new ATOM 0 HA GLU A 29 118.828 -5.760 8.024 1.00 1.84 H new ATOM 0 HB2 GLU A 29 117.646 -8.499 7.350 1.00 2.00 H new ATOM 0 HB3 GLU A 29 119.356 -8.113 7.352 1.00 2.00 H new ATOM 0 HG2 GLU A 29 117.648 -7.578 9.824 1.00 2.06 H new ATOM 0 HG3 GLU A 29 118.309 -9.174 9.532 1.00 2.06 H new ATOM 409 N ARG A 30 117.116 -6.686 5.341 1.00 1.69 N ATOM 410 CA ARG A 30 117.045 -6.438 3.867 1.00 1.64 C ATOM 411 C ARG A 30 115.627 -6.721 3.362 1.00 1.59 C ATOM 412 O ARG A 30 114.851 -7.395 4.009 1.00 1.61 O ATOM 413 CB ARG A 30 118.025 -7.366 3.140 1.00 1.75 C ATOM 414 CG ARG A 30 119.474 -6.959 3.451 1.00 2.21 C ATOM 415 CD ARG A 30 120.448 -7.639 2.460 1.00 2.47 C ATOM 416 NE ARG A 30 121.621 -8.210 3.200 1.00 2.96 N ATOM 417 CZ ARG A 30 122.259 -7.515 4.106 1.00 3.36 C ATOM 418 NH1 ARG A 30 121.950 -6.266 4.322 1.00 3.77 N ATOM 419 NH2 ARG A 30 123.232 -8.067 4.779 1.00 3.76 N ATOM 0 H ARG A 30 116.408 -7.321 5.709 1.00 1.69 H new ATOM 0 HA ARG A 30 117.305 -5.398 3.670 1.00 1.64 H new ATOM 0 HB2 ARG A 30 117.856 -8.398 3.448 1.00 1.75 H new ATOM 0 HB3 ARG A 30 117.850 -7.321 2.065 1.00 1.75 H new ATOM 0 HG2 ARG A 30 119.576 -5.876 3.386 1.00 2.21 H new ATOM 0 HG3 ARG A 30 119.727 -7.243 4.473 1.00 2.21 H new ATOM 0 HD2 ARG A 30 119.932 -8.430 1.915 1.00 2.47 H new ATOM 0 HD3 ARG A 30 120.792 -6.915 1.721 1.00 2.47 H new ATOM 0 HE ARG A 30 121.928 -9.160 2.992 1.00 2.96 H new ATOM 0 HH11 ARG A 30 121.206 -5.824 3.782 1.00 3.77 H new ATOM 0 HH12 ARG A 30 122.453 -5.731 5.030 1.00 3.77 H new ATOM 0 HH21 ARG A 30 123.492 -9.036 4.597 1.00 3.76 H new ATOM 0 HH22 ARG A 30 123.732 -7.529 5.486 1.00 3.76 H new ATOM 433 N GLY A 31 115.287 -6.221 2.197 1.00 1.54 N ATOM 434 CA GLY A 31 113.928 -6.468 1.629 1.00 1.52 C ATOM 435 C GLY A 31 114.076 -6.696 0.127 1.00 1.55 C ATOM 436 O GLY A 31 115.148 -6.535 -0.420 1.00 1.57 O ATOM 0 H GLY A 31 115.898 -5.649 1.614 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.470 -7.336 2.102 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.274 -5.617 1.822 1.00 1.52 H new ATOM 440 N VAL A 32 113.022 -7.086 -0.547 1.00 1.56 N ATOM 441 CA VAL A 32 113.123 -7.337 -2.022 1.00 1.60 C ATOM 442 C VAL A 32 111.938 -6.693 -2.757 1.00 1.53 C ATOM 443 O VAL A 32 110.861 -6.532 -2.219 1.00 1.50 O ATOM 444 CB VAL A 32 113.148 -8.853 -2.253 1.00 1.75 C ATOM 445 CG1 VAL A 32 112.887 -9.180 -3.729 1.00 1.80 C ATOM 446 CG2 VAL A 32 114.518 -9.409 -1.849 1.00 1.83 C ATOM 0 H VAL A 32 112.098 -7.241 -0.143 1.00 1.56 H new ATOM 0 HA VAL A 32 114.036 -6.891 -2.416 1.00 1.60 H new ATOM 0 HB VAL A 32 112.365 -9.309 -1.647 1.00 1.75 H new ATOM 0 HG11 VAL A 32 112.909 -10.260 -3.872 1.00 1.80 H new ATOM 0 HG12 VAL A 32 111.909 -8.795 -4.020 1.00 1.80 H new ATOM 0 HG13 VAL A 32 113.657 -8.717 -4.346 1.00 1.80 H new ATOM 0 HG21 VAL A 32 114.536 -10.486 -2.013 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.294 -8.937 -2.451 1.00 1.83 H new ATOM 0 HG23 VAL A 32 114.699 -9.199 -0.795 1.00 1.83 H new ATOM 456 N ALA A 33 112.157 -6.312 -3.988 1.00 1.51 N ATOM 457 CA ALA A 33 111.088 -5.656 -4.801 1.00 1.46 C ATOM 458 C ALA A 33 109.701 -6.270 -4.568 1.00 1.53 C ATOM 459 O ALA A 33 109.427 -7.394 -4.938 1.00 1.64 O ATOM 460 CB ALA A 33 111.448 -5.781 -6.287 1.00 1.51 C ATOM 0 H ALA A 33 113.046 -6.429 -4.473 1.00 1.51 H new ATOM 0 HA ALA A 33 111.036 -4.612 -4.492 1.00 1.46 H new ATOM 0 HB1 ALA A 33 110.674 -5.306 -6.890 1.00 1.51 H new ATOM 0 HB2 ALA A 33 112.404 -5.292 -6.472 1.00 1.51 H new ATOM 0 HB3 ALA A 33 111.521 -6.835 -6.556 1.00 1.51 H new ATOM 466 N GLY A 34 108.817 -5.499 -3.998 1.00 1.46 N ATOM 467 CA GLY A 34 107.420 -5.960 -3.771 1.00 1.52 C ATOM 468 C GLY A 34 107.391 -7.279 -3.008 1.00 1.62 C ATOM 469 O GLY A 34 106.712 -8.208 -3.398 1.00 1.73 O ATOM 0 H GLY A 34 109.009 -4.551 -3.674 1.00 1.46 H new ATOM 0 HA2 GLY A 34 106.870 -5.202 -3.213 1.00 1.52 H new ATOM 0 HA3 GLY A 34 106.914 -6.080 -4.729 1.00 1.52 H new ATOM 473 N VAL A 35 108.105 -7.365 -1.916 1.00 1.59 N ATOM 474 CA VAL A 35 108.109 -8.622 -1.103 1.00 1.69 C ATOM 475 C VAL A 35 107.762 -8.258 0.361 1.00 1.61 C ATOM 476 O VAL A 35 108.626 -7.796 1.079 1.00 1.55 O ATOM 477 CB VAL A 35 109.505 -9.263 -1.178 1.00 1.77 C ATOM 478 CG1 VAL A 35 109.665 -10.311 -0.070 1.00 2.04 C ATOM 479 CG2 VAL A 35 109.667 -9.946 -2.543 1.00 2.19 C ATOM 0 H VAL A 35 108.690 -6.615 -1.549 1.00 1.59 H new ATOM 0 HA VAL A 35 107.375 -9.332 -1.485 1.00 1.69 H new ATOM 0 HB VAL A 35 110.263 -8.490 -1.050 1.00 1.77 H new ATOM 0 HG11 VAL A 35 110.657 -10.758 -0.133 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.543 -9.834 0.902 1.00 2.04 H new ATOM 0 HG13 VAL A 35 108.909 -11.087 -0.191 1.00 2.04 H new ATOM 0 HG21 VAL A 35 110.654 -10.404 -2.606 1.00 2.19 H new ATOM 0 HG22 VAL A 35 108.903 -10.715 -2.658 1.00 2.19 H new ATOM 0 HG23 VAL A 35 109.559 -9.205 -3.335 1.00 2.19 H new ATOM 489 N PRO A 36 106.514 -8.446 0.776 1.00 1.67 N ATOM 490 CA PRO A 36 106.111 -8.097 2.153 1.00 1.61 C ATOM 491 C PRO A 36 106.985 -8.835 3.174 1.00 1.61 C ATOM 492 O PRO A 36 107.366 -9.972 2.981 1.00 1.74 O ATOM 493 CB PRO A 36 104.624 -8.513 2.257 1.00 1.76 C ATOM 494 CG PRO A 36 104.161 -8.925 0.832 1.00 1.96 C ATOM 495 CD PRO A 36 105.422 -9.006 -0.056 1.00 1.85 C ATOM 0 HA PRO A 36 106.238 -7.036 2.368 1.00 1.61 H new ATOM 0 HB2 PRO A 36 104.504 -9.342 2.955 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.019 -7.688 2.635 1.00 1.76 H new ATOM 0 HG2 PRO A 36 103.647 -9.886 0.858 1.00 1.96 H new ATOM 0 HG3 PRO A 36 103.455 -8.197 0.432 1.00 1.96 H new ATOM 0 HD2 PRO A 36 105.635 -10.035 -0.346 1.00 1.85 H new ATOM 0 HD3 PRO A 36 105.294 -8.435 -0.976 1.00 1.85 H new ATOM 503 N ALA A 37 107.298 -8.185 4.263 1.00 1.53 N ATOM 504 CA ALA A 37 108.142 -8.825 5.313 1.00 1.62 C ATOM 505 C ALA A 37 107.755 -8.241 6.671 1.00 1.53 C ATOM 506 O ALA A 37 106.764 -7.549 6.791 1.00 1.52 O ATOM 507 CB ALA A 37 109.619 -8.537 5.031 1.00 1.69 C ATOM 0 H ALA A 37 107.003 -7.231 4.471 1.00 1.53 H new ATOM 0 HA ALA A 37 107.985 -9.904 5.312 1.00 1.62 H new ATOM 0 HB1 ALA A 37 110.234 -9.005 5.799 1.00 1.69 H new ATOM 0 HB2 ALA A 37 109.888 -8.940 4.055 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.787 -7.460 5.038 1.00 1.69 H new ATOM 513 N GLU A 38 108.518 -8.504 7.696 1.00 1.50 N ATOM 514 CA GLU A 38 108.158 -7.943 9.027 1.00 1.45 C ATOM 515 C GLU A 38 109.292 -8.138 10.028 1.00 1.50 C ATOM 516 O GLU A 38 110.170 -8.962 9.856 1.00 1.60 O ATOM 517 CB GLU A 38 106.890 -8.638 9.550 1.00 1.54 C ATOM 518 CG GLU A 38 107.221 -10.057 10.033 1.00 1.68 C ATOM 519 CD GLU A 38 105.934 -10.878 10.143 1.00 1.83 C ATOM 520 OE1 GLU A 38 105.194 -10.916 9.174 1.00 2.12 O ATOM 521 OE2 GLU A 38 105.710 -11.453 11.195 1.00 2.23 O ATOM 0 H GLU A 38 109.363 -9.075 7.671 1.00 1.50 H new ATOM 0 HA GLU A 38 107.978 -6.874 8.913 1.00 1.45 H new ATOM 0 HB2 GLU A 38 106.461 -8.059 10.368 1.00 1.54 H new ATOM 0 HB3 GLU A 38 106.139 -8.681 8.761 1.00 1.54 H new ATOM 0 HG2 GLU A 38 107.911 -10.536 9.339 1.00 1.68 H new ATOM 0 HG3 GLU A 38 107.721 -10.015 11.001 1.00 1.68 H new ATOM 528 N PHE A 39 109.246 -7.387 11.098 1.00 1.46 N ATOM 529 CA PHE A 39 110.271 -7.506 12.166 1.00 1.54 C ATOM 530 C PHE A 39 109.521 -7.515 13.491 1.00 1.53 C ATOM 531 O PHE A 39 108.303 -7.519 13.516 1.00 1.50 O ATOM 532 CB PHE A 39 111.279 -6.337 12.117 1.00 1.54 C ATOM 533 CG PHE A 39 110.627 -5.059 11.627 1.00 1.31 C ATOM 534 CD1 PHE A 39 110.182 -4.967 10.307 1.00 1.36 C ATOM 535 CD2 PHE A 39 110.502 -3.955 12.481 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.604 -3.783 9.838 1.00 1.32 C ATOM 537 CE2 PHE A 39 109.928 -2.767 12.010 1.00 1.37 C ATOM 538 CZ PHE A 39 109.476 -2.683 10.690 1.00 1.30 C ATOM 0 H PHE A 39 108.527 -6.686 11.275 1.00 1.46 H new ATOM 0 HA PHE A 39 110.853 -8.418 12.035 1.00 1.54 H new ATOM 0 HB2 PHE A 39 111.698 -6.175 13.110 1.00 1.54 H new ATOM 0 HB3 PHE A 39 112.109 -6.598 11.460 1.00 1.54 H new ATOM 0 HD1 PHE A 39 110.285 -5.814 9.645 1.00 1.36 H new ATOM 0 HD2 PHE A 39 110.848 -4.020 13.502 1.00 1.34 H new ATOM 0 HE1 PHE A 39 109.257 -3.719 8.817 1.00 1.32 H new ATOM 0 HE2 PHE A 39 109.835 -1.915 12.667 1.00 1.37 H new ATOM 0 HZ PHE A 39 109.028 -1.769 10.329 1.00 1.30 H new ATOM 548 N SER A 40 110.224 -7.540 14.586 1.00 1.60 N ATOM 549 CA SER A 40 109.543 -7.581 15.923 1.00 1.61 C ATOM 550 C SER A 40 109.947 -6.382 16.783 1.00 1.59 C ATOM 551 O SER A 40 111.066 -5.910 16.736 1.00 1.64 O ATOM 552 CB SER A 40 109.945 -8.867 16.645 1.00 1.73 C ATOM 553 OG SER A 40 109.148 -9.019 17.813 1.00 2.37 O ATOM 0 H SER A 40 111.243 -7.534 14.621 1.00 1.60 H new ATOM 0 HA SER A 40 108.465 -7.548 15.765 1.00 1.61 H new ATOM 0 HB2 SER A 40 109.812 -9.725 15.986 1.00 1.73 H new ATOM 0 HB3 SER A 40 111.001 -8.832 16.913 1.00 1.73 H new ATOM 0 HG SER A 40 109.402 -9.844 18.277 1.00 2.37 H new ATOM 559 N ILE A 41 109.030 -5.901 17.583 1.00 1.54 N ATOM 560 CA ILE A 41 109.317 -4.742 18.482 1.00 1.54 C ATOM 561 C ILE A 41 108.580 -4.959 19.807 1.00 1.60 C ATOM 562 O ILE A 41 107.369 -5.023 19.836 1.00 1.65 O ATOM 563 CB ILE A 41 108.806 -3.446 17.831 1.00 1.45 C ATOM 564 CG1 ILE A 41 109.724 -3.061 16.666 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.798 -2.310 18.868 1.00 1.50 C ATOM 566 CD1 ILE A 41 109.110 -1.893 15.892 1.00 1.34 C ATOM 0 H ILE A 41 108.081 -6.268 17.652 1.00 1.54 H new ATOM 0 HA ILE A 41 110.391 -4.663 18.653 1.00 1.54 H new ATOM 0 HB ILE A 41 107.793 -3.607 17.462 1.00 1.45 H new ATOM 0 HG12 ILE A 41 110.709 -2.783 17.042 1.00 1.47 H new ATOM 0 HG13 ILE A 41 109.865 -3.915 16.004 1.00 1.47 H new ATOM 0 HG21 ILE A 41 108.435 -1.394 18.402 1.00 1.50 H new ATOM 0 HG22 ILE A 41 108.144 -2.579 19.697 1.00 1.50 H new ATOM 0 HG23 ILE A 41 109.810 -2.151 19.241 1.00 1.50 H new ATOM 0 HD11 ILE A 41 109.765 -1.621 15.064 1.00 1.34 H new ATOM 0 HD12 ILE A 41 108.135 -2.187 15.503 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.992 -1.038 16.557 1.00 1.34 H new ATOM 578 N TRP A 42 109.294 -5.054 20.907 1.00 1.65 N ATOM 579 CA TRP A 42 108.622 -5.247 22.236 1.00 1.71 C ATOM 580 C TRP A 42 108.950 -4.045 23.127 1.00 1.77 C ATOM 581 O TRP A 42 110.096 -3.678 23.294 1.00 1.78 O ATOM 582 CB TRP A 42 109.095 -6.567 22.880 1.00 1.88 C ATOM 583 CG TRP A 42 110.423 -6.402 23.553 1.00 2.08 C ATOM 584 CD1 TRP A 42 111.594 -6.899 23.093 1.00 2.66 C ATOM 585 CD2 TRP A 42 110.731 -5.718 24.803 1.00 2.36 C ATOM 586 NE1 TRP A 42 112.603 -6.554 23.975 1.00 2.89 N ATOM 587 CE2 TRP A 42 112.121 -5.826 25.045 1.00 2.64 C ATOM 588 CE3 TRP A 42 109.948 -5.016 25.738 1.00 3.00 C ATOM 589 CZ2 TRP A 42 112.712 -5.260 26.175 1.00 3.08 C ATOM 590 CZ3 TRP A 42 110.540 -4.446 26.876 1.00 3.68 C ATOM 591 CH2 TRP A 42 111.920 -4.567 27.094 1.00 3.56 C ATOM 0 H TRP A 42 110.312 -5.006 20.942 1.00 1.65 H new ATOM 0 HA TRP A 42 107.541 -5.311 22.109 1.00 1.71 H new ATOM 0 HB2 TRP A 42 108.356 -6.904 23.607 1.00 1.88 H new ATOM 0 HB3 TRP A 42 109.166 -7.341 22.116 1.00 1.88 H new ATOM 0 HD1 TRP A 42 111.721 -7.471 22.186 1.00 2.66 H new ATOM 0 HE1 TRP A 42 113.583 -6.807 23.850 1.00 2.89 H new ATOM 0 HE3 TRP A 42 108.885 -4.915 25.579 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 113.775 -5.357 26.338 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 109.929 -3.911 27.588 1.00 3.68 H new ATOM 0 HH2 TRP A 42 112.370 -4.125 27.971 1.00 3.56 H new ATOM 602 N THR A 43 107.949 -3.413 23.680 1.00 1.91 N ATOM 603 CA THR A 43 108.200 -2.218 24.538 1.00 2.07 C ATOM 604 C THR A 43 107.101 -2.095 25.595 1.00 1.92 C ATOM 605 O THR A 43 105.925 -2.108 25.288 1.00 2.17 O ATOM 606 CB THR A 43 108.200 -0.966 23.659 1.00 2.42 C ATOM 607 OG1 THR A 43 107.896 0.170 24.454 1.00 2.72 O ATOM 608 CG2 THR A 43 107.149 -1.115 22.557 1.00 2.89 C ATOM 0 H THR A 43 106.968 -3.673 23.575 1.00 1.91 H new ATOM 0 HA THR A 43 109.164 -2.325 25.036 1.00 2.07 H new ATOM 0 HB THR A 43 109.184 -0.840 23.207 1.00 2.42 H new ATOM 0 HG1 THR A 43 107.396 0.820 23.918 1.00 2.72 H new ATOM 0 HG21 THR A 43 107.149 -0.223 21.931 1.00 2.89 H new ATOM 0 HG22 THR A 43 107.383 -1.987 21.946 1.00 2.89 H new ATOM 0 HG23 THR A 43 106.165 -1.242 23.008 1.00 2.89 H new ATOM 616 N ARG A 44 107.479 -1.966 26.838 1.00 1.96 N ATOM 617 CA ARG A 44 106.467 -1.833 27.925 1.00 1.92 C ATOM 618 C ARG A 44 107.183 -1.511 29.239 1.00 1.92 C ATOM 619 O ARG A 44 107.396 -2.375 30.066 1.00 2.18 O ATOM 620 CB ARG A 44 105.695 -3.147 28.074 1.00 2.09 C ATOM 621 CG ARG A 44 104.446 -2.911 28.927 1.00 2.62 C ATOM 622 CD ARG A 44 103.829 -4.256 29.315 1.00 3.00 C ATOM 623 NE ARG A 44 103.700 -5.113 28.103 1.00 3.63 N ATOM 624 CZ ARG A 44 103.479 -6.392 28.230 1.00 4.14 C ATOM 625 NH1 ARG A 44 103.368 -6.921 29.418 1.00 4.51 N ATOM 626 NH2 ARG A 44 103.367 -7.143 27.169 1.00 4.63 N ATOM 0 H ARG A 44 108.450 -1.947 27.149 1.00 1.96 H new ATOM 0 HA ARG A 44 105.769 -1.033 27.679 1.00 1.92 H new ATOM 0 HB2 ARG A 44 105.412 -3.528 27.093 1.00 2.09 H new ATOM 0 HB3 ARG A 44 106.328 -3.903 28.539 1.00 2.09 H new ATOM 0 HG2 ARG A 44 104.706 -2.347 29.823 1.00 2.62 H new ATOM 0 HG3 ARG A 44 103.722 -2.314 28.373 1.00 2.62 H new ATOM 0 HD2 ARG A 44 104.452 -4.752 30.059 1.00 3.00 H new ATOM 0 HD3 ARG A 44 102.850 -4.101 29.770 1.00 3.00 H new ATOM 0 HE ARG A 44 103.784 -4.700 27.174 1.00 3.63 H new ATOM 0 HH11 ARG A 44 103.454 -6.334 30.248 1.00 4.51 H new ATOM 0 HH12 ARG A 44 103.195 -7.921 29.517 1.00 4.51 H new ATOM 0 HH21 ARG A 44 103.452 -6.730 26.240 1.00 4.63 H new ATOM 0 HH22 ARG A 44 103.194 -8.143 27.268 1.00 4.63 H new ATOM 640 N GLU A 45 107.563 -0.276 29.437 1.00 1.87 N ATOM 641 CA GLU A 45 108.271 0.090 30.697 1.00 1.94 C ATOM 642 C GLU A 45 108.164 1.599 30.935 1.00 1.84 C ATOM 643 O GLU A 45 107.718 2.036 31.978 1.00 1.87 O ATOM 644 CB GLU A 45 109.749 -0.310 30.585 1.00 2.09 C ATOM 645 CG GLU A 45 110.377 -0.397 31.981 1.00 2.37 C ATOM 646 CD GLU A 45 110.413 0.994 32.618 1.00 2.40 C ATOM 647 OE1 GLU A 45 111.158 1.828 32.131 1.00 2.89 O ATOM 648 OE2 GLU A 45 109.695 1.200 33.583 1.00 2.73 O ATOM 0 H GLU A 45 107.414 0.492 28.783 1.00 1.87 H new ATOM 0 HA GLU A 45 107.812 -0.436 31.534 1.00 1.94 H new ATOM 0 HB2 GLU A 45 109.837 -1.271 30.078 1.00 2.09 H new ATOM 0 HB3 GLU A 45 110.287 0.420 29.980 1.00 2.09 H new ATOM 0 HG2 GLU A 45 109.802 -1.079 32.607 1.00 2.37 H new ATOM 0 HG3 GLU A 45 111.387 -0.802 31.912 1.00 2.37 H new ATOM 655 N ALA A 46 108.569 2.405 29.987 1.00 1.74 N ATOM 656 CA ALA A 46 108.479 3.876 30.196 1.00 1.71 C ATOM 657 C ALA A 46 107.050 4.226 30.590 1.00 1.64 C ATOM 658 O ALA A 46 106.802 4.832 31.613 1.00 1.71 O ATOM 659 CB ALA A 46 108.844 4.628 28.915 1.00 1.66 C ATOM 0 H ALA A 46 108.953 2.111 29.089 1.00 1.74 H new ATOM 0 HA ALA A 46 109.177 4.167 30.981 1.00 1.71 H new ATOM 0 HB1 ALA A 46 108.772 5.701 29.090 1.00 1.66 H new ATOM 0 HB2 ALA A 46 109.863 4.376 28.623 1.00 1.66 H new ATOM 0 HB3 ALA A 46 108.157 4.343 28.118 1.00 1.66 H new ATOM 665 N GLY A 47 106.106 3.837 29.777 1.00 1.60 N ATOM 666 CA GLY A 47 104.676 4.125 30.078 1.00 1.58 C ATOM 667 C GLY A 47 103.956 4.501 28.782 1.00 1.42 C ATOM 668 O GLY A 47 104.497 4.368 27.703 1.00 1.37 O ATOM 0 H GLY A 47 106.267 3.327 28.909 1.00 1.60 H new ATOM 0 HA2 GLY A 47 104.204 3.253 30.530 1.00 1.58 H new ATOM 0 HA3 GLY A 47 104.600 4.939 30.800 1.00 1.58 H new ATOM 672 N ALA A 48 102.743 4.972 28.875 1.00 1.40 N ATOM 673 CA ALA A 48 102.002 5.356 27.640 1.00 1.27 C ATOM 674 C ALA A 48 102.850 6.335 26.829 1.00 1.21 C ATOM 675 O ALA A 48 103.609 7.112 27.375 1.00 1.37 O ATOM 676 CB ALA A 48 100.680 6.024 28.024 1.00 1.32 C ATOM 0 H ALA A 48 102.234 5.107 29.749 1.00 1.40 H new ATOM 0 HA ALA A 48 101.798 4.466 27.044 1.00 1.27 H new ATOM 0 HB1 ALA A 48 100.138 6.305 27.121 1.00 1.32 H new ATOM 0 HB2 ALA A 48 100.077 5.328 28.607 1.00 1.32 H new ATOM 0 HB3 ALA A 48 100.882 6.915 28.618 1.00 1.32 H new ATOM 682 N GLY A 49 102.732 6.306 25.531 1.00 1.04 N ATOM 683 CA GLY A 49 103.539 7.240 24.696 1.00 1.02 C ATOM 684 C GLY A 49 103.079 7.161 23.241 1.00 0.87 C ATOM 685 O GLY A 49 102.070 6.558 22.929 1.00 0.71 O ATOM 0 H GLY A 49 102.115 5.680 25.014 1.00 1.04 H new ATOM 0 HA2 GLY A 49 103.431 8.259 25.066 1.00 1.02 H new ATOM 0 HA3 GLY A 49 104.596 6.985 24.767 1.00 1.02 H new ATOM 689 N GLY A 50 103.818 7.770 22.346 1.00 0.98 N ATOM 690 CA GLY A 50 103.443 7.748 20.897 1.00 0.86 C ATOM 691 C GLY A 50 104.674 7.402 20.059 1.00 0.86 C ATOM 692 O GLY A 50 105.683 8.075 20.112 1.00 1.06 O ATOM 0 H GLY A 50 104.672 8.286 22.559 1.00 0.98 H new ATOM 0 HA2 GLY A 50 102.655 7.015 20.725 1.00 0.86 H new ATOM 0 HA3 GLY A 50 103.047 8.718 20.598 1.00 0.86 H new ATOM 696 N LEU A 51 104.595 6.357 19.278 1.00 0.74 N ATOM 697 CA LEU A 51 105.755 5.961 18.423 1.00 0.75 C ATOM 698 C LEU A 51 105.537 6.509 17.022 1.00 0.68 C ATOM 699 O LEU A 51 104.829 5.921 16.218 1.00 0.60 O ATOM 700 CB LEU A 51 105.844 4.430 18.363 1.00 0.74 C ATOM 701 CG LEU A 51 107.136 3.995 17.638 1.00 0.81 C ATOM 702 CD1 LEU A 51 108.322 4.001 18.610 1.00 1.10 C ATOM 703 CD2 LEU A 51 106.959 2.578 17.081 1.00 0.77 C ATOM 0 H LEU A 51 103.774 5.758 19.195 1.00 0.74 H new ATOM 0 HA LEU A 51 106.680 6.360 18.840 1.00 0.75 H new ATOM 0 HB2 LEU A 51 105.829 4.019 19.372 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.974 4.029 17.843 1.00 0.74 H new ATOM 0 HG LEU A 51 107.332 4.696 16.826 1.00 0.81 H new ATOM 0 HD11 LEU A 51 109.225 3.692 18.084 1.00 1.10 H new ATOM 0 HD12 LEU A 51 108.460 5.006 19.009 1.00 1.10 H new ATOM 0 HD13 LEU A 51 108.125 3.309 19.429 1.00 1.10 H new ATOM 0 HD21 LEU A 51 107.871 2.272 16.569 1.00 0.77 H new ATOM 0 HD22 LEU A 51 106.753 1.888 17.900 1.00 0.77 H new ATOM 0 HD23 LEU A 51 106.127 2.565 16.377 1.00 0.77 H new ATOM 715 N SER A 52 106.140 7.633 16.714 1.00 0.75 N ATOM 716 CA SER A 52 105.976 8.212 15.375 1.00 0.71 C ATOM 717 C SER A 52 106.994 7.547 14.443 1.00 0.70 C ATOM 718 O SER A 52 108.083 7.204 14.868 1.00 0.78 O ATOM 719 CB SER A 52 106.213 9.730 15.442 1.00 0.82 C ATOM 720 OG SER A 52 107.106 10.013 16.512 1.00 1.56 O ATOM 0 H SER A 52 106.738 8.165 17.346 1.00 0.75 H new ATOM 0 HA SER A 52 104.968 8.040 14.999 1.00 0.71 H new ATOM 0 HB2 SER A 52 106.629 10.088 14.500 1.00 0.82 H new ATOM 0 HB3 SER A 52 105.268 10.252 15.592 1.00 0.82 H new ATOM 0 HG SER A 52 107.263 10.979 16.560 1.00 1.56 H new ATOM 726 N ILE A 53 106.656 7.342 13.186 1.00 0.61 N ATOM 727 CA ILE A 53 107.611 6.684 12.249 1.00 0.61 C ATOM 728 C ILE A 53 107.646 7.439 10.921 1.00 0.57 C ATOM 729 O ILE A 53 106.657 7.535 10.222 1.00 0.65 O ATOM 730 CB ILE A 53 107.168 5.242 11.991 1.00 0.56 C ATOM 731 CG1 ILE A 53 107.026 4.501 13.324 1.00 0.64 C ATOM 732 CG2 ILE A 53 108.214 4.538 11.123 1.00 0.63 C ATOM 733 CD1 ILE A 53 106.429 3.114 13.080 1.00 0.64 C ATOM 0 H ILE A 53 105.760 7.604 12.776 1.00 0.61 H new ATOM 0 HA ILE A 53 108.605 6.691 12.697 1.00 0.61 H new ATOM 0 HB ILE A 53 106.207 5.244 11.476 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.999 4.409 13.806 1.00 0.64 H new ATOM 0 HG13 ILE A 53 106.388 5.069 14.001 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.901 3.510 10.938 1.00 0.63 H new ATOM 0 HG22 ILE A 53 108.313 5.064 10.174 1.00 0.63 H new ATOM 0 HG23 ILE A 53 109.174 4.537 11.639 1.00 0.63 H new ATOM 0 HD11 ILE A 53 106.329 2.589 14.030 1.00 0.64 H new ATOM 0 HD12 ILE A 53 105.448 3.217 12.617 1.00 0.64 H new ATOM 0 HD13 ILE A 53 107.084 2.547 12.419 1.00 0.64 H new ATOM 745 N ALA A 54 108.792 7.960 10.562 1.00 0.60 N ATOM 746 CA ALA A 54 108.928 8.699 9.269 1.00 0.57 C ATOM 747 C ALA A 54 109.710 7.823 8.292 1.00 0.54 C ATOM 748 O ALA A 54 110.904 7.642 8.428 1.00 0.63 O ATOM 749 CB ALA A 54 109.693 10.003 9.505 1.00 0.69 C ATOM 0 H ALA A 54 109.648 7.905 11.115 1.00 0.60 H new ATOM 0 HA ALA A 54 107.943 8.929 8.863 1.00 0.57 H new ATOM 0 HB1 ALA A 54 109.792 10.542 8.563 1.00 0.69 H new ATOM 0 HB2 ALA A 54 109.149 10.620 10.220 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.683 9.777 9.900 1.00 0.69 H new ATOM 755 N VAL A 55 109.046 7.265 7.313 1.00 0.45 N ATOM 756 CA VAL A 55 109.750 6.386 6.330 1.00 0.47 C ATOM 757 C VAL A 55 110.091 7.188 5.077 1.00 0.41 C ATOM 758 O VAL A 55 109.353 8.061 4.665 1.00 0.39 O ATOM 759 CB VAL A 55 108.836 5.215 5.937 1.00 0.47 C ATOM 760 CG1 VAL A 55 109.679 4.066 5.374 1.00 0.91 C ATOM 761 CG2 VAL A 55 108.075 4.723 7.170 1.00 0.79 C ATOM 0 H VAL A 55 108.046 7.380 7.151 1.00 0.45 H new ATOM 0 HA VAL A 55 110.664 6.005 6.785 1.00 0.47 H new ATOM 0 HB VAL A 55 108.129 5.553 5.179 1.00 0.47 H new ATOM 0 HG11 VAL A 55 109.027 3.238 5.097 1.00 0.91 H new ATOM 0 HG12 VAL A 55 110.222 4.410 4.494 1.00 0.91 H new ATOM 0 HG13 VAL A 55 110.389 3.731 6.130 1.00 0.91 H new ATOM 0 HG21 VAL A 55 107.427 3.892 6.890 1.00 0.79 H new ATOM 0 HG22 VAL A 55 108.785 4.390 7.927 1.00 0.79 H new ATOM 0 HG23 VAL A 55 107.470 5.536 7.572 1.00 0.79 H new ATOM 771 N GLU A 56 111.196 6.879 4.456 1.00 0.44 N ATOM 772 CA GLU A 56 111.590 7.594 3.212 1.00 0.40 C ATOM 773 C GLU A 56 112.161 6.556 2.242 1.00 0.43 C ATOM 774 O GLU A 56 112.988 5.742 2.598 1.00 0.52 O ATOM 775 CB GLU A 56 112.626 8.682 3.561 1.00 0.47 C ATOM 776 CG GLU A 56 113.458 9.069 2.328 1.00 0.49 C ATOM 777 CD GLU A 56 114.344 10.269 2.668 1.00 1.08 C ATOM 778 OE1 GLU A 56 114.694 10.411 3.828 1.00 1.80 O ATOM 779 OE2 GLU A 56 114.657 11.024 1.763 1.00 1.71 O ATOM 0 H GLU A 56 111.847 6.156 4.761 1.00 0.44 H new ATOM 0 HA GLU A 56 110.739 8.088 2.744 1.00 0.40 H new ATOM 0 HB2 GLU A 56 112.116 9.563 3.950 1.00 0.47 H new ATOM 0 HB3 GLU A 56 113.286 8.321 4.350 1.00 0.47 H new ATOM 0 HG2 GLU A 56 114.073 8.227 2.012 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.800 9.314 1.494 1.00 0.49 H new ATOM 786 N GLY A 57 111.713 6.566 1.025 1.00 0.41 N ATOM 787 CA GLY A 57 112.223 5.573 0.040 1.00 0.49 C ATOM 788 C GLY A 57 111.565 5.829 -1.318 1.00 0.45 C ATOM 789 O GLY A 57 110.678 6.646 -1.413 1.00 0.44 O ATOM 0 H GLY A 57 111.015 7.217 0.665 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.307 5.652 -0.047 1.00 0.49 H new ATOM 0 HA3 GLY A 57 112.003 4.561 0.379 1.00 0.49 H new ATOM 793 N PRO A 58 112.026 5.134 -2.338 1.00 0.50 N ATOM 794 CA PRO A 58 111.482 5.298 -3.701 1.00 0.52 C ATOM 795 C PRO A 58 109.960 5.158 -3.700 1.00 0.54 C ATOM 796 O PRO A 58 109.276 5.723 -4.530 1.00 0.56 O ATOM 797 CB PRO A 58 112.148 4.177 -4.529 1.00 0.63 C ATOM 798 CG PRO A 58 113.236 3.518 -3.632 1.00 0.66 C ATOM 799 CD PRO A 58 113.112 4.136 -2.220 1.00 0.60 C ATOM 0 HA PRO A 58 111.691 6.285 -4.113 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.409 3.439 -4.840 1.00 0.63 H new ATOM 0 HB3 PRO A 58 112.594 4.584 -5.437 1.00 0.63 H new ATOM 0 HG2 PRO A 58 113.096 2.438 -3.591 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.230 3.696 -4.042 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.872 3.377 -1.476 1.00 0.60 H new ATOM 0 HD3 PRO A 58 114.046 4.603 -1.909 1.00 0.60 H new ATOM 807 N SER A 59 109.429 4.403 -2.783 1.00 0.56 N ATOM 808 CA SER A 59 107.946 4.213 -2.730 1.00 0.60 C ATOM 809 C SER A 59 107.477 4.201 -1.278 1.00 0.55 C ATOM 810 O SER A 59 108.234 3.923 -0.370 1.00 0.55 O ATOM 811 CB SER A 59 107.587 2.883 -3.386 1.00 0.71 C ATOM 812 OG SER A 59 106.174 2.728 -3.396 1.00 1.55 O ATOM 0 H SER A 59 109.955 3.906 -2.064 1.00 0.56 H new ATOM 0 HA SER A 59 107.458 5.032 -3.259 1.00 0.60 H new ATOM 0 HB2 SER A 59 107.975 2.851 -4.404 1.00 0.71 H new ATOM 0 HB3 SER A 59 108.050 2.060 -2.842 1.00 0.71 H new ATOM 0 HG SER A 59 105.843 2.806 -4.315 1.00 1.55 H new ATOM 818 N LYS A 60 106.228 4.501 -1.054 1.00 0.59 N ATOM 819 CA LYS A 60 105.702 4.508 0.336 1.00 0.57 C ATOM 820 C LYS A 60 105.451 3.071 0.784 1.00 0.63 C ATOM 821 O LYS A 60 104.496 2.440 0.376 1.00 0.73 O ATOM 822 CB LYS A 60 104.390 5.296 0.384 1.00 0.63 C ATOM 823 CG LYS A 60 104.560 6.624 -0.357 1.00 1.23 C ATOM 824 CD LYS A 60 103.241 7.398 -0.324 1.00 1.29 C ATOM 825 CE LYS A 60 103.430 8.756 -1.002 1.00 1.87 C ATOM 826 NZ LYS A 60 103.802 8.551 -2.430 1.00 2.53 N ATOM 0 H LYS A 60 105.549 4.742 -1.776 1.00 0.59 H new ATOM 0 HA LYS A 60 106.428 4.978 1.000 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.588 4.714 -0.071 1.00 0.63 H new ATOM 0 HB3 LYS A 60 104.102 5.480 1.419 1.00 0.63 H new ATOM 0 HG2 LYS A 60 105.351 7.213 0.107 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.861 6.441 -1.388 1.00 1.23 H new ATOM 0 HD2 LYS A 60 102.461 6.831 -0.833 1.00 1.29 H new ATOM 0 HD3 LYS A 60 102.914 7.536 0.706 1.00 1.29 H new ATOM 0 HE2 LYS A 60 102.512 9.339 -0.935 1.00 1.87 H new ATOM 0 HE3 LYS A 60 104.207 9.325 -0.491 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 103.273 9.219 -3.026 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 104.822 8.714 -2.550 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 103.571 7.577 -2.712 1.00 2.53 H new ATOM 840 N ALA A 61 106.303 2.545 1.617 1.00 0.66 N ATOM 841 CA ALA A 61 106.114 1.147 2.084 1.00 0.76 C ATOM 842 C ALA A 61 104.965 1.095 3.091 1.00 0.77 C ATOM 843 O ALA A 61 104.850 1.940 3.957 1.00 0.78 O ATOM 844 CB ALA A 61 107.400 0.650 2.745 1.00 0.82 C ATOM 0 H ALA A 61 107.121 3.023 1.994 1.00 0.66 H new ATOM 0 HA ALA A 61 105.876 0.509 1.232 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.260 -0.375 3.087 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.216 0.684 2.024 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.641 1.287 3.596 1.00 0.82 H new ATOM 850 N GLU A 62 104.109 0.113 2.987 1.00 0.88 N ATOM 851 CA GLU A 62 102.972 0.026 3.945 1.00 0.93 C ATOM 852 C GLU A 62 103.477 -0.472 5.296 1.00 0.96 C ATOM 853 O GLU A 62 104.631 -0.808 5.451 1.00 1.43 O ATOM 854 CB GLU A 62 101.896 -0.927 3.416 1.00 1.11 C ATOM 855 CG GLU A 62 101.497 -0.515 1.997 1.00 1.50 C ATOM 856 CD GLU A 62 100.611 -1.599 1.380 1.00 1.72 C ATOM 857 OE1 GLU A 62 99.970 -2.313 2.134 1.00 2.14 O ATOM 858 OE2 GLU A 62 100.588 -1.696 0.164 1.00 2.30 O ATOM 0 H GLU A 62 104.148 -0.626 2.285 1.00 0.88 H new ATOM 0 HA GLU A 62 102.535 1.018 4.060 1.00 0.93 H new ATOM 0 HB2 GLU A 62 102.271 -1.951 3.416 1.00 1.11 H new ATOM 0 HB3 GLU A 62 101.024 -0.906 4.070 1.00 1.11 H new ATOM 0 HG2 GLU A 62 100.964 0.436 2.019 1.00 1.50 H new ATOM 0 HG3 GLU A 62 102.387 -0.367 1.386 1.00 1.50 H new ATOM 865 N ILE A 63 102.609 -0.516 6.271 1.00 0.97 N ATOM 866 CA ILE A 63 102.996 -0.980 7.638 1.00 0.94 C ATOM 867 C ILE A 63 101.845 -1.830 8.195 1.00 1.01 C ATOM 868 O ILE A 63 100.714 -1.683 7.775 1.00 1.06 O ATOM 869 CB ILE A 63 103.233 0.236 8.566 1.00 0.89 C ATOM 870 CG1 ILE A 63 103.924 1.390 7.805 1.00 1.06 C ATOM 871 CG2 ILE A 63 104.109 -0.179 9.754 1.00 1.28 C ATOM 872 CD1 ILE A 63 105.390 1.051 7.478 1.00 1.40 C ATOM 0 H ILE A 63 101.630 -0.245 6.177 1.00 0.97 H new ATOM 0 HA ILE A 63 103.916 -1.563 7.587 1.00 0.94 H new ATOM 0 HB ILE A 63 102.263 0.583 8.922 1.00 0.89 H new ATOM 0 HG12 ILE A 63 103.382 1.595 6.882 1.00 1.06 H new ATOM 0 HG13 ILE A 63 103.885 2.299 8.406 1.00 1.06 H new ATOM 0 HG21 ILE A 63 104.272 0.681 10.404 1.00 1.28 H new ATOM 0 HG22 ILE A 63 103.610 -0.969 10.316 1.00 1.28 H new ATOM 0 HG23 ILE A 63 105.068 -0.545 9.388 1.00 1.28 H new ATOM 0 HD11 ILE A 63 105.845 1.884 6.943 1.00 1.40 H new ATOM 0 HD12 ILE A 63 105.937 0.872 8.404 1.00 1.40 H new ATOM 0 HD13 ILE A 63 105.427 0.157 6.856 1.00 1.40 H new ATOM 884 N ALA A 64 102.100 -2.716 9.136 1.00 1.04 N ATOM 885 CA ALA A 64 100.984 -3.546 9.690 1.00 1.13 C ATOM 886 C ALA A 64 101.229 -3.778 11.180 1.00 1.14 C ATOM 887 O ALA A 64 102.249 -3.400 11.708 1.00 1.36 O ATOM 888 CB ALA A 64 100.923 -4.892 8.949 1.00 1.26 C ATOM 0 H ALA A 64 103.020 -2.896 9.537 1.00 1.04 H new ATOM 0 HA ALA A 64 100.035 -3.028 9.555 1.00 1.13 H new ATOM 0 HB1 ALA A 64 100.110 -5.494 9.354 1.00 1.26 H new ATOM 0 HB2 ALA A 64 100.749 -4.715 7.887 1.00 1.26 H new ATOM 0 HB3 ALA A 64 101.867 -5.422 9.079 1.00 1.26 H new ATOM 894 N PHE A 65 100.299 -4.396 11.862 1.00 1.16 N ATOM 895 CA PHE A 65 100.481 -4.650 13.323 1.00 1.16 C ATOM 896 C PHE A 65 99.796 -5.965 13.701 1.00 1.28 C ATOM 897 O PHE A 65 98.593 -6.102 13.599 1.00 1.35 O ATOM 898 CB PHE A 65 99.857 -3.502 14.119 1.00 1.11 C ATOM 899 CG PHE A 65 98.383 -3.414 13.801 1.00 1.20 C ATOM 900 CD1 PHE A 65 97.957 -2.766 12.636 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.444 -3.981 14.671 1.00 1.30 C ATOM 902 CE1 PHE A 65 96.591 -2.685 12.341 1.00 1.37 C ATOM 903 CE2 PHE A 65 96.079 -3.900 14.376 1.00 1.43 C ATOM 904 CZ PHE A 65 95.652 -3.252 13.211 1.00 1.47 C ATOM 0 H PHE A 65 99.421 -4.736 11.470 1.00 1.16 H new ATOM 0 HA PHE A 65 101.545 -4.716 13.552 1.00 1.16 H new ATOM 0 HB2 PHE A 65 100.001 -3.665 15.187 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.351 -2.562 13.871 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.682 -2.329 11.965 1.00 1.23 H new ATOM 0 HD2 PHE A 65 97.773 -4.481 15.570 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.261 -2.185 11.442 1.00 1.37 H new ATOM 0 HE2 PHE A 65 95.355 -4.337 15.047 1.00 1.43 H new ATOM 0 HZ PHE A 65 94.598 -3.189 12.983 1.00 1.47 H new ATOM 914 N GLU A 66 100.556 -6.935 14.140 1.00 1.35 N ATOM 915 CA GLU A 66 99.961 -8.251 14.530 1.00 1.50 C ATOM 916 C GLU A 66 100.684 -8.784 15.769 1.00 1.54 C ATOM 917 O GLU A 66 101.838 -9.160 15.712 1.00 1.61 O ATOM 918 CB GLU A 66 100.125 -9.244 13.377 1.00 1.62 C ATOM 919 CG GLU A 66 99.338 -10.520 13.681 1.00 1.80 C ATOM 920 CD GLU A 66 99.656 -11.579 12.623 1.00 1.94 C ATOM 921 OE1 GLU A 66 100.303 -11.237 11.647 1.00 2.01 O ATOM 922 OE2 GLU A 66 99.247 -12.714 12.808 1.00 2.51 O ATOM 0 H GLU A 66 101.569 -6.873 14.246 1.00 1.35 H new ATOM 0 HA GLU A 66 98.901 -8.124 14.752 1.00 1.50 H new ATOM 0 HB2 GLU A 66 99.770 -8.799 12.447 1.00 1.62 H new ATOM 0 HB3 GLU A 66 101.180 -9.481 13.235 1.00 1.62 H new ATOM 0 HG2 GLU A 66 99.596 -10.892 14.672 1.00 1.80 H new ATOM 0 HG3 GLU A 66 98.269 -10.308 13.689 1.00 1.80 H new ATOM 929 N ASP A 67 100.015 -8.821 16.890 1.00 1.56 N ATOM 930 CA ASP A 67 100.667 -9.331 18.130 1.00 1.64 C ATOM 931 C ASP A 67 100.778 -10.855 18.060 1.00 1.84 C ATOM 932 O ASP A 67 99.787 -11.555 17.997 1.00 2.03 O ATOM 933 CB ASP A 67 99.828 -8.936 19.347 1.00 1.66 C ATOM 934 CG ASP A 67 98.358 -9.267 19.083 1.00 1.66 C ATOM 935 OD1 ASP A 67 98.020 -10.439 19.117 1.00 2.07 O ATOM 936 OD2 ASP A 67 97.595 -8.343 18.853 1.00 1.95 O ATOM 0 H ASP A 67 99.047 -8.521 17.000 1.00 1.56 H new ATOM 0 HA ASP A 67 101.664 -8.899 18.220 1.00 1.64 H new ATOM 0 HB2 ASP A 67 100.178 -9.468 20.232 1.00 1.66 H new ATOM 0 HB3 ASP A 67 99.941 -7.871 19.550 1.00 1.66 H new ATOM 941 N ARG A 68 101.981 -11.375 18.072 1.00 1.89 N ATOM 942 CA ARG A 68 102.171 -12.859 18.006 1.00 2.13 C ATOM 943 C ARG A 68 102.493 -13.394 19.402 1.00 2.20 C ATOM 944 O ARG A 68 102.268 -14.551 19.697 1.00 2.42 O ATOM 945 CB ARG A 68 103.332 -13.179 17.062 1.00 2.38 C ATOM 946 CG ARG A 68 103.467 -14.696 16.913 1.00 2.81 C ATOM 947 CD ARG A 68 104.366 -15.014 15.718 1.00 3.07 C ATOM 948 NE ARG A 68 105.610 -14.198 15.801 1.00 3.54 N ATOM 949 CZ ARG A 68 106.644 -14.506 15.066 1.00 4.11 C ATOM 950 NH1 ARG A 68 106.589 -15.531 14.259 1.00 4.63 N ATOM 951 NH2 ARG A 68 107.732 -13.791 15.138 1.00 4.56 N ATOM 0 H ARG A 68 102.844 -10.833 18.125 1.00 1.89 H new ATOM 0 HA ARG A 68 101.258 -13.327 17.638 1.00 2.13 H new ATOM 0 HB2 ARG A 68 103.159 -12.721 16.088 1.00 2.38 H new ATOM 0 HB3 ARG A 68 104.258 -12.758 17.452 1.00 2.38 H new ATOM 0 HG2 ARG A 68 103.888 -15.125 17.822 1.00 2.81 H new ATOM 0 HG3 ARG A 68 102.485 -15.147 16.773 1.00 2.81 H new ATOM 0 HD2 ARG A 68 104.614 -16.075 15.709 1.00 3.07 H new ATOM 0 HD3 ARG A 68 103.840 -14.801 14.787 1.00 3.07 H new ATOM 0 HE ARG A 68 105.654 -13.398 16.433 1.00 3.54 H new ATOM 0 HH11 ARG A 68 105.738 -16.091 14.203 1.00 4.63 H new ATOM 0 HH12 ARG A 68 107.397 -15.772 13.685 1.00 4.63 H new ATOM 0 HH21 ARG A 68 107.775 -12.991 15.769 1.00 4.56 H new ATOM 0 HH22 ARG A 68 108.540 -14.032 14.564 1.00 4.56 H new ATOM 965 N LYS A 69 103.020 -12.557 20.262 1.00 2.12 N ATOM 966 CA LYS A 69 103.367 -12.994 21.651 1.00 2.31 C ATOM 967 C LYS A 69 102.601 -12.131 22.652 1.00 2.26 C ATOM 968 O LYS A 69 102.748 -12.277 23.848 1.00 2.46 O ATOM 969 CB LYS A 69 104.870 -12.810 21.878 1.00 2.41 C ATOM 970 CG LYS A 69 105.640 -13.353 20.671 1.00 2.56 C ATOM 971 CD LYS A 69 107.133 -13.429 21.005 1.00 2.70 C ATOM 972 CE LYS A 69 107.871 -14.176 19.893 1.00 3.11 C ATOM 973 NZ LYS A 69 107.612 -13.507 18.586 1.00 3.49 N ATOM 0 H LYS A 69 103.227 -11.579 20.059 1.00 2.12 H new ATOM 0 HA LYS A 69 103.100 -14.042 21.784 1.00 2.31 H new ATOM 0 HB2 LYS A 69 105.100 -11.755 22.024 1.00 2.41 H new ATOM 0 HB3 LYS A 69 105.178 -13.332 22.784 1.00 2.41 H new ATOM 0 HG2 LYS A 69 105.266 -14.341 20.403 1.00 2.56 H new ATOM 0 HG3 LYS A 69 105.483 -12.708 19.807 1.00 2.56 H new ATOM 0 HD2 LYS A 69 107.543 -12.425 21.116 1.00 2.70 H new ATOM 0 HD3 LYS A 69 107.277 -13.939 21.957 1.00 2.70 H new ATOM 0 HE2 LYS A 69 108.941 -14.192 20.099 1.00 3.11 H new ATOM 0 HE3 LYS A 69 107.538 -15.213 19.855 1.00 3.11 H new ATOM 0 HZ1 LYS A 69 108.319 -13.819 17.890 1.00 3.49 H new ATOM 0 HZ2 LYS A 69 106.661 -13.759 18.250 1.00 3.49 H new ATOM 0 HZ3 LYS A 69 107.676 -12.476 18.705 1.00 3.49 H new ATOM 987 N ASP A 70 101.790 -11.227 22.169 1.00 2.12 N ATOM 988 CA ASP A 70 101.016 -10.343 23.089 1.00 2.24 C ATOM 989 C ASP A 70 101.961 -9.303 23.698 1.00 2.16 C ATOM 990 O ASP A 70 101.549 -8.229 24.090 1.00 2.34 O ATOM 991 CB ASP A 70 100.380 -11.194 24.209 1.00 2.58 C ATOM 992 CG ASP A 70 99.046 -10.580 24.651 1.00 2.68 C ATOM 993 OD1 ASP A 70 99.077 -9.657 25.448 1.00 3.06 O ATOM 994 OD2 ASP A 70 98.020 -11.044 24.184 1.00 2.89 O ATOM 0 H ASP A 70 101.630 -11.063 21.175 1.00 2.12 H new ATOM 0 HA ASP A 70 100.226 -9.836 22.536 1.00 2.24 H new ATOM 0 HB2 ASP A 70 100.220 -12.212 23.855 1.00 2.58 H new ATOM 0 HB3 ASP A 70 101.059 -11.255 25.059 1.00 2.58 H new ATOM 999 N GLY A 71 103.228 -9.625 23.787 1.00 2.05 N ATOM 1000 CA GLY A 71 104.222 -8.678 24.378 1.00 2.02 C ATOM 1001 C GLY A 71 105.124 -8.117 23.278 1.00 1.94 C ATOM 1002 O GLY A 71 105.606 -7.005 23.367 1.00 2.16 O ATOM 0 H GLY A 71 103.619 -10.513 23.472 1.00 2.05 H new ATOM 0 HA2 GLY A 71 103.705 -7.864 24.886 1.00 2.02 H new ATOM 0 HA3 GLY A 71 104.824 -9.191 25.128 1.00 2.02 H new ATOM 1006 N SER A 72 105.363 -8.877 22.241 1.00 1.78 N ATOM 1007 CA SER A 72 106.241 -8.388 21.134 1.00 1.72 C ATOM 1008 C SER A 72 105.380 -7.795 20.018 1.00 1.60 C ATOM 1009 O SER A 72 104.636 -8.492 19.356 1.00 1.64 O ATOM 1010 CB SER A 72 107.053 -9.559 20.580 1.00 1.82 C ATOM 1011 OG SER A 72 106.196 -10.412 19.832 1.00 2.20 O ATOM 0 H SER A 72 104.988 -9.817 22.112 1.00 1.78 H new ATOM 0 HA SER A 72 106.914 -7.621 21.517 1.00 1.72 H new ATOM 0 HB2 SER A 72 107.860 -9.190 19.947 1.00 1.82 H new ATOM 0 HB3 SER A 72 107.516 -10.114 21.396 1.00 1.82 H new ATOM 0 HG SER A 72 105.294 -10.030 19.807 1.00 2.20 H new ATOM 1017 N CYS A 73 105.479 -6.512 19.801 1.00 1.50 N ATOM 1018 CA CYS A 73 104.672 -5.871 18.726 1.00 1.40 C ATOM 1019 C CYS A 73 105.287 -6.202 17.364 1.00 1.37 C ATOM 1020 O CYS A 73 106.370 -5.763 17.036 1.00 1.39 O ATOM 1021 CB CYS A 73 104.662 -4.354 18.928 1.00 1.31 C ATOM 1022 SG CYS A 73 103.400 -3.613 17.862 1.00 2.05 S ATOM 0 H CYS A 73 106.085 -5.879 20.323 1.00 1.50 H new ATOM 0 HA CYS A 73 103.650 -6.247 18.765 1.00 1.40 H new ATOM 0 HB2 CYS A 73 104.457 -4.117 19.972 1.00 1.31 H new ATOM 0 HB3 CYS A 73 105.642 -3.938 18.693 1.00 1.31 H new ATOM 0 HG CYS A 73 103.389 -2.324 18.034 1.00 2.05 H new ATOM 1028 N GLY A 74 104.598 -6.977 16.571 1.00 1.39 N ATOM 1029 CA GLY A 74 105.125 -7.349 15.225 1.00 1.38 C ATOM 1030 C GLY A 74 104.625 -6.344 14.189 1.00 1.28 C ATOM 1031 O GLY A 74 103.439 -6.207 13.967 1.00 1.26 O ATOM 0 H GLY A 74 103.686 -7.372 16.799 1.00 1.39 H new ATOM 0 HA2 GLY A 74 106.215 -7.361 15.240 1.00 1.38 H new ATOM 0 HA3 GLY A 74 104.799 -8.355 14.960 1.00 1.38 H new ATOM 1035 N VAL A 75 105.527 -5.639 13.556 1.00 1.25 N ATOM 1036 CA VAL A 75 105.125 -4.627 12.523 1.00 1.16 C ATOM 1037 C VAL A 75 105.516 -5.131 11.137 1.00 1.20 C ATOM 1038 O VAL A 75 106.679 -5.275 10.817 1.00 1.25 O ATOM 1039 CB VAL A 75 105.828 -3.293 12.814 1.00 1.11 C ATOM 1040 CG1 VAL A 75 105.066 -2.533 13.904 1.00 1.31 C ATOM 1041 CG2 VAL A 75 107.254 -3.559 13.297 1.00 1.57 C ATOM 0 H VAL A 75 106.532 -5.719 13.709 1.00 1.25 H new ATOM 0 HA VAL A 75 104.046 -4.478 12.557 1.00 1.16 H new ATOM 0 HB VAL A 75 105.853 -2.698 11.901 1.00 1.11 H new ATOM 0 HG11 VAL A 75 105.568 -1.587 14.107 1.00 1.31 H new ATOM 0 HG12 VAL A 75 104.048 -2.338 13.568 1.00 1.31 H new ATOM 0 HG13 VAL A 75 105.039 -3.132 14.814 1.00 1.31 H new ATOM 0 HG21 VAL A 75 107.751 -2.611 13.503 1.00 1.57 H new ATOM 0 HG22 VAL A 75 107.224 -4.158 14.207 1.00 1.57 H new ATOM 0 HG23 VAL A 75 107.805 -4.098 12.526 1.00 1.57 H new ATOM 1051 N SER A 76 104.542 -5.393 10.306 1.00 1.22 N ATOM 1052 CA SER A 76 104.839 -5.880 8.928 1.00 1.29 C ATOM 1053 C SER A 76 104.909 -4.672 7.996 1.00 1.19 C ATOM 1054 O SER A 76 104.539 -3.584 8.370 1.00 1.20 O ATOM 1055 CB SER A 76 103.739 -6.858 8.468 1.00 1.40 C ATOM 1056 OG SER A 76 103.079 -7.386 9.611 1.00 1.85 O ATOM 0 H SER A 76 103.551 -5.290 10.523 1.00 1.22 H new ATOM 0 HA SER A 76 105.791 -6.411 8.911 1.00 1.29 H new ATOM 0 HB2 SER A 76 103.024 -6.345 7.825 1.00 1.40 H new ATOM 0 HB3 SER A 76 104.175 -7.665 7.879 1.00 1.40 H new ATOM 0 HG SER A 76 102.377 -8.007 9.325 1.00 1.85 H new ATOM 1062 N TYR A 77 105.393 -4.849 6.800 1.00 1.21 N ATOM 1063 CA TYR A 77 105.494 -3.694 5.861 1.00 1.12 C ATOM 1064 C TYR A 77 105.698 -4.222 4.437 1.00 1.20 C ATOM 1065 O TYR A 77 105.975 -5.389 4.244 1.00 1.43 O ATOM 1066 CB TYR A 77 106.695 -2.822 6.268 1.00 1.07 C ATOM 1067 CG TYR A 77 107.994 -3.533 5.932 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.341 -4.716 6.597 1.00 1.33 C ATOM 1069 CD2 TYR A 77 108.850 -3.010 4.950 1.00 1.18 C ATOM 1070 CE1 TYR A 77 109.535 -5.372 6.284 1.00 1.47 C ATOM 1071 CE2 TYR A 77 110.045 -3.669 4.638 1.00 1.28 C ATOM 1072 CZ TYR A 77 110.387 -4.851 5.304 1.00 1.39 C ATOM 1073 OH TYR A 77 111.565 -5.500 4.996 1.00 1.54 O ATOM 0 H TYR A 77 105.723 -5.741 6.430 1.00 1.21 H new ATOM 0 HA TYR A 77 104.582 -3.099 5.899 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.651 -1.864 5.750 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.654 -2.609 7.336 1.00 1.07 H new ATOM 0 HD1 TYR A 77 107.685 -5.122 7.353 1.00 1.33 H new ATOM 0 HD2 TYR A 77 108.586 -2.098 4.435 1.00 1.18 H new ATOM 0 HE1 TYR A 77 109.800 -6.283 6.800 1.00 1.47 H new ATOM 0 HE2 TYR A 77 110.703 -3.265 3.883 1.00 1.28 H new ATOM 0 HH TYR A 77 112.193 -5.410 5.743 1.00 1.54 H new ATOM 1083 N VAL A 78 105.575 -3.381 3.435 1.00 1.13 N ATOM 1084 CA VAL A 78 105.784 -3.874 2.027 1.00 1.21 C ATOM 1085 C VAL A 78 106.484 -2.803 1.183 1.00 1.14 C ATOM 1086 O VAL A 78 105.953 -1.746 0.933 1.00 1.11 O ATOM 1087 CB VAL A 78 104.431 -4.253 1.398 1.00 1.29 C ATOM 1088 CG1 VAL A 78 103.652 -2.995 0.985 1.00 1.81 C ATOM 1089 CG2 VAL A 78 104.672 -5.133 0.165 1.00 1.90 C ATOM 0 H VAL A 78 105.343 -2.392 3.524 1.00 1.13 H new ATOM 0 HA VAL A 78 106.420 -4.759 2.055 1.00 1.21 H new ATOM 0 HB VAL A 78 103.843 -4.799 2.136 1.00 1.29 H new ATOM 0 HG11 VAL A 78 102.699 -3.286 0.543 1.00 1.81 H new ATOM 0 HG12 VAL A 78 103.470 -2.375 1.863 1.00 1.81 H new ATOM 0 HG13 VAL A 78 104.233 -2.430 0.256 1.00 1.81 H new ATOM 0 HG21 VAL A 78 103.715 -5.403 -0.282 1.00 1.90 H new ATOM 0 HG22 VAL A 78 105.271 -4.584 -0.562 1.00 1.90 H new ATOM 0 HG23 VAL A 78 105.202 -6.038 0.462 1.00 1.90 H new ATOM 1099 N VAL A 79 107.681 -3.083 0.737 1.00 1.17 N ATOM 1100 CA VAL A 79 108.429 -2.095 -0.098 1.00 1.11 C ATOM 1101 C VAL A 79 108.080 -2.314 -1.572 1.00 1.15 C ATOM 1102 O VAL A 79 107.727 -3.401 -1.978 1.00 1.24 O ATOM 1103 CB VAL A 79 109.931 -2.294 0.114 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.315 -1.818 1.524 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.269 -3.781 -0.039 1.00 1.27 C ATOM 0 H VAL A 79 108.175 -3.957 0.916 1.00 1.17 H new ATOM 0 HA VAL A 79 108.154 -1.080 0.191 1.00 1.11 H new ATOM 0 HB VAL A 79 110.487 -1.717 -0.625 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.385 -1.959 1.677 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.069 -0.761 1.631 1.00 1.13 H new ATOM 0 HG13 VAL A 79 109.763 -2.395 2.266 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.339 -3.928 0.111 1.00 1.27 H new ATOM 0 HG22 VAL A 79 109.716 -4.358 0.702 1.00 1.27 H new ATOM 0 HG23 VAL A 79 109.994 -4.116 -1.039 1.00 1.27 H new ATOM 1115 N GLN A 80 108.159 -1.286 -2.376 1.00 1.10 N ATOM 1116 CA GLN A 80 107.809 -1.437 -3.822 1.00 1.15 C ATOM 1117 C GLN A 80 109.038 -1.853 -4.638 1.00 1.17 C ATOM 1118 O GLN A 80 108.984 -2.788 -5.412 1.00 1.25 O ATOM 1119 CB GLN A 80 107.271 -0.102 -4.355 1.00 1.11 C ATOM 1120 CG GLN A 80 106.441 -0.341 -5.620 1.00 1.18 C ATOM 1121 CD GLN A 80 106.183 0.994 -6.323 1.00 1.80 C ATOM 1122 OE1 GLN A 80 107.176 1.621 -6.893 1.00 2.47 O flip ATOM 1123 NE2 GLN A 80 105.067 1.472 -6.353 1.00 2.48 N flip ATOM 0 H GLN A 80 108.450 -0.349 -2.096 1.00 1.10 H new ATOM 0 HA GLN A 80 107.049 -2.212 -3.919 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.659 0.383 -3.594 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.099 0.572 -4.575 1.00 1.11 H new ATOM 0 HG2 GLN A 80 106.968 -1.021 -6.290 1.00 1.18 H new ATOM 0 HG3 GLN A 80 105.495 -0.817 -5.362 1.00 1.18 H new ATOM 0 HE21 GLN A 80 104.291 0.983 -5.908 1.00 2.48 H new ATOM 0 HE22 GLN A 80 104.906 2.363 -6.823 1.00 2.48 H new ATOM 1132 N GLU A 81 110.146 -1.164 -4.495 1.00 1.11 N ATOM 1133 CA GLU A 81 111.360 -1.538 -5.301 1.00 1.13 C ATOM 1134 C GLU A 81 112.657 -1.116 -4.568 1.00 1.07 C ATOM 1135 O GLU A 81 112.635 -0.218 -3.751 1.00 0.98 O ATOM 1136 CB GLU A 81 111.307 -0.877 -6.707 1.00 1.11 C ATOM 1137 CG GLU A 81 110.131 0.089 -6.788 1.00 1.43 C ATOM 1138 CD GLU A 81 110.244 0.931 -8.060 1.00 1.37 C ATOM 1139 OE1 GLU A 81 110.523 0.360 -9.102 1.00 1.92 O ATOM 1140 OE2 GLU A 81 110.052 2.132 -7.971 1.00 1.65 O ATOM 0 H GLU A 81 110.265 -0.370 -3.866 1.00 1.11 H new ATOM 0 HA GLU A 81 111.364 -2.621 -5.421 1.00 1.13 H new ATOM 0 HB2 GLU A 81 112.238 -0.346 -6.903 1.00 1.11 H new ATOM 0 HB3 GLU A 81 111.211 -1.645 -7.475 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.192 -0.465 -6.789 1.00 1.43 H new ATOM 0 HG3 GLU A 81 110.118 0.737 -5.911 1.00 1.43 H new ATOM 1147 N PRO A 82 113.758 -1.776 -4.902 1.00 1.14 N ATOM 1148 CA PRO A 82 115.080 -1.492 -4.317 1.00 1.14 C ATOM 1149 C PRO A 82 115.329 -0.013 -4.075 1.00 1.00 C ATOM 1150 O PRO A 82 114.658 0.856 -4.595 1.00 0.91 O ATOM 1151 CB PRO A 82 116.062 -2.064 -5.341 1.00 1.23 C ATOM 1152 CG PRO A 82 115.297 -3.199 -6.040 1.00 1.30 C ATOM 1153 CD PRO A 82 113.796 -2.879 -5.887 1.00 1.26 C ATOM 0 HA PRO A 82 115.180 -1.936 -3.327 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.375 -1.302 -6.055 1.00 1.23 H new ATOM 0 HB3 PRO A 82 116.964 -2.437 -4.856 1.00 1.23 H new ATOM 0 HG2 PRO A 82 115.574 -3.262 -7.092 1.00 1.30 H new ATOM 0 HG3 PRO A 82 115.536 -4.162 -5.589 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.354 -2.580 -6.837 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.238 -3.747 -5.535 1.00 1.26 H new ATOM 1161 N GLY A 83 116.315 0.254 -3.270 1.00 0.99 N ATOM 1162 CA GLY A 83 116.678 1.663 -2.938 1.00 0.89 C ATOM 1163 C GLY A 83 117.161 1.728 -1.489 1.00 0.92 C ATOM 1164 O GLY A 83 117.239 0.726 -0.806 1.00 1.02 O ATOM 0 H GLY A 83 116.896 -0.453 -2.819 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.459 2.018 -3.611 1.00 0.89 H new ATOM 0 HA3 GLY A 83 115.816 2.316 -3.077 1.00 0.89 H new ATOM 1168 N ASP A 84 117.472 2.903 -1.012 1.00 0.87 N ATOM 1169 CA ASP A 84 117.937 3.054 0.399 1.00 0.93 C ATOM 1170 C ASP A 84 116.755 3.530 1.235 1.00 0.83 C ATOM 1171 O ASP A 84 116.511 4.711 1.373 1.00 0.76 O ATOM 1172 CB ASP A 84 119.071 4.084 0.462 1.00 0.98 C ATOM 1173 CG ASP A 84 118.819 5.180 -0.573 1.00 1.39 C ATOM 1174 OD1 ASP A 84 118.754 4.854 -1.747 1.00 2.06 O ATOM 1175 OD2 ASP A 84 118.695 6.326 -0.175 1.00 2.13 O ATOM 0 H ASP A 84 117.424 3.772 -1.543 1.00 0.87 H new ATOM 0 HA ASP A 84 118.311 2.104 0.781 1.00 0.93 H new ATOM 0 HB2 ASP A 84 119.128 4.518 1.460 1.00 0.98 H new ATOM 0 HB3 ASP A 84 120.028 3.600 0.269 1.00 0.98 H new ATOM 1180 N TYR A 85 116.019 2.616 1.786 1.00 0.84 N ATOM 1181 CA TYR A 85 114.850 3.001 2.608 1.00 0.76 C ATOM 1182 C TYR A 85 115.359 3.492 3.964 1.00 0.80 C ATOM 1183 O TYR A 85 116.190 2.868 4.593 1.00 0.92 O ATOM 1184 CB TYR A 85 113.941 1.767 2.765 1.00 0.80 C ATOM 1185 CG TYR A 85 112.790 1.828 1.784 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.617 2.512 2.121 1.00 0.64 C ATOM 1187 CD2 TYR A 85 112.901 1.198 0.540 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.554 2.566 1.213 1.00 0.61 C ATOM 1189 CE2 TYR A 85 111.840 1.250 -0.369 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.665 1.935 -0.033 1.00 0.67 C ATOM 1191 OH TYR A 85 109.616 1.987 -0.929 1.00 0.68 O ATOM 0 H TYR A 85 116.178 1.612 1.702 1.00 0.84 H new ATOM 0 HA TYR A 85 114.275 3.800 2.140 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.520 0.858 2.600 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.556 1.719 3.784 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.532 2.998 3.082 1.00 0.64 H new ATOM 0 HD2 TYR A 85 113.807 0.671 0.281 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.648 3.094 1.472 1.00 0.61 H new ATOM 0 HE2 TYR A 85 111.926 0.763 -1.329 1.00 0.75 H new ATOM 0 HH TYR A 85 108.860 2.458 -0.520 1.00 0.68 H new ATOM 1201 N GLU A 86 114.867 4.618 4.402 1.00 0.73 N ATOM 1202 CA GLU A 86 115.304 5.203 5.713 1.00 0.78 C ATOM 1203 C GLU A 86 114.105 5.199 6.666 1.00 0.74 C ATOM 1204 O GLU A 86 113.116 5.866 6.433 1.00 0.68 O ATOM 1205 CB GLU A 86 115.828 6.663 5.514 1.00 0.78 C ATOM 1206 CG GLU A 86 115.679 7.114 4.047 1.00 0.72 C ATOM 1207 CD GLU A 86 116.829 6.549 3.209 1.00 0.85 C ATOM 1208 OE1 GLU A 86 117.480 5.629 3.676 1.00 1.26 O ATOM 1209 OE2 GLU A 86 117.038 7.047 2.115 1.00 1.53 O ATOM 0 H GLU A 86 114.169 5.170 3.903 1.00 0.73 H new ATOM 0 HA GLU A 86 116.117 4.608 6.129 1.00 0.78 H new ATOM 0 HB2 GLU A 86 115.276 7.342 6.164 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.875 6.720 5.810 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.724 6.772 3.647 1.00 0.72 H new ATOM 0 HG3 GLU A 86 115.677 8.203 3.990 1.00 0.72 H new ATOM 1216 N VAL A 87 114.191 4.448 7.733 1.00 0.81 N ATOM 1217 CA VAL A 87 113.066 4.379 8.716 1.00 0.78 C ATOM 1218 C VAL A 87 113.505 5.014 10.037 1.00 0.86 C ATOM 1219 O VAL A 87 114.571 4.727 10.547 1.00 0.99 O ATOM 1220 CB VAL A 87 112.691 2.905 8.936 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.709 2.225 9.856 1.00 1.00 C ATOM 1222 CG2 VAL A 87 111.297 2.817 9.568 1.00 0.83 C ATOM 0 H VAL A 87 115.000 3.873 7.969 1.00 0.81 H new ATOM 0 HA VAL A 87 112.200 4.921 8.336 1.00 0.78 H new ATOM 0 HB VAL A 87 112.692 2.397 7.971 1.00 0.84 H new ATOM 0 HG11 VAL A 87 113.428 1.182 10.001 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.699 2.275 9.403 1.00 1.00 H new ATOM 0 HG13 VAL A 87 113.725 2.734 10.820 1.00 1.00 H new ATOM 0 HG21 VAL A 87 111.033 1.771 9.723 1.00 0.83 H new ATOM 0 HG22 VAL A 87 111.298 3.337 10.526 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.567 3.281 8.905 1.00 0.83 H new ATOM 1232 N SER A 88 112.685 5.868 10.596 1.00 0.81 N ATOM 1233 CA SER A 88 113.031 6.530 11.893 1.00 0.91 C ATOM 1234 C SER A 88 111.941 6.204 12.910 1.00 0.87 C ATOM 1235 O SER A 88 110.780 6.194 12.581 1.00 0.84 O ATOM 1236 CB SER A 88 113.098 8.046 11.686 1.00 0.94 C ATOM 1237 OG SER A 88 113.763 8.323 10.461 1.00 1.59 O ATOM 0 H SER A 88 111.782 6.138 10.206 1.00 0.81 H new ATOM 0 HA SER A 88 113.996 6.173 12.252 1.00 0.91 H new ATOM 0 HB2 SER A 88 112.093 8.467 11.671 1.00 0.94 H new ATOM 0 HB3 SER A 88 113.628 8.515 12.515 1.00 0.94 H new ATOM 0 HG SER A 88 113.806 9.292 10.324 1.00 1.59 H new ATOM 1243 N ILE A 89 112.297 5.933 14.140 1.00 0.99 N ATOM 1244 CA ILE A 89 111.253 5.609 15.171 1.00 0.98 C ATOM 1245 C ILE A 89 111.630 6.244 16.508 1.00 1.08 C ATOM 1246 O ILE A 89 112.732 6.087 16.996 1.00 1.20 O ATOM 1247 CB ILE A 89 111.122 4.075 15.328 1.00 1.03 C ATOM 1248 CG1 ILE A 89 112.174 3.538 16.324 1.00 1.19 C ATOM 1249 CG2 ILE A 89 111.322 3.413 13.961 1.00 1.00 C ATOM 1250 CD1 ILE A 89 112.215 2.006 16.278 1.00 1.29 C ATOM 0 H ILE A 89 113.259 5.921 14.478 1.00 0.99 H new ATOM 0 HA ILE A 89 110.294 6.012 14.846 1.00 0.98 H new ATOM 0 HB ILE A 89 110.130 3.841 15.714 1.00 1.03 H new ATOM 0 HG12 ILE A 89 113.156 3.943 16.080 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.934 3.872 17.333 1.00 1.19 H new ATOM 0 HG21 ILE A 89 111.231 2.332 14.064 1.00 1.00 H new ATOM 0 HG22 ILE A 89 110.565 3.777 13.266 1.00 1.00 H new ATOM 0 HG23 ILE A 89 112.313 3.659 13.579 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.960 1.641 16.984 1.00 1.29 H new ATOM 0 HD12 ILE A 89 111.236 1.608 16.545 1.00 1.29 H new ATOM 0 HD13 ILE A 89 112.478 1.679 15.272 1.00 1.29 H new ATOM 1262 N LYS A 90 110.704 6.929 17.114 1.00 1.05 N ATOM 1263 CA LYS A 90 110.959 7.552 18.438 1.00 1.16 C ATOM 1264 C LYS A 90 109.735 7.305 19.310 1.00 1.11 C ATOM 1265 O LYS A 90 108.626 7.670 18.963 1.00 1.01 O ATOM 1266 CB LYS A 90 111.168 9.061 18.281 1.00 1.22 C ATOM 1267 CG LYS A 90 110.199 9.612 17.213 1.00 1.15 C ATOM 1268 CD LYS A 90 110.927 9.788 15.860 1.00 1.34 C ATOM 1269 CE LYS A 90 109.925 9.726 14.688 1.00 1.04 C ATOM 1270 NZ LYS A 90 110.013 8.387 14.040 1.00 1.58 N ATOM 0 H LYS A 90 109.767 7.085 16.742 1.00 1.05 H new ATOM 0 HA LYS A 90 111.854 7.121 18.887 1.00 1.16 H new ATOM 0 HB2 LYS A 90 110.998 9.563 19.234 1.00 1.22 H new ATOM 0 HB3 LYS A 90 112.199 9.267 17.992 1.00 1.22 H new ATOM 0 HG2 LYS A 90 109.356 8.932 17.093 1.00 1.15 H new ATOM 0 HG3 LYS A 90 109.793 10.569 17.541 1.00 1.15 H new ATOM 0 HD2 LYS A 90 111.452 10.743 15.846 1.00 1.34 H new ATOM 0 HD3 LYS A 90 111.680 9.009 15.743 1.00 1.34 H new ATOM 0 HE2 LYS A 90 108.912 9.903 15.050 1.00 1.04 H new ATOM 0 HE3 LYS A 90 110.146 10.510 13.963 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 109.861 8.486 13.016 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 110.954 7.979 14.212 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 109.285 7.760 14.439 1.00 1.58 H new ATOM 1284 N PHE A 91 109.928 6.702 20.440 1.00 1.21 N ATOM 1285 CA PHE A 91 108.779 6.441 21.350 1.00 1.18 C ATOM 1286 C PHE A 91 108.537 7.697 22.173 1.00 1.22 C ATOM 1287 O PHE A 91 109.259 7.993 23.103 1.00 1.34 O ATOM 1288 CB PHE A 91 109.087 5.258 22.268 1.00 1.29 C ATOM 1289 CG PHE A 91 107.886 4.983 23.142 1.00 1.24 C ATOM 1290 CD1 PHE A 91 106.739 4.405 22.586 1.00 1.19 C ATOM 1291 CD2 PHE A 91 107.915 5.306 24.505 1.00 1.32 C ATOM 1292 CE1 PHE A 91 105.622 4.151 23.389 1.00 1.22 C ATOM 1293 CE2 PHE A 91 106.797 5.051 25.309 1.00 1.29 C ATOM 1294 CZ PHE A 91 105.650 4.473 24.750 1.00 1.24 C ATOM 0 H PHE A 91 110.833 6.375 20.779 1.00 1.21 H new ATOM 0 HA PHE A 91 107.890 6.193 20.771 1.00 1.18 H new ATOM 0 HB2 PHE A 91 109.330 4.376 21.676 1.00 1.29 H new ATOM 0 HB3 PHE A 91 109.958 5.478 22.885 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.716 4.155 21.536 1.00 1.19 H new ATOM 0 HD2 PHE A 91 108.800 5.752 24.936 1.00 1.32 H new ATOM 0 HE1 PHE A 91 104.737 3.706 22.958 1.00 1.22 H new ATOM 0 HE2 PHE A 91 106.819 5.300 26.360 1.00 1.29 H new ATOM 0 HZ PHE A 91 104.788 4.276 25.370 1.00 1.24 H new ATOM 1304 N ASN A 92 107.541 8.452 21.810 1.00 1.15 N ATOM 1305 CA ASN A 92 107.248 9.713 22.536 1.00 1.23 C ATOM 1306 C ASN A 92 108.366 10.720 22.247 1.00 1.32 C ATOM 1307 O ASN A 92 108.730 11.510 23.093 1.00 1.42 O ATOM 1308 CB ASN A 92 107.151 9.444 24.050 1.00 1.32 C ATOM 1309 CG ASN A 92 106.280 10.515 24.715 1.00 1.74 C ATOM 1310 OD1 ASN A 92 105.122 10.281 25.001 1.00 2.32 O ATOM 1311 ND2 ASN A 92 106.791 11.687 24.975 1.00 2.24 N ATOM 0 H ASN A 92 106.912 8.246 21.034 1.00 1.15 H new ATOM 0 HA ASN A 92 106.294 10.118 22.199 1.00 1.23 H new ATOM 0 HB2 ASN A 92 106.726 8.456 24.226 1.00 1.32 H new ATOM 0 HB3 ASN A 92 108.147 9.446 24.493 1.00 1.32 H new ATOM 0 HD21 ASN A 92 106.219 12.406 25.418 1.00 2.24 H new ATOM 0 HD22 ASN A 92 107.763 11.884 24.735 1.00 2.24 H new ATOM 1318 N ASP A 93 108.902 10.693 21.048 1.00 1.28 N ATOM 1319 CA ASP A 93 109.993 11.642 20.659 1.00 1.37 C ATOM 1320 C ASP A 93 111.351 11.189 21.202 1.00 1.45 C ATOM 1321 O ASP A 93 112.292 11.959 21.217 1.00 1.53 O ATOM 1322 CB ASP A 93 109.693 13.057 21.168 1.00 1.46 C ATOM 1323 CG ASP A 93 108.191 13.333 21.067 1.00 1.46 C ATOM 1324 OD1 ASP A 93 107.695 13.403 19.955 1.00 1.83 O ATOM 1325 OD2 ASP A 93 107.563 13.468 22.104 1.00 1.92 O ATOM 0 H ASP A 93 108.624 10.043 20.313 1.00 1.28 H new ATOM 0 HA ASP A 93 110.036 11.650 19.570 1.00 1.37 H new ATOM 0 HB2 ASP A 93 110.023 13.160 22.202 1.00 1.46 H new ATOM 0 HB3 ASP A 93 110.248 13.790 20.582 1.00 1.46 H new ATOM 1330 N GLU A 94 111.486 9.950 21.612 1.00 1.43 N ATOM 1331 CA GLU A 94 112.816 9.470 22.110 1.00 1.53 C ATOM 1332 C GLU A 94 113.465 8.668 20.981 1.00 1.52 C ATOM 1333 O GLU A 94 113.122 7.536 20.722 1.00 1.48 O ATOM 1334 CB GLU A 94 112.644 8.627 23.389 1.00 1.56 C ATOM 1335 CG GLU A 94 111.959 7.278 23.093 1.00 1.95 C ATOM 1336 CD GLU A 94 113.011 6.183 22.877 1.00 1.88 C ATOM 1337 OE1 GLU A 94 114.140 6.526 22.569 1.00 2.25 O ATOM 1338 OE2 GLU A 94 112.672 5.024 23.031 1.00 2.24 O ATOM 0 H GLU A 94 110.740 9.255 21.624 1.00 1.43 H new ATOM 0 HA GLU A 94 113.458 10.309 22.379 1.00 1.53 H new ATOM 0 HB2 GLU A 94 113.619 8.449 23.842 1.00 1.56 H new ATOM 0 HB3 GLU A 94 112.053 9.184 24.116 1.00 1.56 H new ATOM 0 HG2 GLU A 94 111.305 7.005 23.921 1.00 1.95 H new ATOM 0 HG3 GLU A 94 111.331 7.368 22.207 1.00 1.95 H new ATOM 1345 N HIS A 95 114.373 9.277 20.269 1.00 1.59 N ATOM 1346 CA HIS A 95 115.018 8.581 19.121 1.00 1.59 C ATOM 1347 C HIS A 95 116.011 7.531 19.617 1.00 1.71 C ATOM 1348 O HIS A 95 117.055 7.851 20.148 1.00 1.86 O ATOM 1349 CB HIS A 95 115.761 9.606 18.261 1.00 1.65 C ATOM 1350 CG HIS A 95 114.780 10.586 17.681 1.00 1.94 C ATOM 1351 ND1 HIS A 95 113.763 11.315 18.248 1.00 2.24 N flip ATOM 1352 CD2 HIS A 95 114.780 10.920 16.336 1.00 2.62 C flip ATOM 1353 CE1 HIS A 95 113.141 12.089 17.273 1.00 2.68 C flip ATOM 1354 NE2 HIS A 95 113.793 11.813 16.140 1.00 2.88 N flip ATOM 0 H HIS A 95 114.697 10.230 20.434 1.00 1.59 H new ATOM 0 HA HIS A 95 114.245 8.086 18.534 1.00 1.59 H new ATOM 0 HB2 HIS A 95 116.502 10.132 18.863 1.00 1.65 H new ATOM 0 HB3 HIS A 95 116.301 9.100 17.461 1.00 1.65 H new ATOM 0 HD2 HIS A 95 115.450 10.534 15.582 1.00 2.62 H new ATOM 0 HE1 HIS A 95 112.310 12.767 17.404 1.00 2.68 H new ATOM 0 HE2 HIS A 95 113.570 12.229 15.236 1.00 2.88 H new ATOM 1362 N ILE A 96 115.702 6.279 19.427 1.00 1.67 N ATOM 1363 CA ILE A 96 116.640 5.210 19.865 1.00 1.82 C ATOM 1364 C ILE A 96 117.938 5.359 19.035 1.00 1.88 C ATOM 1365 O ILE A 96 117.853 5.541 17.837 1.00 1.77 O ATOM 1366 CB ILE A 96 115.980 3.841 19.593 1.00 1.82 C ATOM 1367 CG1 ILE A 96 116.915 2.673 19.987 1.00 1.98 C ATOM 1368 CG2 ILE A 96 115.640 3.733 18.102 1.00 2.35 C ATOM 1369 CD1 ILE A 96 116.847 2.413 21.500 1.00 2.27 C ATOM 0 H ILE A 96 114.842 5.951 18.988 1.00 1.67 H new ATOM 0 HA ILE A 96 116.871 5.286 20.927 1.00 1.82 H new ATOM 0 HB ILE A 96 115.076 3.773 20.198 1.00 1.82 H new ATOM 0 HG12 ILE A 96 116.629 1.772 19.444 1.00 1.98 H new ATOM 0 HG13 ILE A 96 117.940 2.907 19.698 1.00 1.98 H new ATOM 0 HG21 ILE A 96 115.174 2.768 17.904 1.00 2.35 H new ATOM 0 HG22 ILE A 96 114.951 4.532 17.827 1.00 2.35 H new ATOM 0 HG23 ILE A 96 116.553 3.822 17.513 1.00 2.35 H new ATOM 0 HD11 ILE A 96 117.511 1.588 21.758 1.00 2.27 H new ATOM 0 HD12 ILE A 96 117.156 3.309 22.037 1.00 2.27 H new ATOM 0 HD13 ILE A 96 115.825 2.157 21.780 1.00 2.27 H new ATOM 1381 N PRO A 97 119.107 5.288 19.658 1.00 2.08 N ATOM 1382 CA PRO A 97 120.367 5.429 18.903 1.00 2.18 C ATOM 1383 C PRO A 97 120.347 4.503 17.678 1.00 2.06 C ATOM 1384 O PRO A 97 120.715 3.349 17.753 1.00 2.32 O ATOM 1385 CB PRO A 97 121.480 5.044 19.906 1.00 2.43 C ATOM 1386 CG PRO A 97 120.810 4.893 21.304 1.00 2.48 C ATOM 1387 CD PRO A 97 119.285 5.067 21.113 1.00 2.25 C ATOM 0 HA PRO A 97 120.524 6.436 18.518 1.00 2.18 H new ATOM 0 HB2 PRO A 97 121.961 4.113 19.608 1.00 2.43 H new ATOM 0 HB3 PRO A 97 122.256 5.809 19.932 1.00 2.43 H new ATOM 0 HG2 PRO A 97 121.033 3.916 21.732 1.00 2.48 H new ATOM 0 HG3 PRO A 97 121.197 5.640 21.997 1.00 2.48 H new ATOM 0 HD2 PRO A 97 118.741 4.184 21.448 1.00 2.25 H new ATOM 0 HD3 PRO A 97 118.908 5.911 21.690 1.00 2.25 H new ATOM 1395 N ASP A 98 119.910 5.012 16.557 1.00 2.10 N ATOM 1396 CA ASP A 98 119.846 4.184 15.318 1.00 1.98 C ATOM 1397 C ASP A 98 119.070 4.952 14.255 1.00 1.76 C ATOM 1398 O ASP A 98 119.530 5.132 13.145 1.00 1.73 O ATOM 1399 CB ASP A 98 119.134 2.840 15.625 1.00 1.95 C ATOM 1400 CG ASP A 98 120.165 1.716 15.806 1.00 2.28 C ATOM 1401 OD1 ASP A 98 121.000 1.559 14.931 1.00 2.65 O ATOM 1402 OD2 ASP A 98 120.099 1.036 16.817 1.00 2.64 O ATOM 0 H ASP A 98 119.592 5.975 16.446 1.00 2.10 H new ATOM 0 HA ASP A 98 120.853 3.974 14.958 1.00 1.98 H new ATOM 0 HB2 ASP A 98 118.532 2.938 16.528 1.00 1.95 H new ATOM 0 HB3 ASP A 98 118.452 2.589 14.813 1.00 1.95 H new ATOM 1407 N SER A 99 117.885 5.379 14.570 1.00 1.67 N ATOM 1408 CA SER A 99 117.070 6.099 13.560 1.00 1.48 C ATOM 1409 C SER A 99 117.865 7.302 13.017 1.00 1.62 C ATOM 1410 O SER A 99 118.459 8.016 13.801 1.00 1.87 O ATOM 1411 CB SER A 99 115.789 6.600 14.234 1.00 1.48 C ATOM 1412 OG SER A 99 114.862 5.527 14.336 1.00 2.00 O ATOM 0 H SER A 99 117.445 5.261 15.483 1.00 1.67 H new ATOM 0 HA SER A 99 116.824 5.430 12.735 1.00 1.48 H new ATOM 0 HB2 SER A 99 116.016 6.995 15.224 1.00 1.48 H new ATOM 0 HB3 SER A 99 115.356 7.417 13.656 1.00 1.48 H new ATOM 0 HG SER A 99 114.721 5.305 15.280 1.00 2.00 H new ATOM 1418 N PRO A 100 117.849 7.547 11.708 1.00 1.55 N ATOM 1419 CA PRO A 100 117.153 6.737 10.663 1.00 1.33 C ATOM 1420 C PRO A 100 118.083 5.607 10.149 1.00 1.33 C ATOM 1421 O PRO A 100 119.072 5.888 9.503 1.00 1.47 O ATOM 1422 CB PRO A 100 116.929 7.756 9.522 1.00 1.43 C ATOM 1423 CG PRO A 100 117.932 8.923 9.754 1.00 1.74 C ATOM 1424 CD PRO A 100 118.523 8.743 11.170 1.00 1.79 C ATOM 0 HA PRO A 100 116.240 6.268 11.030 1.00 1.33 H new ATOM 0 HB2 PRO A 100 117.096 7.291 8.551 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.902 8.122 9.528 1.00 1.43 H new ATOM 0 HG2 PRO A 100 118.722 8.907 9.003 1.00 1.74 H new ATOM 0 HG3 PRO A 100 117.429 9.886 9.667 1.00 1.74 H new ATOM 0 HD2 PRO A 100 119.604 8.606 11.133 1.00 1.79 H new ATOM 0 HD3 PRO A 100 118.334 9.618 11.792 1.00 1.79 H new ATOM 1432 N PHE A 101 117.791 4.340 10.382 1.00 1.25 N ATOM 1433 CA PHE A 101 118.714 3.284 9.824 1.00 1.36 C ATOM 1434 C PHE A 101 118.373 3.066 8.347 1.00 1.24 C ATOM 1435 O PHE A 101 117.266 3.309 7.910 1.00 1.16 O ATOM 1436 CB PHE A 101 118.609 1.930 10.583 1.00 1.55 C ATOM 1437 CG PHE A 101 117.348 1.863 11.402 1.00 1.46 C ATOM 1438 CD1 PHE A 101 117.187 2.745 12.454 1.00 1.50 C ATOM 1439 CD2 PHE A 101 116.361 0.911 11.126 1.00 1.78 C ATOM 1440 CE1 PHE A 101 116.042 2.698 13.249 1.00 1.83 C ATOM 1441 CE2 PHE A 101 115.209 0.857 11.917 1.00 2.18 C ATOM 1442 CZ PHE A 101 115.050 1.752 12.980 1.00 2.19 C ATOM 0 H PHE A 101 116.988 4.000 10.912 1.00 1.25 H new ATOM 0 HA PHE A 101 119.737 3.639 9.945 1.00 1.36 H new ATOM 0 HB2 PHE A 101 118.626 1.107 9.869 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.475 1.806 11.233 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.954 3.476 12.662 1.00 1.50 H new ATOM 0 HD2 PHE A 101 116.488 0.220 10.305 1.00 1.78 H new ATOM 0 HE1 PHE A 101 115.923 3.390 14.069 1.00 1.83 H new ATOM 0 HE2 PHE A 101 114.443 0.125 11.707 1.00 2.18 H new ATOM 0 HZ PHE A 101 114.161 1.712 13.592 1.00 2.19 H new ATOM 1452 N VAL A 102 119.322 2.601 7.580 1.00 1.28 N ATOM 1453 CA VAL A 102 119.065 2.355 6.133 1.00 1.21 C ATOM 1454 C VAL A 102 118.543 0.927 5.951 1.00 1.23 C ATOM 1455 O VAL A 102 118.948 0.015 6.645 1.00 1.34 O ATOM 1456 CB VAL A 102 120.368 2.535 5.350 1.00 1.31 C ATOM 1457 CG1 VAL A 102 121.405 1.522 5.840 1.00 1.44 C ATOM 1458 CG2 VAL A 102 120.103 2.316 3.859 1.00 1.29 C ATOM 0 H VAL A 102 120.267 2.380 7.895 1.00 1.28 H new ATOM 0 HA VAL A 102 118.322 3.062 5.762 1.00 1.21 H new ATOM 0 HB VAL A 102 120.747 3.545 5.506 1.00 1.31 H new ATOM 0 HG11 VAL A 102 122.332 1.651 5.282 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.595 1.681 6.901 1.00 1.44 H new ATOM 0 HG13 VAL A 102 121.027 0.511 5.686 1.00 1.44 H new ATOM 0 HG21 VAL A 102 121.031 2.444 3.302 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.722 1.307 3.702 1.00 1.29 H new ATOM 0 HG23 VAL A 102 119.367 3.040 3.510 1.00 1.29 H new ATOM 1468 N VAL A 103 117.645 0.734 5.020 1.00 1.15 N ATOM 1469 CA VAL A 103 117.071 -0.627 4.765 1.00 1.19 C ATOM 1470 C VAL A 103 117.210 -0.932 3.261 1.00 1.19 C ATOM 1471 O VAL A 103 116.305 -0.652 2.501 1.00 1.10 O ATOM 1472 CB VAL A 103 115.590 -0.616 5.158 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.926 -1.931 4.732 1.00 1.18 C ATOM 1474 CG2 VAL A 103 115.476 -0.457 6.677 1.00 1.14 C ATOM 0 H VAL A 103 117.278 1.470 4.416 1.00 1.15 H new ATOM 0 HA VAL A 103 117.593 -1.386 5.347 1.00 1.19 H new ATOM 0 HB VAL A 103 115.089 0.214 4.659 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.873 -1.915 5.015 1.00 1.18 H new ATOM 0 HG12 VAL A 103 115.010 -2.048 3.651 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.422 -2.766 5.226 1.00 1.18 H new ATOM 0 HG21 VAL A 103 114.425 -0.448 6.964 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.980 -1.289 7.169 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.943 0.480 6.981 1.00 1.14 H new ATOM 1484 N PRO A 104 118.353 -1.456 2.855 1.00 1.29 N ATOM 1485 CA PRO A 104 118.605 -1.742 1.430 1.00 1.30 C ATOM 1486 C PRO A 104 117.662 -2.830 0.889 1.00 1.33 C ATOM 1487 O PRO A 104 117.759 -3.991 1.240 1.00 1.44 O ATOM 1488 CB PRO A 104 120.085 -2.200 1.371 1.00 1.42 C ATOM 1489 CG PRO A 104 120.644 -2.164 2.823 1.00 1.49 C ATOM 1490 CD PRO A 104 119.473 -1.799 3.759 1.00 1.41 C ATOM 0 HA PRO A 104 118.420 -0.867 0.807 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.159 -3.205 0.957 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.664 -1.544 0.721 1.00 1.42 H new ATOM 0 HG2 PRO A 104 121.066 -3.131 3.096 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.446 -1.431 2.908 1.00 1.49 H new ATOM 0 HD2 PRO A 104 119.213 -2.634 4.410 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.731 -0.959 4.405 1.00 1.41 H new ATOM 1498 N VAL A 105 116.778 -2.457 0.001 1.00 1.25 N ATOM 1499 CA VAL A 105 115.854 -3.447 -0.621 1.00 1.29 C ATOM 1500 C VAL A 105 116.496 -3.850 -1.960 1.00 1.35 C ATOM 1501 O VAL A 105 117.145 -3.038 -2.596 1.00 1.31 O ATOM 1502 CB VAL A 105 114.484 -2.777 -0.815 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.555 -3.650 -1.672 1.00 1.26 C ATOM 1504 CG2 VAL A 105 113.836 -2.546 0.554 1.00 1.15 C ATOM 0 H VAL A 105 116.657 -1.497 -0.322 1.00 1.25 H new ATOM 0 HA VAL A 105 115.699 -4.335 -0.008 1.00 1.29 H new ATOM 0 HB VAL A 105 114.636 -1.828 -1.329 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.594 -3.150 -1.792 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.006 -3.809 -2.652 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.405 -4.612 -1.182 1.00 1.26 H new ATOM 0 HG21 VAL A 105 112.864 -2.071 0.421 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.706 -3.502 1.061 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.476 -1.900 1.155 1.00 1.15 H new ATOM 1514 N ALA A 106 116.376 -5.099 -2.369 1.00 1.46 N ATOM 1515 CA ALA A 106 117.048 -5.551 -3.642 1.00 1.53 C ATOM 1516 C ALA A 106 116.121 -6.434 -4.508 1.00 1.59 C ATOM 1517 O ALA A 106 115.467 -7.333 -4.036 1.00 1.66 O ATOM 1518 CB ALA A 106 118.301 -6.343 -3.247 1.00 1.67 C ATOM 0 H ALA A 106 115.846 -5.821 -1.881 1.00 1.46 H new ATOM 0 HA ALA A 106 117.301 -4.677 -4.242 1.00 1.53 H new ATOM 0 HB1 ALA A 106 118.813 -6.686 -4.146 1.00 1.67 H new ATOM 0 HB2 ALA A 106 118.969 -5.703 -2.671 1.00 1.67 H new ATOM 0 HB3 ALA A 106 118.012 -7.203 -2.643 1.00 1.67 H new ATOM 1524 N SER A 107 116.085 -6.181 -5.788 1.00 1.59 N ATOM 1525 CA SER A 107 115.239 -6.992 -6.709 1.00 1.67 C ATOM 1526 C SER A 107 116.084 -8.157 -7.195 1.00 1.81 C ATOM 1527 O SER A 107 116.599 -8.151 -8.293 1.00 1.83 O ATOM 1528 CB SER A 107 114.810 -6.145 -7.911 1.00 1.60 C ATOM 1529 OG SER A 107 113.797 -6.834 -8.632 1.00 2.04 O ATOM 0 H SER A 107 116.614 -5.436 -6.241 1.00 1.59 H new ATOM 0 HA SER A 107 114.345 -7.342 -6.193 1.00 1.67 H new ATOM 0 HB2 SER A 107 114.439 -5.177 -7.575 1.00 1.60 H new ATOM 0 HB3 SER A 107 115.665 -5.951 -8.558 1.00 1.60 H new ATOM 0 HG SER A 107 113.519 -6.295 -9.401 1.00 2.04 H new ATOM 1535 N LEU A 108 116.261 -9.128 -6.355 1.00 1.98 N ATOM 1536 CA LEU A 108 117.113 -10.300 -6.711 1.00 2.16 C ATOM 1537 C LEU A 108 118.550 -9.803 -6.860 1.00 2.13 C ATOM 1538 O LEU A 108 119.464 -10.557 -7.130 1.00 2.33 O ATOM 1539 CB LEU A 108 116.639 -10.953 -8.020 1.00 2.25 C ATOM 1540 CG LEU A 108 115.113 -11.104 -8.011 1.00 2.76 C ATOM 1541 CD1 LEU A 108 114.681 -11.952 -9.210 1.00 3.20 C ATOM 1542 CD2 LEU A 108 114.671 -11.796 -6.717 1.00 3.20 C ATOM 0 H LEU A 108 115.849 -9.166 -5.423 1.00 1.98 H new ATOM 0 HA LEU A 108 117.045 -11.056 -5.929 1.00 2.16 H new ATOM 0 HB2 LEU A 108 116.947 -10.345 -8.871 1.00 2.25 H new ATOM 0 HB3 LEU A 108 117.108 -11.930 -8.139 1.00 2.25 H new ATOM 0 HG LEU A 108 114.652 -10.118 -8.071 1.00 2.76 H new ATOM 0 HD11 LEU A 108 113.596 -12.061 -9.206 1.00 3.20 H new ATOM 0 HD12 LEU A 108 114.993 -11.463 -10.133 1.00 3.20 H new ATOM 0 HD13 LEU A 108 115.145 -12.936 -9.146 1.00 3.20 H new ATOM 0 HD21 LEU A 108 113.586 -11.902 -6.713 1.00 3.20 H new ATOM 0 HD22 LEU A 108 115.132 -12.782 -6.656 1.00 3.20 H new ATOM 0 HD23 LEU A 108 114.980 -11.197 -5.860 1.00 3.20 H new ATOM 1554 N SER A 109 118.747 -8.526 -6.661 1.00 1.93 N ATOM 1555 CA SER A 109 120.111 -7.941 -6.756 1.00 1.92 C ATOM 1556 C SER A 109 120.814 -8.119 -5.417 1.00 2.00 C ATOM 1557 O SER A 109 122.025 -8.083 -5.330 1.00 2.09 O ATOM 1558 CB SER A 109 120.003 -6.458 -7.091 1.00 1.77 C ATOM 1559 OG SER A 109 121.307 -5.949 -7.335 1.00 2.06 O ATOM 0 H SER A 109 118.010 -7.858 -6.434 1.00 1.93 H new ATOM 0 HA SER A 109 120.681 -8.442 -7.539 1.00 1.92 H new ATOM 0 HB2 SER A 109 119.371 -6.314 -7.967 1.00 1.77 H new ATOM 0 HB3 SER A 109 119.535 -5.918 -6.268 1.00 1.77 H new ATOM 0 HG SER A 109 121.405 -5.743 -8.288 1.00 2.06 H new ATOM 1565 N ASP A 110 120.060 -8.292 -4.365 1.00 1.99 N ATOM 1566 CA ASP A 110 120.681 -8.453 -3.023 1.00 2.10 C ATOM 1567 C ASP A 110 121.547 -7.225 -2.754 1.00 2.06 C ATOM 1568 O ASP A 110 122.266 -7.150 -1.778 1.00 2.19 O ATOM 1569 CB ASP A 110 121.543 -9.717 -3.000 1.00 2.32 C ATOM 1570 CG ASP A 110 120.776 -10.869 -3.652 1.00 2.37 C ATOM 1571 OD1 ASP A 110 119.964 -11.474 -2.971 1.00 2.85 O ATOM 1572 OD2 ASP A 110 121.014 -11.127 -4.820 1.00 2.61 O ATOM 0 H ASP A 110 119.041 -8.329 -4.379 1.00 1.99 H new ATOM 0 HA ASP A 110 119.912 -8.546 -2.256 1.00 2.10 H new ATOM 0 HB2 ASP A 110 122.478 -9.542 -3.531 1.00 2.32 H new ATOM 0 HB3 ASP A 110 121.803 -9.974 -1.973 1.00 2.32 H new ATOM 1577 N ASP A 111 121.466 -6.262 -3.630 1.00 1.92 N ATOM 1578 CA ASP A 111 122.259 -5.017 -3.475 1.00 1.92 C ATOM 1579 C ASP A 111 121.685 -3.949 -4.411 1.00 1.78 C ATOM 1580 O ASP A 111 121.691 -2.777 -4.093 1.00 1.80 O ATOM 1581 CB ASP A 111 123.723 -5.283 -3.843 1.00 2.09 C ATOM 1582 CG ASP A 111 124.421 -6.015 -2.696 1.00 1.97 C ATOM 1583 OD1 ASP A 111 124.469 -5.463 -1.609 1.00 2.46 O ATOM 1584 OD2 ASP A 111 124.896 -7.115 -2.924 1.00 2.24 O ATOM 0 H ASP A 111 120.873 -6.289 -4.459 1.00 1.92 H new ATOM 0 HA ASP A 111 122.209 -4.676 -2.441 1.00 1.92 H new ATOM 0 HB2 ASP A 111 123.776 -5.880 -4.753 1.00 2.09 H new ATOM 0 HB3 ASP A 111 124.232 -4.342 -4.049 1.00 2.09 H new ATOM 1589 N ALA A 112 121.180 -4.344 -5.562 1.00 1.71 N ATOM 1590 CA ALA A 112 120.600 -3.340 -6.511 1.00 1.63 C ATOM 1591 C ALA A 112 121.480 -2.085 -6.572 1.00 1.84 C ATOM 1592 O ALA A 112 121.228 -1.111 -5.890 1.00 2.08 O ATOM 1593 CB ALA A 112 119.204 -2.947 -6.030 1.00 1.53 C ATOM 0 H ALA A 112 121.146 -5.312 -5.881 1.00 1.71 H new ATOM 0 HA ALA A 112 120.548 -3.784 -7.505 1.00 1.63 H new ATOM 0 HB1 ALA A 112 118.775 -2.216 -6.716 1.00 1.53 H new ATOM 0 HB2 ALA A 112 118.568 -3.832 -5.998 1.00 1.53 H new ATOM 0 HB3 ALA A 112 119.272 -2.512 -5.033 1.00 1.53 H new ATOM 1599 N ARG A 113 122.505 -2.090 -7.382 1.00 2.07 N ATOM 1600 CA ARG A 113 123.376 -0.883 -7.470 1.00 2.38 C ATOM 1601 C ARG A 113 122.528 0.297 -7.967 1.00 2.26 C ATOM 1602 O ARG A 113 121.318 0.219 -8.041 1.00 2.13 O ATOM 1603 CB ARG A 113 124.546 -1.151 -8.453 1.00 2.71 C ATOM 1604 CG ARG A 113 125.826 -1.541 -7.694 1.00 3.42 C ATOM 1605 CD ARG A 113 125.672 -2.938 -7.092 1.00 4.01 C ATOM 1606 NE ARG A 113 126.993 -3.388 -6.565 1.00 4.89 N ATOM 1607 CZ ARG A 113 127.068 -4.429 -5.781 1.00 5.44 C ATOM 1608 NH1 ARG A 113 125.989 -5.093 -5.472 1.00 5.93 N ATOM 1609 NH2 ARG A 113 128.224 -4.809 -5.310 1.00 5.81 N ATOM 0 H ARG A 113 122.775 -2.870 -7.981 1.00 2.07 H new ATOM 0 HA ARG A 113 123.793 -0.650 -6.490 1.00 2.38 H new ATOM 0 HB2 ARG A 113 124.271 -1.949 -9.143 1.00 2.71 H new ATOM 0 HB3 ARG A 113 124.732 -0.261 -9.054 1.00 2.71 H new ATOM 0 HG2 ARG A 113 126.680 -1.520 -8.370 1.00 3.42 H new ATOM 0 HG3 ARG A 113 126.026 -0.816 -6.905 1.00 3.42 H new ATOM 0 HD2 ARG A 113 124.932 -2.924 -6.291 1.00 4.01 H new ATOM 0 HD3 ARG A 113 125.310 -3.636 -7.847 1.00 4.01 H new ATOM 0 HE ARG A 113 127.841 -2.880 -6.818 1.00 4.89 H new ATOM 0 HH11 ARG A 113 125.085 -4.799 -5.843 1.00 5.93 H new ATOM 0 HH12 ARG A 113 126.049 -5.906 -4.859 1.00 5.93 H new ATOM 0 HH21 ARG A 113 129.069 -4.293 -5.554 1.00 5.81 H new ATOM 0 HH22 ARG A 113 128.283 -5.622 -4.697 1.00 5.81 H new ATOM 1623 N ARG A 114 123.160 1.388 -8.307 1.00 2.56 N ATOM 1624 CA ARG A 114 122.409 2.581 -8.800 1.00 2.68 C ATOM 1625 C ARG A 114 123.278 3.314 -9.825 1.00 2.88 C ATOM 1626 O ARG A 114 122.924 4.361 -10.329 1.00 3.11 O ATOM 1627 CB ARG A 114 122.119 3.510 -7.620 1.00 3.13 C ATOM 1628 CG ARG A 114 121.221 4.672 -8.070 1.00 3.38 C ATOM 1629 CD ARG A 114 120.526 5.290 -6.854 1.00 3.88 C ATOM 1630 NE ARG A 114 119.872 6.567 -7.251 1.00 4.34 N ATOM 1631 CZ ARG A 114 118.973 7.110 -6.477 1.00 4.96 C ATOM 1632 NH1 ARG A 114 118.642 6.530 -5.355 1.00 5.24 N ATOM 1633 NH2 ARG A 114 118.404 8.231 -6.825 1.00 5.61 N ATOM 0 H ARG A 114 124.172 1.506 -8.264 1.00 2.56 H new ATOM 0 HA ARG A 114 121.470 2.275 -9.261 1.00 2.68 H new ATOM 0 HB2 ARG A 114 121.632 2.953 -6.820 1.00 3.13 H new ATOM 0 HB3 ARG A 114 123.053 3.898 -7.215 1.00 3.13 H new ATOM 0 HG2 ARG A 114 121.817 5.427 -8.583 1.00 3.38 H new ATOM 0 HG3 ARG A 114 120.478 4.315 -8.783 1.00 3.38 H new ATOM 0 HD2 ARG A 114 119.784 4.598 -6.455 1.00 3.88 H new ATOM 0 HD3 ARG A 114 121.251 5.472 -6.061 1.00 3.88 H new ATOM 0 HE ARG A 114 120.127 7.018 -8.130 1.00 4.34 H new ATOM 0 HH11 ARG A 114 119.086 5.653 -5.084 1.00 5.24 H new ATOM 0 HH12 ARG A 114 117.939 6.954 -4.750 1.00 5.24 H new ATOM 0 HH21 ARG A 114 118.662 8.683 -7.702 1.00 5.61 H new ATOM 0 HH22 ARG A 114 117.701 8.656 -6.220 1.00 5.61 H new ATOM 1647 N LEU A 115 124.417 2.752 -10.133 1.00 2.94 N ATOM 1648 CA LEU A 115 125.351 3.376 -11.130 1.00 3.30 C ATOM 1649 C LEU A 115 125.764 2.327 -12.169 1.00 3.36 C ATOM 1650 O LEU A 115 126.111 2.650 -13.288 1.00 3.66 O ATOM 1651 CB LEU A 115 126.598 3.893 -10.403 1.00 3.73 C ATOM 1652 CG LEU A 115 126.195 4.955 -9.338 1.00 3.89 C ATOM 1653 CD1 LEU A 115 126.300 4.366 -7.926 1.00 4.39 C ATOM 1654 CD2 LEU A 115 127.120 6.174 -9.437 1.00 4.19 C ATOM 0 H LEU A 115 124.749 1.874 -9.733 1.00 2.94 H new ATOM 0 HA LEU A 115 124.850 4.205 -11.630 1.00 3.30 H new ATOM 0 HB2 LEU A 115 127.118 3.064 -9.923 1.00 3.73 H new ATOM 0 HB3 LEU A 115 127.291 4.331 -11.121 1.00 3.73 H new ATOM 0 HG LEU A 115 125.165 5.255 -9.529 1.00 3.89 H new ATOM 0 HD11 LEU A 115 126.015 5.122 -7.194 1.00 4.39 H new ATOM 0 HD12 LEU A 115 125.634 3.508 -7.839 1.00 4.39 H new ATOM 0 HD13 LEU A 115 127.326 4.049 -7.739 1.00 4.39 H new ATOM 0 HD21 LEU A 115 126.831 6.912 -8.689 1.00 4.19 H new ATOM 0 HD22 LEU A 115 128.150 5.864 -9.262 1.00 4.19 H new ATOM 0 HD23 LEU A 115 127.037 6.614 -10.431 1.00 4.19 H new ATOM 1666 N THR A 116 125.704 1.071 -11.809 1.00 3.21 N ATOM 1667 CA THR A 116 126.061 -0.026 -12.761 1.00 3.48 C ATOM 1668 C THR A 116 124.761 -0.670 -13.201 1.00 3.22 C ATOM 1669 O THR A 116 124.221 -0.363 -14.245 1.00 3.40 O ATOM 1670 CB THR A 116 126.938 -1.064 -12.053 1.00 3.70 C ATOM 1671 OG1 THR A 116 128.169 -0.462 -11.676 1.00 3.92 O ATOM 1672 CG2 THR A 116 127.208 -2.236 -12.998 1.00 4.09 C ATOM 0 H THR A 116 125.419 0.754 -10.883 1.00 3.21 H new ATOM 0 HA THR A 116 126.615 0.364 -13.615 1.00 3.48 H new ATOM 0 HB THR A 116 126.425 -1.429 -11.164 1.00 3.70 H new ATOM 0 HG1 THR A 116 128.731 -1.124 -11.221 1.00 3.92 H new ATOM 0 HG21 THR A 116 127.832 -2.974 -12.494 1.00 4.09 H new ATOM 0 HG22 THR A 116 126.263 -2.696 -13.286 1.00 4.09 H new ATOM 0 HG23 THR A 116 127.722 -1.874 -13.889 1.00 4.09 H new ATOM 1680 N VAL A 117 124.219 -1.515 -12.380 1.00 2.90 N ATOM 1681 CA VAL A 117 122.913 -2.124 -12.716 1.00 2.76 C ATOM 1682 C VAL A 117 121.919 -0.971 -12.787 1.00 2.58 C ATOM 1683 O VAL A 117 120.783 -1.122 -13.186 1.00 2.69 O ATOM 1684 CB VAL A 117 122.510 -3.088 -11.604 1.00 2.47 C ATOM 1685 CG1 VAL A 117 121.048 -3.511 -11.782 1.00 2.42 C ATOM 1686 CG2 VAL A 117 123.409 -4.326 -11.653 1.00 2.90 C ATOM 0 H VAL A 117 124.624 -1.810 -11.491 1.00 2.90 H new ATOM 0 HA VAL A 117 122.948 -2.678 -13.654 1.00 2.76 H new ATOM 0 HB VAL A 117 122.623 -2.590 -10.641 1.00 2.47 H new ATOM 0 HG11 VAL A 117 120.769 -4.199 -10.984 1.00 2.42 H new ATOM 0 HG12 VAL A 117 120.407 -2.630 -11.743 1.00 2.42 H new ATOM 0 HG13 VAL A 117 120.927 -4.005 -12.746 1.00 2.42 H new ATOM 0 HG21 VAL A 117 123.122 -5.016 -10.859 1.00 2.90 H new ATOM 0 HG22 VAL A 117 123.298 -4.818 -12.619 1.00 2.90 H new ATOM 0 HG23 VAL A 117 124.448 -4.027 -11.516 1.00 2.90 H new ATOM 1696 N THR A 118 122.381 0.191 -12.386 1.00 2.52 N ATOM 1697 CA THR A 118 121.547 1.423 -12.389 1.00 2.61 C ATOM 1698 C THR A 118 120.104 1.099 -12.016 1.00 2.56 C ATOM 1699 O THR A 118 119.177 1.337 -12.765 1.00 2.90 O ATOM 1700 CB THR A 118 121.632 2.104 -13.759 1.00 3.07 C ATOM 1701 OG1 THR A 118 120.739 3.208 -13.793 1.00 3.29 O ATOM 1702 CG2 THR A 118 121.275 1.124 -14.882 1.00 3.36 C ATOM 0 H THR A 118 123.333 0.333 -12.047 1.00 2.52 H new ATOM 0 HA THR A 118 121.930 2.114 -11.638 1.00 2.61 H new ATOM 0 HB THR A 118 122.655 2.446 -13.912 1.00 3.07 H new ATOM 0 HG1 THR A 118 119.818 2.886 -13.705 1.00 3.29 H new ATOM 0 HG21 THR A 118 121.343 1.632 -15.844 1.00 3.36 H new ATOM 0 HG22 THR A 118 121.969 0.284 -14.866 1.00 3.36 H new ATOM 0 HG23 THR A 118 120.259 0.758 -14.736 1.00 3.36 H new ATOM 1710 N SER A 119 119.917 0.566 -10.841 1.00 2.30 N ATOM 1711 CA SER A 119 118.548 0.224 -10.372 1.00 2.48 C ATOM 1712 C SER A 119 118.061 -1.039 -11.086 1.00 2.56 C ATOM 1713 O SER A 119 117.954 -1.005 -12.301 1.00 2.75 O ATOM 1714 CB SER A 119 117.597 1.389 -10.670 1.00 3.01 C ATOM 1715 OG SER A 119 116.969 1.176 -11.929 1.00 3.39 O ATOM 1716 OXT SER A 119 117.804 -2.019 -10.406 1.00 2.94 O ATOM 0 H SER A 119 120.663 0.351 -10.180 1.00 2.30 H new ATOM 0 HA SER A 119 118.568 0.043 -9.297 1.00 2.48 H new ATOM 0 HB2 SER A 119 116.845 1.469 -9.885 1.00 3.01 H new ATOM 0 HB3 SER A 119 118.148 2.329 -10.681 1.00 3.01 H new ATOM 0 HG SER A 119 117.610 0.771 -12.550 1.00 3.39 H new TER 1722 SER A 119 ATOM 1723 N MET B 1 121.744 16.421 -7.316 1.00 6.36 N ATOM 1724 CA MET B 1 122.681 17.038 -8.297 1.00 6.04 C ATOM 1725 C MET B 1 122.191 18.445 -8.656 1.00 5.46 C ATOM 1726 O MET B 1 121.056 18.637 -9.040 1.00 5.64 O ATOM 1727 CB MET B 1 122.742 16.170 -9.559 1.00 6.48 C ATOM 1728 CG MET B 1 121.339 15.666 -9.905 1.00 6.99 C ATOM 1729 SD MET B 1 121.366 14.872 -11.532 1.00 7.68 S ATOM 1730 CE MET B 1 121.053 16.357 -12.519 1.00 8.49 C ATOM 0 H1 MET B 1 121.898 15.393 -7.288 1.00 6.36 H new ATOM 0 H2 MET B 1 121.916 16.822 -6.372 1.00 6.36 H new ATOM 0 H3 MET B 1 120.763 16.617 -7.602 1.00 6.36 H new ATOM 0 HA MET B 1 123.677 17.106 -7.859 1.00 6.04 H new ATOM 0 HB2 MET B 1 123.147 16.747 -10.390 1.00 6.48 H new ATOM 0 HB3 MET B 1 123.413 15.326 -9.400 1.00 6.48 H new ATOM 0 HG2 MET B 1 120.999 14.958 -9.149 1.00 6.99 H new ATOM 0 HG3 MET B 1 120.633 16.496 -9.906 1.00 6.99 H new ATOM 0 HE1 MET B 1 121.028 16.093 -13.576 1.00 8.49 H new ATOM 0 HE2 MET B 1 120.095 16.790 -12.231 1.00 8.49 H new ATOM 0 HE3 MET B 1 121.847 17.083 -12.345 1.00 8.49 H new ATOM 1742 N ALA B 2 123.044 19.427 -8.531 1.00 5.16 N ATOM 1743 CA ALA B 2 122.637 20.824 -8.862 1.00 4.97 C ATOM 1744 C ALA B 2 121.464 21.246 -7.972 1.00 4.52 C ATOM 1745 O ALA B 2 121.630 21.983 -7.021 1.00 4.69 O ATOM 1746 CB ALA B 2 122.226 20.905 -10.336 1.00 5.53 C ATOM 0 H ALA B 2 124.007 19.321 -8.213 1.00 5.16 H new ATOM 0 HA ALA B 2 123.478 21.495 -8.686 1.00 4.97 H new ATOM 0 HB1 ALA B 2 121.929 21.926 -10.575 1.00 5.53 H new ATOM 0 HB2 ALA B 2 123.068 20.615 -10.965 1.00 5.53 H new ATOM 0 HB3 ALA B 2 121.388 20.232 -10.518 1.00 5.53 H new ATOM 1752 N SER B 3 120.280 20.787 -8.271 1.00 4.40 N ATOM 1753 CA SER B 3 119.102 21.165 -7.441 1.00 4.40 C ATOM 1754 C SER B 3 119.159 20.422 -6.105 1.00 3.85 C ATOM 1755 O SER B 3 120.218 20.196 -5.554 1.00 3.91 O ATOM 1756 CB SER B 3 117.817 20.788 -8.179 1.00 5.06 C ATOM 1757 OG SER B 3 116.698 21.091 -7.357 1.00 5.43 O ATOM 0 H SER B 3 120.077 20.166 -9.055 1.00 4.40 H new ATOM 0 HA SER B 3 119.116 22.240 -7.260 1.00 4.40 H new ATOM 0 HB2 SER B 3 117.750 21.334 -9.120 1.00 5.06 H new ATOM 0 HB3 SER B 3 117.824 19.727 -8.427 1.00 5.06 H new ATOM 0 HG SER B 3 116.036 20.371 -7.427 1.00 5.43 H new ATOM 1763 N LYS B 4 118.027 20.042 -5.579 1.00 3.85 N ATOM 1764 CA LYS B 4 118.016 19.315 -4.278 1.00 3.83 C ATOM 1765 C LYS B 4 116.649 18.648 -4.071 1.00 3.53 C ATOM 1766 O LYS B 4 115.901 19.051 -3.203 1.00 3.55 O ATOM 1767 CB LYS B 4 118.268 20.309 -3.142 1.00 4.32 C ATOM 1768 CG LYS B 4 118.560 19.544 -1.851 1.00 4.99 C ATOM 1769 CD LYS B 4 118.697 20.531 -0.691 1.00 5.68 C ATOM 1770 CE LYS B 4 119.083 19.774 0.581 1.00 6.49 C ATOM 1771 NZ LYS B 4 119.473 20.748 1.639 1.00 6.87 N ATOM 0 H LYS B 4 117.109 20.203 -5.994 1.00 3.85 H new ATOM 0 HA LYS B 4 118.795 18.553 -4.283 1.00 3.83 H new ATOM 0 HB2 LYS B 4 119.108 20.957 -3.391 1.00 4.32 H new ATOM 0 HB3 LYS B 4 117.398 20.952 -3.007 1.00 4.32 H new ATOM 0 HG2 LYS B 4 117.757 18.836 -1.646 1.00 4.99 H new ATOM 0 HG3 LYS B 4 119.477 18.964 -1.959 1.00 4.99 H new ATOM 0 HD2 LYS B 4 119.453 21.280 -0.925 1.00 5.68 H new ATOM 0 HD3 LYS B 4 117.758 21.063 -0.539 1.00 5.68 H new ATOM 0 HE2 LYS B 4 118.246 19.165 0.923 1.00 6.49 H new ATOM 0 HE3 LYS B 4 119.909 19.094 0.376 1.00 6.49 H new ATOM 0 HZ1 LYS B 4 119.736 20.234 2.504 1.00 6.87 H new ATOM 0 HZ2 LYS B 4 120.284 21.311 1.311 1.00 6.87 H new ATOM 0 HZ3 LYS B 4 118.672 21.380 1.841 1.00 6.87 H new ATOM 1785 N PRO B 5 116.350 17.647 -4.874 1.00 3.77 N ATOM 1786 CA PRO B 5 115.062 16.935 -4.768 1.00 3.94 C ATOM 1787 C PRO B 5 114.939 16.284 -3.382 1.00 3.23 C ATOM 1788 O PRO B 5 115.886 16.235 -2.622 1.00 3.53 O ATOM 1789 CB PRO B 5 115.098 15.875 -5.896 1.00 4.81 C ATOM 1790 CG PRO B 5 116.449 16.043 -6.654 1.00 5.16 C ATOM 1791 CD PRO B 5 117.253 17.150 -5.935 1.00 4.43 C ATOM 0 HA PRO B 5 114.201 17.595 -4.875 1.00 3.94 H new ATOM 0 HB2 PRO B 5 115.014 14.871 -5.481 1.00 4.81 H new ATOM 0 HB3 PRO B 5 114.257 16.010 -6.576 1.00 4.81 H new ATOM 0 HG2 PRO B 5 117.006 15.106 -6.657 1.00 5.16 H new ATOM 0 HG3 PRO B 5 116.273 16.312 -7.695 1.00 5.16 H new ATOM 0 HD2 PRO B 5 118.178 16.756 -5.514 1.00 4.43 H new ATOM 0 HD3 PRO B 5 117.530 17.948 -6.624 1.00 4.43 H new ATOM 1799 N GLU B 6 113.779 15.789 -3.051 1.00 2.80 N ATOM 1800 CA GLU B 6 113.594 15.146 -1.720 1.00 2.51 C ATOM 1801 C GLU B 6 114.208 13.745 -1.738 1.00 1.85 C ATOM 1802 O GLU B 6 113.613 12.791 -1.277 1.00 2.47 O ATOM 1803 CB GLU B 6 112.099 15.043 -1.408 1.00 3.21 C ATOM 1804 CG GLU B 6 111.422 16.383 -1.702 1.00 4.08 C ATOM 1805 CD GLU B 6 109.931 16.287 -1.370 1.00 4.34 C ATOM 1806 OE1 GLU B 6 109.615 15.820 -0.288 1.00 4.78 O ATOM 1807 OE2 GLU B 6 109.132 16.682 -2.203 1.00 4.54 O ATOM 0 H GLU B 6 112.950 15.802 -3.645 1.00 2.80 H new ATOM 0 HA GLU B 6 114.086 15.747 -0.955 1.00 2.51 H new ATOM 0 HB2 GLU B 6 111.645 14.255 -2.009 1.00 3.21 H new ATOM 0 HB3 GLU B 6 111.953 14.771 -0.363 1.00 3.21 H new ATOM 0 HG2 GLU B 6 111.886 17.174 -1.113 1.00 4.08 H new ATOM 0 HG3 GLU B 6 111.555 16.647 -2.751 1.00 4.08 H new ATOM 1814 N LYS B 7 115.394 13.610 -2.268 1.00 1.12 N ATOM 1815 CA LYS B 7 116.040 12.267 -2.314 1.00 0.78 C ATOM 1816 C LYS B 7 115.046 11.244 -2.872 1.00 0.62 C ATOM 1817 O LYS B 7 114.628 11.330 -4.009 1.00 0.97 O ATOM 1818 CB LYS B 7 116.463 11.857 -0.901 1.00 1.25 C ATOM 1819 CG LYS B 7 117.571 12.789 -0.409 1.00 1.74 C ATOM 1820 CD LYS B 7 118.068 12.316 0.958 1.00 2.62 C ATOM 1821 CE LYS B 7 119.106 13.304 1.493 1.00 3.29 C ATOM 1822 NZ LYS B 7 120.327 13.251 0.640 1.00 4.09 N ATOM 0 H LYS B 7 115.942 14.370 -2.670 1.00 1.12 H new ATOM 0 HA LYS B 7 116.919 12.305 -2.957 1.00 0.78 H new ATOM 0 HB2 LYS B 7 115.608 11.903 -0.226 1.00 1.25 H new ATOM 0 HB3 LYS B 7 116.814 10.825 -0.900 1.00 1.25 H new ATOM 0 HG2 LYS B 7 118.395 12.800 -1.123 1.00 1.74 H new ATOM 0 HG3 LYS B 7 117.197 13.810 -0.338 1.00 1.74 H new ATOM 0 HD2 LYS B 7 117.232 12.238 1.654 1.00 2.62 H new ATOM 0 HD3 LYS B 7 118.506 11.322 0.873 1.00 2.62 H new ATOM 0 HE2 LYS B 7 118.695 14.314 1.496 1.00 3.29 H new ATOM 0 HE3 LYS B 7 119.359 13.059 2.525 1.00 3.29 H new ATOM 0 HZ1 LYS B 7 121.115 13.717 1.133 1.00 4.09 H new ATOM 0 HZ2 LYS B 7 120.575 12.259 0.451 1.00 4.09 H new ATOM 0 HZ3 LYS B 7 120.143 13.740 -0.260 1.00 4.09 H new ATOM 1836 N ARG B 8 114.656 10.280 -2.078 1.00 0.48 N ATOM 1837 CA ARG B 8 113.682 9.259 -2.560 1.00 0.50 C ATOM 1838 C ARG B 8 112.270 9.750 -2.242 1.00 0.48 C ATOM 1839 O ARG B 8 112.094 10.745 -1.567 1.00 0.96 O ATOM 1840 CB ARG B 8 113.921 7.917 -1.842 1.00 0.67 C ATOM 1841 CG ARG B 8 115.421 7.613 -1.722 1.00 0.80 C ATOM 1842 CD ARG B 8 115.959 7.215 -3.093 1.00 1.18 C ATOM 1843 NE ARG B 8 117.387 6.763 -2.979 1.00 1.76 N ATOM 1844 CZ ARG B 8 118.322 7.542 -2.501 1.00 2.26 C ATOM 1845 NH1 ARG B 8 118.077 8.798 -2.247 1.00 3.04 N ATOM 1846 NH2 ARG B 8 119.527 7.073 -2.324 1.00 2.64 N ATOM 0 H ARG B 8 114.971 10.157 -1.116 1.00 0.48 H new ATOM 0 HA ARG B 8 113.806 9.114 -3.633 1.00 0.50 H new ATOM 0 HB2 ARG B 8 113.473 7.948 -0.849 1.00 0.67 H new ATOM 0 HB3 ARG B 8 113.427 7.115 -2.390 1.00 0.67 H new ATOM 0 HG2 ARG B 8 115.954 8.487 -1.348 1.00 0.80 H new ATOM 0 HG3 ARG B 8 115.586 6.809 -1.005 1.00 0.80 H new ATOM 0 HD2 ARG B 8 115.349 6.415 -3.513 1.00 1.18 H new ATOM 0 HD3 ARG B 8 115.891 8.060 -3.778 1.00 1.18 H new ATOM 0 HE ARG B 8 117.634 5.821 -3.283 1.00 1.76 H new ATOM 0 HH11 ARG B 8 117.148 9.182 -2.421 1.00 3.04 H new ATOM 0 HH12 ARG B 8 118.814 9.396 -1.874 1.00 3.04 H new ATOM 0 HH21 ARG B 8 119.736 6.103 -2.558 1.00 2.64 H new ATOM 0 HH22 ARG B 8 120.260 7.677 -1.951 1.00 2.64 H new ATOM 1860 N VAL B 9 111.258 9.059 -2.692 1.00 0.42 N ATOM 1861 CA VAL B 9 109.880 9.510 -2.366 1.00 0.36 C ATOM 1862 C VAL B 9 109.776 9.558 -0.836 1.00 0.28 C ATOM 1863 O VAL B 9 110.592 8.985 -0.141 1.00 0.38 O ATOM 1864 CB VAL B 9 108.853 8.536 -2.982 1.00 0.45 C ATOM 1865 CG1 VAL B 9 107.529 8.584 -2.210 1.00 0.67 C ATOM 1866 CG2 VAL B 9 108.592 8.925 -4.441 1.00 0.66 C ATOM 0 H VAL B 9 111.325 8.216 -3.262 1.00 0.42 H new ATOM 0 HA VAL B 9 109.668 10.496 -2.780 1.00 0.36 H new ATOM 0 HB VAL B 9 109.259 7.526 -2.927 1.00 0.45 H new ATOM 0 HG11 VAL B 9 106.820 7.890 -2.661 1.00 0.67 H new ATOM 0 HG12 VAL B 9 107.703 8.302 -1.172 1.00 0.67 H new ATOM 0 HG13 VAL B 9 107.122 9.595 -2.248 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.867 8.238 -4.877 1.00 0.66 H new ATOM 0 HG22 VAL B 9 108.199 9.941 -4.482 1.00 0.66 H new ATOM 0 HG23 VAL B 9 109.524 8.874 -5.004 1.00 0.66 H new ATOM 1876 N ALA B 10 108.809 10.263 -0.307 1.00 0.27 N ATOM 1877 CA ALA B 10 108.681 10.384 1.187 1.00 0.35 C ATOM 1878 C ALA B 10 107.393 9.729 1.685 1.00 0.26 C ATOM 1879 O ALA B 10 106.384 9.712 1.008 1.00 0.40 O ATOM 1880 CB ALA B 10 108.655 11.867 1.562 1.00 0.58 C ATOM 0 H ALA B 10 108.099 10.763 -0.842 1.00 0.27 H new ATOM 0 HA ALA B 10 109.530 9.880 1.649 1.00 0.35 H new ATOM 0 HB1 ALA B 10 108.562 11.967 2.643 1.00 0.58 H new ATOM 0 HB2 ALA B 10 109.579 12.342 1.231 1.00 0.58 H new ATOM 0 HB3 ALA B 10 107.805 12.350 1.079 1.00 0.58 H new ATOM 1886 N SER B 11 107.427 9.198 2.882 1.00 0.23 N ATOM 1887 CA SER B 11 106.212 8.545 3.464 1.00 0.22 C ATOM 1888 C SER B 11 106.125 8.880 4.956 1.00 0.23 C ATOM 1889 O SER B 11 107.126 9.095 5.612 1.00 0.30 O ATOM 1890 CB SER B 11 106.314 7.029 3.291 1.00 0.36 C ATOM 1891 OG SER B 11 105.625 6.385 4.355 1.00 1.19 O ATOM 0 H SER B 11 108.249 9.188 3.485 1.00 0.23 H new ATOM 0 HA SER B 11 105.322 8.910 2.952 1.00 0.22 H new ATOM 0 HB2 SER B 11 105.886 6.732 2.333 1.00 0.36 H new ATOM 0 HB3 SER B 11 107.360 6.722 3.282 1.00 0.36 H new ATOM 0 HG SER B 11 105.688 5.413 4.245 1.00 1.19 H new ATOM 1897 N SER B 12 104.935 8.928 5.503 1.00 0.27 N ATOM 1898 CA SER B 12 104.791 9.254 6.955 1.00 0.35 C ATOM 1899 C SER B 12 103.562 8.548 7.537 1.00 0.31 C ATOM 1900 O SER B 12 102.480 8.596 6.987 1.00 0.41 O ATOM 1901 CB SER B 12 104.631 10.766 7.120 1.00 0.52 C ATOM 1902 OG SER B 12 103.300 11.136 6.785 1.00 1.38 O ATOM 0 H SER B 12 104.060 8.756 5.008 1.00 0.27 H new ATOM 0 HA SER B 12 105.680 8.914 7.486 1.00 0.35 H new ATOM 0 HB2 SER B 12 104.854 11.057 8.146 1.00 0.52 H new ATOM 0 HB3 SER B 12 105.339 11.291 6.478 1.00 0.52 H new ATOM 0 HG SER B 12 102.806 10.344 6.486 1.00 1.38 H new ATOM 1908 N VAL B 13 103.733 7.896 8.656 1.00 0.27 N ATOM 1909 CA VAL B 13 102.600 7.179 9.308 1.00 0.27 C ATOM 1910 C VAL B 13 103.076 6.659 10.662 1.00 0.32 C ATOM 1911 O VAL B 13 104.243 6.763 10.992 1.00 0.41 O ATOM 1912 CB VAL B 13 102.165 6.004 8.431 1.00 0.32 C ATOM 1913 CG1 VAL B 13 103.348 5.053 8.228 1.00 0.42 C ATOM 1914 CG2 VAL B 13 101.000 5.250 9.095 1.00 0.41 C ATOM 0 H VAL B 13 104.622 7.829 9.152 1.00 0.27 H new ATOM 0 HA VAL B 13 101.754 7.854 9.441 1.00 0.27 H new ATOM 0 HB VAL B 13 101.833 6.384 7.465 1.00 0.32 H new ATOM 0 HG11 VAL B 13 103.038 4.215 7.603 1.00 0.42 H new ATOM 0 HG12 VAL B 13 104.164 5.587 7.741 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.684 4.679 9.195 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.699 4.416 8.462 1.00 0.41 H new ATOM 0 HG22 VAL B 13 101.318 4.872 10.067 1.00 0.41 H new ATOM 0 HG23 VAL B 13 100.157 5.928 9.228 1.00 0.41 H new ATOM 1924 N PHE B 14 102.201 6.093 11.451 1.00 0.36 N ATOM 1925 CA PHE B 14 102.657 5.570 12.773 1.00 0.45 C ATOM 1926 C PHE B 14 101.484 5.093 13.645 1.00 0.34 C ATOM 1927 O PHE B 14 100.351 5.019 13.213 1.00 0.35 O ATOM 1928 CB PHE B 14 103.434 6.666 13.519 1.00 0.59 C ATOM 1929 CG PHE B 14 102.944 8.060 13.153 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.577 8.315 13.002 1.00 0.70 C ATOM 1931 CD2 PHE B 14 103.861 9.119 13.023 1.00 1.40 C ATOM 1932 CE1 PHE B 14 101.140 9.611 12.711 1.00 1.03 C ATOM 1933 CE2 PHE B 14 103.423 10.401 12.748 1.00 1.79 C ATOM 1934 CZ PHE B 14 102.061 10.656 12.586 1.00 1.54 C ATOM 0 H PHE B 14 101.210 5.971 11.244 1.00 0.36 H new ATOM 0 HA PHE B 14 103.299 4.710 12.582 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.331 6.516 14.594 1.00 0.59 H new ATOM 0 HB3 PHE B 14 104.495 6.581 13.285 1.00 0.59 H new ATOM 0 HD1 PHE B 14 100.861 7.513 13.110 1.00 0.70 H new ATOM 0 HD2 PHE B 14 104.918 8.928 13.139 1.00 1.40 H new ATOM 0 HE1 PHE B 14 100.086 9.806 12.582 1.00 1.03 H new ATOM 0 HE2 PHE B 14 104.137 11.207 12.658 1.00 1.79 H new ATOM 0 HZ PHE B 14 101.719 11.656 12.365 1.00 1.54 H new ATOM 1944 N ILE B 15 101.778 4.769 14.889 1.00 0.34 N ATOM 1945 CA ILE B 15 100.730 4.296 15.830 1.00 0.33 C ATOM 1946 C ILE B 15 101.042 4.836 17.235 1.00 0.31 C ATOM 1947 O ILE B 15 102.017 5.534 17.442 1.00 0.58 O ATOM 1948 CB ILE B 15 100.735 2.763 15.868 1.00 0.51 C ATOM 1949 CG1 ILE B 15 102.193 2.228 15.970 1.00 0.62 C ATOM 1950 CG2 ILE B 15 100.033 2.212 14.620 1.00 0.83 C ATOM 1951 CD1 ILE B 15 102.800 1.959 14.582 1.00 1.25 C ATOM 0 H ILE B 15 102.716 4.817 15.287 1.00 0.34 H new ATOM 0 HA ILE B 15 99.752 4.650 15.502 1.00 0.33 H new ATOM 0 HB ILE B 15 100.192 2.424 16.750 1.00 0.51 H new ATOM 0 HG12 ILE B 15 102.810 2.952 16.503 1.00 0.62 H new ATOM 0 HG13 ILE B 15 102.203 1.309 16.556 1.00 0.62 H new ATOM 0 HG21 ILE B 15 100.039 1.122 14.651 1.00 0.83 H new ATOM 0 HG22 ILE B 15 99.003 2.569 14.594 1.00 0.83 H new ATOM 0 HG23 ILE B 15 100.558 2.553 13.727 1.00 0.83 H new ATOM 0 HD11 ILE B 15 103.818 1.587 14.696 1.00 1.25 H new ATOM 0 HD12 ILE B 15 102.198 1.215 14.060 1.00 1.25 H new ATOM 0 HD13 ILE B 15 102.814 2.884 14.006 1.00 1.25 H new ATOM 1963 N THR B 16 100.224 4.508 18.206 1.00 0.35 N ATOM 1964 CA THR B 16 100.470 4.990 19.603 1.00 0.47 C ATOM 1965 C THR B 16 100.122 3.875 20.591 1.00 0.31 C ATOM 1966 O THR B 16 99.184 3.129 20.391 1.00 0.35 O ATOM 1967 CB THR B 16 99.594 6.214 19.883 1.00 0.75 C ATOM 1968 OG1 THR B 16 99.888 6.717 21.180 1.00 1.61 O ATOM 1969 CG2 THR B 16 98.119 5.816 19.810 1.00 1.40 C ATOM 0 H THR B 16 99.394 3.926 18.091 1.00 0.35 H new ATOM 0 HA THR B 16 101.519 5.263 19.716 1.00 0.47 H new ATOM 0 HB THR B 16 99.796 6.985 19.139 1.00 0.75 H new ATOM 0 HG1 THR B 16 100.750 6.362 21.481 1.00 1.61 H new ATOM 0 HG21 THR B 16 97.496 6.688 20.010 1.00 1.40 H new ATOM 0 HG22 THR B 16 97.895 5.430 18.815 1.00 1.40 H new ATOM 0 HG23 THR B 16 97.913 5.046 20.553 1.00 1.40 H new ATOM 1977 N LEU B 17 100.878 3.748 21.656 1.00 0.39 N ATOM 1978 CA LEU B 17 100.602 2.671 22.662 1.00 0.44 C ATOM 1979 C LEU B 17 99.889 3.260 23.881 1.00 0.31 C ATOM 1980 O LEU B 17 100.120 4.389 24.269 1.00 0.54 O ATOM 1981 CB LEU B 17 101.924 2.042 23.115 1.00 0.72 C ATOM 1982 CG LEU B 17 102.810 1.755 21.900 1.00 0.83 C ATOM 1983 CD1 LEU B 17 104.041 0.960 22.345 1.00 1.06 C ATOM 1984 CD2 LEU B 17 102.024 0.939 20.867 1.00 1.32 C ATOM 0 H LEU B 17 101.676 4.345 21.873 1.00 0.39 H new ATOM 0 HA LEU B 17 99.967 1.914 22.202 1.00 0.44 H new ATOM 0 HB2 LEU B 17 102.440 2.714 23.801 1.00 0.72 H new ATOM 0 HB3 LEU B 17 101.729 1.118 23.660 1.00 0.72 H new ATOM 0 HG LEU B 17 103.124 2.698 21.452 1.00 0.83 H new ATOM 0 HD11 LEU B 17 104.673 0.755 21.481 1.00 1.06 H new ATOM 0 HD12 LEU B 17 104.604 1.540 23.077 1.00 1.06 H new ATOM 0 HD13 LEU B 17 103.724 0.019 22.794 1.00 1.06 H new ATOM 0 HD21 LEU B 17 102.658 0.737 20.004 1.00 1.32 H new ATOM 0 HD22 LEU B 17 101.707 -0.004 21.313 1.00 1.32 H new ATOM 0 HD23 LEU B 17 101.147 1.503 20.549 1.00 1.32 H new ATOM 1996 N ALA B 18 99.031 2.489 24.495 1.00 0.52 N ATOM 1997 CA ALA B 18 98.298 2.973 25.701 1.00 0.66 C ATOM 1998 C ALA B 18 97.886 1.744 26.537 1.00 0.98 C ATOM 1999 O ALA B 18 97.717 0.676 25.983 1.00 1.45 O ATOM 2000 CB ALA B 18 97.049 3.745 25.254 1.00 0.88 C ATOM 0 H ALA B 18 98.805 1.536 24.210 1.00 0.52 H new ATOM 0 HA ALA B 18 98.928 3.634 26.297 1.00 0.66 H new ATOM 0 HB1 ALA B 18 96.508 4.102 26.131 1.00 0.88 H new ATOM 0 HB2 ALA B 18 97.347 4.595 24.641 1.00 0.88 H new ATOM 0 HB3 ALA B 18 96.403 3.087 24.673 1.00 0.88 H new ATOM 2006 N PRO B 19 97.732 1.902 27.839 1.00 0.94 N ATOM 2007 CA PRO B 19 97.340 0.768 28.698 1.00 1.27 C ATOM 2008 C PRO B 19 95.986 0.200 28.221 1.00 1.36 C ATOM 2009 O PRO B 19 95.295 0.843 27.456 1.00 1.39 O ATOM 2010 CB PRO B 19 97.231 1.365 30.122 1.00 1.43 C ATOM 2011 CG PRO B 19 97.485 2.896 30.005 1.00 1.50 C ATOM 2012 CD PRO B 19 97.927 3.183 28.553 1.00 1.03 C ATOM 0 HA PRO B 19 98.054 -0.055 28.668 1.00 1.27 H new ATOM 0 HB2 PRO B 19 96.246 1.171 30.545 1.00 1.43 H new ATOM 0 HB3 PRO B 19 97.961 0.905 30.788 1.00 1.43 H new ATOM 0 HG2 PRO B 19 96.581 3.454 30.248 1.00 1.50 H new ATOM 0 HG3 PRO B 19 98.254 3.212 30.710 1.00 1.50 H new ATOM 0 HD2 PRO B 19 97.330 3.979 28.108 1.00 1.03 H new ATOM 0 HD3 PRO B 19 98.968 3.504 28.512 1.00 1.03 H new ATOM 2020 N PRO B 20 95.637 -0.983 28.689 1.00 1.82 N ATOM 2021 CA PRO B 20 94.359 -1.617 28.308 1.00 2.19 C ATOM 2022 C PRO B 20 93.189 -0.755 28.807 1.00 2.03 C ATOM 2023 O PRO B 20 93.343 0.418 29.084 1.00 2.30 O ATOM 2024 CB PRO B 20 94.376 -2.996 29.011 1.00 2.76 C ATOM 2025 CG PRO B 20 95.618 -3.023 29.948 1.00 2.86 C ATOM 2026 CD PRO B 20 96.471 -1.777 29.619 1.00 2.30 C ATOM 0 HA PRO B 20 94.239 -1.720 27.230 1.00 2.19 H new ATOM 0 HB2 PRO B 20 93.460 -3.147 29.583 1.00 2.76 H new ATOM 0 HB3 PRO B 20 94.430 -3.800 28.278 1.00 2.76 H new ATOM 0 HG2 PRO B 20 95.310 -3.013 30.994 1.00 2.86 H new ATOM 0 HG3 PRO B 20 96.195 -3.935 29.795 1.00 2.86 H new ATOM 0 HD2 PRO B 20 96.708 -1.211 30.520 1.00 2.30 H new ATOM 0 HD3 PRO B 20 97.419 -2.057 29.160 1.00 2.30 H new ATOM 2034 N ARG B 21 92.027 -1.334 28.933 1.00 2.36 N ATOM 2035 CA ARG B 21 90.855 -0.558 29.424 1.00 2.57 C ATOM 2036 C ARG B 21 91.040 -0.265 30.914 1.00 2.31 C ATOM 2037 O ARG B 21 91.562 -1.075 31.653 1.00 2.48 O ATOM 2038 CB ARG B 21 89.580 -1.378 29.220 1.00 3.03 C ATOM 2039 CG ARG B 21 89.684 -2.686 30.008 1.00 3.84 C ATOM 2040 CD ARG B 21 88.589 -3.650 29.548 1.00 4.42 C ATOM 2041 NE ARG B 21 88.688 -4.919 30.323 1.00 4.90 N ATOM 2042 CZ ARG B 21 87.692 -5.763 30.325 1.00 5.50 C ATOM 2043 NH1 ARG B 21 86.611 -5.498 29.645 1.00 5.76 N ATOM 2044 NH2 ARG B 21 87.778 -6.872 31.007 1.00 6.12 N ATOM 0 H ARG B 21 91.839 -2.313 28.717 1.00 2.36 H new ATOM 0 HA ARG B 21 90.774 0.378 28.872 1.00 2.57 H new ATOM 0 HB2 ARG B 21 88.712 -0.809 29.552 1.00 3.03 H new ATOM 0 HB3 ARG B 21 89.436 -1.590 28.160 1.00 3.03 H new ATOM 0 HG2 ARG B 21 90.665 -3.136 29.858 1.00 3.84 H new ATOM 0 HG3 ARG B 21 89.584 -2.488 31.075 1.00 3.84 H new ATOM 0 HD2 ARG B 21 87.608 -3.198 29.693 1.00 4.42 H new ATOM 0 HD3 ARG B 21 88.692 -3.853 28.482 1.00 4.42 H new ATOM 0 HE ARG B 21 89.534 -5.128 30.852 1.00 4.90 H new ATOM 0 HH11 ARG B 21 86.544 -4.631 29.112 1.00 5.76 H new ATOM 0 HH12 ARG B 21 85.833 -6.158 29.647 1.00 5.76 H new ATOM 0 HH21 ARG B 21 88.623 -7.080 31.539 1.00 6.12 H new ATOM 0 HH22 ARG B 21 87.000 -7.531 31.009 1.00 6.12 H new ATOM 2058 N ARG B 22 90.620 0.886 31.363 1.00 2.49 N ATOM 2059 CA ARG B 22 90.780 1.220 32.806 1.00 2.63 C ATOM 2060 C ARG B 22 89.874 0.316 33.643 1.00 3.03 C ATOM 2061 O ARG B 22 88.666 0.449 33.626 1.00 3.54 O ATOM 2062 CB ARG B 22 90.401 2.685 33.041 1.00 3.15 C ATOM 2063 CG ARG B 22 91.329 3.594 32.227 1.00 3.73 C ATOM 2064 CD ARG B 22 91.265 5.020 32.779 1.00 4.34 C ATOM 2065 NE ARG B 22 91.992 5.079 34.079 1.00 4.97 N ATOM 2066 CZ ARG B 22 92.319 6.233 34.593 1.00 5.65 C ATOM 2067 NH1 ARG B 22 92.014 7.336 33.967 1.00 6.29 N ATOM 2068 NH2 ARG B 22 92.951 6.282 35.734 1.00 5.95 N ATOM 0 H ARG B 22 90.175 1.607 30.795 1.00 2.49 H new ATOM 0 HA ARG B 22 91.818 1.065 33.100 1.00 2.63 H new ATOM 0 HB2 ARG B 22 89.364 2.854 32.751 1.00 3.15 H new ATOM 0 HB3 ARG B 22 90.478 2.925 34.101 1.00 3.15 H new ATOM 0 HG2 ARG B 22 92.352 3.221 32.273 1.00 3.73 H new ATOM 0 HG3 ARG B 22 91.034 3.586 31.178 1.00 3.73 H new ATOM 0 HD2 ARG B 22 91.710 5.717 32.069 1.00 4.34 H new ATOM 0 HD3 ARG B 22 90.227 5.323 32.916 1.00 4.34 H new ATOM 0 HE ARG B 22 92.234 4.217 34.567 1.00 4.97 H new ATOM 0 HH11 ARG B 22 91.520 7.297 33.076 1.00 6.29 H new ATOM 0 HH12 ARG B 22 92.270 8.238 34.369 1.00 6.29 H new ATOM 0 HH21 ARG B 22 93.189 5.419 36.223 1.00 5.95 H new ATOM 0 HH22 ARG B 22 93.207 7.183 36.137 1.00 5.95 H new ATOM 2082 N ASP B 23 90.453 -0.603 34.376 1.00 3.45 N ATOM 2083 CA ASP B 23 89.645 -1.533 35.229 1.00 4.32 C ATOM 2084 C ASP B 23 90.129 -1.437 36.677 1.00 4.48 C ATOM 2085 O ASP B 23 89.355 -1.542 37.608 1.00 4.75 O ATOM 2086 CB ASP B 23 89.827 -2.967 34.729 1.00 5.13 C ATOM 2087 CG ASP B 23 88.983 -3.916 35.581 1.00 5.30 C ATOM 2088 OD1 ASP B 23 87.840 -3.581 35.849 1.00 5.62 O ATOM 2089 OD2 ASP B 23 89.493 -4.960 35.952 1.00 5.51 O ATOM 0 H ASP B 23 91.461 -0.751 34.421 1.00 3.45 H new ATOM 0 HA ASP B 23 88.592 -1.258 35.175 1.00 4.32 H new ATOM 0 HB2 ASP B 23 89.530 -3.039 33.683 1.00 5.13 H new ATOM 0 HB3 ASP B 23 90.878 -3.251 34.782 1.00 5.13 H new ATOM 2094 N VAL B 24 91.404 -1.236 36.873 1.00 4.81 N ATOM 2095 CA VAL B 24 91.941 -1.130 38.260 1.00 5.43 C ATOM 2096 C VAL B 24 91.602 -2.402 39.041 1.00 5.81 C ATOM 2097 O VAL B 24 92.167 -2.587 40.107 1.00 6.21 O ATOM 2098 CB VAL B 24 91.318 0.083 38.956 1.00 5.94 C ATOM 2099 CG1 VAL B 24 92.132 0.438 40.202 1.00 6.48 C ATOM 2100 CG2 VAL B 24 91.317 1.272 37.992 1.00 6.36 C ATOM 2101 OXT VAL B 24 90.785 -3.170 38.560 1.00 6.07 O ATOM 0 H VAL B 24 92.098 -1.140 36.131 1.00 4.81 H new ATOM 0 HA VAL B 24 93.024 -1.010 38.222 1.00 5.43 H new ATOM 0 HB VAL B 24 90.295 -0.153 39.250 1.00 5.94 H new ATOM 0 HG11 VAL B 24 91.685 1.302 40.694 1.00 6.48 H new ATOM 0 HG12 VAL B 24 92.135 -0.409 40.888 1.00 6.48 H new ATOM 0 HG13 VAL B 24 93.156 0.675 39.912 1.00 6.48 H new ATOM 0 HG21 VAL B 24 90.874 2.138 38.483 1.00 6.36 H new ATOM 0 HG22 VAL B 24 92.341 1.505 37.700 1.00 6.36 H new ATOM 0 HG23 VAL B 24 90.735 1.021 37.105 1.00 6.36 H new TER 2111 VAL B 24