USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 805 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 97 THR OG1 : rot -47:sc= 0.155 USER MOD Set 1.2: A 99 HIS : no HD1:sc= 0 X(o=0.16,f=0.13) USER MOD Set 2.1: A 6 CYS SG : rot 12:sc= 1.03 USER MOD Set 2.2: A 24 LYS NZ :NH3+ 147:sc= 0.224 (180deg=0) USER MOD Set 2.3: A 26 GLN : amide:sc= 0.259 K(o=1.5,f=0.35) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -175:sc= 1.13 (180deg=0.961) USER MOD Set 3.2: A 91 SER OG : rot 180:sc= 0.312 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 82:sc= 1 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc=-0.00536 K(o=-0.0054,f=-1) USER MOD Single : A 40 ASN : amide:sc= 0.585 K(o=0.58,f=-0.61) USER MOD Single : A 46 LYS NZ :NH3+ -124:sc= -2.16 (180deg=-3.54!) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000975) USER MOD Single : A 48 ASN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= 1.23 (180deg=0.832) USER MOD Single : A 59 GLN : amide:sc= -2.93! K(o=-2.9!,f=-1.8) USER MOD Single : A 62 SER OG : rot 80:sc= -0.292 USER MOD Single : A 72 ASN : amide:sc= 0.0839 K(o=0.084,f=-0.7) USER MOD Single : A 84 TYR OH : rot 30:sc= -1.87! USER MOD Single : A 85 GLN : amide:sc= -4.01! C(o=-4!,f=-3.7!) USER MOD Single : A 87 GLN : amide:sc= -4.31! K(o=-4.3!,f=-0.27) USER MOD Single : A 89 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.11) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.263 5.113 -2.124 1.00 5.35 N ATOM 2 CA SER A 1 16.291 3.717 -2.596 1.00 4.89 C ATOM 3 C SER A 1 16.119 2.756 -1.427 1.00 4.07 C ATOM 4 O SER A 1 16.709 2.951 -0.360 1.00 4.19 O ATOM 5 CB SER A 1 17.622 3.449 -3.306 1.00 5.38 C ATOM 6 OG SER A 1 17.670 2.141 -3.845 1.00 5.96 O ATOM 0 H1 SER A 1 16.382 5.755 -2.933 1.00 5.35 H new ATOM 0 H2 SER A 1 15.352 5.305 -1.660 1.00 5.35 H new ATOM 0 H3 SER A 1 17.036 5.265 -1.445 1.00 5.35 H new ATOM 0 HA SER A 1 15.468 3.559 -3.293 1.00 4.89 H new ATOM 0 HB2 SER A 1 17.763 4.178 -4.104 1.00 5.38 H new ATOM 0 HB3 SER A 1 18.444 3.584 -2.603 1.00 5.38 H new ATOM 0 HG SER A 1 17.204 2.125 -4.707 1.00 5.96 H new ATOM 14 N ALA A 2 15.300 1.729 -1.617 1.00 3.54 N ATOM 15 CA ALA A 2 15.135 0.697 -0.610 1.00 2.75 C ATOM 16 C ALA A 2 15.861 -0.563 -1.007 1.00 2.55 C ATOM 17 O ALA A 2 15.309 -1.412 -1.705 1.00 2.81 O ATOM 18 CB ALA A 2 13.673 0.369 -0.378 1.00 2.31 C ATOM 0 H ALA A 2 14.742 1.592 -2.459 1.00 3.54 H new ATOM 0 HA ALA A 2 15.559 1.089 0.314 1.00 2.75 H new ATOM 0 HB1 ALA A 2 13.591 -0.408 0.382 1.00 2.31 H new ATOM 0 HB2 ALA A 2 13.148 1.263 -0.042 1.00 2.31 H new ATOM 0 HB3 ALA A 2 13.228 0.015 -1.308 1.00 2.31 H new ATOM 24 N ALA A 3 17.099 -0.687 -0.588 1.00 2.36 N ATOM 25 CA ALA A 3 17.796 -1.925 -0.799 1.00 2.24 C ATOM 26 C ALA A 3 17.592 -2.847 0.407 1.00 1.58 C ATOM 27 O ALA A 3 16.778 -3.759 0.327 1.00 2.00 O ATOM 28 CB ALA A 3 19.266 -1.695 -1.146 1.00 2.41 C ATOM 0 H ALA A 3 17.631 0.040 -0.109 1.00 2.36 H new ATOM 0 HA ALA A 3 17.374 -2.430 -1.668 1.00 2.24 H new ATOM 0 HB1 ALA A 3 19.759 -2.655 -1.298 1.00 2.41 H new ATOM 0 HB2 ALA A 3 19.336 -1.103 -2.058 1.00 2.41 H new ATOM 0 HB3 ALA A 3 19.754 -1.162 -0.329 1.00 2.41 H new ATOM 34 N PRO A 4 18.252 -2.614 1.563 1.00 0.85 N ATOM 35 CA PRO A 4 18.254 -3.553 2.674 1.00 0.76 C ATOM 36 C PRO A 4 17.250 -3.220 3.777 1.00 0.79 C ATOM 37 O PRO A 4 17.200 -3.899 4.802 1.00 1.23 O ATOM 38 CB PRO A 4 19.666 -3.370 3.230 1.00 1.00 C ATOM 39 CG PRO A 4 20.231 -2.151 2.561 1.00 1.18 C ATOM 40 CD PRO A 4 19.068 -1.466 1.931 1.00 1.10 C ATOM 0 HA PRO A 4 17.983 -4.556 2.346 1.00 0.76 H new ATOM 0 HB2 PRO A 4 19.644 -3.244 4.312 1.00 1.00 H new ATOM 0 HB3 PRO A 4 20.281 -4.246 3.024 1.00 1.00 H new ATOM 0 HG2 PRO A 4 20.725 -1.501 3.283 1.00 1.18 H new ATOM 0 HG3 PRO A 4 20.977 -2.424 1.815 1.00 1.18 H new ATOM 0 HD2 PRO A 4 18.556 -0.798 2.623 1.00 1.10 H new ATOM 0 HD3 PRO A 4 19.357 -0.869 1.066 1.00 1.10 H new ATOM 48 N LEU A 5 16.471 -2.175 3.570 1.00 0.43 N ATOM 49 CA LEU A 5 15.573 -1.667 4.605 1.00 0.45 C ATOM 50 C LEU A 5 14.316 -2.525 4.716 1.00 0.37 C ATOM 51 O LEU A 5 14.182 -3.548 4.046 1.00 0.42 O ATOM 52 CB LEU A 5 15.203 -0.196 4.322 1.00 0.52 C ATOM 53 CG LEU A 5 14.499 0.078 2.987 1.00 0.60 C ATOM 54 CD1 LEU A 5 13.010 -0.185 3.086 1.00 1.28 C ATOM 55 CD2 LEU A 5 14.738 1.507 2.537 1.00 1.27 C ATOM 0 H LEU A 5 16.438 -1.656 2.693 1.00 0.43 H new ATOM 0 HA LEU A 5 16.097 -1.718 5.560 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.560 0.157 5.128 1.00 0.52 H new ATOM 0 HB3 LEU A 5 16.115 0.400 4.358 1.00 0.52 H new ATOM 0 HG LEU A 5 14.922 -0.603 2.249 1.00 0.60 H new ATOM 0 HD11 LEU A 5 12.540 0.018 2.124 1.00 1.28 H new ATOM 0 HD12 LEU A 5 12.842 -1.227 3.359 1.00 1.28 H new ATOM 0 HD13 LEU A 5 12.576 0.464 3.846 1.00 1.28 H new ATOM 0 HD21 LEU A 5 14.230 1.680 1.588 1.00 1.27 H new ATOM 0 HD22 LEU A 5 14.349 2.195 3.288 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.808 1.675 2.411 1.00 1.27 H new ATOM 67 N CYS A 6 13.401 -2.108 5.573 1.00 0.34 N ATOM 68 CA CYS A 6 12.117 -2.767 5.688 1.00 0.31 C ATOM 69 C CYS A 6 11.002 -1.730 5.681 1.00 0.24 C ATOM 70 O CYS A 6 11.053 -0.745 6.419 1.00 0.27 O ATOM 71 CB CYS A 6 12.058 -3.602 6.968 1.00 0.40 C ATOM 72 SG CYS A 6 10.574 -4.626 7.123 1.00 1.35 S ATOM 0 H CYS A 6 13.526 -1.313 6.200 1.00 0.34 H new ATOM 0 HA CYS A 6 11.986 -3.435 4.836 1.00 0.31 H new ATOM 0 HB2 CYS A 6 12.936 -4.247 7.008 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.115 -2.933 7.827 1.00 0.40 H new ATOM 0 HG CYS A 6 9.939 -4.644 5.989 1.00 1.35 H new ATOM 78 N VAL A 7 10.016 -1.934 4.820 1.00 0.24 N ATOM 79 CA VAL A 7 8.844 -1.069 4.790 1.00 0.25 C ATOM 80 C VAL A 7 7.632 -1.788 5.380 1.00 0.25 C ATOM 81 O VAL A 7 7.544 -3.019 5.343 1.00 0.31 O ATOM 82 CB VAL A 7 8.523 -0.597 3.353 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.670 0.219 2.788 1.00 0.64 C ATOM 84 CG2 VAL A 7 8.207 -1.775 2.446 1.00 0.61 C ATOM 0 H VAL A 7 10.003 -2.689 4.134 1.00 0.24 H new ATOM 0 HA VAL A 7 9.071 -0.191 5.395 1.00 0.25 H new ATOM 0 HB VAL A 7 7.638 0.038 3.400 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.424 0.541 1.776 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.839 1.094 3.416 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.573 -0.391 2.765 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.985 -1.412 1.442 1.00 0.61 H new ATOM 0 HG22 VAL A 7 9.065 -2.446 2.408 1.00 0.61 H new ATOM 0 HG23 VAL A 7 7.343 -2.313 2.836 1.00 0.61 H new ATOM 94 N LYS A 8 6.714 -1.020 5.948 1.00 0.26 N ATOM 95 CA LYS A 8 5.529 -1.580 6.578 1.00 0.28 C ATOM 96 C LYS A 8 4.274 -1.104 5.865 1.00 0.28 C ATOM 97 O LYS A 8 4.069 0.091 5.691 1.00 0.38 O ATOM 98 CB LYS A 8 5.455 -1.174 8.055 1.00 0.35 C ATOM 99 CG LYS A 8 4.257 -1.768 8.786 1.00 0.61 C ATOM 100 CD LYS A 8 4.129 -1.229 10.204 1.00 0.86 C ATOM 101 CE LYS A 8 3.690 0.228 10.225 1.00 1.08 C ATOM 102 NZ LYS A 8 2.303 0.402 9.709 1.00 1.61 N ATOM 0 H LYS A 8 6.768 -0.002 5.985 1.00 0.26 H new ATOM 0 HA LYS A 8 5.596 -2.666 6.509 1.00 0.28 H new ATOM 0 HB2 LYS A 8 6.370 -1.488 8.557 1.00 0.35 H new ATOM 0 HB3 LYS A 8 5.411 -0.087 8.124 1.00 0.35 H new ATOM 0 HG2 LYS A 8 3.346 -1.545 8.230 1.00 0.61 H new ATOM 0 HG3 LYS A 8 4.354 -2.853 8.818 1.00 0.61 H new ATOM 0 HD2 LYS A 8 3.409 -1.832 10.757 1.00 0.86 H new ATOM 0 HD3 LYS A 8 5.086 -1.326 10.716 1.00 0.86 H new ATOM 0 HE2 LYS A 8 3.748 0.609 11.245 1.00 1.08 H new ATOM 0 HE3 LYS A 8 4.378 0.822 9.623 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 2.075 1.416 9.661 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 2.231 -0.014 8.759 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 1.633 -0.074 10.347 1.00 1.61 H new ATOM 116 N VAL A 9 3.433 -2.039 5.472 1.00 0.25 N ATOM 117 CA VAL A 9 2.172 -1.713 4.833 1.00 0.26 C ATOM 118 C VAL A 9 1.031 -2.003 5.801 1.00 0.23 C ATOM 119 O VAL A 9 1.064 -3.002 6.510 1.00 0.27 O ATOM 120 CB VAL A 9 1.981 -2.526 3.535 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.664 -2.164 2.874 1.00 0.89 C ATOM 122 CG2 VAL A 9 3.147 -2.302 2.581 1.00 0.77 C ATOM 0 H VAL A 9 3.601 -3.039 5.585 1.00 0.25 H new ATOM 0 HA VAL A 9 2.176 -0.655 4.570 1.00 0.26 H new ATOM 0 HB VAL A 9 1.956 -3.585 3.792 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.544 -2.746 1.960 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.158 -2.385 3.555 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.659 -1.101 2.631 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.991 -2.885 1.673 1.00 0.77 H new ATOM 0 HG22 VAL A 9 3.211 -1.244 2.327 1.00 0.77 H new ATOM 0 HG23 VAL A 9 4.074 -2.617 3.060 1.00 0.77 H new ATOM 132 N GLU A 10 0.054 -1.114 5.880 1.00 0.21 N ATOM 133 CA GLU A 10 -1.044 -1.297 6.816 1.00 0.23 C ATOM 134 C GLU A 10 -2.353 -0.750 6.246 1.00 0.25 C ATOM 135 O GLU A 10 -2.349 0.085 5.339 1.00 0.26 O ATOM 136 CB GLU A 10 -0.693 -0.609 8.140 1.00 0.28 C ATOM 137 CG GLU A 10 -1.537 -1.042 9.325 1.00 0.37 C ATOM 138 CD GLU A 10 -0.955 -0.564 10.640 1.00 0.48 C ATOM 139 OE1 GLU A 10 0.227 -0.861 10.922 1.00 0.99 O ATOM 140 OE2 GLU A 10 -1.682 0.116 11.399 1.00 1.08 O ATOM 0 H GLU A 10 -0.002 -0.267 5.314 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.190 -2.363 6.990 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.355 -0.804 8.368 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.797 0.468 8.012 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.548 -0.651 9.212 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -1.615 -2.129 9.337 1.00 0.37 H new ATOM 147 N PHE A 11 -3.469 -1.231 6.779 1.00 0.30 N ATOM 148 CA PHE A 11 -4.786 -0.751 6.388 1.00 0.34 C ATOM 149 C PHE A 11 -5.438 -0.022 7.553 1.00 0.34 C ATOM 150 O PHE A 11 -5.465 -0.526 8.675 1.00 0.74 O ATOM 151 CB PHE A 11 -5.656 -1.911 5.905 1.00 0.74 C ATOM 152 CG PHE A 11 -5.091 -2.567 4.683 1.00 2.12 C ATOM 153 CD1 PHE A 11 -5.098 -1.905 3.468 1.00 2.89 C ATOM 154 CD2 PHE A 11 -4.532 -3.829 4.751 1.00 2.77 C ATOM 155 CE1 PHE A 11 -4.557 -2.491 2.344 1.00 4.21 C ATOM 156 CE2 PHE A 11 -3.992 -4.422 3.630 1.00 4.09 C ATOM 157 CZ PHE A 11 -4.004 -3.750 2.427 1.00 4.80 C ATOM 0 H PHE A 11 -3.486 -1.961 7.491 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.679 -0.049 5.561 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -5.750 -2.649 6.702 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -6.660 -1.545 5.689 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.532 -0.918 3.400 1.00 2.89 H new ATOM 0 HD2 PHE A 11 -4.518 -4.357 5.693 1.00 2.77 H new ATOM 0 HE1 PHE A 11 -4.567 -1.965 1.401 1.00 4.21 H new ATOM 0 HE2 PHE A 11 -3.561 -5.410 3.694 1.00 4.09 H new ATOM 0 HZ PHE A 11 -3.579 -4.211 1.548 1.00 4.80 H new ATOM 167 N GLY A 12 -5.951 1.170 7.279 1.00 0.23 N ATOM 168 CA GLY A 12 -6.366 2.053 8.345 1.00 0.39 C ATOM 169 C GLY A 12 -7.826 2.458 8.264 1.00 0.28 C ATOM 170 O GLY A 12 -8.544 2.411 9.259 1.00 0.34 O ATOM 0 H GLY A 12 -6.086 1.539 6.338 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.186 1.563 9.302 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -5.747 2.950 8.324 1.00 0.39 H new ATOM 174 N GLY A 13 -8.267 2.849 7.070 1.00 0.24 N ATOM 175 CA GLY A 13 -9.619 3.373 6.898 1.00 0.26 C ATOM 176 C GLY A 13 -10.672 2.291 6.807 1.00 0.29 C ATOM 177 O GLY A 13 -11.570 2.374 5.977 1.00 0.45 O ATOM 0 H GLY A 13 -7.713 2.813 6.214 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -9.855 4.031 7.734 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.653 3.981 5.994 1.00 0.26 H new ATOM 181 N GLY A 14 -10.569 1.277 7.653 1.00 0.28 N ATOM 182 CA GLY A 14 -11.477 0.151 7.566 1.00 0.35 C ATOM 183 C GLY A 14 -11.237 -0.647 6.302 1.00 0.36 C ATOM 184 O GLY A 14 -12.073 -1.445 5.886 1.00 0.41 O ATOM 0 H GLY A 14 -9.874 1.213 8.397 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.347 -0.493 8.436 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.507 0.508 7.584 1.00 0.35 H new ATOM 188 N ALA A 15 -10.070 -0.434 5.701 1.00 0.35 N ATOM 189 CA ALA A 15 -9.721 -1.070 4.440 1.00 0.39 C ATOM 190 C ALA A 15 -9.593 -2.577 4.620 1.00 0.39 C ATOM 191 O ALA A 15 -9.765 -3.341 3.680 1.00 0.42 O ATOM 192 CB ALA A 15 -8.433 -0.467 3.896 1.00 0.44 C ATOM 0 H ALA A 15 -9.346 0.180 6.073 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.516 -0.890 3.717 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -8.177 -0.947 2.952 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.572 0.602 3.734 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.627 -0.623 4.613 1.00 0.44 H new ATOM 198 N GLU A 16 -9.325 -2.984 5.852 1.00 0.38 N ATOM 199 CA GLU A 16 -9.210 -4.394 6.213 1.00 0.38 C ATOM 200 C GLU A 16 -10.507 -5.147 5.943 1.00 0.36 C ATOM 201 O GLU A 16 -10.488 -6.351 5.677 1.00 0.37 O ATOM 202 CB GLU A 16 -8.854 -4.508 7.695 1.00 0.45 C ATOM 203 CG GLU A 16 -9.914 -3.871 8.586 1.00 0.57 C ATOM 204 CD GLU A 16 -9.616 -3.968 10.061 1.00 1.19 C ATOM 205 OE1 GLU A 16 -9.506 -5.094 10.581 1.00 1.54 O ATOM 206 OE2 GLU A 16 -9.518 -2.906 10.709 1.00 1.60 O ATOM 0 H GLU A 16 -9.180 -2.345 6.634 1.00 0.38 H new ATOM 0 HA GLU A 16 -8.427 -4.840 5.600 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.740 -5.559 7.961 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.892 -4.028 7.875 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -10.018 -2.820 8.315 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.874 -4.347 8.388 1.00 0.57 H new ATOM 213 N LEU A 17 -11.629 -4.436 6.010 1.00 0.35 N ATOM 214 CA LEU A 17 -12.936 -5.043 5.793 1.00 0.37 C ATOM 215 C LEU A 17 -13.077 -5.495 4.342 1.00 0.36 C ATOM 216 O LEU A 17 -13.971 -6.271 4.010 1.00 0.41 O ATOM 217 CB LEU A 17 -14.049 -4.054 6.145 1.00 0.39 C ATOM 218 CG LEU A 17 -13.990 -3.485 7.565 1.00 0.41 C ATOM 219 CD1 LEU A 17 -15.137 -2.513 7.800 1.00 0.88 C ATOM 220 CD2 LEU A 17 -14.016 -4.603 8.595 1.00 0.83 C ATOM 0 H LEU A 17 -11.658 -3.437 6.213 1.00 0.35 H new ATOM 0 HA LEU A 17 -13.023 -5.914 6.442 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -14.015 -3.226 5.437 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -15.010 -4.550 6.009 1.00 0.39 H new ATOM 0 HG LEU A 17 -13.051 -2.942 7.676 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -15.078 -2.119 8.815 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -15.069 -1.691 7.087 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -16.086 -3.032 7.667 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.973 -4.176 9.597 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.935 -5.178 8.485 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -13.158 -5.258 8.443 1.00 0.83 H new ATOM 232 N LEU A 18 -12.178 -5.003 3.496 1.00 0.35 N ATOM 233 CA LEU A 18 -12.150 -5.373 2.090 1.00 0.39 C ATOM 234 C LEU A 18 -11.486 -6.727 1.925 1.00 0.42 C ATOM 235 O LEU A 18 -11.692 -7.432 0.936 1.00 0.49 O ATOM 236 CB LEU A 18 -11.387 -4.316 1.289 1.00 0.38 C ATOM 237 CG LEU A 18 -12.048 -2.937 1.241 1.00 0.42 C ATOM 238 CD1 LEU A 18 -11.068 -1.889 0.745 1.00 0.47 C ATOM 239 CD2 LEU A 18 -13.277 -2.971 0.346 1.00 0.49 C ATOM 0 H LEU A 18 -11.452 -4.339 3.766 1.00 0.35 H new ATOM 0 HA LEU A 18 -13.172 -5.432 1.717 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -10.390 -4.209 1.715 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -11.260 -4.677 0.268 1.00 0.38 H new ATOM 0 HG LEU A 18 -12.356 -2.670 2.252 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.558 -0.916 0.719 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -10.211 -1.845 1.417 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -10.730 -2.152 -0.257 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -13.737 -1.983 0.322 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -12.984 -3.260 -0.663 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.992 -3.694 0.737 1.00 0.49 H new ATOM 251 N PHE A 19 -10.684 -7.090 2.902 1.00 0.39 N ATOM 252 CA PHE A 19 -9.989 -8.354 2.862 1.00 0.47 C ATOM 253 C PHE A 19 -10.677 -9.345 3.783 1.00 0.60 C ATOM 254 O PHE A 19 -11.619 -10.030 3.386 1.00 0.97 O ATOM 255 CB PHE A 19 -8.529 -8.149 3.265 1.00 0.45 C ATOM 256 CG PHE A 19 -7.890 -7.008 2.530 1.00 0.43 C ATOM 257 CD1 PHE A 19 -8.014 -5.718 2.995 1.00 0.71 C ATOM 258 CD2 PHE A 19 -7.147 -7.232 1.384 1.00 0.42 C ATOM 259 CE1 PHE A 19 -7.416 -4.670 2.335 1.00 0.75 C ATOM 260 CE2 PHE A 19 -6.543 -6.188 0.720 1.00 0.52 C ATOM 261 CZ PHE A 19 -6.747 -4.896 1.148 1.00 0.59 C ATOM 0 H PHE A 19 -10.498 -6.527 3.732 1.00 0.39 H new ATOM 0 HA PHE A 19 -10.012 -8.757 1.849 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -8.473 -7.964 4.338 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -7.969 -9.063 3.070 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -8.588 -5.527 3.889 1.00 0.71 H new ATOM 0 HD2 PHE A 19 -7.040 -8.238 1.006 1.00 0.42 H new ATOM 0 HE1 PHE A 19 -7.469 -3.672 2.744 1.00 0.75 H new ATOM 0 HE2 PHE A 19 -5.911 -6.382 -0.134 1.00 0.52 H new ATOM 0 HZ PHE A 19 -6.387 -4.065 0.560 1.00 0.59 H new ATOM 271 N ASP A 20 -10.226 -9.378 5.017 1.00 0.55 N ATOM 272 CA ASP A 20 -10.777 -10.273 6.026 1.00 0.69 C ATOM 273 C ASP A 20 -10.424 -9.784 7.426 1.00 0.72 C ATOM 274 O ASP A 20 -10.485 -10.540 8.397 1.00 1.07 O ATOM 275 CB ASP A 20 -10.244 -11.693 5.827 1.00 0.80 C ATOM 276 CG ASP A 20 -8.742 -11.782 5.974 1.00 1.16 C ATOM 277 OD1 ASP A 20 -8.028 -11.295 5.079 1.00 1.55 O ATOM 278 OD2 ASP A 20 -8.270 -12.356 6.975 1.00 1.28 O ATOM 0 H ASP A 20 -9.467 -8.787 5.356 1.00 0.55 H new ATOM 0 HA ASP A 20 -11.862 -10.281 5.918 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -10.715 -12.358 6.551 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -10.529 -12.047 4.836 1.00 0.80 H new ATOM 283 N GLY A 21 -10.075 -8.509 7.528 1.00 0.57 N ATOM 284 CA GLY A 21 -9.685 -7.953 8.808 1.00 0.59 C ATOM 285 C GLY A 21 -8.179 -7.854 8.964 1.00 0.59 C ATOM 286 O GLY A 21 -7.676 -7.524 10.037 1.00 0.79 O ATOM 0 H GLY A 21 -10.055 -7.851 6.749 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -10.124 -6.962 8.919 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -10.090 -8.573 9.608 1.00 0.59 H new ATOM 290 N VAL A 22 -7.456 -8.160 7.898 1.00 0.51 N ATOM 291 CA VAL A 22 -6.011 -8.005 7.893 1.00 0.53 C ATOM 292 C VAL A 22 -5.649 -6.559 7.587 1.00 0.45 C ATOM 293 O VAL A 22 -6.080 -6.009 6.573 1.00 0.47 O ATOM 294 CB VAL A 22 -5.339 -8.928 6.857 1.00 0.68 C ATOM 295 CG1 VAL A 22 -3.825 -8.769 6.888 1.00 1.02 C ATOM 296 CG2 VAL A 22 -5.729 -10.377 7.098 1.00 1.41 C ATOM 0 H VAL A 22 -7.847 -8.517 7.026 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.647 -8.283 8.882 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.690 -8.637 5.867 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -3.374 -9.431 6.148 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -3.563 -7.736 6.659 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -3.452 -9.026 7.880 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -5.245 -11.012 6.357 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -5.412 -10.678 8.096 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -6.811 -10.481 7.014 1.00 1.41 H new ATOM 306 N LYS A 23 -4.883 -5.940 8.472 1.00 0.48 N ATOM 307 CA LYS A 23 -4.474 -4.559 8.270 1.00 0.52 C ATOM 308 C LYS A 23 -2.969 -4.482 8.037 1.00 0.40 C ATOM 309 O LYS A 23 -2.504 -4.171 6.945 1.00 0.37 O ATOM 310 CB LYS A 23 -4.816 -3.685 9.478 1.00 0.75 C ATOM 311 CG LYS A 23 -6.046 -4.119 10.255 1.00 0.85 C ATOM 312 CD LYS A 23 -6.456 -3.063 11.270 1.00 1.06 C ATOM 313 CE LYS A 23 -5.274 -2.552 12.083 1.00 1.11 C ATOM 314 NZ LYS A 23 -4.653 -3.612 12.924 1.00 2.07 N ATOM 0 H LYS A 23 -4.535 -6.368 9.330 1.00 0.48 H new ATOM 0 HA LYS A 23 -5.016 -4.191 7.399 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -3.962 -3.676 10.155 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -4.963 -2.660 9.136 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.869 -4.303 9.565 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -5.843 -5.060 10.767 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.926 -2.227 10.752 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -7.204 -3.481 11.944 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.523 -2.144 11.407 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -5.605 -1.734 12.723 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -3.855 -3.210 13.456 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -5.359 -3.985 13.590 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -4.311 -4.382 12.315 1.00 2.07 H new ATOM 328 N LYS A 24 -2.220 -4.760 9.092 1.00 0.38 N ATOM 329 CA LYS A 24 -0.770 -4.658 9.068 1.00 0.33 C ATOM 330 C LYS A 24 -0.139 -5.814 8.302 1.00 0.34 C ATOM 331 O LYS A 24 -0.373 -6.988 8.599 1.00 0.47 O ATOM 332 CB LYS A 24 -0.236 -4.615 10.501 1.00 0.43 C ATOM 333 CG LYS A 24 1.271 -4.455 10.606 1.00 0.49 C ATOM 334 CD LYS A 24 1.705 -4.372 12.060 1.00 0.66 C ATOM 335 CE LYS A 24 3.195 -4.112 12.188 1.00 1.04 C ATOM 336 NZ LYS A 24 4.019 -5.295 11.815 1.00 1.59 N ATOM 0 H LYS A 24 -2.600 -5.063 9.989 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.501 -3.737 8.550 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.714 -3.790 11.029 1.00 0.43 H new ATOM 0 HB3 LYS A 24 -0.528 -5.532 11.012 1.00 0.43 H new ATOM 0 HG2 LYS A 24 1.765 -5.297 10.122 1.00 0.49 H new ATOM 0 HG3 LYS A 24 1.583 -3.555 10.077 1.00 0.49 H new ATOM 0 HD2 LYS A 24 1.153 -3.576 12.560 1.00 0.66 H new ATOM 0 HD3 LYS A 24 1.453 -5.303 12.569 1.00 0.66 H new ATOM 0 HE2 LYS A 24 3.468 -3.269 11.553 1.00 1.04 H new ATOM 0 HE3 LYS A 24 3.423 -3.825 13.215 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 4.910 -4.976 11.383 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 4.228 -5.855 12.666 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 3.495 -5.882 11.135 1.00 1.59 H new ATOM 350 N HIS A 25 0.658 -5.453 7.311 1.00 0.29 N ATOM 351 CA HIS A 25 1.406 -6.402 6.513 1.00 0.34 C ATOM 352 C HIS A 25 2.792 -5.826 6.236 1.00 0.34 C ATOM 353 O HIS A 25 2.932 -4.838 5.520 1.00 0.43 O ATOM 354 CB HIS A 25 0.653 -6.664 5.207 1.00 0.42 C ATOM 355 CG HIS A 25 1.258 -7.730 4.344 1.00 0.69 C ATOM 356 ND1 HIS A 25 1.142 -9.072 4.623 1.00 1.46 N ATOM 357 CD2 HIS A 25 1.967 -7.647 3.193 1.00 1.39 C ATOM 358 CE1 HIS A 25 1.748 -9.769 3.682 1.00 1.58 C ATOM 359 NE2 HIS A 25 2.259 -8.930 2.802 1.00 1.44 N ATOM 0 H HIS A 25 0.804 -4.481 7.037 1.00 0.29 H new ATOM 0 HA HIS A 25 1.516 -7.347 7.044 1.00 0.34 H new ATOM 0 HB2 HIS A 25 -0.373 -6.945 5.444 1.00 0.42 H new ATOM 0 HB3 HIS A 25 0.606 -5.736 4.637 1.00 0.42 H new ATOM 0 HD2 HIS A 25 2.250 -6.740 2.679 1.00 1.39 H new ATOM 0 HE1 HIS A 25 1.815 -10.846 3.639 1.00 1.58 H new ATOM 0 HE2 HIS A 25 2.785 -9.192 1.968 1.00 1.44 H new ATOM 368 N GLN A 26 3.816 -6.448 6.786 1.00 0.36 N ATOM 369 CA GLN A 26 5.156 -5.883 6.732 1.00 0.38 C ATOM 370 C GLN A 26 6.062 -6.721 5.839 1.00 0.33 C ATOM 371 O GLN A 26 5.980 -7.948 5.831 1.00 0.47 O ATOM 372 CB GLN A 26 5.719 -5.776 8.149 1.00 0.54 C ATOM 373 CG GLN A 26 7.076 -5.099 8.239 1.00 0.67 C ATOM 374 CD GLN A 26 7.370 -4.600 9.637 1.00 1.12 C ATOM 375 OE1 GLN A 26 6.876 -5.150 10.621 1.00 1.84 O ATOM 376 NE2 GLN A 26 8.181 -3.558 9.734 1.00 1.59 N ATOM 0 H GLN A 26 3.750 -7.341 7.274 1.00 0.36 H new ATOM 0 HA GLN A 26 5.107 -4.885 6.297 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.010 -5.225 8.767 1.00 0.54 H new ATOM 0 HB3 GLN A 26 5.798 -6.778 8.571 1.00 0.54 H new ATOM 0 HG2 GLN A 26 7.852 -5.801 7.934 1.00 0.67 H new ATOM 0 HG3 GLN A 26 7.111 -4.263 7.541 1.00 0.67 H new ATOM 0 HE21 GLN A 26 8.568 -3.133 8.891 1.00 1.59 H new ATOM 0 HE22 GLN A 26 8.419 -3.180 10.651 1.00 1.59 H new ATOM 385 N VAL A 27 6.921 -6.047 5.086 1.00 0.29 N ATOM 386 CA VAL A 27 7.763 -6.712 4.107 1.00 0.29 C ATOM 387 C VAL A 27 9.197 -6.173 4.152 1.00 0.28 C ATOM 388 O VAL A 27 9.418 -4.965 4.272 1.00 0.31 O ATOM 389 CB VAL A 27 7.167 -6.553 2.684 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.968 -5.087 2.325 1.00 0.44 C ATOM 391 CG2 VAL A 27 8.034 -7.253 1.648 1.00 0.44 C ATOM 0 H VAL A 27 7.051 -5.037 5.137 1.00 0.29 H new ATOM 0 HA VAL A 27 7.796 -7.773 4.356 1.00 0.29 H new ATOM 0 HB VAL A 27 6.187 -7.030 2.683 1.00 0.35 H new ATOM 0 HG11 VAL A 27 6.549 -5.012 1.322 1.00 0.44 H new ATOM 0 HG12 VAL A 27 6.285 -4.627 3.039 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.928 -4.571 2.357 1.00 0.44 H new ATOM 0 HG21 VAL A 27 7.593 -7.126 0.659 1.00 0.44 H new ATOM 0 HG22 VAL A 27 9.034 -6.820 1.658 1.00 0.44 H new ATOM 0 HG23 VAL A 27 8.096 -8.315 1.884 1.00 0.44 H new ATOM 401 N ALA A 28 10.166 -7.078 4.101 1.00 0.31 N ATOM 402 CA ALA A 28 11.572 -6.695 4.091 1.00 0.33 C ATOM 403 C ALA A 28 12.075 -6.545 2.661 1.00 0.28 C ATOM 404 O ALA A 28 11.707 -7.327 1.779 1.00 0.29 O ATOM 405 CB ALA A 28 12.410 -7.719 4.844 1.00 0.41 C ATOM 0 H ALA A 28 10.004 -8.084 4.066 1.00 0.31 H new ATOM 0 HA ALA A 28 11.669 -5.733 4.594 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.457 -7.416 4.826 1.00 0.41 H new ATOM 0 HB2 ALA A 28 12.068 -7.780 5.877 1.00 0.41 H new ATOM 0 HB3 ALA A 28 12.306 -8.694 4.369 1.00 0.41 H new ATOM 411 N LEU A 29 12.906 -5.538 2.432 1.00 0.28 N ATOM 412 CA LEU A 29 13.411 -5.258 1.098 1.00 0.28 C ATOM 413 C LEU A 29 14.567 -6.201 0.758 1.00 0.32 C ATOM 414 O LEU A 29 15.381 -6.531 1.624 1.00 0.36 O ATOM 415 CB LEU A 29 13.824 -3.777 0.985 1.00 0.35 C ATOM 416 CG LEU A 29 12.678 -2.781 0.712 1.00 0.38 C ATOM 417 CD1 LEU A 29 12.287 -2.820 -0.755 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.465 -3.075 1.581 1.00 1.04 C ATOM 0 H LEU A 29 13.244 -4.902 3.154 1.00 0.28 H new ATOM 0 HA LEU A 29 12.620 -5.436 0.370 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.321 -3.486 1.911 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.559 -3.684 0.186 1.00 0.35 H new ATOM 0 HG LEU A 29 13.038 -1.783 0.963 1.00 0.38 H new ATOM 0 HD11 LEU A 29 11.477 -2.113 -0.935 1.00 1.13 H new ATOM 0 HD12 LEU A 29 13.147 -2.550 -1.368 1.00 1.13 H new ATOM 0 HD13 LEU A 29 11.956 -3.825 -1.017 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.677 -2.354 1.362 1.00 1.04 H new ATOM 0 HD22 LEU A 29 11.103 -4.082 1.372 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.744 -3.000 2.632 1.00 1.04 H new ATOM 430 N PRO A 30 14.628 -6.661 -0.506 1.00 0.38 N ATOM 431 CA PRO A 30 15.570 -7.707 -0.958 1.00 0.53 C ATOM 432 C PRO A 30 17.033 -7.419 -0.627 1.00 0.76 C ATOM 433 O PRO A 30 17.811 -8.335 -0.357 1.00 1.64 O ATOM 434 CB PRO A 30 15.361 -7.730 -2.470 1.00 0.52 C ATOM 435 CG PRO A 30 13.967 -7.250 -2.658 1.00 0.51 C ATOM 436 CD PRO A 30 13.765 -6.200 -1.607 1.00 0.41 C ATOM 0 HA PRO A 30 15.373 -8.654 -0.455 1.00 0.53 H new ATOM 0 HB2 PRO A 30 16.076 -7.084 -2.980 1.00 0.52 H new ATOM 0 HB3 PRO A 30 15.494 -8.734 -2.874 1.00 0.52 H new ATOM 0 HG2 PRO A 30 13.824 -6.839 -3.657 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.252 -8.064 -2.543 1.00 0.51 H new ATOM 0 HD2 PRO A 30 14.058 -5.212 -1.962 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.721 -6.132 -1.300 1.00 0.41 H new ATOM 444 N GLY A 31 17.414 -6.158 -0.663 1.00 0.79 N ATOM 445 CA GLY A 31 18.758 -5.786 -0.270 1.00 0.88 C ATOM 446 C GLY A 31 19.626 -5.331 -1.425 1.00 1.01 C ATOM 447 O GLY A 31 20.839 -5.195 -1.269 1.00 1.64 O ATOM 0 H GLY A 31 16.820 -5.382 -0.956 1.00 0.79 H new ATOM 0 HA2 GLY A 31 18.703 -4.986 0.469 1.00 0.88 H new ATOM 0 HA3 GLY A 31 19.233 -6.637 0.217 1.00 0.88 H new ATOM 451 N GLN A 32 19.025 -5.094 -2.585 1.00 1.08 N ATOM 452 CA GLN A 32 19.776 -4.578 -3.723 1.00 1.37 C ATOM 453 C GLN A 32 18.881 -3.808 -4.690 1.00 1.07 C ATOM 454 O GLN A 32 19.193 -2.676 -5.058 1.00 1.59 O ATOM 455 CB GLN A 32 20.530 -5.697 -4.445 1.00 2.00 C ATOM 456 CG GLN A 32 19.676 -6.883 -4.869 1.00 2.66 C ATOM 457 CD GLN A 32 20.519 -8.008 -5.433 1.00 3.34 C ATOM 458 OE1 GLN A 32 21.658 -8.209 -5.014 1.00 3.88 O ATOM 459 NE2 GLN A 32 19.980 -8.740 -6.393 1.00 3.82 N ATOM 0 H GLN A 32 18.032 -5.248 -2.762 1.00 1.08 H new ATOM 0 HA GLN A 32 20.512 -3.876 -3.330 1.00 1.37 H new ATOM 0 HB2 GLN A 32 21.008 -5.279 -5.331 1.00 2.00 H new ATOM 0 HB3 GLN A 32 21.326 -6.057 -3.793 1.00 2.00 H new ATOM 0 HG2 GLN A 32 19.109 -7.248 -4.013 1.00 2.66 H new ATOM 0 HG3 GLN A 32 18.952 -6.561 -5.617 1.00 2.66 H new ATOM 0 HE21 GLN A 32 19.032 -8.542 -6.714 1.00 3.82 H new ATOM 0 HE22 GLN A 32 20.512 -9.502 -6.813 1.00 3.82 H new ATOM 468 N GLU A 33 17.777 -4.410 -5.099 1.00 0.97 N ATOM 469 CA GLU A 33 16.832 -3.741 -5.962 1.00 0.88 C ATOM 470 C GLU A 33 15.560 -3.449 -5.196 1.00 0.88 C ATOM 471 O GLU A 33 15.311 -4.028 -4.137 1.00 1.63 O ATOM 472 CB GLU A 33 16.509 -4.587 -7.192 1.00 1.23 C ATOM 473 CG GLU A 33 17.691 -4.801 -8.120 1.00 1.72 C ATOM 474 CD GLU A 33 17.290 -5.515 -9.393 1.00 2.31 C ATOM 475 OE1 GLU A 33 16.808 -4.844 -10.327 1.00 3.02 O ATOM 476 OE2 GLU A 33 17.438 -6.752 -9.463 1.00 2.65 O ATOM 0 H GLU A 33 17.517 -5.363 -4.844 1.00 0.97 H new ATOM 0 HA GLU A 33 17.282 -2.808 -6.300 1.00 0.88 H new ATOM 0 HB2 GLU A 33 16.136 -5.558 -6.865 1.00 1.23 H new ATOM 0 HB3 GLU A 33 15.704 -4.107 -7.749 1.00 1.23 H new ATOM 0 HG2 GLU A 33 18.135 -3.837 -8.369 1.00 1.72 H new ATOM 0 HG3 GLU A 33 18.456 -5.381 -7.605 1.00 1.72 H new ATOM 483 N GLU A 34 14.766 -2.558 -5.743 1.00 0.54 N ATOM 484 CA GLU A 34 13.500 -2.178 -5.143 1.00 0.56 C ATOM 485 C GLU A 34 12.347 -2.653 -6.018 1.00 0.48 C ATOM 486 O GLU A 34 11.910 -1.937 -6.917 1.00 0.58 O ATOM 487 CB GLU A 34 13.403 -0.657 -4.970 1.00 0.72 C ATOM 488 CG GLU A 34 14.669 -0.005 -4.446 1.00 0.96 C ATOM 489 CD GLU A 34 15.479 0.668 -5.537 1.00 1.55 C ATOM 490 OE1 GLU A 34 15.943 -0.039 -6.454 1.00 2.31 O ATOM 491 OE2 GLU A 34 15.654 1.905 -5.490 1.00 1.97 O ATOM 0 H GLU A 34 14.976 -2.074 -6.616 1.00 0.54 H new ATOM 0 HA GLU A 34 13.442 -2.647 -4.161 1.00 0.56 H new ATOM 0 HB2 GLU A 34 13.149 -0.209 -5.931 1.00 0.72 H new ATOM 0 HB3 GLU A 34 12.584 -0.432 -4.287 1.00 0.72 H new ATOM 0 HG2 GLU A 34 14.405 0.733 -3.688 1.00 0.96 H new ATOM 0 HG3 GLU A 34 15.284 -0.759 -3.956 1.00 0.96 H new ATOM 498 N PRO A 35 11.876 -3.889 -5.816 1.00 0.41 N ATOM 499 CA PRO A 35 10.704 -4.401 -6.502 1.00 0.40 C ATOM 500 C PRO A 35 9.452 -4.227 -5.655 1.00 0.35 C ATOM 501 O PRO A 35 8.372 -4.695 -6.009 1.00 0.39 O ATOM 502 CB PRO A 35 11.050 -5.877 -6.659 1.00 0.48 C ATOM 503 CG PRO A 35 11.852 -6.210 -5.440 1.00 0.50 C ATOM 504 CD PRO A 35 12.458 -4.918 -4.934 1.00 0.46 C ATOM 0 HA PRO A 35 10.489 -3.892 -7.442 1.00 0.40 H new ATOM 0 HB2 PRO A 35 10.151 -6.490 -6.721 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.621 -6.055 -7.570 1.00 0.48 H new ATOM 0 HG2 PRO A 35 11.220 -6.663 -4.676 1.00 0.50 H new ATOM 0 HG3 PRO A 35 12.632 -6.933 -5.679 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.205 -4.739 -3.889 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.546 -4.933 -5.000 1.00 0.46 H new ATOM 512 N TRP A 36 9.619 -3.546 -4.529 1.00 0.30 N ATOM 513 CA TRP A 36 8.561 -3.409 -3.547 1.00 0.27 C ATOM 514 C TRP A 36 7.901 -2.041 -3.608 1.00 0.24 C ATOM 515 O TRP A 36 7.418 -1.548 -2.589 1.00 0.25 O ATOM 516 CB TRP A 36 9.111 -3.654 -2.134 1.00 0.28 C ATOM 517 CG TRP A 36 9.462 -5.095 -1.851 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.327 -5.542 -0.897 1.00 0.32 C ATOM 519 CD2 TRP A 36 8.956 -6.274 -2.512 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.396 -6.912 -0.918 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.565 -7.386 -1.897 1.00 0.34 C ATOM 522 CE3 TRP A 36 8.055 -6.502 -3.557 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.301 -8.696 -2.292 1.00 0.38 C ATOM 524 CZ3 TRP A 36 7.793 -7.803 -3.947 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.414 -8.885 -3.314 1.00 0.42 C ATOM 0 H TRP A 36 10.488 -3.077 -4.275 1.00 0.30 H new ATOM 0 HA TRP A 36 7.804 -4.157 -3.782 1.00 0.27 H new ATOM 0 HB2 TRP A 36 10.000 -3.040 -1.990 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.372 -3.321 -1.405 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.880 -4.907 -0.220 1.00 0.32 H new ATOM 0 HE1 TRP A 36 10.974 -7.485 -0.303 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.570 -5.674 -4.053 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 9.781 -9.533 -1.807 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.098 -7.986 -4.753 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.188 -9.890 -3.640 1.00 0.42 H new ATOM 536 N ASP A 37 7.858 -1.431 -4.792 1.00 0.24 N ATOM 537 CA ASP A 37 7.204 -0.144 -4.943 1.00 0.21 C ATOM 538 C ASP A 37 5.753 -0.242 -4.528 1.00 0.21 C ATOM 539 O ASP A 37 5.168 -1.330 -4.503 1.00 0.24 O ATOM 540 CB ASP A 37 7.275 0.375 -6.378 1.00 0.25 C ATOM 541 CG ASP A 37 7.253 -0.725 -7.404 1.00 0.82 C ATOM 542 OD1 ASP A 37 6.216 -1.394 -7.516 1.00 1.59 O ATOM 543 OD2 ASP A 37 8.268 -0.930 -8.102 1.00 1.21 O ATOM 0 H ASP A 37 8.265 -1.807 -5.648 1.00 0.24 H new ATOM 0 HA ASP A 37 7.734 0.558 -4.299 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.436 1.048 -6.557 1.00 0.25 H new ATOM 0 HB3 ASP A 37 8.186 0.961 -6.502 1.00 0.25 H new ATOM 548 N ILE A 38 5.174 0.902 -4.222 1.00 0.20 N ATOM 549 CA ILE A 38 3.803 0.956 -3.732 1.00 0.20 C ATOM 550 C ILE A 38 2.843 0.276 -4.714 1.00 0.20 C ATOM 551 O ILE A 38 1.843 -0.317 -4.306 1.00 0.23 O ATOM 552 CB ILE A 38 3.343 2.414 -3.490 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.426 3.215 -2.748 1.00 0.20 C ATOM 554 CG2 ILE A 38 2.036 2.439 -2.708 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.841 2.642 -1.408 1.00 0.24 C ATOM 0 H ILE A 38 5.629 1.811 -4.303 1.00 0.20 H new ATOM 0 HA ILE A 38 3.783 0.422 -2.782 1.00 0.20 H new ATOM 0 HB ILE A 38 3.177 2.882 -4.460 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.307 3.283 -3.386 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.064 4.232 -2.595 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.728 3.472 -2.547 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.265 1.914 -3.271 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.179 1.949 -1.745 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.608 3.276 -0.963 1.00 0.24 H new ATOM 0 HD12 ILE A 38 3.976 2.600 -0.746 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.238 1.637 -1.549 1.00 0.24 H new ATOM 567 N ARG A 39 3.167 0.329 -6.006 1.00 0.19 N ATOM 568 CA ARG A 39 2.295 -0.251 -7.020 1.00 0.20 C ATOM 569 C ARG A 39 2.343 -1.787 -6.995 1.00 0.19 C ATOM 570 O ARG A 39 1.314 -2.443 -7.155 1.00 0.25 O ATOM 571 CB ARG A 39 2.615 0.300 -8.420 1.00 0.31 C ATOM 572 CG ARG A 39 4.014 0.022 -8.928 1.00 0.99 C ATOM 573 CD ARG A 39 4.102 -1.334 -9.610 1.00 1.11 C ATOM 574 NE ARG A 39 3.358 -1.373 -10.871 1.00 1.63 N ATOM 575 CZ ARG A 39 3.554 -2.285 -11.820 1.00 2.06 C ATOM 576 NH1 ARG A 39 4.467 -3.235 -11.649 1.00 2.03 N ATOM 577 NH2 ARG A 39 2.841 -2.248 -12.939 1.00 2.62 N ATOM 0 H ARG A 39 4.016 0.762 -6.369 1.00 0.19 H new ATOM 0 HA ARG A 39 1.274 0.046 -6.778 1.00 0.20 H new ATOM 0 HB2 ARG A 39 1.900 -0.120 -9.128 1.00 0.31 H new ATOM 0 HB3 ARG A 39 2.459 1.379 -8.411 1.00 0.31 H new ATOM 0 HG2 ARG A 39 4.309 0.803 -9.629 1.00 0.99 H new ATOM 0 HG3 ARG A 39 4.718 0.058 -8.096 1.00 0.99 H new ATOM 0 HD2 ARG A 39 5.148 -1.575 -9.801 1.00 1.11 H new ATOM 0 HD3 ARG A 39 3.715 -2.101 -8.939 1.00 1.11 H new ATOM 0 HE ARG A 39 2.648 -0.659 -11.031 1.00 1.63 H new ATOM 0 HH11 ARG A 39 5.017 -3.265 -10.791 1.00 2.03 H new ATOM 0 HH12 ARG A 39 4.618 -3.934 -12.376 1.00 2.03 H new ATOM 0 HH21 ARG A 39 2.140 -1.519 -13.073 1.00 2.62 H new ATOM 0 HH22 ARG A 39 2.994 -2.949 -13.664 1.00 2.62 H new ATOM 591 N ASN A 40 3.530 -2.365 -6.776 1.00 0.17 N ATOM 592 CA ASN A 40 3.672 -3.826 -6.731 1.00 0.18 C ATOM 593 C ASN A 40 2.988 -4.400 -5.507 1.00 0.18 C ATOM 594 O ASN A 40 2.358 -5.455 -5.570 1.00 0.22 O ATOM 595 CB ASN A 40 5.139 -4.267 -6.723 1.00 0.22 C ATOM 596 CG ASN A 40 5.672 -4.597 -8.104 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.523 -5.720 -8.589 1.00 0.69 O ATOM 598 ND2 ASN A 40 6.309 -3.632 -8.739 1.00 0.59 N ATOM 0 H ASN A 40 4.398 -1.850 -6.629 1.00 0.17 H new ATOM 0 HA ASN A 40 3.198 -4.206 -7.636 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.747 -3.475 -6.286 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.245 -5.142 -6.081 1.00 0.22 H new ATOM 0 HD21 ASN A 40 6.699 -3.802 -9.666 1.00 0.59 H new ATOM 0 HD22 ASN A 40 6.411 -2.715 -8.303 1.00 0.59 H new ATOM 605 N LEU A 41 3.120 -3.703 -4.392 1.00 0.18 N ATOM 606 CA LEU A 41 2.518 -4.142 -3.141 1.00 0.19 C ATOM 607 C LEU A 41 1.009 -4.102 -3.244 1.00 0.19 C ATOM 608 O LEU A 41 0.310 -4.917 -2.648 1.00 0.21 O ATOM 609 CB LEU A 41 3.005 -3.271 -1.984 1.00 0.21 C ATOM 610 CG LEU A 41 4.333 -3.712 -1.370 1.00 0.26 C ATOM 611 CD1 LEU A 41 4.137 -4.986 -0.566 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.376 -3.946 -2.450 1.00 0.29 C ATOM 0 H LEU A 41 3.640 -2.828 -4.325 1.00 0.18 H new ATOM 0 HA LEU A 41 2.822 -5.171 -2.946 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.106 -2.245 -2.337 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.243 -3.266 -1.204 1.00 0.21 H new ATOM 0 HG LEU A 41 4.685 -2.918 -0.712 1.00 0.26 H new ATOM 0 HD11 LEU A 41 5.089 -5.293 -0.132 1.00 0.32 H new ATOM 0 HD12 LEU A 41 3.416 -4.806 0.231 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.765 -5.775 -1.220 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.313 -4.259 -1.989 1.00 0.29 H new ATOM 0 HD22 LEU A 41 5.028 -4.724 -3.129 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.536 -3.023 -3.007 1.00 0.29 H new ATOM 624 N LEU A 42 0.523 -3.160 -4.026 1.00 0.19 N ATOM 625 CA LEU A 42 -0.891 -3.047 -4.322 1.00 0.23 C ATOM 626 C LEU A 42 -1.379 -4.257 -5.117 1.00 0.21 C ATOM 627 O LEU A 42 -2.538 -4.669 -5.007 1.00 0.26 O ATOM 628 CB LEU A 42 -1.115 -1.734 -5.078 1.00 0.30 C ATOM 629 CG LEU A 42 -2.370 -1.632 -5.931 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.798 -0.189 -6.008 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.114 -2.163 -7.334 1.00 0.82 C ATOM 0 H LEU A 42 1.099 -2.449 -4.476 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.472 -3.033 -3.400 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -1.134 -0.923 -4.350 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.253 -1.563 -5.723 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.157 -2.232 -5.474 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.698 -0.108 -6.618 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -3.006 0.183 -5.005 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -2.001 0.404 -6.457 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.025 -2.080 -7.926 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -1.321 -1.581 -7.804 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -1.812 -3.209 -7.278 1.00 0.82 H new ATOM 643 N VAL A 43 -0.489 -4.816 -5.917 1.00 0.20 N ATOM 644 CA VAL A 43 -0.777 -6.037 -6.652 1.00 0.22 C ATOM 645 C VAL A 43 -0.747 -7.215 -5.706 1.00 0.22 C ATOM 646 O VAL A 43 -1.676 -8.018 -5.677 1.00 0.24 O ATOM 647 CB VAL A 43 0.242 -6.275 -7.782 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.116 -7.521 -8.571 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.331 -5.058 -8.686 1.00 0.32 C ATOM 0 H VAL A 43 0.446 -4.441 -6.076 1.00 0.20 H new ATOM 0 HA VAL A 43 -1.765 -5.931 -7.099 1.00 0.22 H new ATOM 0 HB VAL A 43 1.224 -6.433 -7.336 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.616 -7.672 -9.365 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.114 -8.385 -7.907 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.107 -7.402 -9.009 1.00 0.31 H new ATOM 0 HG21 VAL A 43 1.056 -5.245 -9.478 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.646 -4.860 -9.127 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.647 -4.193 -8.102 1.00 0.32 H new ATOM 659 N TRP A 44 0.320 -7.290 -4.920 1.00 0.23 N ATOM 660 CA TRP A 44 0.477 -8.348 -3.933 1.00 0.27 C ATOM 661 C TRP A 44 -0.737 -8.385 -3.011 1.00 0.28 C ATOM 662 O TRP A 44 -1.315 -9.440 -2.764 1.00 0.33 O ATOM 663 CB TRP A 44 1.750 -8.120 -3.107 1.00 0.31 C ATOM 664 CG TRP A 44 2.079 -9.250 -2.176 1.00 0.41 C ATOM 665 CD1 TRP A 44 1.521 -9.500 -0.952 1.00 0.45 C ATOM 666 CD2 TRP A 44 3.063 -10.271 -2.384 1.00 0.54 C ATOM 667 NE1 TRP A 44 2.086 -10.625 -0.398 1.00 0.56 N ATOM 668 CE2 TRP A 44 3.036 -11.113 -1.257 1.00 0.61 C ATOM 669 CE3 TRP A 44 3.960 -10.558 -3.418 1.00 0.65 C ATOM 670 CZ2 TRP A 44 3.872 -12.220 -1.136 1.00 0.76 C ATOM 671 CZ3 TRP A 44 4.789 -11.657 -3.294 1.00 0.81 C ATOM 672 CH2 TRP A 44 4.739 -12.476 -2.161 1.00 0.85 C ATOM 0 H TRP A 44 1.093 -6.626 -4.949 1.00 0.23 H new ATOM 0 HA TRP A 44 0.560 -9.302 -4.454 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.589 -7.965 -3.785 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.636 -7.205 -2.526 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.750 -8.902 -0.489 1.00 0.45 H new ATOM 0 HE1 TRP A 44 1.838 -11.030 0.505 1.00 0.56 H new ATOM 0 HE3 TRP A 44 4.004 -9.932 -4.297 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 3.837 -12.854 -0.263 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 5.487 -11.887 -4.085 1.00 0.81 H new ATOM 0 HH2 TRP A 44 5.399 -13.328 -2.095 1.00 0.85 H new ATOM 683 N ILE A 45 -1.130 -7.215 -2.530 1.00 0.26 N ATOM 684 CA ILE A 45 -2.266 -7.092 -1.638 1.00 0.29 C ATOM 685 C ILE A 45 -3.562 -7.491 -2.343 1.00 0.31 C ATOM 686 O ILE A 45 -4.424 -8.137 -1.760 1.00 0.37 O ATOM 687 CB ILE A 45 -2.362 -5.650 -1.094 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.325 -5.444 0.011 1.00 0.36 C ATOM 689 CG2 ILE A 45 -3.757 -5.338 -0.587 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.242 -4.016 0.511 1.00 0.47 C ATOM 0 H ILE A 45 -0.671 -6.330 -2.747 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.120 -7.773 -0.799 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.154 -4.961 -1.912 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.565 -6.099 0.848 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.346 -5.747 -0.361 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -3.787 -4.315 -0.212 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.473 -5.447 -1.402 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.014 -6.027 0.217 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.486 -3.948 1.293 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -0.972 -3.357 -0.314 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.209 -3.715 0.914 1.00 0.47 H new ATOM 702 N LYS A 46 -3.683 -7.137 -3.608 1.00 0.29 N ATOM 703 CA LYS A 46 -4.901 -7.426 -4.350 1.00 0.35 C ATOM 704 C LYS A 46 -5.027 -8.915 -4.668 1.00 0.39 C ATOM 705 O LYS A 46 -6.001 -9.560 -4.280 1.00 0.44 O ATOM 706 CB LYS A 46 -4.942 -6.615 -5.647 1.00 0.39 C ATOM 707 CG LYS A 46 -6.243 -6.763 -6.416 1.00 0.91 C ATOM 708 CD LYS A 46 -6.228 -5.998 -7.736 1.00 0.91 C ATOM 709 CE LYS A 46 -6.114 -4.490 -7.537 1.00 1.26 C ATOM 710 NZ LYS A 46 -4.714 -4.059 -7.272 1.00 1.93 N ATOM 0 H LYS A 46 -2.961 -6.653 -4.142 1.00 0.29 H new ATOM 0 HA LYS A 46 -5.743 -7.141 -3.719 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -4.786 -5.562 -5.412 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -4.115 -6.925 -6.286 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.427 -7.819 -6.613 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -7.068 -6.405 -5.801 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -5.392 -6.345 -8.344 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -7.139 -6.220 -8.291 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -6.487 -3.979 -8.425 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -6.749 -4.187 -6.705 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -4.676 -3.534 -6.375 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -4.099 -4.895 -7.210 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -4.387 -3.446 -8.046 1.00 1.93 H new ATOM 724 N LYS A 47 -4.024 -9.464 -5.340 1.00 0.41 N ATOM 725 CA LYS A 47 -4.114 -10.832 -5.862 1.00 0.52 C ATOM 726 C LYS A 47 -3.930 -11.895 -4.781 1.00 0.57 C ATOM 727 O LYS A 47 -4.144 -13.082 -5.027 1.00 0.78 O ATOM 728 CB LYS A 47 -3.084 -11.049 -6.971 1.00 0.65 C ATOM 729 CG LYS A 47 -1.637 -10.905 -6.524 1.00 1.31 C ATOM 730 CD LYS A 47 -0.693 -10.953 -7.715 1.00 1.66 C ATOM 731 CE LYS A 47 0.755 -10.732 -7.306 1.00 2.33 C ATOM 732 NZ LYS A 47 1.306 -11.876 -6.533 1.00 2.96 N ATOM 0 H LYS A 47 -3.142 -8.992 -5.538 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.122 -10.943 -6.261 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -3.224 -12.045 -7.390 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.276 -10.336 -7.773 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -1.509 -9.963 -5.991 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -1.387 -11.703 -5.825 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -0.786 -11.919 -8.212 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -0.985 -10.193 -8.439 1.00 1.66 H new ATOM 0 HE2 LYS A 47 1.362 -10.574 -8.198 1.00 2.33 H new ATOM 0 HE3 LYS A 47 0.826 -9.824 -6.707 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 2.300 -11.686 -6.292 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 0.756 -12.002 -5.660 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 1.249 -12.742 -7.106 1.00 2.96 H new ATOM 746 N ASN A 48 -3.519 -11.481 -3.599 1.00 0.50 N ATOM 747 CA ASN A 48 -3.274 -12.424 -2.514 1.00 0.58 C ATOM 748 C ASN A 48 -4.179 -12.154 -1.317 1.00 0.58 C ATOM 749 O ASN A 48 -4.741 -13.080 -0.727 1.00 0.77 O ATOM 750 CB ASN A 48 -1.806 -12.347 -2.083 1.00 0.61 C ATOM 751 CG ASN A 48 -1.455 -13.270 -0.926 1.00 1.41 C ATOM 752 OD1 ASN A 48 -0.630 -12.925 -0.083 1.00 2.21 O ATOM 753 ND2 ASN A 48 -2.046 -14.454 -0.891 1.00 2.09 N ATOM 0 H ASN A 48 -3.347 -10.504 -3.361 1.00 0.50 H new ATOM 0 HA ASN A 48 -3.499 -13.425 -2.883 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -1.174 -12.593 -2.936 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -1.574 -11.320 -1.800 1.00 0.61 H new ATOM 0 HD21 ASN A 48 -1.821 -15.114 -0.147 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -2.726 -14.706 -1.608 1.00 2.09 H new ATOM 760 N LEU A 49 -4.331 -10.888 -0.967 1.00 0.42 N ATOM 761 CA LEU A 49 -4.982 -10.519 0.280 1.00 0.44 C ATOM 762 C LEU A 49 -6.450 -10.129 0.072 1.00 0.39 C ATOM 763 O LEU A 49 -7.296 -10.437 0.915 1.00 0.39 O ATOM 764 CB LEU A 49 -4.200 -9.377 0.937 1.00 0.50 C ATOM 765 CG LEU A 49 -4.641 -8.980 2.344 1.00 0.57 C ATOM 766 CD1 LEU A 49 -4.487 -10.148 3.303 1.00 1.32 C ATOM 767 CD2 LEU A 49 -3.834 -7.785 2.820 1.00 1.10 C ATOM 0 H LEU A 49 -4.013 -10.098 -1.528 1.00 0.42 H new ATOM 0 HA LEU A 49 -4.983 -11.388 0.938 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -3.148 -9.659 0.975 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -4.272 -8.499 0.295 1.00 0.50 H new ATOM 0 HG LEU A 49 -5.695 -8.703 2.317 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -4.806 -9.845 4.300 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -5.102 -10.981 2.963 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -3.442 -10.457 3.335 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -4.154 -7.507 3.824 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -2.775 -8.044 2.835 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -3.993 -6.946 2.143 1.00 1.10 H new ATOM 779 N LEU A 50 -6.754 -9.465 -1.048 1.00 0.39 N ATOM 780 CA LEU A 50 -8.116 -8.992 -1.315 1.00 0.39 C ATOM 781 C LEU A 50 -9.044 -10.195 -1.475 1.00 0.41 C ATOM 782 O LEU A 50 -8.849 -11.023 -2.364 1.00 0.50 O ATOM 783 CB LEU A 50 -8.135 -8.113 -2.578 1.00 0.47 C ATOM 784 CG LEU A 50 -9.206 -7.005 -2.628 1.00 0.44 C ATOM 785 CD1 LEU A 50 -10.607 -7.580 -2.590 1.00 0.51 C ATOM 786 CD2 LEU A 50 -9.019 -6.021 -1.488 1.00 0.62 C ATOM 0 H LEU A 50 -6.079 -9.244 -1.780 1.00 0.39 H new ATOM 0 HA LEU A 50 -8.464 -8.386 -0.479 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.156 -7.646 -2.684 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -8.274 -8.761 -3.443 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.081 -6.479 -3.574 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.334 -6.769 -2.627 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -10.754 -8.238 -3.446 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -10.743 -8.147 -1.669 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -9.786 -5.249 -1.544 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -9.102 -6.546 -0.537 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -8.034 -5.560 -1.563 1.00 0.62 H new ATOM 798 N LYS A 51 -10.040 -10.299 -0.602 1.00 0.40 N ATOM 799 CA LYS A 51 -10.886 -11.486 -0.567 1.00 0.47 C ATOM 800 C LYS A 51 -12.226 -11.258 -1.267 1.00 0.52 C ATOM 801 O LYS A 51 -12.868 -12.212 -1.707 1.00 0.63 O ATOM 802 CB LYS A 51 -11.097 -11.947 0.879 1.00 0.52 C ATOM 803 CG LYS A 51 -9.787 -12.203 1.612 1.00 0.57 C ATOM 804 CD LYS A 51 -9.924 -13.254 2.696 1.00 1.08 C ATOM 805 CE LYS A 51 -8.584 -13.918 2.984 1.00 1.81 C ATOM 806 NZ LYS A 51 -7.479 -12.929 3.125 1.00 2.26 N ATOM 0 H LYS A 51 -10.280 -9.584 0.084 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.370 -12.274 -1.116 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -11.668 -11.190 1.417 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -11.694 -12.859 0.882 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.030 -12.521 0.896 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -9.435 -11.272 2.056 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -10.310 -12.795 3.606 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -10.649 -14.008 2.388 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -8.662 -14.505 3.899 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -8.345 -14.613 2.179 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -6.650 -13.393 3.548 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -7.226 -12.555 2.188 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -7.789 -12.148 3.737 1.00 2.26 H new ATOM 820 N GLU A 52 -12.653 -10.008 -1.364 1.00 0.52 N ATOM 821 CA GLU A 52 -13.865 -9.685 -2.105 1.00 0.59 C ATOM 822 C GLU A 52 -13.503 -9.186 -3.503 1.00 0.58 C ATOM 823 O GLU A 52 -12.452 -9.542 -4.039 1.00 0.72 O ATOM 824 CB GLU A 52 -14.704 -8.649 -1.350 1.00 0.66 C ATOM 825 CG GLU A 52 -14.009 -7.316 -1.115 1.00 0.64 C ATOM 826 CD GLU A 52 -14.886 -6.350 -0.350 1.00 0.90 C ATOM 827 OE1 GLU A 52 -14.880 -6.399 0.896 1.00 1.16 O ATOM 828 OE2 GLU A 52 -15.605 -5.555 -0.992 1.00 1.15 O ATOM 0 H GLU A 52 -12.184 -9.206 -0.943 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.467 -10.588 -2.205 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -15.623 -8.470 -1.907 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -14.992 -9.068 -0.386 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.084 -7.481 -0.563 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -13.734 -6.876 -2.074 1.00 0.64 H new ATOM 835 N ARG A 53 -14.371 -8.386 -4.102 1.00 0.65 N ATOM 836 CA ARG A 53 -14.103 -7.838 -5.423 1.00 0.68 C ATOM 837 C ARG A 53 -13.225 -6.595 -5.334 1.00 0.59 C ATOM 838 O ARG A 53 -13.577 -5.622 -4.666 1.00 0.65 O ATOM 839 CB ARG A 53 -15.406 -7.500 -6.144 1.00 0.87 C ATOM 840 CG ARG A 53 -16.198 -8.722 -6.568 1.00 1.34 C ATOM 841 CD ARG A 53 -17.476 -8.325 -7.281 1.00 1.78 C ATOM 842 NE ARG A 53 -18.186 -9.481 -7.817 1.00 2.46 N ATOM 843 CZ ARG A 53 -19.506 -9.536 -7.965 1.00 3.32 C ATOM 844 NH1 ARG A 53 -20.261 -8.518 -7.572 1.00 3.80 N ATOM 845 NH2 ARG A 53 -20.072 -10.614 -8.489 1.00 4.10 N ATOM 0 H ARG A 53 -15.263 -8.102 -3.697 1.00 0.65 H new ATOM 0 HA ARG A 53 -13.571 -8.599 -5.993 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -16.025 -6.885 -5.490 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -15.179 -6.900 -7.025 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -15.590 -9.343 -7.225 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -16.439 -9.325 -5.692 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -18.126 -7.790 -6.589 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -17.239 -7.637 -8.093 1.00 1.78 H new ATOM 0 HE ARG A 53 -17.637 -10.295 -8.095 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -19.829 -7.693 -7.156 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -21.274 -8.560 -7.686 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -19.495 -11.403 -8.779 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -21.085 -10.654 -8.602 1.00 4.10 H new ATOM 859 N PRO A 54 -12.072 -6.608 -6.025 1.00 0.55 N ATOM 860 CA PRO A 54 -11.133 -5.477 -6.044 1.00 0.53 C ATOM 861 C PRO A 54 -11.714 -4.245 -6.738 1.00 0.57 C ATOM 862 O PRO A 54 -11.109 -3.176 -6.736 1.00 0.59 O ATOM 863 CB PRO A 54 -9.939 -6.005 -6.844 1.00 0.61 C ATOM 864 CG PRO A 54 -10.098 -7.488 -6.861 1.00 0.68 C ATOM 865 CD PRO A 54 -11.576 -7.734 -6.830 1.00 0.65 C ATOM 0 HA PRO A 54 -10.882 -5.154 -5.034 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -9.933 -5.599 -7.856 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -8.996 -5.716 -6.379 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -9.647 -7.921 -7.754 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -9.606 -7.945 -6.002 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.007 -7.738 -7.831 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -11.818 -8.695 -6.375 1.00 0.65 H new ATOM 873 N GLU A 55 -12.886 -4.415 -7.333 1.00 0.64 N ATOM 874 CA GLU A 55 -13.579 -3.329 -8.012 1.00 0.75 C ATOM 875 C GLU A 55 -13.913 -2.197 -7.046 1.00 0.69 C ATOM 876 O GLU A 55 -13.848 -1.024 -7.410 1.00 0.80 O ATOM 877 CB GLU A 55 -14.853 -3.856 -8.667 1.00 0.92 C ATOM 878 CG GLU A 55 -14.584 -4.916 -9.721 1.00 1.39 C ATOM 879 CD GLU A 55 -13.681 -4.414 -10.830 1.00 1.89 C ATOM 880 OE1 GLU A 55 -14.204 -3.872 -11.824 1.00 2.27 O ATOM 881 OE2 GLU A 55 -12.447 -4.551 -10.711 1.00 2.43 O ATOM 0 H GLU A 55 -13.382 -5.306 -7.359 1.00 0.64 H new ATOM 0 HA GLU A 55 -12.917 -2.929 -8.780 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -15.504 -4.273 -7.899 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -15.390 -3.025 -9.124 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -14.126 -5.785 -9.249 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -15.530 -5.247 -10.149 1.00 1.39 H new ATOM 888 N LEU A 56 -14.259 -2.554 -5.815 1.00 0.64 N ATOM 889 CA LEU A 56 -14.588 -1.563 -4.795 1.00 0.68 C ATOM 890 C LEU A 56 -13.330 -1.130 -4.056 1.00 0.59 C ATOM 891 O LEU A 56 -13.364 -0.269 -3.175 1.00 0.69 O ATOM 892 CB LEU A 56 -15.612 -2.132 -3.815 1.00 0.81 C ATOM 893 CG LEU A 56 -16.956 -2.509 -4.441 1.00 1.09 C ATOM 894 CD1 LEU A 56 -17.899 -3.053 -3.381 1.00 1.86 C ATOM 895 CD2 LEU A 56 -17.565 -1.307 -5.151 1.00 2.05 C ATOM 0 H LEU A 56 -14.319 -3.522 -5.498 1.00 0.64 H new ATOM 0 HA LEU A 56 -15.022 -0.690 -5.283 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -15.187 -3.016 -3.340 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -15.787 -1.399 -3.027 1.00 0.81 H new ATOM 0 HG LEU A 56 -16.792 -3.292 -5.181 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -18.851 -3.317 -3.842 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -17.459 -3.939 -2.923 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -18.064 -2.294 -2.617 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -18.521 -1.590 -5.591 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -17.721 -0.501 -4.434 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -16.890 -0.968 -5.937 1.00 2.05 H new ATOM 907 N PHE A 57 -12.224 -1.732 -4.446 1.00 0.47 N ATOM 908 CA PHE A 57 -10.929 -1.449 -3.868 1.00 0.41 C ATOM 909 C PHE A 57 -10.213 -0.409 -4.738 1.00 0.37 C ATOM 910 O PHE A 57 -10.838 0.245 -5.577 1.00 0.37 O ATOM 911 CB PHE A 57 -10.139 -2.764 -3.751 1.00 0.38 C ATOM 912 CG PHE A 57 -8.860 -2.689 -2.953 1.00 0.35 C ATOM 913 CD1 PHE A 57 -8.795 -1.969 -1.769 1.00 0.35 C ATOM 914 CD2 PHE A 57 -7.724 -3.351 -3.391 1.00 0.37 C ATOM 915 CE1 PHE A 57 -7.624 -1.914 -1.038 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.550 -3.302 -2.663 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.500 -2.582 -1.485 1.00 0.35 C ATOM 0 H PHE A 57 -12.201 -2.439 -5.181 1.00 0.47 H new ATOM 0 HA PHE A 57 -11.024 -1.031 -2.866 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -10.785 -3.516 -3.298 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -9.899 -3.113 -4.755 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -9.670 -1.445 -1.414 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -7.756 -3.912 -4.313 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.587 -1.349 -0.118 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -5.673 -3.826 -3.014 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.584 -2.541 -0.914 1.00 0.35 H new ATOM 927 N ILE A 58 -8.925 -0.249 -4.529 1.00 0.36 N ATOM 928 CA ILE A 58 -8.148 0.790 -5.183 1.00 0.36 C ATOM 929 C ILE A 58 -7.745 0.412 -6.607 1.00 0.30 C ATOM 930 O ILE A 58 -7.769 -0.759 -6.987 1.00 0.30 O ATOM 931 CB ILE A 58 -6.880 1.083 -4.364 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.049 -0.189 -4.234 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.250 1.622 -2.995 1.00 0.97 C ATOM 934 CD1 ILE A 58 -4.852 -0.059 -3.318 1.00 0.90 C ATOM 0 H ILE A 58 -8.381 -0.837 -3.898 1.00 0.36 H new ATOM 0 HA ILE A 58 -8.782 1.675 -5.241 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.288 1.840 -4.878 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.689 -0.991 -3.865 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.704 -0.486 -5.224 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.342 1.825 -2.426 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -7.821 2.544 -3.109 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -7.853 0.885 -2.465 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.317 -1.008 -3.282 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.188 0.719 -3.695 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.188 0.206 -2.316 1.00 0.90 H new ATOM 946 N GLN A 59 -7.372 1.433 -7.378 1.00 0.31 N ATOM 947 CA GLN A 59 -6.925 1.267 -8.760 1.00 0.30 C ATOM 948 C GLN A 59 -5.665 0.419 -8.792 1.00 0.27 C ATOM 949 O GLN A 59 -4.887 0.451 -7.848 1.00 0.29 O ATOM 950 CB GLN A 59 -6.618 2.637 -9.383 1.00 0.39 C ATOM 951 CG GLN A 59 -5.444 3.351 -8.716 1.00 0.56 C ATOM 952 CD GLN A 59 -5.154 4.723 -9.298 1.00 0.60 C ATOM 953 OE1 GLN A 59 -6.052 5.397 -9.796 1.00 1.35 O ATOM 954 NE2 GLN A 59 -3.895 5.154 -9.227 1.00 0.58 N ATOM 0 H GLN A 59 -7.371 2.402 -7.060 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.717 0.778 -9.327 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.401 2.507 -10.443 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.505 3.267 -9.314 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.651 3.454 -7.651 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.553 2.731 -8.809 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -3.177 4.564 -8.806 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -3.649 6.073 -9.594 1.00 0.58 H new ATOM 963 N GLY A 60 -5.480 -0.354 -9.855 1.00 0.32 N ATOM 964 CA GLY A 60 -4.287 -1.176 -9.987 1.00 0.38 C ATOM 965 C GLY A 60 -3.029 -0.354 -10.247 1.00 0.37 C ATOM 966 O GLY A 60 -2.227 -0.681 -11.122 1.00 0.55 O ATOM 0 H GLY A 60 -6.136 -0.428 -10.632 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.152 -1.761 -9.077 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.428 -1.884 -10.803 1.00 0.38 H new ATOM 970 N ASP A 61 -2.864 0.712 -9.474 1.00 0.40 N ATOM 971 CA ASP A 61 -1.712 1.598 -9.580 1.00 0.46 C ATOM 972 C ASP A 61 -1.292 2.044 -8.187 1.00 0.44 C ATOM 973 O ASP A 61 -0.206 1.716 -7.723 1.00 0.54 O ATOM 974 CB ASP A 61 -2.028 2.834 -10.436 1.00 0.55 C ATOM 975 CG ASP A 61 -2.330 2.509 -11.886 1.00 0.81 C ATOM 976 OD1 ASP A 61 -1.380 2.433 -12.694 1.00 1.06 O ATOM 977 OD2 ASP A 61 -3.514 2.311 -12.226 1.00 0.96 O ATOM 0 H ASP A 61 -3.530 0.988 -8.752 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.904 1.049 -10.063 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.882 3.356 -10.004 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -1.182 3.520 -10.395 1.00 0.55 H new ATOM 982 N SER A 62 -2.179 2.767 -7.506 1.00 0.40 N ATOM 983 CA SER A 62 -1.884 3.281 -6.173 1.00 0.46 C ATOM 984 C SER A 62 -3.117 3.166 -5.271 1.00 0.47 C ATOM 985 O SER A 62 -3.173 2.302 -4.405 1.00 0.70 O ATOM 986 CB SER A 62 -1.404 4.734 -6.256 1.00 0.53 C ATOM 987 OG SER A 62 -0.920 5.190 -5.007 1.00 0.80 O ATOM 0 H SER A 62 -3.106 3.009 -7.856 1.00 0.40 H new ATOM 0 HA SER A 62 -1.085 2.681 -5.736 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.617 4.816 -7.005 1.00 0.53 H new ATOM 0 HB3 SER A 62 -2.225 5.372 -6.585 1.00 0.53 H new ATOM 0 HG SER A 62 -0.006 4.863 -4.871 1.00 0.80 H new ATOM 993 N VAL A 63 -4.102 4.034 -5.487 1.00 0.38 N ATOM 994 CA VAL A 63 -5.372 3.992 -4.749 1.00 0.37 C ATOM 995 C VAL A 63 -6.479 4.644 -5.555 1.00 0.40 C ATOM 996 O VAL A 63 -6.214 5.432 -6.459 1.00 0.52 O ATOM 997 CB VAL A 63 -5.307 4.724 -3.387 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.618 3.886 -2.328 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.622 6.068 -3.537 1.00 0.78 C ATOM 0 H VAL A 63 -4.048 4.785 -6.175 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.572 2.935 -4.575 1.00 0.37 H new ATOM 0 HB VAL A 63 -6.332 4.889 -3.054 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.593 4.436 -1.388 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -5.165 2.954 -2.189 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -3.599 3.664 -2.645 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.586 6.568 -2.569 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.608 5.920 -3.907 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -5.180 6.684 -4.243 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.720 4.306 -5.235 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.855 5.032 -5.777 1.00 0.40 C ATOM 1011 C ARG A 64 -9.000 6.324 -4.988 1.00 0.40 C ATOM 1012 O ARG A 64 -8.542 6.388 -3.851 1.00 0.40 O ATOM 1013 CB ARG A 64 -10.152 4.203 -5.695 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.551 3.783 -4.282 1.00 0.36 C ATOM 1015 CD ARG A 64 -12.021 3.380 -4.201 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.422 2.439 -5.247 1.00 1.05 N ATOM 1017 CZ ARG A 64 -13.524 2.585 -5.987 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -14.283 3.669 -5.856 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -13.862 1.658 -6.871 1.00 2.05 N ATOM 0 H ARG A 64 -7.964 3.540 -4.608 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.682 5.242 -6.832 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.966 4.782 -6.131 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -10.035 3.308 -6.306 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.928 2.948 -3.962 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.362 4.605 -3.592 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -12.215 2.933 -3.226 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -12.640 4.275 -4.270 1.00 0.45 H new ATOM 0 HE ARG A 64 -11.828 1.628 -5.420 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -14.025 4.395 -5.187 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -15.124 3.775 -6.424 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -13.280 0.829 -6.988 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -14.705 1.773 -7.434 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.621 7.366 -5.568 1.00 0.49 N ATOM 1034 CA PRO A 65 -9.846 8.640 -4.868 1.00 0.53 C ATOM 1035 C PRO A 65 -10.502 8.443 -3.501 1.00 0.44 C ATOM 1036 O PRO A 65 -10.405 9.297 -2.618 1.00 0.51 O ATOM 1037 CB PRO A 65 -10.795 9.401 -5.791 1.00 0.65 C ATOM 1038 CG PRO A 65 -10.608 8.806 -7.144 1.00 0.72 C ATOM 1039 CD PRO A 65 -10.133 7.392 -6.949 1.00 0.61 C ATOM 0 HA PRO A 65 -8.908 9.159 -4.673 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -11.828 9.300 -5.459 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -10.564 10.466 -5.797 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -11.543 8.824 -7.704 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -9.881 9.380 -7.719 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -10.945 6.678 -7.086 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.355 7.131 -7.666 1.00 0.61 H new ATOM 1047 N GLY A 66 -11.184 7.316 -3.356 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.839 6.975 -2.115 1.00 0.32 C ATOM 1049 C GLY A 66 -10.881 6.632 -0.984 1.00 0.25 C ATOM 1050 O GLY A 66 -11.172 6.901 0.179 1.00 0.27 O ATOM 0 H GLY A 66 -11.295 6.621 -4.094 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.466 7.811 -1.805 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.501 6.126 -2.287 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.752 6.011 -1.304 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.793 5.626 -0.281 1.00 0.23 C ATOM 1056 C ILE A 67 -7.536 6.486 -0.346 1.00 0.24 C ATOM 1057 O ILE A 67 -6.929 6.642 -1.402 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.420 4.139 -0.419 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.701 3.304 -0.451 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.508 3.690 0.716 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.464 1.811 -0.428 1.00 0.34 C ATOM 0 H ILE A 67 -9.481 5.766 -2.256 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.265 5.785 0.688 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.870 3.996 -1.349 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.321 3.576 0.403 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.265 3.558 -1.348 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.263 2.635 0.590 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.592 4.280 0.702 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -8.016 3.833 1.670 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.421 1.290 -0.453 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.872 1.523 -1.297 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.928 1.542 0.482 1.00 0.34 H new ATOM 1073 N LEU A 68 -7.168 7.046 0.791 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.969 7.868 0.902 1.00 0.29 C ATOM 1075 C LEU A 68 -4.820 7.019 1.436 1.00 0.28 C ATOM 1076 O LEU A 68 -5.055 6.045 2.146 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.223 9.050 1.841 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.496 9.854 1.561 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.637 10.992 2.560 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.496 10.388 0.136 1.00 0.44 C ATOM 0 H LEU A 68 -7.687 6.947 1.663 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.708 8.255 -0.083 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -6.268 8.676 2.864 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.369 9.725 1.786 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.352 9.189 1.673 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.547 11.553 2.346 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.690 10.585 3.570 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.775 11.655 2.481 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.410 10.956 -0.040 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.632 11.037 -0.009 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.446 9.555 -0.565 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.588 7.371 1.101 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.438 6.606 1.570 1.00 0.27 C ATOM 1094 C VAL A 69 -1.361 7.493 2.167 1.00 0.19 C ATOM 1095 O VAL A 69 -1.003 8.532 1.614 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.829 5.734 0.445 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.394 5.326 0.756 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.672 4.495 0.249 1.00 0.81 C ATOM 0 H VAL A 69 -3.358 8.172 0.513 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.815 5.951 2.356 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.818 6.331 -0.467 1.00 0.44 H new ATOM 0 HG11 VAL A 69 -0.005 4.715 -0.059 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.222 6.218 0.867 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.372 4.752 1.682 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -2.241 3.883 -0.543 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.698 3.922 1.176 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.686 4.785 -0.027 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.864 7.076 3.313 1.00 0.18 N ATOM 1109 CA LEU A 70 0.305 7.693 3.899 1.00 0.16 C ATOM 1110 C LEU A 70 1.538 6.913 3.493 1.00 0.15 C ATOM 1111 O LEU A 70 1.644 5.722 3.773 1.00 0.19 O ATOM 1112 CB LEU A 70 0.210 7.731 5.428 1.00 0.22 C ATOM 1113 CG LEU A 70 -0.886 8.626 6.008 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -0.798 8.644 7.525 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -0.774 10.036 5.451 1.00 0.90 C ATOM 0 H LEU A 70 -1.255 6.308 3.859 1.00 0.18 H new ATOM 0 HA LEU A 70 0.368 8.719 3.536 1.00 0.16 H new ATOM 0 HB2 LEU A 70 0.050 6.715 5.788 1.00 0.22 H new ATOM 0 HB3 LEU A 70 1.170 8.062 5.824 1.00 0.22 H new ATOM 0 HG LEU A 70 -1.856 8.221 5.719 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -1.583 9.284 7.927 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -0.923 7.632 7.909 1.00 0.95 H new ATOM 0 HD13 LEU A 70 0.175 9.029 7.828 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -1.562 10.658 5.875 1.00 0.90 H new ATOM 0 HD22 LEU A 70 0.198 10.454 5.712 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -0.878 10.008 4.366 1.00 0.90 H new ATOM 1127 N ILE A 71 2.442 7.564 2.790 1.00 0.14 N ATOM 1128 CA ILE A 71 3.751 6.992 2.561 1.00 0.17 C ATOM 1129 C ILE A 71 4.644 7.430 3.695 1.00 0.20 C ATOM 1130 O ILE A 71 4.898 8.629 3.845 1.00 0.24 O ATOM 1131 CB ILE A 71 4.395 7.437 1.239 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.470 7.155 0.048 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.740 6.733 1.066 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.329 5.693 -0.309 1.00 0.20 C ATOM 0 H ILE A 71 2.296 8.482 2.371 1.00 0.14 H new ATOM 0 HA ILE A 71 3.633 5.910 2.506 1.00 0.17 H new ATOM 0 HB ILE A 71 4.559 8.514 1.273 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.482 7.558 0.269 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.846 7.693 -0.822 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.198 7.048 0.128 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.397 6.994 1.896 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.587 5.654 1.050 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.657 5.590 -1.161 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.307 5.285 -0.566 1.00 0.20 H new ATOM 0 HD13 ILE A 71 2.921 5.148 0.542 1.00 0.20 H new ATOM 1146 N ASN A 72 5.047 6.475 4.520 1.00 0.22 N ATOM 1147 CA ASN A 72 5.877 6.739 5.691 1.00 0.28 C ATOM 1148 C ASN A 72 5.002 7.325 6.782 1.00 0.27 C ATOM 1149 O ASN A 72 4.867 6.741 7.857 1.00 0.31 O ATOM 1150 CB ASN A 72 7.043 7.679 5.359 1.00 0.41 C ATOM 1151 CG ASN A 72 8.281 7.389 6.175 1.00 1.04 C ATOM 1152 OD1 ASN A 72 8.457 7.903 7.282 1.00 1.94 O ATOM 1153 ND2 ASN A 72 9.154 6.583 5.611 1.00 1.33 N ATOM 0 H ASN A 72 4.808 5.491 4.398 1.00 0.22 H new ATOM 0 HA ASN A 72 6.318 5.803 6.033 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.283 7.592 4.299 1.00 0.41 H new ATOM 0 HB3 ASN A 72 6.733 8.710 5.532 1.00 0.41 H new ATOM 0 HD21 ASN A 72 10.025 6.357 6.092 1.00 1.33 H new ATOM 0 HD22 ASN A 72 8.960 6.184 4.693 1.00 1.33 H new ATOM 1160 N ASP A 73 4.394 8.464 6.464 1.00 0.26 N ATOM 1161 CA ASP A 73 3.403 9.120 7.318 1.00 0.29 C ATOM 1162 C ASP A 73 2.875 10.378 6.621 1.00 0.28 C ATOM 1163 O ASP A 73 2.318 11.267 7.255 1.00 0.36 O ATOM 1164 CB ASP A 73 4.017 9.478 8.680 1.00 0.36 C ATOM 1165 CG ASP A 73 2.986 9.906 9.712 1.00 0.62 C ATOM 1166 OD1 ASP A 73 2.223 9.036 10.189 1.00 1.03 O ATOM 1167 OD2 ASP A 73 2.951 11.104 10.068 1.00 0.65 O ATOM 0 H ASP A 73 4.577 8.966 5.595 1.00 0.26 H new ATOM 0 HA ASP A 73 2.574 8.434 7.490 1.00 0.29 H new ATOM 0 HB2 ASP A 73 4.566 8.617 9.061 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.740 10.282 8.544 1.00 0.36 H new ATOM 1172 N ALA A 74 3.022 10.436 5.299 1.00 0.27 N ATOM 1173 CA ALA A 74 2.689 11.650 4.557 1.00 0.29 C ATOM 1174 C ALA A 74 1.854 11.344 3.317 1.00 0.25 C ATOM 1175 O ALA A 74 1.732 10.189 2.911 1.00 0.20 O ATOM 1176 CB ALA A 74 3.957 12.389 4.164 1.00 0.33 C ATOM 0 H ALA A 74 3.365 9.666 4.725 1.00 0.27 H new ATOM 0 HA ALA A 74 2.090 12.283 5.212 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.696 13.292 3.612 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.513 12.661 5.061 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.574 11.745 3.536 1.00 0.33 H new ATOM 1182 N ASP A 75 1.294 12.393 2.720 1.00 0.30 N ATOM 1183 CA ASP A 75 0.428 12.265 1.549 1.00 0.29 C ATOM 1184 C ASP A 75 1.157 11.624 0.380 1.00 0.23 C ATOM 1185 O ASP A 75 2.054 12.218 -0.216 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.116 13.630 1.126 1.00 0.36 C ATOM 1187 CG ASP A 75 -1.082 14.206 2.135 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -0.635 14.609 3.226 1.00 0.62 O ATOM 1189 OD2 ASP A 75 -2.295 14.257 1.846 1.00 0.61 O ATOM 0 H ASP A 75 1.427 13.355 3.033 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.402 11.618 1.833 1.00 0.29 H new ATOM 0 HB2 ASP A 75 0.715 14.322 0.988 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.616 13.535 0.162 1.00 0.36 H new ATOM 1194 N TRP A 76 0.740 10.409 0.062 1.00 0.21 N ATOM 1195 CA TRP A 76 1.321 9.612 -1.011 1.00 0.17 C ATOM 1196 C TRP A 76 1.387 10.366 -2.340 1.00 0.16 C ATOM 1197 O TRP A 76 2.402 10.319 -3.036 1.00 0.14 O ATOM 1198 CB TRP A 76 0.501 8.322 -1.186 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.819 8.494 -1.901 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.180 7.895 -3.070 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.945 9.314 -1.516 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.436 8.290 -3.443 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.931 9.153 -2.506 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.214 10.166 -0.439 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.158 9.808 -2.453 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.433 10.812 -0.386 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.390 10.629 -1.388 1.00 0.34 C ATOM 0 H TRP A 76 -0.024 9.940 0.549 1.00 0.21 H new ATOM 0 HA TRP A 76 2.347 9.379 -0.726 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.103 7.599 -1.736 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.310 7.895 -0.202 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.562 7.205 -3.625 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.925 7.988 -4.286 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.480 10.316 0.339 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.899 9.671 -3.226 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.651 11.469 0.443 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.334 11.149 -1.318 1.00 0.34 H new ATOM 1218 N GLU A 77 0.320 11.079 -2.667 1.00 0.19 N ATOM 1219 CA GLU A 77 0.144 11.647 -3.996 1.00 0.21 C ATOM 1220 C GLU A 77 1.239 12.651 -4.339 1.00 0.21 C ATOM 1221 O GLU A 77 1.778 12.636 -5.441 1.00 0.27 O ATOM 1222 CB GLU A 77 -1.239 12.300 -4.103 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.531 13.291 -2.983 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.896 13.939 -3.100 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -3.156 14.608 -4.120 1.00 0.82 O ATOM 1226 OE2 GLU A 77 -3.720 13.774 -2.178 1.00 0.74 O ATOM 0 H GLU A 77 -0.445 11.280 -2.023 1.00 0.19 H new ATOM 0 HA GLU A 77 0.218 10.835 -4.719 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -1.316 12.814 -5.061 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -2.001 11.521 -4.096 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.461 12.777 -2.024 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.766 14.067 -2.985 1.00 0.49 H new ATOM 1233 N LEU A 78 1.577 13.510 -3.390 1.00 0.24 N ATOM 1234 CA LEU A 78 2.586 14.533 -3.624 1.00 0.29 C ATOM 1235 C LEU A 78 3.971 14.023 -3.239 1.00 0.25 C ATOM 1236 O LEU A 78 4.966 14.741 -3.336 1.00 0.35 O ATOM 1237 CB LEU A 78 2.225 15.823 -2.869 1.00 0.47 C ATOM 1238 CG LEU A 78 1.963 15.674 -1.365 1.00 0.55 C ATOM 1239 CD1 LEU A 78 3.249 15.836 -0.569 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.917 16.682 -0.908 1.00 1.00 C ATOM 0 H LEU A 78 1.170 13.520 -2.455 1.00 0.24 H new ATOM 0 HA LEU A 78 2.609 14.766 -4.688 1.00 0.29 H new ATOM 0 HB2 LEU A 78 3.035 16.539 -3.007 1.00 0.47 H new ATOM 0 HB3 LEU A 78 1.337 16.254 -3.331 1.00 0.47 H new ATOM 0 HG LEU A 78 1.581 14.670 -1.183 1.00 0.55 H new ATOM 0 HD11 LEU A 78 3.035 15.726 0.494 1.00 1.12 H new ATOM 0 HD12 LEU A 78 3.965 15.074 -0.876 1.00 1.12 H new ATOM 0 HD13 LEU A 78 3.669 16.825 -0.754 1.00 1.12 H new ATOM 0 HD21 LEU A 78 0.741 16.565 0.161 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.273 17.692 -1.108 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -0.014 16.512 -1.449 1.00 1.00 H new ATOM 1252 N LEU A 79 4.026 12.768 -2.815 1.00 0.20 N ATOM 1253 CA LEU A 79 5.282 12.151 -2.420 1.00 0.20 C ATOM 1254 C LEU A 79 5.847 11.285 -3.548 1.00 0.20 C ATOM 1255 O LEU A 79 7.063 11.167 -3.698 1.00 0.22 O ATOM 1256 CB LEU A 79 5.069 11.296 -1.168 1.00 0.22 C ATOM 1257 CG LEU A 79 5.687 11.844 0.121 1.00 0.38 C ATOM 1258 CD1 LEU A 79 5.016 13.140 0.538 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.590 10.813 1.234 1.00 0.75 C ATOM 0 H LEU A 79 3.213 12.157 -2.736 1.00 0.20 H new ATOM 0 HA LEU A 79 5.999 12.943 -2.204 1.00 0.20 H new ATOM 0 HB2 LEU A 79 3.997 11.173 -1.012 1.00 0.22 H new ATOM 0 HB3 LEU A 79 5.480 10.304 -1.353 1.00 0.22 H new ATOM 0 HG LEU A 79 6.739 12.055 -0.070 1.00 0.38 H new ATOM 0 HD11 LEU A 79 5.474 13.508 1.456 1.00 0.79 H new ATOM 0 HD12 LEU A 79 5.137 13.883 -0.251 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.954 12.962 0.708 1.00 0.79 H new ATOM 0 HD21 LEU A 79 6.034 11.217 2.144 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.543 10.572 1.417 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.124 9.909 0.940 1.00 0.75 H new ATOM 1271 N GLY A 80 4.964 10.713 -4.360 1.00 0.20 N ATOM 1272 CA GLY A 80 5.403 9.821 -5.422 1.00 0.22 C ATOM 1273 C GLY A 80 4.508 8.602 -5.550 1.00 0.19 C ATOM 1274 O GLY A 80 4.493 7.946 -6.595 1.00 0.22 O ATOM 0 H GLY A 80 3.955 10.849 -4.304 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.415 10.362 -6.368 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.426 9.500 -5.226 1.00 0.22 H new ATOM 1278 N GLU A 81 3.773 8.312 -4.469 1.00 0.17 N ATOM 1279 CA GLU A 81 2.766 7.245 -4.415 1.00 0.20 C ATOM 1280 C GLU A 81 3.209 5.942 -5.104 1.00 0.16 C ATOM 1281 O GLU A 81 4.282 5.424 -4.803 1.00 0.17 O ATOM 1282 CB GLU A 81 1.408 7.751 -4.942 1.00 0.33 C ATOM 1283 CG GLU A 81 1.472 8.564 -6.224 1.00 0.48 C ATOM 1284 CD GLU A 81 0.099 8.900 -6.771 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.620 7.975 -7.199 1.00 0.58 O ATOM 1286 OE2 GLU A 81 -0.271 10.093 -6.777 1.00 0.41 O ATOM 0 H GLU A 81 3.863 8.822 -3.591 1.00 0.17 H new ATOM 0 HA GLU A 81 2.648 6.980 -3.364 1.00 0.20 H new ATOM 0 HB2 GLU A 81 0.758 6.892 -5.108 1.00 0.33 H new ATOM 0 HB3 GLU A 81 0.940 8.360 -4.168 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.020 9.487 -6.037 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.032 8.007 -6.975 1.00 0.48 H new ATOM 1293 N LEU A 82 2.373 5.439 -6.020 1.00 0.16 N ATOM 1294 CA LEU A 82 2.530 4.115 -6.649 1.00 0.18 C ATOM 1295 C LEU A 82 3.986 3.753 -6.978 1.00 0.16 C ATOM 1296 O LEU A 82 4.481 2.704 -6.562 1.00 0.20 O ATOM 1297 CB LEU A 82 1.677 4.018 -7.926 1.00 0.24 C ATOM 1298 CG LEU A 82 2.119 4.864 -9.126 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.276 4.533 -10.344 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.020 6.343 -8.806 1.00 1.19 C ATOM 0 H LEU A 82 1.553 5.946 -6.353 1.00 0.16 H new ATOM 0 HA LEU A 82 2.185 3.395 -5.907 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.653 2.974 -8.238 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.655 4.298 -7.672 1.00 0.24 H new ATOM 0 HG LEU A 82 3.160 4.629 -9.345 1.00 0.28 H new ATOM 0 HD11 LEU A 82 1.601 5.141 -11.188 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.392 3.478 -10.591 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.228 4.742 -10.129 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.338 6.925 -9.671 1.00 1.19 H new ATOM 0 HD22 LEU A 82 0.988 6.594 -8.560 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.662 6.575 -7.956 1.00 1.19 H new ATOM 1312 N ASP A 83 4.679 4.619 -7.702 1.00 0.20 N ATOM 1313 CA ASP A 83 6.045 4.329 -8.121 1.00 0.24 C ATOM 1314 C ASP A 83 7.028 4.923 -7.135 1.00 0.26 C ATOM 1315 O ASP A 83 7.608 5.982 -7.357 1.00 0.56 O ATOM 1316 CB ASP A 83 6.312 4.851 -9.536 1.00 0.34 C ATOM 1317 CG ASP A 83 7.716 4.539 -10.020 1.00 1.21 C ATOM 1318 OD1 ASP A 83 8.032 3.346 -10.219 1.00 1.72 O ATOM 1319 OD2 ASP A 83 8.513 5.485 -10.207 1.00 2.00 O ATOM 0 H ASP A 83 4.322 5.523 -8.011 1.00 0.20 H new ATOM 0 HA ASP A 83 6.176 3.247 -8.138 1.00 0.24 H new ATOM 0 HB2 ASP A 83 5.589 4.412 -10.223 1.00 0.34 H new ATOM 0 HB3 ASP A 83 6.156 5.930 -9.556 1.00 0.34 H new ATOM 1324 N TYR A 84 7.143 4.263 -6.003 1.00 0.21 N ATOM 1325 CA TYR A 84 8.078 4.648 -4.984 1.00 0.19 C ATOM 1326 C TYR A 84 9.200 3.636 -4.900 1.00 0.21 C ATOM 1327 O TYR A 84 8.960 2.437 -4.926 1.00 0.33 O ATOM 1328 CB TYR A 84 7.372 4.741 -3.638 1.00 0.19 C ATOM 1329 CG TYR A 84 7.440 6.112 -3.029 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.654 6.699 -2.715 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.281 6.819 -2.768 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.711 7.957 -2.157 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.325 8.074 -2.212 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.593 8.638 -1.905 1.00 0.25 C ATOM 1335 OH TYR A 84 7.565 9.898 -1.361 1.00 0.30 O ATOM 0 H TYR A 84 6.585 3.442 -5.769 1.00 0.21 H new ATOM 0 HA TYR A 84 8.494 5.623 -5.240 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.327 4.457 -3.762 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.818 4.022 -2.950 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.570 6.162 -2.911 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.325 6.377 -3.005 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.670 8.395 -1.922 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.415 8.621 -2.012 1.00 0.21 H new ATOM 0 HH TYR A 84 8.374 10.385 -1.622 1.00 0.30 H new ATOM 1345 N GLN A 85 10.419 4.116 -4.773 1.00 0.27 N ATOM 1346 CA GLN A 85 11.558 3.237 -4.549 1.00 0.28 C ATOM 1347 C GLN A 85 11.672 2.933 -3.058 1.00 0.24 C ATOM 1348 O GLN A 85 12.702 2.454 -2.588 1.00 0.28 O ATOM 1349 CB GLN A 85 12.857 3.864 -5.086 1.00 0.40 C ATOM 1350 CG GLN A 85 13.364 5.081 -4.314 1.00 0.70 C ATOM 1351 CD GLN A 85 12.326 6.173 -4.170 1.00 0.77 C ATOM 1352 OE1 GLN A 85 12.180 7.027 -5.039 1.00 1.74 O ATOM 1353 NE2 GLN A 85 11.610 6.161 -3.057 1.00 0.74 N ATOM 0 H GLN A 85 10.651 5.108 -4.820 1.00 0.27 H new ATOM 0 HA GLN A 85 11.401 2.306 -5.093 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.637 3.102 -5.083 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.698 4.154 -6.125 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.688 4.765 -3.323 1.00 0.70 H new ATOM 0 HG3 GLN A 85 14.239 5.486 -4.822 1.00 0.70 H new ATOM 0 HE21 GLN A 85 11.763 5.432 -2.360 1.00 0.74 H new ATOM 0 HE22 GLN A 85 10.905 6.880 -2.896 1.00 0.74 H new ATOM 1362 N LEU A 86 10.571 3.212 -2.338 1.00 0.22 N ATOM 1363 CA LEU A 86 10.459 2.993 -0.889 1.00 0.24 C ATOM 1364 C LEU A 86 11.421 3.867 -0.097 1.00 0.30 C ATOM 1365 O LEU A 86 12.463 4.292 -0.594 1.00 0.34 O ATOM 1366 CB LEU A 86 10.688 1.520 -0.518 1.00 0.25 C ATOM 1367 CG LEU A 86 9.619 0.538 -0.979 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.241 1.019 -0.554 1.00 0.75 C ATOM 1369 CD2 LEU A 86 9.705 0.334 -2.480 1.00 0.86 C ATOM 0 H LEU A 86 9.724 3.601 -2.753 1.00 0.22 H new ATOM 0 HA LEU A 86 9.440 3.273 -0.623 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.645 1.206 -0.935 1.00 0.25 H new ATOM 0 HB3 LEU A 86 10.774 1.449 0.566 1.00 0.25 H new ATOM 0 HG LEU A 86 9.792 -0.428 -0.504 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.487 0.307 -0.890 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.203 1.101 0.532 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.043 1.994 -0.999 1.00 0.75 H new ATOM 0 HD21 LEU A 86 8.935 -0.370 -2.796 1.00 0.86 H new ATOM 0 HD22 LEU A 86 9.554 1.288 -2.986 1.00 0.86 H new ATOM 0 HD23 LEU A 86 10.687 -0.062 -2.738 1.00 0.86 H new ATOM 1381 N GLN A 87 11.035 4.159 1.129 1.00 0.39 N ATOM 1382 CA GLN A 87 11.907 4.820 2.076 1.00 0.51 C ATOM 1383 C GLN A 87 12.001 3.947 3.315 1.00 0.76 C ATOM 1384 O GLN A 87 11.109 3.138 3.576 1.00 1.74 O ATOM 1385 CB GLN A 87 11.374 6.210 2.433 1.00 0.46 C ATOM 1386 CG GLN A 87 11.045 7.059 1.217 1.00 0.86 C ATOM 1387 CD GLN A 87 9.559 7.333 1.076 1.00 0.65 C ATOM 1388 OE1 GLN A 87 9.056 8.358 1.542 1.00 1.18 O ATOM 1389 NE2 GLN A 87 8.847 6.404 0.456 1.00 0.48 N ATOM 0 H GLN A 87 10.108 3.944 1.496 1.00 0.39 H new ATOM 0 HA GLN A 87 12.895 4.958 1.637 1.00 0.51 H new ATOM 0 HB2 GLN A 87 10.478 6.102 3.045 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.114 6.730 3.041 1.00 0.46 H new ATOM 0 HG2 GLN A 87 11.580 8.006 1.286 1.00 0.86 H new ATOM 0 HG3 GLN A 87 11.404 6.555 0.320 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.306 5.572 0.086 1.00 0.48 H new ATOM 0 HE22 GLN A 87 7.839 6.521 0.348 1.00 0.48 H new ATOM 1398 N ASP A 88 13.077 4.076 4.067 1.00 0.43 N ATOM 1399 CA ASP A 88 13.262 3.237 5.234 1.00 0.40 C ATOM 1400 C ASP A 88 12.239 3.588 6.304 1.00 0.32 C ATOM 1401 O ASP A 88 12.003 4.763 6.598 1.00 0.36 O ATOM 1402 CB ASP A 88 14.690 3.350 5.781 1.00 0.56 C ATOM 1403 CG ASP A 88 15.026 4.730 6.307 1.00 1.40 C ATOM 1404 OD1 ASP A 88 15.048 5.684 5.504 1.00 2.44 O ATOM 1405 OD2 ASP A 88 15.226 4.874 7.531 1.00 1.53 O ATOM 0 H ASP A 88 13.827 4.745 3.894 1.00 0.43 H new ATOM 0 HA ASP A 88 13.108 2.200 4.935 1.00 0.40 H new ATOM 0 HB2 ASP A 88 14.823 2.622 6.581 1.00 0.56 H new ATOM 0 HB3 ASP A 88 15.395 3.089 4.992 1.00 0.56 H new ATOM 1410 N GLN A 89 11.614 2.546 6.846 1.00 0.31 N ATOM 1411 CA GLN A 89 10.569 2.677 7.862 1.00 0.34 C ATOM 1412 C GLN A 89 9.294 3.281 7.274 1.00 0.34 C ATOM 1413 O GLN A 89 8.488 3.868 8.001 1.00 0.42 O ATOM 1414 CB GLN A 89 11.047 3.513 9.057 1.00 0.40 C ATOM 1415 CG GLN A 89 12.215 2.901 9.820 1.00 0.62 C ATOM 1416 CD GLN A 89 11.921 1.504 10.333 1.00 0.77 C ATOM 1417 OE1 GLN A 89 11.393 1.328 11.432 1.00 1.56 O ATOM 1418 NE2 GLN A 89 12.289 0.499 9.555 1.00 0.71 N ATOM 0 H GLN A 89 11.819 1.580 6.592 1.00 0.31 H new ATOM 0 HA GLN A 89 10.343 1.672 8.217 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.338 4.501 8.701 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.213 3.654 9.744 1.00 0.40 H new ATOM 0 HG2 GLN A 89 13.089 2.867 9.169 1.00 0.62 H new ATOM 0 HG3 GLN A 89 12.469 3.545 10.662 1.00 0.62 H new ATOM 0 HE21 GLN A 89 12.723 0.686 8.651 1.00 0.71 H new ATOM 0 HE22 GLN A 89 12.138 -0.463 9.859 1.00 0.71 H new ATOM 1427 N ASP A 90 9.109 3.126 5.961 1.00 0.30 N ATOM 1428 CA ASP A 90 7.874 3.559 5.307 1.00 0.34 C ATOM 1429 C ASP A 90 6.674 2.902 5.956 1.00 0.32 C ATOM 1430 O ASP A 90 6.540 1.680 5.920 1.00 0.45 O ATOM 1431 CB ASP A 90 7.851 3.200 3.814 1.00 0.45 C ATOM 1432 CG ASP A 90 8.266 4.327 2.905 1.00 0.75 C ATOM 1433 OD1 ASP A 90 8.334 5.480 3.370 1.00 1.17 O ATOM 1434 OD2 ASP A 90 8.510 4.050 1.711 1.00 1.06 O ATOM 0 H ASP A 90 9.795 2.706 5.334 1.00 0.30 H new ATOM 0 HA ASP A 90 7.833 4.643 5.416 1.00 0.34 H new ATOM 0 HB2 ASP A 90 8.511 2.349 3.645 1.00 0.45 H new ATOM 0 HB3 ASP A 90 6.845 2.881 3.543 1.00 0.45 H new ATOM 1439 N SER A 91 5.814 3.693 6.570 1.00 0.23 N ATOM 1440 CA SER A 91 4.545 3.176 7.013 1.00 0.21 C ATOM 1441 C SER A 91 3.510 3.514 5.964 1.00 0.17 C ATOM 1442 O SER A 91 2.993 4.627 5.922 1.00 0.17 O ATOM 1443 CB SER A 91 4.153 3.760 8.365 1.00 0.25 C ATOM 1444 OG SER A 91 3.005 3.114 8.891 1.00 1.14 O ATOM 0 H SER A 91 5.972 4.681 6.769 1.00 0.23 H new ATOM 0 HA SER A 91 4.613 2.096 7.141 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.984 3.656 9.063 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.957 4.827 8.260 1.00 0.25 H new ATOM 0 HG SER A 91 2.777 3.508 9.759 1.00 1.14 H new ATOM 1450 N ILE A 92 3.252 2.559 5.097 1.00 0.17 N ATOM 1451 CA ILE A 92 2.333 2.755 3.997 1.00 0.15 C ATOM 1452 C ILE A 92 0.938 2.364 4.448 1.00 0.14 C ATOM 1453 O ILE A 92 0.640 1.187 4.625 1.00 0.17 O ATOM 1454 CB ILE A 92 2.745 1.914 2.766 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.262 2.021 2.512 1.00 0.19 C ATOM 1456 CG2 ILE A 92 1.960 2.349 1.535 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.765 3.435 2.301 1.00 0.21 C ATOM 0 H ILE A 92 3.671 1.630 5.134 1.00 0.17 H new ATOM 0 HA ILE A 92 2.353 3.805 3.704 1.00 0.15 H new ATOM 0 HB ILE A 92 2.510 0.870 2.972 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.791 1.583 3.358 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.514 1.424 1.635 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.263 1.747 0.679 1.00 0.19 H new ATOM 0 HG22 ILE A 92 0.894 2.212 1.716 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.161 3.400 1.328 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.841 3.417 2.130 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.267 3.873 1.436 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.549 4.034 3.186 1.00 0.21 H new ATOM 1469 N LEU A 93 0.092 3.356 4.643 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.215 3.137 5.237 1.00 0.14 C ATOM 1471 C LEU A 93 -2.325 3.494 4.258 1.00 0.14 C ATOM 1472 O LEU A 93 -2.341 4.592 3.707 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.346 3.982 6.505 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.053 3.287 7.669 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.485 4.291 8.720 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.243 2.498 7.166 1.00 0.56 C ATOM 0 H LEU A 93 0.286 4.327 4.398 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.311 2.081 5.488 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.349 4.281 6.830 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.889 4.895 6.262 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.348 2.597 8.133 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -2.985 3.770 9.537 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.610 4.814 9.105 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -3.171 5.011 8.275 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -3.736 2.009 8.006 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -3.945 3.172 6.675 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -2.905 1.744 6.454 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.249 2.564 4.055 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.414 2.809 3.216 1.00 0.14 C ATOM 1490 C PHE A 94 -5.618 3.189 4.083 1.00 0.13 C ATOM 1491 O PHE A 94 -6.099 2.384 4.882 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.750 1.558 2.390 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.641 1.101 1.479 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.519 0.477 1.998 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.714 1.303 0.108 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.495 0.059 1.168 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.694 0.887 -0.724 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.606 0.247 -0.212 1.00 0.33 C ATOM 0 H PHE A 94 -3.213 1.629 4.462 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.184 3.632 2.539 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -5.004 0.745 3.070 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.637 1.760 1.790 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.443 0.315 3.063 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.580 1.792 -0.313 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.615 -0.410 1.584 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -2.759 1.070 -1.786 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.831 -0.114 -0.871 1.00 0.33 H new ATOM 1508 N ILE A 95 -6.109 4.408 3.915 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.230 4.907 4.702 1.00 0.17 C ATOM 1510 C ILE A 95 -8.412 5.219 3.799 1.00 0.18 C ATOM 1511 O ILE A 95 -8.381 6.172 3.027 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.877 6.180 5.518 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.765 5.904 6.536 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -8.109 6.719 6.233 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -4.382 5.875 5.933 1.00 1.16 C ATOM 0 H ILE A 95 -5.746 5.076 3.235 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.483 4.116 5.407 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.517 6.929 4.813 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -5.797 6.669 7.312 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.959 4.948 7.023 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.840 7.611 6.799 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.874 6.972 5.499 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.496 5.960 6.913 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -3.649 5.675 6.714 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -4.331 5.091 5.177 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -4.166 6.838 5.471 1.00 1.16 H new ATOM 1527 N SER A 96 -9.445 4.401 3.887 1.00 0.20 N ATOM 1528 CA SER A 96 -10.650 4.622 3.119 1.00 0.24 C ATOM 1529 C SER A 96 -11.427 5.801 3.688 1.00 0.28 C ATOM 1530 O SER A 96 -11.878 5.767 4.836 1.00 0.35 O ATOM 1531 CB SER A 96 -11.516 3.361 3.115 1.00 0.31 C ATOM 1532 OG SER A 96 -12.699 3.550 2.358 1.00 0.37 O ATOM 0 H SER A 96 -9.470 3.576 4.486 1.00 0.20 H new ATOM 0 HA SER A 96 -10.373 4.853 2.090 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.947 2.528 2.702 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.776 3.093 4.139 1.00 0.31 H new ATOM 0 HG SER A 96 -13.231 2.727 2.372 1.00 0.37 H new ATOM 1538 N THR A 97 -11.567 6.844 2.888 1.00 0.27 N ATOM 1539 CA THR A 97 -12.278 8.031 3.311 1.00 0.36 C ATOM 1540 C THR A 97 -13.635 8.110 2.601 1.00 0.48 C ATOM 1541 O THR A 97 -14.324 9.133 2.643 1.00 0.58 O ATOM 1542 CB THR A 97 -11.437 9.308 3.048 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.964 10.420 3.787 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.401 9.658 1.565 1.00 0.35 C ATOM 0 H THR A 97 -11.195 6.890 1.939 1.00 0.27 H new ATOM 0 HA THR A 97 -12.451 7.968 4.385 1.00 0.36 H new ATOM 0 HB THR A 97 -10.420 9.100 3.380 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.935 10.464 3.663 1.00 0.43 H new ATOM 0 HG21 THR A 97 -10.803 10.558 1.418 1.00 0.35 H new ATOM 0 HG22 THR A 97 -10.958 8.833 1.007 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.416 9.834 1.208 1.00 0.35 H new ATOM 1552 N LEU A 98 -14.013 7.003 1.959 1.00 0.53 N ATOM 1553 CA LEU A 98 -15.281 6.909 1.246 1.00 0.70 C ATOM 1554 C LEU A 98 -16.466 7.072 2.189 1.00 0.79 C ATOM 1555 O LEU A 98 -16.804 6.163 2.948 1.00 1.27 O ATOM 1556 CB LEU A 98 -15.385 5.569 0.515 1.00 0.98 C ATOM 1557 CG LEU A 98 -14.596 5.475 -0.791 1.00 0.82 C ATOM 1558 CD1 LEU A 98 -14.563 4.041 -1.297 1.00 0.94 C ATOM 1559 CD2 LEU A 98 -15.209 6.394 -1.841 1.00 1.09 C ATOM 0 H LEU A 98 -13.450 6.153 1.921 1.00 0.53 H new ATOM 0 HA LEU A 98 -15.309 7.721 0.519 1.00 0.70 H new ATOM 0 HB2 LEU A 98 -15.042 4.781 1.185 1.00 0.98 H new ATOM 0 HB3 LEU A 98 -16.435 5.371 0.301 1.00 0.98 H new ATOM 0 HG LEU A 98 -13.571 5.793 -0.600 1.00 0.82 H new ATOM 0 HD11 LEU A 98 -13.997 3.996 -2.227 1.00 0.94 H new ATOM 0 HD12 LEU A 98 -14.088 3.403 -0.552 1.00 0.94 H new ATOM 0 HD13 LEU A 98 -15.581 3.694 -1.475 1.00 0.94 H new ATOM 0 HD21 LEU A 98 -14.639 6.319 -2.767 1.00 1.09 H new ATOM 0 HD22 LEU A 98 -16.242 6.098 -2.025 1.00 1.09 H new ATOM 0 HD23 LEU A 98 -15.185 7.423 -1.482 1.00 1.09 H new ATOM 1571 N HIS A 99 -17.088 8.235 2.138 1.00 1.41 N ATOM 1572 CA HIS A 99 -18.250 8.513 2.966 1.00 1.74 C ATOM 1573 C HIS A 99 -19.510 8.524 2.115 1.00 2.61 C ATOM 1574 O HIS A 99 -20.617 8.350 2.620 1.00 3.47 O ATOM 1575 CB HIS A 99 -18.092 9.854 3.686 1.00 2.60 C ATOM 1576 CG HIS A 99 -16.948 9.894 4.652 1.00 3.33 C ATOM 1577 ND1 HIS A 99 -15.948 10.840 4.601 1.00 4.18 N ATOM 1578 CD2 HIS A 99 -16.653 9.096 5.704 1.00 3.94 C ATOM 1579 CE1 HIS A 99 -15.090 10.624 5.581 1.00 5.03 C ATOM 1580 NE2 HIS A 99 -15.494 9.571 6.265 1.00 4.93 N ATOM 0 H HIS A 99 -16.808 9.005 1.531 1.00 1.41 H new ATOM 0 HA HIS A 99 -18.334 7.726 3.715 1.00 1.74 H new ATOM 0 HB2 HIS A 99 -17.955 10.640 2.943 1.00 2.60 H new ATOM 0 HB3 HIS A 99 -19.015 10.079 4.221 1.00 2.60 H new ATOM 0 HD2 HIS A 99 -17.224 8.243 6.040 1.00 3.94 H new ATOM 0 HE1 HIS A 99 -14.207 11.210 5.788 1.00 5.03 H new ATOM 0 HE2 HIS A 99 -15.022 9.175 7.078 1.00 4.93 H new ATOM 1589 N GLY A 100 -19.332 8.725 0.818 1.00 3.03 N ATOM 1590 CA GLY A 100 -20.458 8.730 -0.093 1.00 4.27 C ATOM 1591 C GLY A 100 -20.043 8.429 -1.518 1.00 4.88 C ATOM 1592 O GLY A 100 -20.790 7.800 -2.273 1.00 5.56 O ATOM 0 H GLY A 100 -18.425 8.885 0.379 1.00 3.03 H new ATOM 0 HA2 GLY A 100 -21.191 7.992 0.234 1.00 4.27 H new ATOM 0 HA3 GLY A 100 -20.948 9.703 -0.057 1.00 4.27 H new ATOM 1596 N GLY A 101 -18.849 8.871 -1.883 1.00 5.05 N ATOM 1597 CA GLY A 101 -18.353 8.651 -3.223 1.00 6.01 C ATOM 1598 C GLY A 101 -17.402 9.746 -3.643 1.00 6.44 C ATOM 1599 O GLY A 101 -16.685 10.277 -2.766 1.00 6.66 O ATOM 1600 OXT GLY A 101 -17.382 10.097 -4.841 1.00 6.91 O ATOM 0 H GLY A 101 -18.212 9.381 -1.270 1.00 5.05 H new ATOM 0 HA2 GLY A 101 -17.846 7.687 -3.272 1.00 6.01 H new ATOM 0 HA3 GLY A 101 -19.190 8.606 -3.920 1.00 6.01 H new TER 1604 GLY A 101