USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 710 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 71 ASN : amide:sc= -0.0359 X(o=-0.036,f=-0.036) USER MOD Set 1.2: A 72 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 43 LYS NZ :NH3+ 143:sc= 0.122 (180deg=-0.0355) USER MOD Set 2.2: A 47 GLN : amide:sc= 0.0928 K(o=0.21,f=-0.89) USER MOD Single : A 22 THR OG1 : rot 32:sc= 0.275 USER MOD Single : A 25 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=-0.46) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -119:sc= 0.282 USER MOD Single : A 30 GLN : amide:sc= -2.44! K(o=-2.4!,f=-3.4) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 36 ASN : amide:sc= 0.0307 X(o=0.031,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -25:sc= 0.76 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.64 K(o=-2.6,f=-0.61) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 82 GLN : amide:sc= -0.138 K(o=-0.14,f=-2.3!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.475 USER MOD Single : A 86 GLN : amide:sc=-0.00129 X(o=-0.0013,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.0612 X(o=-0.061,f=-0.17) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.4!) USER MOD Single : A 100 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.8!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 55:sc= 0.0535 USER MOD Single : A 111 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.5) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 22 6.310 6.288 -3.005 1.00 22.44 N ATOM 2 CA THR A 22 6.423 5.090 -3.828 1.00 52.41 C ATOM 3 C THR A 22 5.060 4.443 -4.047 1.00 1.15 C ATOM 4 O THR A 22 4.770 3.363 -3.533 1.00 33.43 O ATOM 5 CB THR A 22 7.373 4.058 -3.192 1.00 13.22 C ATOM 6 OG1 THR A 22 8.564 4.707 -2.732 1.00 71.43 O ATOM 7 CG2 THR A 22 7.735 2.969 -4.190 1.00 30.22 C ATOM 0 HA THR A 22 6.832 5.404 -4.788 1.00 52.41 H new ATOM 0 HB THR A 22 6.861 3.598 -2.347 1.00 13.22 H new ATOM 0 HG1 THR A 22 8.349 5.619 -2.445 1.00 71.43 H new ATOM 0 HG21 THR A 22 8.407 2.252 -3.718 1.00 30.22 H new ATOM 0 HG22 THR A 22 6.829 2.458 -4.515 1.00 30.22 H new ATOM 0 HG23 THR A 22 8.229 3.416 -5.053 1.00 30.22 H new ATOM 15 N PRO A 23 4.202 5.117 -4.828 1.00 25.35 N ATOM 16 CA PRO A 23 2.856 4.624 -5.133 1.00 12.52 C ATOM 17 C PRO A 23 2.878 3.402 -6.044 1.00 2.00 C ATOM 18 O PRO A 23 3.245 3.479 -7.217 1.00 25.54 O ATOM 19 CB PRO A 23 2.198 5.810 -5.844 1.00 32.41 C ATOM 20 CG PRO A 23 3.332 6.578 -6.428 1.00 44.22 C ATOM 21 CD PRO A 23 4.482 6.410 -5.473 1.00 54.41 C ATOM 0 HA PRO A 23 2.328 4.299 -4.237 1.00 12.52 H new ATOM 0 HB2 PRO A 23 1.507 5.474 -6.618 1.00 32.41 H new ATOM 0 HB3 PRO A 23 1.624 6.420 -5.147 1.00 32.41 H new ATOM 0 HG2 PRO A 23 3.589 6.202 -7.418 1.00 44.22 H new ATOM 0 HG3 PRO A 23 3.072 7.630 -6.544 1.00 44.22 H new ATOM 0 HD2 PRO A 23 5.439 6.400 -5.994 1.00 54.41 H new ATOM 0 HD3 PRO A 23 4.523 7.221 -4.746 1.00 54.41 H new ATOM 29 N PRO A 24 2.476 2.246 -5.495 1.00 12.31 N ATOM 30 CA PRO A 24 2.440 0.985 -6.242 1.00 12.43 C ATOM 31 C PRO A 24 1.348 0.973 -7.306 1.00 51.11 C ATOM 32 O PRO A 24 0.455 1.821 -7.303 1.00 73.25 O ATOM 33 CB PRO A 24 2.145 -0.058 -5.161 1.00 62.45 C ATOM 34 CG PRO A 24 1.440 0.696 -4.088 1.00 10.21 C ATOM 35 CD PRO A 24 2.025 2.082 -4.103 1.00 34.51 C ATOM 0 HA PRO A 24 3.368 0.806 -6.785 1.00 12.43 H new ATOM 0 HB2 PRO A 24 1.525 -0.866 -5.549 1.00 62.45 H new ATOM 0 HB3 PRO A 24 3.063 -0.512 -4.788 1.00 62.45 H new ATOM 0 HG2 PRO A 24 0.366 0.724 -4.272 1.00 10.21 H new ATOM 0 HG3 PRO A 24 1.585 0.222 -3.118 1.00 10.21 H new ATOM 0 HD2 PRO A 24 1.285 2.834 -3.829 1.00 34.51 H new ATOM 0 HD3 PRO A 24 2.852 2.177 -3.399 1.00 34.51 H new ATOM 43 N HIS A 25 1.425 0.006 -8.215 1.00 40.44 N ATOM 44 CA HIS A 25 0.442 -0.117 -9.286 1.00 12.53 C ATOM 45 C HIS A 25 0.373 -1.552 -9.798 1.00 32.12 C ATOM 46 O HIS A 25 1.349 -2.299 -9.718 1.00 34.13 O ATOM 47 CB HIS A 25 0.787 0.831 -10.435 1.00 15.31 C ATOM 48 CG HIS A 25 2.055 0.473 -11.147 1.00 14.01 C ATOM 49 ND1 HIS A 25 3.294 0.513 -10.543 1.00 52.43 N ATOM 50 CD2 HIS A 25 2.270 0.064 -12.419 1.00 45.30 C ATOM 51 CE1 HIS A 25 4.217 0.147 -11.414 1.00 22.30 C ATOM 52 NE2 HIS A 25 3.622 -0.132 -12.560 1.00 3.41 N ATOM 0 H HIS A 25 2.158 -0.704 -8.231 1.00 40.44 H new ATOM 0 HA HIS A 25 -0.534 0.153 -8.883 1.00 12.53 H new ATOM 0 HB2 HIS A 25 -0.034 0.834 -11.152 1.00 15.31 H new ATOM 0 HB3 HIS A 25 0.873 1.845 -10.045 1.00 15.31 H new ATOM 0 HD2 HIS A 25 1.519 -0.081 -13.181 1.00 45.30 H new ATOM 0 HE1 HIS A 25 5.278 0.086 -11.222 1.00 22.30 H new ATOM 0 HE2 HIS A 25 4.091 -0.442 -13.411 1.00 3.41 H new ATOM 60 N THR A 26 -0.787 -1.933 -10.324 1.00 53.40 N ATOM 61 CA THR A 26 -0.984 -3.279 -10.847 1.00 53.52 C ATOM 62 C THR A 26 -1.549 -3.241 -12.262 1.00 74.05 C ATOM 63 O THR A 26 -0.971 -3.812 -13.186 1.00 42.33 O ATOM 64 CB THR A 26 -1.932 -4.097 -9.950 1.00 2.01 C ATOM 65 OG1 THR A 26 -2.849 -3.224 -9.281 1.00 72.15 O ATOM 66 CG2 THR A 26 -1.146 -4.898 -8.923 1.00 34.34 C ATOM 0 H THR A 26 -1.605 -1.328 -10.399 1.00 53.40 H new ATOM 0 HA THR A 26 -0.005 -3.759 -10.862 1.00 53.52 H new ATOM 0 HB THR A 26 -2.487 -4.790 -10.582 1.00 2.01 H new ATOM 0 HG1 THR A 26 -3.449 -3.752 -8.714 1.00 72.15 H new ATOM 0 HG21 THR A 26 -1.836 -5.468 -8.301 1.00 34.34 H new ATOM 0 HG22 THR A 26 -0.470 -5.582 -9.435 1.00 34.34 H new ATOM 0 HG23 THR A 26 -0.568 -4.219 -8.296 1.00 34.34 H new ATOM 74 N GLU A 27 -2.682 -2.565 -12.425 1.00 14.23 N ATOM 75 CA GLU A 27 -3.325 -2.454 -13.729 1.00 41.10 C ATOM 76 C GLU A 27 -3.889 -1.052 -13.940 1.00 40.31 C ATOM 77 O GLU A 27 -4.154 -0.313 -12.992 1.00 14.22 O ATOM 78 CB GLU A 27 -4.443 -3.490 -13.862 1.00 24.44 C ATOM 79 CG GLU A 27 -5.281 -3.646 -12.604 1.00 0.30 C ATOM 80 CD GLU A 27 -6.534 -4.468 -12.836 1.00 11.50 C ATOM 81 OE1 GLU A 27 -6.405 -5.657 -13.193 1.00 22.54 O ATOM 82 OE2 GLU A 27 -7.643 -3.921 -12.661 1.00 72.34 O ATOM 0 H GLU A 27 -3.173 -2.086 -11.670 1.00 14.23 H new ATOM 0 HA GLU A 27 -2.572 -2.643 -14.494 1.00 41.10 H new ATOM 0 HB2 GLU A 27 -5.094 -3.206 -14.689 1.00 24.44 H new ATOM 0 HB3 GLU A 27 -4.005 -4.454 -14.118 1.00 24.44 H new ATOM 0 HG2 GLU A 27 -4.679 -4.119 -11.828 1.00 0.30 H new ATOM 0 HG3 GLU A 27 -5.561 -2.660 -12.234 1.00 0.30 H new ATOM 89 N PRO A 28 -4.076 -0.675 -15.214 1.00 33.42 N ATOM 90 CA PRO A 28 -4.610 0.640 -15.580 1.00 73.33 C ATOM 91 C PRO A 28 -6.084 0.789 -15.217 1.00 23.13 C ATOM 92 O PRO A 28 -6.768 -0.197 -14.944 1.00 14.14 O ATOM 93 CB PRO A 28 -4.427 0.686 -17.099 1.00 51.13 C ATOM 94 CG PRO A 28 -4.417 -0.742 -17.524 1.00 12.14 C ATOM 95 CD PRO A 28 -3.782 -1.505 -16.394 1.00 41.03 C ATOM 0 HA PRO A 28 -4.104 1.447 -15.051 1.00 73.33 H new ATOM 0 HB2 PRO A 28 -5.237 1.236 -17.579 1.00 51.13 H new ATOM 0 HB3 PRO A 28 -3.497 1.186 -17.371 1.00 51.13 H new ATOM 0 HG2 PRO A 28 -5.429 -1.099 -17.716 1.00 12.14 H new ATOM 0 HG3 PRO A 28 -3.853 -0.871 -18.448 1.00 12.14 H new ATOM 0 HD2 PRO A 28 -4.204 -2.505 -16.297 1.00 41.03 H new ATOM 0 HD3 PRO A 28 -2.709 -1.625 -16.543 1.00 41.03 H new ATOM 103 N SER A 29 -6.566 2.028 -15.216 1.00 24.34 N ATOM 104 CA SER A 29 -7.958 2.306 -14.882 1.00 63.02 C ATOM 105 C SER A 29 -8.391 3.657 -15.442 1.00 43.44 C ATOM 106 O SER A 29 -7.975 4.706 -14.951 1.00 13.23 O ATOM 107 CB SER A 29 -8.155 2.283 -13.365 1.00 72.13 C ATOM 108 OG SER A 29 -7.604 1.107 -12.797 1.00 54.41 O ATOM 0 H SER A 29 -6.013 2.855 -15.443 1.00 24.34 H new ATOM 0 HA SER A 29 -8.576 1.530 -15.333 1.00 63.02 H new ATOM 0 HB2 SER A 29 -7.685 3.160 -12.921 1.00 72.13 H new ATOM 0 HB3 SER A 29 -9.218 2.339 -13.132 1.00 72.13 H new ATOM 0 HG SER A 29 -8.314 0.591 -12.361 1.00 54.41 H new ATOM 114 N GLN A 30 -9.228 3.622 -16.474 1.00 11.40 N ATOM 115 CA GLN A 30 -9.717 4.844 -17.102 1.00 72.00 C ATOM 116 C GLN A 30 -11.055 5.266 -16.503 1.00 61.02 C ATOM 117 O GLN A 30 -11.792 6.053 -17.097 1.00 73.44 O ATOM 118 CB GLN A 30 -9.861 4.644 -18.612 1.00 11.13 C ATOM 119 CG GLN A 30 -8.679 3.930 -19.246 1.00 63.13 C ATOM 120 CD GLN A 30 -8.641 4.089 -20.753 1.00 42.54 C ATOM 121 OE1 GLN A 30 -9.566 4.636 -21.355 1.00 1.22 O ATOM 122 NE2 GLN A 30 -7.568 3.612 -21.373 1.00 23.13 N ATOM 0 H GLN A 30 -9.581 2.762 -16.893 1.00 11.40 H new ATOM 0 HA GLN A 30 -8.990 5.635 -16.915 1.00 72.00 H new ATOM 0 HB2 GLN A 30 -10.768 4.073 -18.810 1.00 11.13 H new ATOM 0 HB3 GLN A 30 -9.986 5.616 -19.089 1.00 11.13 H new ATOM 0 HG2 GLN A 30 -7.754 4.318 -18.820 1.00 63.13 H new ATOM 0 HG3 GLN A 30 -8.724 2.870 -18.997 1.00 63.13 H new ATOM 0 HE21 GLN A 30 -6.825 3.166 -20.836 1.00 23.13 H new ATOM 0 HE22 GLN A 30 -7.487 3.692 -22.387 1.00 23.13 H new ATOM 131 N VAL A 31 -11.362 4.738 -15.323 1.00 34.41 N ATOM 132 CA VAL A 31 -12.611 5.060 -14.643 1.00 32.11 C ATOM 133 C VAL A 31 -12.385 5.274 -13.151 1.00 0.14 C ATOM 134 O VAL A 31 -11.493 4.670 -12.554 1.00 14.32 O ATOM 135 CB VAL A 31 -13.659 3.948 -14.838 1.00 15.42 C ATOM 136 CG1 VAL A 31 -13.874 3.670 -16.318 1.00 11.13 C ATOM 137 CG2 VAL A 31 -13.237 2.684 -14.105 1.00 13.12 C ATOM 0 H VAL A 31 -10.763 4.085 -14.818 1.00 34.41 H new ATOM 0 HA VAL A 31 -12.984 5.983 -15.087 1.00 32.11 H new ATOM 0 HB VAL A 31 -14.605 4.286 -14.416 1.00 15.42 H new ATOM 0 HG11 VAL A 31 -14.618 2.882 -16.436 1.00 11.13 H new ATOM 0 HG12 VAL A 31 -14.225 4.576 -16.811 1.00 11.13 H new ATOM 0 HG13 VAL A 31 -12.934 3.352 -16.769 1.00 11.13 H new ATOM 0 HG21 VAL A 31 -13.989 1.909 -14.254 1.00 13.12 H new ATOM 0 HG22 VAL A 31 -12.279 2.340 -14.495 1.00 13.12 H new ATOM 0 HG23 VAL A 31 -13.140 2.896 -13.040 1.00 13.12 H new ATOM 147 N VAL A 32 -13.199 6.138 -12.552 1.00 60.11 N ATOM 148 CA VAL A 32 -13.089 6.431 -11.128 1.00 53.31 C ATOM 149 C VAL A 32 -14.430 6.252 -10.425 1.00 52.33 C ATOM 150 O VAL A 32 -15.476 6.631 -10.954 1.00 13.31 O ATOM 151 CB VAL A 32 -12.584 7.866 -10.888 1.00 43.20 C ATOM 152 CG1 VAL A 32 -11.312 8.124 -11.682 1.00 11.41 C ATOM 153 CG2 VAL A 32 -13.661 8.878 -11.248 1.00 74.41 C ATOM 0 H VAL A 32 -13.942 6.647 -13.031 1.00 60.11 H new ATOM 0 HA VAL A 32 -12.368 5.726 -10.714 1.00 53.31 H new ATOM 0 HB VAL A 32 -12.352 7.978 -9.829 1.00 43.20 H new ATOM 0 HG11 VAL A 32 -10.970 9.143 -11.500 1.00 11.41 H new ATOM 0 HG12 VAL A 32 -10.540 7.421 -11.370 1.00 11.41 H new ATOM 0 HG13 VAL A 32 -11.514 7.994 -12.745 1.00 11.41 H new ATOM 0 HG21 VAL A 32 -13.286 9.886 -11.072 1.00 74.41 H new ATOM 0 HG22 VAL A 32 -13.927 8.768 -12.299 1.00 74.41 H new ATOM 0 HG23 VAL A 32 -14.543 8.706 -10.631 1.00 74.41 H new ATOM 163 N LEU A 33 -14.393 5.673 -9.230 1.00 42.14 N ATOM 164 CA LEU A 33 -15.606 5.444 -8.453 1.00 22.10 C ATOM 165 C LEU A 33 -15.689 6.411 -7.276 1.00 70.40 C ATOM 166 O LEU A 33 -14.850 6.381 -6.375 1.00 62.04 O ATOM 167 CB LEU A 33 -15.645 4.001 -7.946 1.00 53.04 C ATOM 168 CG LEU A 33 -16.406 3.769 -6.640 1.00 72.25 C ATOM 169 CD1 LEU A 33 -17.843 4.251 -6.767 1.00 21.02 C ATOM 170 CD2 LEU A 33 -16.367 2.297 -6.255 1.00 55.22 C ATOM 0 H LEU A 33 -13.536 5.354 -8.778 1.00 42.14 H new ATOM 0 HA LEU A 33 -16.463 5.618 -9.103 1.00 22.10 H new ATOM 0 HB2 LEU A 33 -16.092 3.377 -8.720 1.00 53.04 H new ATOM 0 HB3 LEU A 33 -14.620 3.656 -7.812 1.00 53.04 H new ATOM 0 HG LEU A 33 -15.920 4.343 -5.851 1.00 72.25 H new ATOM 0 HD11 LEU A 33 -18.369 4.078 -5.828 1.00 21.02 H new ATOM 0 HD12 LEU A 33 -17.850 5.317 -6.996 1.00 21.02 H new ATOM 0 HD13 LEU A 33 -18.341 3.704 -7.568 1.00 21.02 H new ATOM 0 HD21 LEU A 33 -16.913 2.150 -5.323 1.00 55.22 H new ATOM 0 HD22 LEU A 33 -16.828 1.702 -7.044 1.00 55.22 H new ATOM 0 HD23 LEU A 33 -15.332 1.983 -6.122 1.00 55.22 H new ATOM 182 N ILE A 34 -16.707 7.264 -7.289 1.00 40.44 N ATOM 183 CA ILE A 34 -16.901 8.237 -6.221 1.00 54.35 C ATOM 184 C ILE A 34 -18.060 7.834 -5.315 1.00 5.40 C ATOM 185 O ILE A 34 -19.021 7.206 -5.759 1.00 20.32 O ATOM 186 CB ILE A 34 -17.171 9.645 -6.785 1.00 3.23 C ATOM 187 CG1 ILE A 34 -18.438 9.641 -7.642 1.00 12.52 C ATOM 188 CG2 ILE A 34 -15.978 10.128 -7.596 1.00 3.32 C ATOM 189 CD1 ILE A 34 -18.163 9.577 -9.128 1.00 23.13 C ATOM 0 H ILE A 34 -17.410 7.301 -8.027 1.00 40.44 H new ATOM 0 HA ILE A 34 -15.979 8.257 -5.641 1.00 54.35 H new ATOM 0 HB ILE A 34 -17.321 10.331 -5.952 1.00 3.23 H new ATOM 0 HG12 ILE A 34 -19.056 8.789 -7.358 1.00 12.52 H new ATOM 0 HG13 ILE A 34 -19.016 10.540 -7.426 1.00 12.52 H new ATOM 0 HG21 ILE A 34 -16.184 11.124 -7.988 1.00 3.32 H new ATOM 0 HG22 ILE A 34 -15.095 10.164 -6.958 1.00 3.32 H new ATOM 0 HG23 ILE A 34 -15.799 9.442 -8.424 1.00 3.32 H new ATOM 0 HD11 ILE A 34 -19.107 9.578 -9.673 1.00 23.13 H new ATOM 0 HD12 ILE A 34 -17.571 10.442 -9.426 1.00 23.13 H new ATOM 0 HD13 ILE A 34 -17.612 8.665 -9.357 1.00 23.13 H new ATOM 201 N THR A 35 -17.963 8.202 -4.041 1.00 44.31 N ATOM 202 CA THR A 35 -19.002 7.880 -3.071 1.00 42.44 C ATOM 203 C THR A 35 -19.151 8.989 -2.036 1.00 44.53 C ATOM 204 O THR A 35 -18.521 10.041 -2.145 1.00 15.01 O ATOM 205 CB THR A 35 -18.703 6.554 -2.347 1.00 2.31 C ATOM 206 OG1 THR A 35 -17.557 6.705 -1.502 1.00 4.31 O ATOM 207 CG2 THR A 35 -18.458 5.435 -3.347 1.00 61.50 C ATOM 0 H THR A 35 -17.175 8.724 -3.657 1.00 44.31 H new ATOM 0 HA THR A 35 -19.934 7.779 -3.628 1.00 42.44 H new ATOM 0 HB THR A 35 -19.570 6.294 -1.740 1.00 2.31 H new ATOM 0 HG1 THR A 35 -17.374 5.858 -1.044 1.00 4.31 H new ATOM 0 HG21 THR A 35 -18.249 4.508 -2.812 1.00 61.50 H new ATOM 0 HG22 THR A 35 -19.343 5.303 -3.969 1.00 61.50 H new ATOM 0 HG23 THR A 35 -17.606 5.690 -3.977 1.00 61.50 H new ATOM 215 N ASN A 36 -19.987 8.747 -1.032 1.00 24.01 N ATOM 216 CA ASN A 36 -20.218 9.726 0.024 1.00 44.43 C ATOM 217 C ASN A 36 -20.880 10.982 -0.535 1.00 13.02 C ATOM 218 O ASN A 36 -20.767 12.064 0.041 1.00 3.42 O ATOM 219 CB ASN A 36 -18.898 10.093 0.706 1.00 61.03 C ATOM 220 CG ASN A 36 -18.991 10.029 2.218 1.00 53.11 C ATOM 221 OD1 ASN A 36 -18.408 9.148 2.850 1.00 12.43 O ATOM 222 ND2 ASN A 36 -19.728 10.965 2.805 1.00 1.11 N ATOM 0 H ASN A 36 -20.516 7.881 -0.927 1.00 24.01 H new ATOM 0 HA ASN A 36 -20.887 9.279 0.759 1.00 44.43 H new ATOM 0 HB2 ASN A 36 -18.115 9.416 0.364 1.00 61.03 H new ATOM 0 HB3 ASN A 36 -18.604 11.099 0.405 1.00 61.03 H new ATOM 0 HD21 ASN A 36 -19.829 10.973 3.820 1.00 1.11 H new ATOM 0 HD22 ASN A 36 -20.193 11.676 2.241 1.00 1.11 H new ATOM 229 N ILE A 37 -21.572 10.829 -1.659 1.00 13.13 N ATOM 230 CA ILE A 37 -22.255 11.950 -2.294 1.00 25.23 C ATOM 231 C ILE A 37 -23.701 12.051 -1.822 1.00 52.15 C ATOM 232 O ILE A 37 -24.403 11.046 -1.721 1.00 32.02 O ATOM 233 CB ILE A 37 -22.234 11.825 -3.829 1.00 22.14 C ATOM 234 CG1 ILE A 37 -22.777 10.460 -4.258 1.00 43.44 C ATOM 235 CG2 ILE A 37 -20.822 12.030 -4.358 1.00 13.03 C ATOM 236 CD1 ILE A 37 -22.976 10.333 -5.752 1.00 73.13 C ATOM 0 H ILE A 37 -21.675 9.940 -2.149 1.00 13.13 H new ATOM 0 HA ILE A 37 -21.717 12.853 -2.004 1.00 25.23 H new ATOM 0 HB ILE A 37 -22.875 12.599 -4.251 1.00 22.14 H new ATOM 0 HG12 ILE A 37 -22.090 9.683 -3.924 1.00 43.44 H new ATOM 0 HG13 ILE A 37 -23.728 10.282 -3.756 1.00 43.44 H new ATOM 0 HG21 ILE A 37 -20.824 11.939 -5.444 1.00 13.03 H new ATOM 0 HG22 ILE A 37 -20.469 13.022 -4.078 1.00 13.03 H new ATOM 0 HG23 ILE A 37 -20.161 11.276 -3.931 1.00 13.03 H new ATOM 0 HD11 ILE A 37 -23.363 9.341 -5.985 1.00 73.13 H new ATOM 0 HD12 ILE A 37 -23.686 11.088 -6.090 1.00 73.13 H new ATOM 0 HD13 ILE A 37 -22.023 10.479 -6.260 1.00 73.13 H new ATOM 248 N ASN A 38 -24.141 13.273 -1.538 1.00 20.42 N ATOM 249 CA ASN A 38 -25.505 13.506 -1.078 1.00 53.05 C ATOM 250 C ASN A 38 -26.494 13.402 -2.236 1.00 12.04 C ATOM 251 O ASN A 38 -26.411 14.132 -3.223 1.00 51.33 O ATOM 252 CB ASN A 38 -25.616 14.883 -0.421 1.00 4.12 C ATOM 253 CG ASN A 38 -26.094 14.801 1.016 1.00 71.01 C ATOM 254 OD1 ASN A 38 -25.327 15.030 1.951 1.00 32.33 O ATOM 255 ND2 ASN A 38 -27.368 14.473 1.197 1.00 30.32 N ATOM 0 H ASN A 38 -23.573 14.116 -1.618 1.00 20.42 H new ATOM 0 HA ASN A 38 -25.750 12.739 -0.343 1.00 53.05 H new ATOM 0 HB2 ASN A 38 -24.644 15.376 -0.450 1.00 4.12 H new ATOM 0 HB3 ASN A 38 -26.305 15.502 -0.995 1.00 4.12 H new ATOM 0 HD21 ASN A 38 -27.747 14.402 2.141 1.00 30.32 H new ATOM 0 HD22 ASN A 38 -27.967 14.292 0.392 1.00 30.32 H new ATOM 262 N PRO A 39 -27.454 12.473 -2.112 1.00 42.12 N ATOM 263 CA PRO A 39 -28.478 12.252 -3.137 1.00 50.04 C ATOM 264 C PRO A 39 -29.470 13.407 -3.224 1.00 34.41 C ATOM 265 O PRO A 39 -30.323 13.438 -4.111 1.00 1.35 O ATOM 266 CB PRO A 39 -29.181 10.976 -2.667 1.00 14.52 C ATOM 267 CG PRO A 39 -28.962 10.945 -1.194 1.00 31.54 C ATOM 268 CD PRO A 39 -27.613 11.567 -0.962 1.00 52.41 C ATOM 0 HA PRO A 39 -28.046 12.174 -4.135 1.00 50.04 H new ATOM 0 HB2 PRO A 39 -30.244 10.997 -2.909 1.00 14.52 H new ATOM 0 HB3 PRO A 39 -28.762 10.093 -3.148 1.00 14.52 H new ATOM 0 HG2 PRO A 39 -29.742 11.499 -0.672 1.00 31.54 H new ATOM 0 HG3 PRO A 39 -28.990 9.923 -0.817 1.00 31.54 H new ATOM 0 HD2 PRO A 39 -27.577 12.108 -0.016 1.00 52.41 H new ATOM 0 HD3 PRO A 39 -26.824 10.816 -0.930 1.00 52.41 H new ATOM 276 N GLU A 40 -29.353 14.353 -2.298 1.00 25.13 N ATOM 277 CA GLU A 40 -30.241 15.509 -2.271 1.00 4.14 C ATOM 278 C GLU A 40 -30.292 16.188 -3.636 1.00 44.13 C ATOM 279 O GLU A 40 -31.292 16.808 -3.997 1.00 73.11 O ATOM 280 CB GLU A 40 -29.780 16.509 -1.208 1.00 43.44 C ATOM 281 CG GLU A 40 -30.649 16.517 0.038 1.00 43.20 C ATOM 282 CD GLU A 40 -30.318 17.665 0.972 1.00 31.24 C ATOM 283 OE1 GLU A 40 -29.184 17.696 1.494 1.00 2.12 O ATOM 284 OE2 GLU A 40 -31.193 18.531 1.182 1.00 22.22 O ATOM 0 H GLU A 40 -28.652 14.342 -1.557 1.00 25.13 H new ATOM 0 HA GLU A 40 -31.243 15.160 -2.021 1.00 4.14 H new ATOM 0 HB2 GLU A 40 -28.754 16.277 -0.923 1.00 43.44 H new ATOM 0 HB3 GLU A 40 -29.772 17.509 -1.641 1.00 43.44 H new ATOM 0 HG2 GLU A 40 -31.697 16.582 -0.255 1.00 43.20 H new ATOM 0 HG3 GLU A 40 -30.525 15.574 0.569 1.00 43.20 H new ATOM 291 N VAL A 41 -29.205 16.067 -4.392 1.00 4.02 N ATOM 292 CA VAL A 41 -29.124 16.668 -5.718 1.00 33.12 C ATOM 293 C VAL A 41 -29.527 15.671 -6.798 1.00 61.44 C ATOM 294 O VAL A 41 -29.099 14.516 -6.803 1.00 51.20 O ATOM 295 CB VAL A 41 -27.704 17.185 -6.015 1.00 31.41 C ATOM 296 CG1 VAL A 41 -26.687 16.063 -5.872 1.00 22.15 C ATOM 297 CG2 VAL A 41 -27.641 17.798 -7.405 1.00 41.33 C ATOM 0 H VAL A 41 -28.368 15.558 -4.108 1.00 4.02 H new ATOM 0 HA VAL A 41 -29.817 17.509 -5.727 1.00 33.12 H new ATOM 0 HB VAL A 41 -27.459 17.960 -5.289 1.00 31.41 H new ATOM 0 HG11 VAL A 41 -25.689 16.447 -6.086 1.00 22.15 H new ATOM 0 HG12 VAL A 41 -26.716 15.673 -4.854 1.00 22.15 H new ATOM 0 HG13 VAL A 41 -26.926 15.264 -6.573 1.00 22.15 H new ATOM 0 HG21 VAL A 41 -26.631 18.158 -7.598 1.00 41.33 H new ATOM 0 HG22 VAL A 41 -27.906 17.045 -8.147 1.00 41.33 H new ATOM 0 HG23 VAL A 41 -28.341 18.631 -7.467 1.00 41.33 H new ATOM 307 N PRO A 42 -30.370 16.124 -7.738 1.00 4.40 N ATOM 308 CA PRO A 42 -30.848 15.288 -8.843 1.00 11.13 C ATOM 309 C PRO A 42 -29.746 14.968 -9.847 1.00 20.43 C ATOM 310 O PRO A 42 -28.913 15.817 -10.162 1.00 43.32 O ATOM 311 CB PRO A 42 -31.932 16.149 -9.496 1.00 13.04 C ATOM 312 CG PRO A 42 -31.560 17.550 -9.154 1.00 10.51 C ATOM 313 CD PRO A 42 -30.920 17.489 -7.795 1.00 2.14 C ATOM 0 HA PRO A 42 -31.206 14.319 -8.495 1.00 11.13 H new ATOM 0 HB2 PRO A 42 -31.960 15.999 -10.575 1.00 13.04 H new ATOM 0 HB3 PRO A 42 -32.921 15.897 -9.114 1.00 13.04 H new ATOM 0 HG2 PRO A 42 -30.871 17.962 -9.892 1.00 10.51 H new ATOM 0 HG3 PRO A 42 -32.438 18.195 -9.143 1.00 10.51 H new ATOM 0 HD2 PRO A 42 -30.139 18.242 -7.684 1.00 2.14 H new ATOM 0 HD3 PRO A 42 -31.646 17.663 -7.001 1.00 2.14 H new ATOM 321 N LYS A 43 -29.747 13.736 -10.346 1.00 50.44 N ATOM 322 CA LYS A 43 -28.748 13.303 -11.317 1.00 15.15 C ATOM 323 C LYS A 43 -28.582 14.338 -12.425 1.00 23.22 C ATOM 324 O LYS A 43 -27.484 14.530 -12.946 1.00 62.11 O ATOM 325 CB LYS A 43 -29.145 11.954 -11.920 1.00 33.34 C ATOM 326 CG LYS A 43 -28.357 11.589 -13.165 1.00 61.24 C ATOM 327 CD LYS A 43 -28.588 10.142 -13.568 1.00 31.12 C ATOM 328 CE LYS A 43 -28.382 9.939 -15.061 1.00 53.01 C ATOM 329 NZ LYS A 43 -27.012 10.332 -15.491 1.00 25.45 N ATOM 0 H LYS A 43 -30.428 13.020 -10.094 1.00 50.44 H new ATOM 0 HA LYS A 43 -27.795 13.196 -10.798 1.00 15.15 H new ATOM 0 HB2 LYS A 43 -29.005 11.175 -11.170 1.00 33.34 H new ATOM 0 HB3 LYS A 43 -30.207 11.973 -12.165 1.00 33.34 H new ATOM 0 HG2 LYS A 43 -28.646 12.246 -13.985 1.00 61.24 H new ATOM 0 HG3 LYS A 43 -27.294 11.752 -12.985 1.00 61.24 H new ATOM 0 HD2 LYS A 43 -27.906 9.496 -13.015 1.00 31.12 H new ATOM 0 HD3 LYS A 43 -29.601 9.845 -13.296 1.00 31.12 H new ATOM 0 HE2 LYS A 43 -28.555 8.893 -15.312 1.00 53.01 H new ATOM 0 HE3 LYS A 43 -29.118 10.525 -15.612 1.00 53.01 H new ATOM 0 HZ1 LYS A 43 -26.679 9.678 -16.228 1.00 25.45 H new ATOM 0 HZ2 LYS A 43 -27.032 11.300 -15.870 1.00 25.45 H new ATOM 0 HZ3 LYS A 43 -26.368 10.292 -14.676 1.00 25.45 H new ATOM 343 N GLU A 44 -29.678 15.002 -12.778 1.00 62.22 N ATOM 344 CA GLU A 44 -29.651 16.017 -13.824 1.00 40.43 C ATOM 345 C GLU A 44 -28.540 17.032 -13.570 1.00 25.54 C ATOM 346 O GLU A 44 -27.681 17.257 -14.423 1.00 52.00 O ATOM 347 CB GLU A 44 -31.001 16.733 -13.906 1.00 2.33 C ATOM 348 CG GLU A 44 -31.908 16.199 -15.001 1.00 71.02 C ATOM 349 CD GLU A 44 -33.301 16.796 -14.948 1.00 41.00 C ATOM 350 OE1 GLU A 44 -33.478 17.935 -15.428 1.00 63.15 O ATOM 351 OE2 GLU A 44 -34.214 16.123 -14.426 1.00 15.33 O ATOM 0 H GLU A 44 -30.595 14.855 -12.355 1.00 62.22 H new ATOM 0 HA GLU A 44 -29.454 15.518 -14.773 1.00 40.43 H new ATOM 0 HB2 GLU A 44 -31.510 16.641 -12.947 1.00 2.33 H new ATOM 0 HB3 GLU A 44 -30.829 17.796 -14.075 1.00 2.33 H new ATOM 0 HG2 GLU A 44 -31.462 16.412 -15.973 1.00 71.02 H new ATOM 0 HG3 GLU A 44 -31.978 15.115 -14.913 1.00 71.02 H new ATOM 358 N LYS A 45 -28.562 17.641 -12.389 1.00 53.33 N ATOM 359 CA LYS A 45 -27.558 18.631 -12.020 1.00 3.25 C ATOM 360 C LYS A 45 -26.302 17.956 -11.478 1.00 64.23 C ATOM 361 O LYS A 45 -25.182 18.341 -11.818 1.00 61.31 O ATOM 362 CB LYS A 45 -28.122 19.595 -10.973 1.00 74.14 C ATOM 363 CG LYS A 45 -29.491 20.148 -11.332 1.00 45.51 C ATOM 364 CD LYS A 45 -29.597 21.628 -11.004 1.00 43.44 C ATOM 365 CE LYS A 45 -30.756 21.908 -10.060 1.00 40.54 C ATOM 366 NZ LYS A 45 -32.073 21.728 -10.731 1.00 53.51 N ATOM 0 H LYS A 45 -29.265 17.466 -11.671 1.00 53.33 H new ATOM 0 HA LYS A 45 -27.291 19.192 -12.916 1.00 3.25 H new ATOM 0 HB2 LYS A 45 -28.187 19.080 -10.015 1.00 74.14 H new ATOM 0 HB3 LYS A 45 -27.427 20.424 -10.843 1.00 74.14 H new ATOM 0 HG2 LYS A 45 -29.679 19.995 -12.395 1.00 45.51 H new ATOM 0 HG3 LYS A 45 -30.260 19.598 -10.790 1.00 45.51 H new ATOM 0 HD2 LYS A 45 -28.666 21.969 -10.550 1.00 43.44 H new ATOM 0 HD3 LYS A 45 -29.730 22.197 -11.924 1.00 43.44 H new ATOM 0 HE2 LYS A 45 -30.693 21.242 -9.200 1.00 40.54 H new ATOM 0 HE3 LYS A 45 -30.678 22.927 -9.681 1.00 40.54 H new ATOM 0 HZ1 LYS A 45 -32.837 21.928 -10.055 1.00 53.51 H new ATOM 0 HZ2 LYS A 45 -32.144 22.381 -11.537 1.00 53.51 H new ATOM 0 HZ3 LYS A 45 -32.159 20.749 -11.071 1.00 53.51 H new ATOM 380 N LEU A 46 -26.494 16.947 -10.636 1.00 73.43 N ATOM 381 CA LEU A 46 -25.376 16.216 -10.049 1.00 54.01 C ATOM 382 C LEU A 46 -24.417 15.728 -11.130 1.00 31.11 C ATOM 383 O LEU A 46 -23.204 15.907 -11.023 1.00 33.44 O ATOM 384 CB LEU A 46 -25.890 15.029 -9.233 1.00 30.40 C ATOM 385 CG LEU A 46 -25.145 13.708 -9.428 1.00 24.25 C ATOM 386 CD1 LEU A 46 -23.715 13.822 -8.922 1.00 0.14 C ATOM 387 CD2 LEU A 46 -25.874 12.575 -8.720 1.00 64.31 C ATOM 0 H LEU A 46 -27.414 16.616 -10.344 1.00 73.43 H new ATOM 0 HA LEU A 46 -24.835 16.895 -9.390 1.00 54.01 H new ATOM 0 HB2 LEU A 46 -25.848 15.294 -8.177 1.00 30.40 H new ATOM 0 HB3 LEU A 46 -26.940 14.871 -9.480 1.00 30.40 H new ATOM 0 HG LEU A 46 -25.115 13.484 -10.494 1.00 24.25 H new ATOM 0 HD11 LEU A 46 -23.200 12.872 -9.069 1.00 0.14 H new ATOM 0 HD12 LEU A 46 -23.195 14.606 -9.473 1.00 0.14 H new ATOM 0 HD13 LEU A 46 -23.723 14.070 -7.861 1.00 0.14 H new ATOM 0 HD21 LEU A 46 -25.330 11.643 -8.870 1.00 64.31 H new ATOM 0 HD22 LEU A 46 -25.936 12.792 -7.654 1.00 64.31 H new ATOM 0 HD23 LEU A 46 -26.880 12.478 -9.129 1.00 64.31 H new ATOM 399 N GLN A 47 -24.970 15.113 -12.171 1.00 2.32 N ATOM 400 CA GLN A 47 -24.163 14.601 -13.272 1.00 4.22 C ATOM 401 C GLN A 47 -23.457 15.738 -14.004 1.00 23.22 C ATOM 402 O GLN A 47 -22.253 15.677 -14.250 1.00 45.11 O ATOM 403 CB GLN A 47 -25.037 13.814 -14.250 1.00 24.14 C ATOM 404 CG GLN A 47 -24.255 13.178 -15.388 1.00 20.12 C ATOM 405 CD GLN A 47 -25.018 13.190 -16.698 1.00 5.50 C ATOM 406 OE1 GLN A 47 -26.249 13.187 -16.713 1.00 42.20 O ATOM 407 NE2 GLN A 47 -24.288 13.205 -17.808 1.00 12.34 N ATOM 0 H GLN A 47 -25.973 14.957 -12.275 1.00 2.32 H new ATOM 0 HA GLN A 47 -23.406 13.936 -12.856 1.00 4.22 H new ATOM 0 HB2 GLN A 47 -25.567 13.034 -13.704 1.00 24.14 H new ATOM 0 HB3 GLN A 47 -25.792 14.480 -14.667 1.00 24.14 H new ATOM 0 HG2 GLN A 47 -23.311 13.708 -15.517 1.00 20.12 H new ATOM 0 HG3 GLN A 47 -24.009 12.149 -15.124 1.00 20.12 H new ATOM 0 HE21 GLN A 47 -23.270 13.207 -17.749 1.00 12.34 H new ATOM 0 HE22 GLN A 47 -24.746 13.215 -18.719 1.00 12.34 H new ATOM 416 N ALA A 48 -24.215 16.773 -14.349 1.00 44.33 N ATOM 417 CA ALA A 48 -23.661 17.924 -15.052 1.00 12.42 C ATOM 418 C ALA A 48 -22.518 18.552 -14.262 1.00 22.03 C ATOM 419 O ALA A 48 -21.572 19.090 -14.839 1.00 54.24 O ATOM 420 CB ALA A 48 -24.749 18.954 -15.317 1.00 55.01 C ATOM 0 H ALA A 48 -25.214 16.838 -14.153 1.00 44.33 H new ATOM 0 HA ALA A 48 -23.262 17.578 -16.006 1.00 12.42 H new ATOM 0 HB1 ALA A 48 -24.321 19.808 -15.842 1.00 55.01 H new ATOM 0 HB2 ALA A 48 -25.532 18.507 -15.929 1.00 55.01 H new ATOM 0 HB3 ALA A 48 -25.174 19.286 -14.370 1.00 55.01 H new ATOM 426 N LEU A 49 -22.610 18.480 -12.938 1.00 52.35 N ATOM 427 CA LEU A 49 -21.583 19.042 -12.068 1.00 50.43 C ATOM 428 C LEU A 49 -20.313 18.199 -12.110 1.00 43.10 C ATOM 429 O LEU A 49 -19.214 18.721 -12.307 1.00 34.12 O ATOM 430 CB LEU A 49 -22.099 19.136 -10.631 1.00 55.35 C ATOM 431 CG LEU A 49 -22.217 20.546 -10.051 1.00 45.10 C ATOM 432 CD1 LEU A 49 -20.899 21.292 -10.191 1.00 24.13 C ATOM 433 CD2 LEU A 49 -23.340 21.312 -10.734 1.00 10.41 C ATOM 0 H LEU A 49 -23.385 18.038 -12.444 1.00 52.35 H new ATOM 0 HA LEU A 49 -21.345 20.043 -12.428 1.00 50.43 H new ATOM 0 HB2 LEU A 49 -23.080 18.663 -10.587 1.00 55.35 H new ATOM 0 HB3 LEU A 49 -21.436 18.555 -9.989 1.00 55.35 H new ATOM 0 HG LEU A 49 -22.454 20.463 -8.990 1.00 45.10 H new ATOM 0 HD11 LEU A 49 -21.002 22.293 -9.773 1.00 24.13 H new ATOM 0 HD12 LEU A 49 -20.117 20.753 -9.655 1.00 24.13 H new ATOM 0 HD13 LEU A 49 -20.632 21.365 -11.245 1.00 24.13 H new ATOM 0 HD21 LEU A 49 -23.409 22.313 -10.308 1.00 10.41 H new ATOM 0 HD22 LEU A 49 -23.134 21.385 -11.802 1.00 10.41 H new ATOM 0 HD23 LEU A 49 -24.283 20.787 -10.582 1.00 10.41 H new ATOM 445 N LEU A 50 -20.470 16.893 -11.926 1.00 22.10 N ATOM 446 CA LEU A 50 -19.336 15.976 -11.945 1.00 25.31 C ATOM 447 C LEU A 50 -18.542 16.118 -13.240 1.00 20.32 C ATOM 448 O LEU A 50 -17.332 15.890 -13.267 1.00 33.04 O ATOM 449 CB LEU A 50 -19.818 14.533 -11.785 1.00 12.12 C ATOM 450 CG LEU A 50 -20.429 14.176 -10.429 1.00 54.33 C ATOM 451 CD1 LEU A 50 -20.885 12.725 -10.414 1.00 44.32 C ATOM 452 CD2 LEU A 50 -19.432 14.436 -9.310 1.00 11.04 C ATOM 0 H LEU A 50 -21.372 16.445 -11.762 1.00 22.10 H new ATOM 0 HA LEU A 50 -18.683 16.229 -11.110 1.00 25.31 H new ATOM 0 HB2 LEU A 50 -20.558 14.330 -12.559 1.00 12.12 H new ATOM 0 HB3 LEU A 50 -18.975 13.867 -11.968 1.00 12.12 H new ATOM 0 HG LEU A 50 -21.300 14.810 -10.266 1.00 54.33 H new ATOM 0 HD11 LEU A 50 -21.317 12.489 -9.441 1.00 44.32 H new ATOM 0 HD12 LEU A 50 -21.634 12.571 -11.191 1.00 44.32 H new ATOM 0 HD13 LEU A 50 -20.031 12.073 -10.599 1.00 44.32 H new ATOM 0 HD21 LEU A 50 -19.884 14.176 -8.353 1.00 11.04 H new ATOM 0 HD22 LEU A 50 -18.541 13.828 -9.468 1.00 11.04 H new ATOM 0 HD23 LEU A 50 -19.156 15.490 -9.307 1.00 11.04 H new ATOM 464 N TYR A 51 -19.230 16.497 -14.311 1.00 13.34 N ATOM 465 CA TYR A 51 -18.590 16.670 -15.609 1.00 60.21 C ATOM 466 C TYR A 51 -17.736 17.934 -15.632 1.00 22.32 C ATOM 467 O TYR A 51 -16.579 17.907 -16.049 1.00 64.23 O ATOM 468 CB TYR A 51 -19.643 16.733 -16.716 1.00 74.23 C ATOM 469 CG TYR A 51 -19.075 16.540 -18.104 1.00 75.22 C ATOM 470 CD1 TYR A 51 -18.208 17.474 -18.658 1.00 34.33 C ATOM 471 CD2 TYR A 51 -19.405 15.423 -18.862 1.00 34.32 C ATOM 472 CE1 TYR A 51 -17.688 17.302 -19.926 1.00 21.44 C ATOM 473 CE2 TYR A 51 -18.888 15.242 -20.130 1.00 74.41 C ATOM 474 CZ TYR A 51 -18.031 16.184 -20.658 1.00 4.13 C ATOM 475 OH TYR A 51 -17.513 16.008 -21.921 1.00 10.34 O ATOM 0 H TYR A 51 -20.231 16.690 -14.306 1.00 13.34 H new ATOM 0 HA TYR A 51 -17.941 15.812 -15.782 1.00 60.21 H new ATOM 0 HB2 TYR A 51 -20.398 15.968 -16.532 1.00 74.23 H new ATOM 0 HB3 TYR A 51 -20.149 17.698 -16.670 1.00 74.23 H new ATOM 0 HD1 TYR A 51 -17.936 18.350 -18.087 1.00 34.33 H new ATOM 0 HD2 TYR A 51 -20.077 14.684 -18.453 1.00 34.32 H new ATOM 0 HE1 TYR A 51 -17.017 18.039 -20.342 1.00 21.44 H new ATOM 0 HE2 TYR A 51 -19.154 14.367 -20.705 1.00 74.41 H new ATOM 0 HH TYR A 51 -17.853 15.171 -22.300 1.00 10.34 H new ATOM 485 N ALA A 52 -18.316 19.040 -15.179 1.00 11.23 N ATOM 486 CA ALA A 52 -17.609 20.314 -15.144 1.00 1.33 C ATOM 487 C ALA A 52 -16.259 20.174 -14.448 1.00 13.13 C ATOM 488 O ALA A 52 -15.223 20.546 -15.000 1.00 62.50 O ATOM 489 CB ALA A 52 -18.456 21.369 -14.449 1.00 14.45 C ATOM 0 H ALA A 52 -19.274 19.080 -14.831 1.00 11.23 H new ATOM 0 HA ALA A 52 -17.428 20.629 -16.172 1.00 1.33 H new ATOM 0 HB1 ALA A 52 -17.915 22.315 -14.430 1.00 14.45 H new ATOM 0 HB2 ALA A 52 -19.393 21.497 -14.990 1.00 14.45 H new ATOM 0 HB3 ALA A 52 -18.667 21.051 -13.428 1.00 14.45 H new ATOM 495 N LEU A 53 -16.279 19.637 -13.233 1.00 5.21 N ATOM 496 CA LEU A 53 -15.055 19.448 -12.460 1.00 55.53 C ATOM 497 C LEU A 53 -14.111 18.480 -13.165 1.00 5.14 C ATOM 498 O LEU A 53 -12.893 18.661 -13.146 1.00 55.33 O ATOM 499 CB LEU A 53 -15.388 18.928 -11.061 1.00 60.40 C ATOM 500 CG LEU A 53 -16.444 19.715 -10.285 1.00 55.12 C ATOM 501 CD1 LEU A 53 -16.802 18.998 -8.993 1.00 14.03 C ATOM 502 CD2 LEU A 53 -15.953 21.126 -9.996 1.00 65.20 C ATOM 0 H LEU A 53 -17.128 19.325 -12.762 1.00 5.21 H new ATOM 0 HA LEU A 53 -14.556 20.413 -12.372 1.00 55.53 H new ATOM 0 HB2 LEU A 53 -15.726 17.896 -11.150 1.00 60.40 H new ATOM 0 HB3 LEU A 53 -14.470 18.913 -10.473 1.00 60.40 H new ATOM 0 HG LEU A 53 -17.342 19.783 -10.899 1.00 55.12 H new ATOM 0 HD11 LEU A 53 -17.555 19.573 -8.454 1.00 14.03 H new ATOM 0 HD12 LEU A 53 -17.197 18.009 -9.223 1.00 14.03 H new ATOM 0 HD13 LEU A 53 -15.911 18.897 -8.374 1.00 14.03 H new ATOM 0 HD21 LEU A 53 -16.718 21.671 -9.443 1.00 65.20 H new ATOM 0 HD22 LEU A 53 -15.040 21.079 -9.402 1.00 65.20 H new ATOM 0 HD23 LEU A 53 -15.749 21.640 -10.935 1.00 65.20 H new ATOM 514 N ALA A 54 -14.680 17.453 -13.786 1.00 61.32 N ATOM 515 CA ALA A 54 -13.889 16.458 -14.500 1.00 42.33 C ATOM 516 C ALA A 54 -13.130 17.091 -15.662 1.00 12.21 C ATOM 517 O ALA A 54 -11.912 16.954 -15.768 1.00 45.21 O ATOM 518 CB ALA A 54 -14.783 15.333 -15.001 1.00 45.54 C ATOM 0 H ALA A 54 -15.686 17.288 -13.809 1.00 61.32 H new ATOM 0 HA ALA A 54 -13.158 16.044 -13.805 1.00 42.33 H new ATOM 0 HB1 ALA A 54 -14.179 14.597 -15.532 1.00 45.54 H new ATOM 0 HB2 ALA A 54 -15.275 14.855 -14.154 1.00 45.54 H new ATOM 0 HB3 ALA A 54 -15.536 15.740 -15.676 1.00 45.54 H new ATOM 524 N SER A 55 -13.859 17.784 -16.531 1.00 71.34 N ATOM 525 CA SER A 55 -13.255 18.434 -17.688 1.00 51.14 C ATOM 526 C SER A 55 -12.160 19.404 -17.256 1.00 0.41 C ATOM 527 O SER A 55 -11.183 19.616 -17.975 1.00 33.34 O ATOM 528 CB SER A 55 -14.321 19.177 -18.496 1.00 43.14 C ATOM 529 OG SER A 55 -14.917 20.207 -17.728 1.00 13.33 O ATOM 0 H SER A 55 -14.868 17.910 -16.456 1.00 71.34 H new ATOM 0 HA SER A 55 -12.806 17.663 -18.314 1.00 51.14 H new ATOM 0 HB2 SER A 55 -13.871 19.602 -19.393 1.00 43.14 H new ATOM 0 HB3 SER A 55 -15.087 18.475 -18.825 1.00 43.14 H new ATOM 0 HG SER A 55 -14.842 19.990 -16.775 1.00 13.33 H new ATOM 535 N SER A 56 -12.331 19.992 -16.076 1.00 21.11 N ATOM 536 CA SER A 56 -11.360 20.943 -15.548 1.00 1.11 C ATOM 537 C SER A 56 -9.987 20.293 -15.401 1.00 15.25 C ATOM 538 O SER A 56 -8.967 20.979 -15.350 1.00 50.25 O ATOM 539 CB SER A 56 -11.828 21.485 -14.196 1.00 31.42 C ATOM 540 OG SER A 56 -12.258 22.830 -14.306 1.00 43.45 O ATOM 0 H SER A 56 -13.133 19.826 -15.468 1.00 21.11 H new ATOM 0 HA SER A 56 -11.278 21.770 -16.254 1.00 1.11 H new ATOM 0 HB2 SER A 56 -12.644 20.869 -13.817 1.00 31.42 H new ATOM 0 HB3 SER A 56 -11.015 21.418 -13.473 1.00 31.42 H new ATOM 0 HG SER A 56 -12.553 23.152 -13.429 1.00 43.45 H new ATOM 546 N GLN A 57 -9.973 18.966 -15.332 1.00 24.13 N ATOM 547 CA GLN A 57 -8.726 18.223 -15.189 1.00 71.13 C ATOM 548 C GLN A 57 -8.448 17.383 -16.432 1.00 1.32 C ATOM 549 O GLN A 57 -7.567 17.707 -17.227 1.00 63.41 O ATOM 550 CB GLN A 57 -8.782 17.323 -13.953 1.00 55.25 C ATOM 551 CG GLN A 57 -8.831 18.092 -12.643 1.00 32.01 C ATOM 552 CD GLN A 57 -7.462 18.555 -12.186 1.00 64.45 C ATOM 553 OE1 GLN A 57 -7.258 19.733 -11.892 1.00 21.34 O ATOM 554 NE2 GLN A 57 -6.513 17.627 -12.126 1.00 11.35 N ATOM 0 H GLN A 57 -10.809 18.384 -15.373 1.00 24.13 H new ATOM 0 HA GLN A 57 -7.916 18.942 -15.069 1.00 71.13 H new ATOM 0 HB2 GLN A 57 -9.660 16.681 -14.021 1.00 55.25 H new ATOM 0 HB3 GLN A 57 -7.909 16.670 -13.949 1.00 55.25 H new ATOM 0 HG2 GLN A 57 -9.483 18.958 -12.759 1.00 32.01 H new ATOM 0 HG3 GLN A 57 -9.273 17.461 -11.872 1.00 32.01 H new ATOM 0 HE21 GLN A 57 -6.726 16.662 -12.379 1.00 11.35 H new ATOM 0 HE22 GLN A 57 -5.571 17.879 -11.827 1.00 11.35 H new ATOM 563 N GLY A 58 -9.206 16.303 -16.592 1.00 22.41 N ATOM 564 CA GLY A 58 -9.025 15.433 -17.740 1.00 22.05 C ATOM 565 C GLY A 58 -10.284 15.304 -18.574 1.00 1.23 C ATOM 566 O GLY A 58 -11.347 15.787 -18.184 1.00 11.13 O ATOM 0 H GLY A 58 -9.942 16.015 -15.948 1.00 22.41 H new ATOM 0 HA2 GLY A 58 -8.219 15.821 -18.362 1.00 22.05 H new ATOM 0 HA3 GLY A 58 -8.717 14.445 -17.398 1.00 22.05 H new ATOM 570 N ASP A 59 -10.164 14.653 -19.725 1.00 74.13 N ATOM 571 CA ASP A 59 -11.302 14.463 -20.618 1.00 31.44 C ATOM 572 C ASP A 59 -12.208 13.344 -20.112 1.00 12.41 C ATOM 573 O ASP A 59 -11.734 12.345 -19.570 1.00 51.34 O ATOM 574 CB ASP A 59 -10.819 14.144 -22.033 1.00 73.34 C ATOM 575 CG ASP A 59 -10.057 15.295 -22.658 1.00 43.42 C ATOM 576 OD1 ASP A 59 -9.940 16.354 -22.005 1.00 62.22 O ATOM 577 OD2 ASP A 59 -9.576 15.138 -23.800 1.00 2.23 O ATOM 0 H ASP A 59 -9.291 14.248 -20.062 1.00 74.13 H new ATOM 0 HA ASP A 59 -11.875 15.390 -20.639 1.00 31.44 H new ATOM 0 HB2 ASP A 59 -10.180 13.262 -22.005 1.00 73.34 H new ATOM 0 HB3 ASP A 59 -11.676 13.897 -22.659 1.00 73.34 H new ATOM 582 N ILE A 60 -13.513 13.520 -20.291 1.00 40.43 N ATOM 583 CA ILE A 60 -14.485 12.526 -19.853 1.00 43.32 C ATOM 584 C ILE A 60 -15.063 11.763 -21.040 1.00 15.13 C ATOM 585 O ILE A 60 -15.446 12.358 -22.048 1.00 41.21 O ATOM 586 CB ILE A 60 -15.637 13.175 -19.063 1.00 43.12 C ATOM 587 CG1 ILE A 60 -15.086 13.980 -17.885 1.00 2.34 C ATOM 588 CG2 ILE A 60 -16.610 12.112 -18.577 1.00 21.24 C ATOM 589 CD1 ILE A 60 -14.887 15.447 -18.195 1.00 43.25 C ATOM 0 H ILE A 60 -13.921 14.342 -20.736 1.00 40.43 H new ATOM 0 HA ILE A 60 -13.955 11.832 -19.201 1.00 43.32 H new ATOM 0 HB ILE A 60 -16.174 13.856 -19.724 1.00 43.12 H new ATOM 0 HG12 ILE A 60 -15.768 13.885 -17.040 1.00 2.34 H new ATOM 0 HG13 ILE A 60 -14.133 13.550 -17.576 1.00 2.34 H new ATOM 0 HG21 ILE A 60 -17.419 12.586 -18.020 1.00 21.24 H new ATOM 0 HG22 ILE A 60 -17.023 11.578 -19.433 1.00 21.24 H new ATOM 0 HG23 ILE A 60 -16.087 11.409 -17.929 1.00 21.24 H new ATOM 0 HD11 ILE A 60 -14.494 15.955 -17.314 1.00 43.25 H new ATOM 0 HD12 ILE A 60 -14.182 15.552 -19.019 1.00 43.25 H new ATOM 0 HD13 ILE A 60 -15.842 15.892 -18.475 1.00 43.25 H new ATOM 601 N LEU A 61 -15.127 10.442 -20.912 1.00 43.34 N ATOM 602 CA LEU A 61 -15.661 9.596 -21.974 1.00 12.03 C ATOM 603 C LEU A 61 -17.103 9.197 -21.678 1.00 14.12 C ATOM 604 O LEU A 61 -17.878 8.909 -22.590 1.00 50.43 O ATOM 605 CB LEU A 61 -14.797 8.344 -22.139 1.00 14.43 C ATOM 606 CG LEU A 61 -13.288 8.549 -22.009 1.00 24.11 C ATOM 607 CD1 LEU A 61 -12.544 7.270 -22.362 1.00 45.51 C ATOM 608 CD2 LEU A 61 -12.827 9.698 -22.894 1.00 11.13 C ATOM 0 H LEU A 61 -14.816 9.934 -20.084 1.00 43.34 H new ATOM 0 HA LEU A 61 -15.644 10.166 -22.903 1.00 12.03 H new ATOM 0 HB2 LEU A 61 -15.109 7.611 -21.395 1.00 14.43 H new ATOM 0 HB3 LEU A 61 -15.002 7.912 -23.119 1.00 14.43 H new ATOM 0 HG LEU A 61 -13.063 8.803 -20.973 1.00 24.11 H new ATOM 0 HD11 LEU A 61 -11.471 7.434 -22.264 1.00 45.51 H new ATOM 0 HD12 LEU A 61 -12.852 6.472 -21.687 1.00 45.51 H new ATOM 0 HD13 LEU A 61 -12.775 6.986 -23.389 1.00 45.51 H new ATOM 0 HD21 LEU A 61 -11.750 9.829 -22.788 1.00 11.13 H new ATOM 0 HD22 LEU A 61 -13.065 9.474 -23.934 1.00 11.13 H new ATOM 0 HD23 LEU A 61 -13.335 10.615 -22.594 1.00 11.13 H new ATOM 620 N ASP A 62 -17.457 9.184 -20.397 1.00 53.35 N ATOM 621 CA ASP A 62 -18.808 8.824 -19.981 1.00 4.20 C ATOM 622 C ASP A 62 -18.945 8.893 -18.463 1.00 63.02 C ATOM 623 O ASP A 62 -18.189 8.251 -17.732 1.00 54.34 O ATOM 624 CB ASP A 62 -19.159 7.420 -20.474 1.00 62.41 C ATOM 625 CG ASP A 62 -20.363 6.839 -19.759 1.00 1.12 C ATOM 626 OD1 ASP A 62 -21.425 7.496 -19.756 1.00 75.43 O ATOM 627 OD2 ASP A 62 -20.243 5.728 -19.202 1.00 61.12 O ATOM 0 H ASP A 62 -16.828 9.418 -19.629 1.00 53.35 H new ATOM 0 HA ASP A 62 -19.501 9.539 -20.423 1.00 4.20 H new ATOM 0 HB2 ASP A 62 -19.358 7.453 -21.545 1.00 62.41 H new ATOM 0 HB3 ASP A 62 -18.302 6.762 -20.329 1.00 62.41 H new ATOM 632 N ILE A 63 -19.912 9.675 -17.997 1.00 1.55 N ATOM 633 CA ILE A 63 -20.147 9.828 -16.566 1.00 73.31 C ATOM 634 C ILE A 63 -21.365 9.025 -16.121 1.00 22.21 C ATOM 635 O ILE A 63 -22.500 9.356 -16.464 1.00 63.34 O ATOM 636 CB ILE A 63 -20.353 11.305 -16.184 1.00 1.34 C ATOM 637 CG1 ILE A 63 -19.145 12.139 -16.616 1.00 11.44 C ATOM 638 CG2 ILE A 63 -20.586 11.437 -14.686 1.00 12.20 C ATOM 639 CD1 ILE A 63 -19.253 13.600 -16.237 1.00 52.15 C ATOM 0 H ILE A 63 -20.546 10.213 -18.589 1.00 1.55 H new ATOM 0 HA ILE A 63 -19.260 9.451 -16.058 1.00 73.31 H new ATOM 0 HB ILE A 63 -21.235 11.680 -16.704 1.00 1.34 H new ATOM 0 HG12 ILE A 63 -18.245 11.721 -16.165 1.00 11.44 H new ATOM 0 HG13 ILE A 63 -19.027 12.060 -17.697 1.00 11.44 H new ATOM 0 HG21 ILE A 63 -20.730 12.487 -14.431 1.00 12.20 H new ATOM 0 HG22 ILE A 63 -21.474 10.870 -14.405 1.00 12.20 H new ATOM 0 HG23 ILE A 63 -19.722 11.048 -14.148 1.00 12.20 H new ATOM 0 HD11 ILE A 63 -18.362 14.130 -16.574 1.00 52.15 H new ATOM 0 HD12 ILE A 63 -20.134 14.034 -16.709 1.00 52.15 H new ATOM 0 HD13 ILE A 63 -19.340 13.690 -15.154 1.00 52.15 H new ATOM 651 N VAL A 64 -21.121 7.968 -15.352 1.00 71.02 N ATOM 652 CA VAL A 64 -22.198 7.119 -14.857 1.00 24.34 C ATOM 653 C VAL A 64 -22.599 7.511 -13.439 1.00 51.22 C ATOM 654 O VAL A 64 -21.757 7.896 -12.628 1.00 0.31 O ATOM 655 CB VAL A 64 -21.792 5.633 -14.871 1.00 20.14 C ATOM 656 CG1 VAL A 64 -22.930 4.764 -14.359 1.00 35.51 C ATOM 657 CG2 VAL A 64 -21.374 5.208 -16.270 1.00 44.52 C ATOM 0 H VAL A 64 -20.188 7.680 -15.059 1.00 71.02 H new ATOM 0 HA VAL A 64 -23.047 7.263 -15.525 1.00 24.34 H new ATOM 0 HB VAL A 64 -20.938 5.501 -14.206 1.00 20.14 H new ATOM 0 HG11 VAL A 64 -22.625 3.718 -14.376 1.00 35.51 H new ATOM 0 HG12 VAL A 64 -23.177 5.053 -13.338 1.00 35.51 H new ATOM 0 HG13 VAL A 64 -23.805 4.897 -14.996 1.00 35.51 H new ATOM 0 HG21 VAL A 64 -21.091 4.156 -16.261 1.00 44.52 H new ATOM 0 HG22 VAL A 64 -22.206 5.354 -16.958 1.00 44.52 H new ATOM 0 HG23 VAL A 64 -20.525 5.810 -16.595 1.00 44.52 H new ATOM 667 N VAL A 65 -23.892 7.411 -13.147 1.00 21.42 N ATOM 668 CA VAL A 65 -24.406 7.754 -11.826 1.00 60.43 C ATOM 669 C VAL A 65 -25.465 6.755 -11.372 1.00 63.13 C ATOM 670 O VAL A 65 -26.344 6.373 -12.144 1.00 54.34 O ATOM 671 CB VAL A 65 -25.011 9.170 -11.810 1.00 74.20 C ATOM 672 CG1 VAL A 65 -25.387 9.574 -10.392 1.00 44.15 C ATOM 673 CG2 VAL A 65 -24.041 10.170 -12.420 1.00 12.54 C ATOM 0 H VAL A 65 -24.603 7.095 -13.807 1.00 21.42 H new ATOM 0 HA VAL A 65 -23.561 7.720 -11.139 1.00 60.43 H new ATOM 0 HB VAL A 65 -25.919 9.166 -12.413 1.00 74.20 H new ATOM 0 HG11 VAL A 65 -25.813 10.577 -10.400 1.00 44.15 H new ATOM 0 HG12 VAL A 65 -26.121 8.872 -9.996 1.00 44.15 H new ATOM 0 HG13 VAL A 65 -24.497 9.563 -9.762 1.00 44.15 H new ATOM 0 HG21 VAL A 65 -24.485 11.165 -12.401 1.00 12.54 H new ATOM 0 HG22 VAL A 65 -23.114 10.174 -11.846 1.00 12.54 H new ATOM 0 HG23 VAL A 65 -23.828 9.888 -13.451 1.00 12.54 H new ATOM 683 N ASP A 66 -25.374 6.336 -10.115 1.00 61.31 N ATOM 684 CA ASP A 66 -26.325 5.382 -9.557 1.00 33.14 C ATOM 685 C ASP A 66 -27.739 5.955 -9.566 1.00 41.25 C ATOM 686 O ASP A 66 -28.018 6.936 -10.258 1.00 21.22 O ATOM 687 CB ASP A 66 -25.924 5.005 -8.129 1.00 53.25 C ATOM 688 CG ASP A 66 -26.033 3.515 -7.872 1.00 12.34 C ATOM 689 OD1 ASP A 66 -25.723 2.729 -8.791 1.00 45.33 O ATOM 690 OD2 ASP A 66 -26.428 3.135 -6.750 1.00 14.12 O ATOM 0 H ASP A 66 -24.652 6.642 -9.463 1.00 61.31 H new ATOM 0 HA ASP A 66 -26.311 4.487 -10.179 1.00 33.14 H new ATOM 0 HB2 ASP A 66 -24.900 5.329 -7.945 1.00 53.25 H new ATOM 0 HB3 ASP A 66 -26.559 5.540 -7.423 1.00 53.25 H new ATOM 695 N LEU A 67 -28.628 5.337 -8.797 1.00 3.24 N ATOM 696 CA LEU A 67 -30.014 5.785 -8.717 1.00 42.10 C ATOM 697 C LEU A 67 -30.190 6.816 -7.607 1.00 41.40 C ATOM 698 O LEU A 67 -31.312 7.138 -7.217 1.00 73.21 O ATOM 699 CB LEU A 67 -30.942 4.594 -8.474 1.00 72.01 C ATOM 700 CG LEU A 67 -30.499 3.607 -7.394 1.00 20.23 C ATOM 701 CD1 LEU A 67 -29.510 2.601 -7.963 1.00 12.22 C ATOM 702 CD2 LEU A 67 -29.889 4.347 -6.213 1.00 11.45 C ATOM 0 H LEU A 67 -28.414 4.524 -8.220 1.00 3.24 H new ATOM 0 HA LEU A 67 -30.274 6.253 -9.667 1.00 42.10 H new ATOM 0 HB2 LEU A 67 -31.927 4.976 -8.207 1.00 72.01 H new ATOM 0 HB3 LEU A 67 -31.054 4.049 -9.412 1.00 72.01 H new ATOM 0 HG LEU A 67 -31.377 3.064 -7.043 1.00 20.23 H new ATOM 0 HD11 LEU A 67 -29.206 1.907 -7.180 1.00 12.22 H new ATOM 0 HD12 LEU A 67 -29.981 2.048 -8.776 1.00 12.22 H new ATOM 0 HD13 LEU A 67 -28.634 3.127 -8.342 1.00 12.22 H new ATOM 0 HD21 LEU A 67 -29.579 3.629 -5.454 1.00 11.45 H new ATOM 0 HD22 LEU A 67 -29.022 4.916 -6.549 1.00 11.45 H new ATOM 0 HD23 LEU A 67 -30.628 5.027 -5.789 1.00 11.45 H new ATOM 714 N SER A 68 -29.073 7.333 -7.104 1.00 14.03 N ATOM 715 CA SER A 68 -29.104 8.327 -6.037 1.00 52.24 C ATOM 716 C SER A 68 -29.974 7.853 -4.877 1.00 55.05 C ATOM 717 O SER A 68 -30.953 8.506 -4.514 1.00 23.05 O ATOM 718 CB SER A 68 -29.628 9.662 -6.571 1.00 33.13 C ATOM 719 OG SER A 68 -29.219 9.872 -7.911 1.00 60.30 O ATOM 0 H SER A 68 -28.136 7.080 -7.418 1.00 14.03 H new ATOM 0 HA SER A 68 -28.086 8.464 -5.672 1.00 52.24 H new ATOM 0 HB2 SER A 68 -30.716 9.678 -6.513 1.00 33.13 H new ATOM 0 HB3 SER A 68 -29.263 10.476 -5.945 1.00 33.13 H new ATOM 0 HG SER A 68 -29.568 10.731 -8.229 1.00 60.30 H new ATOM 725 N ASP A 69 -29.611 6.713 -4.301 1.00 70.54 N ATOM 726 CA ASP A 69 -30.357 6.150 -3.182 1.00 20.22 C ATOM 727 C ASP A 69 -30.333 7.094 -1.984 1.00 34.13 C ATOM 728 O ASP A 69 -29.924 8.249 -2.099 1.00 41.22 O ATOM 729 CB ASP A 69 -29.778 4.790 -2.787 1.00 43.41 C ATOM 730 CG ASP A 69 -30.836 3.706 -2.724 1.00 3.50 C ATOM 731 OD1 ASP A 69 -31.826 3.887 -1.985 1.00 23.43 O ATOM 732 OD2 ASP A 69 -30.673 2.678 -3.413 1.00 74.52 O ATOM 0 H ASP A 69 -28.804 6.160 -4.591 1.00 70.54 H new ATOM 0 HA ASP A 69 -31.392 6.017 -3.497 1.00 20.22 H new ATOM 0 HB2 ASP A 69 -29.010 4.503 -3.505 1.00 43.41 H new ATOM 0 HB3 ASP A 69 -29.290 4.874 -1.816 1.00 43.41 H new ATOM 737 N ASP A 70 -30.776 6.595 -0.835 1.00 20.20 N ATOM 738 CA ASP A 70 -30.806 7.393 0.385 1.00 42.52 C ATOM 739 C ASP A 70 -29.690 6.973 1.337 1.00 54.31 C ATOM 740 O ASP A 70 -29.318 7.721 2.240 1.00 21.32 O ATOM 741 CB ASP A 70 -32.163 7.256 1.077 1.00 62.12 C ATOM 742 CG ASP A 70 -33.116 8.376 0.709 1.00 32.14 C ATOM 743 OD1 ASP A 70 -32.981 9.481 1.276 1.00 63.21 O ATOM 744 OD2 ASP A 70 -33.997 8.148 -0.145 1.00 75.12 O ATOM 0 H ASP A 70 -31.119 5.641 -0.723 1.00 20.20 H new ATOM 0 HA ASP A 70 -30.651 8.437 0.111 1.00 42.52 H new ATOM 0 HB2 ASP A 70 -32.610 6.299 0.807 1.00 62.12 H new ATOM 0 HB3 ASP A 70 -32.017 7.247 2.157 1.00 62.12 H new ATOM 749 N ASN A 71 -29.162 5.772 1.128 1.00 35.41 N ATOM 750 CA ASN A 71 -28.091 5.251 1.969 1.00 44.00 C ATOM 751 C ASN A 71 -26.862 4.906 1.133 1.00 41.21 C ATOM 752 O ASN A 71 -25.796 4.607 1.671 1.00 11.22 O ATOM 753 CB ASN A 71 -28.567 4.012 2.730 1.00 13.43 C ATOM 754 CG ASN A 71 -29.546 3.180 1.925 1.00 70.22 C ATOM 755 OD1 ASN A 71 -29.169 2.530 0.949 1.00 14.13 O ATOM 756 ND2 ASN A 71 -30.810 3.196 2.331 1.00 53.14 N ATOM 0 H ASN A 71 -29.458 5.141 0.383 1.00 35.41 H new ATOM 0 HA ASN A 71 -27.817 6.026 2.685 1.00 44.00 H new ATOM 0 HB2 ASN A 71 -27.706 3.399 2.995 1.00 13.43 H new ATOM 0 HB3 ASN A 71 -29.038 4.321 3.663 1.00 13.43 H new ATOM 0 HD21 ASN A 71 -31.514 2.655 1.829 1.00 53.14 H new ATOM 0 HD22 ASN A 71 -31.077 3.749 3.145 1.00 53.14 H new ATOM 763 N SER A 72 -27.019 4.951 -0.186 1.00 70.13 N ATOM 764 CA SER A 72 -25.924 4.640 -1.097 1.00 43.34 C ATOM 765 C SER A 72 -25.261 5.917 -1.606 1.00 13.22 C ATOM 766 O SER A 72 -24.153 6.261 -1.196 1.00 72.53 O ATOM 767 CB SER A 72 -26.434 3.812 -2.278 1.00 61.12 C ATOM 768 OG SER A 72 -27.029 2.605 -1.835 1.00 34.11 O ATOM 0 H SER A 72 -27.894 5.200 -0.648 1.00 70.13 H new ATOM 0 HA SER A 72 -25.182 4.059 -0.549 1.00 43.34 H new ATOM 0 HB2 SER A 72 -27.161 4.392 -2.846 1.00 61.12 H new ATOM 0 HB3 SER A 72 -25.608 3.588 -2.953 1.00 61.12 H new ATOM 0 HG SER A 72 -27.348 2.095 -2.608 1.00 34.11 H new ATOM 774 N GLY A 73 -25.950 6.617 -2.502 1.00 41.24 N ATOM 775 CA GLY A 73 -25.414 7.848 -3.053 1.00 42.21 C ATOM 776 C GLY A 73 -23.992 7.688 -3.555 1.00 14.32 C ATOM 777 O GLY A 73 -23.035 7.935 -2.821 1.00 31.42 O ATOM 0 H GLY A 73 -26.870 6.354 -2.856 1.00 41.24 H new ATOM 0 HA2 GLY A 73 -26.050 8.183 -3.873 1.00 42.21 H new ATOM 0 HA3 GLY A 73 -25.441 8.626 -2.290 1.00 42.21 H new ATOM 781 N LYS A 74 -23.853 7.273 -4.809 1.00 63.22 N ATOM 782 CA LYS A 74 -22.538 7.079 -5.410 1.00 12.24 C ATOM 783 C LYS A 74 -22.582 7.341 -6.912 1.00 12.14 C ATOM 784 O LYS A 74 -23.644 7.607 -7.474 1.00 30.11 O ATOM 785 CB LYS A 74 -22.038 5.658 -5.143 1.00 65.35 C ATOM 786 CG LYS A 74 -22.879 4.582 -5.809 1.00 2.14 C ATOM 787 CD LYS A 74 -23.260 3.486 -4.828 1.00 23.13 C ATOM 788 CE LYS A 74 -23.025 2.104 -5.418 1.00 33.22 C ATOM 789 NZ LYS A 74 -23.583 1.029 -4.551 1.00 70.11 N ATOM 0 H LYS A 74 -24.635 7.064 -5.430 1.00 63.22 H new ATOM 0 HA LYS A 74 -21.849 7.791 -4.956 1.00 12.24 H new ATOM 0 HB2 LYS A 74 -21.009 5.572 -5.493 1.00 65.35 H new ATOM 0 HB3 LYS A 74 -22.024 5.483 -4.067 1.00 65.35 H new ATOM 0 HG2 LYS A 74 -23.782 5.030 -6.225 1.00 2.14 H new ATOM 0 HG3 LYS A 74 -22.325 4.150 -6.642 1.00 2.14 H new ATOM 0 HD2 LYS A 74 -22.677 3.596 -3.913 1.00 23.13 H new ATOM 0 HD3 LYS A 74 -24.309 3.592 -4.552 1.00 23.13 H new ATOM 0 HE2 LYS A 74 -23.482 2.048 -6.406 1.00 33.22 H new ATOM 0 HE3 LYS A 74 -21.955 1.944 -5.553 1.00 33.22 H new ATOM 0 HZ1 LYS A 74 -23.403 0.102 -4.987 1.00 70.11 H new ATOM 0 HZ2 LYS A 74 -23.128 1.066 -3.616 1.00 70.11 H new ATOM 0 HZ3 LYS A 74 -24.608 1.167 -4.443 1.00 70.11 H new ATOM 803 N ALA A 75 -21.422 7.263 -7.556 1.00 32.34 N ATOM 804 CA ALA A 75 -21.330 7.488 -8.993 1.00 23.23 C ATOM 805 C ALA A 75 -19.960 7.080 -9.525 1.00 72.12 C ATOM 806 O ALA A 75 -19.076 6.693 -8.761 1.00 33.44 O ATOM 807 CB ALA A 75 -21.611 8.947 -9.318 1.00 0.45 C ATOM 0 H ALA A 75 -20.533 7.046 -7.105 1.00 32.34 H new ATOM 0 HA ALA A 75 -22.081 6.867 -9.482 1.00 23.23 H new ATOM 0 HB1 ALA A 75 -21.539 9.100 -10.395 1.00 0.45 H new ATOM 0 HB2 ALA A 75 -22.614 9.208 -8.981 1.00 0.45 H new ATOM 0 HB3 ALA A 75 -20.882 9.580 -8.812 1.00 0.45 H new ATOM 813 N TYR A 76 -19.792 7.169 -10.840 1.00 25.52 N ATOM 814 CA TYR A 76 -18.530 6.805 -11.475 1.00 12.43 C ATOM 815 C TYR A 76 -18.237 7.715 -12.664 1.00 10.23 C ATOM 816 O TYR A 76 -19.073 7.882 -13.553 1.00 24.32 O ATOM 817 CB TYR A 76 -18.567 5.346 -11.932 1.00 4.13 C ATOM 818 CG TYR A 76 -19.363 4.445 -11.016 1.00 34.50 C ATOM 819 CD1 TYR A 76 -20.738 4.308 -11.168 1.00 22.53 C ATOM 820 CD2 TYR A 76 -18.742 3.731 -9.999 1.00 33.33 C ATOM 821 CE1 TYR A 76 -21.470 3.486 -10.333 1.00 71.50 C ATOM 822 CE2 TYR A 76 -19.466 2.905 -9.160 1.00 54.34 C ATOM 823 CZ TYR A 76 -20.830 2.786 -9.331 1.00 41.23 C ATOM 824 OH TYR A 76 -21.555 1.966 -8.497 1.00 41.14 O ATOM 0 H TYR A 76 -20.513 7.490 -11.487 1.00 25.52 H new ATOM 0 HA TYR A 76 -17.734 6.928 -10.741 1.00 12.43 H new ATOM 0 HB2 TYR A 76 -18.993 5.299 -12.934 1.00 4.13 H new ATOM 0 HB3 TYR A 76 -17.546 4.970 -12.001 1.00 4.13 H new ATOM 0 HD1 TYR A 76 -21.242 4.853 -11.952 1.00 22.53 H new ATOM 0 HD2 TYR A 76 -17.675 3.823 -9.861 1.00 33.33 H new ATOM 0 HE1 TYR A 76 -22.538 3.392 -10.464 1.00 71.50 H new ATOM 0 HE2 TYR A 76 -18.967 2.356 -8.375 1.00 54.34 H new ATOM 0 HH TYR A 76 -20.953 1.546 -7.847 1.00 41.14 H new ATOM 834 N ILE A 77 -17.044 8.301 -12.672 1.00 74.22 N ATOM 835 CA ILE A 77 -16.639 9.192 -13.752 1.00 12.31 C ATOM 836 C ILE A 77 -15.555 8.555 -14.613 1.00 64.45 C ATOM 837 O ILE A 77 -14.431 8.340 -14.158 1.00 50.12 O ATOM 838 CB ILE A 77 -16.122 10.537 -13.208 1.00 13.13 C ATOM 839 CG1 ILE A 77 -17.079 11.084 -12.146 1.00 23.01 C ATOM 840 CG2 ILE A 77 -15.953 11.537 -14.341 1.00 42.34 C ATOM 841 CD1 ILE A 77 -16.615 12.384 -11.527 1.00 23.22 C ATOM 0 H ILE A 77 -16.342 8.175 -11.943 1.00 74.22 H new ATOM 0 HA ILE A 77 -17.525 9.372 -14.361 1.00 12.31 H new ATOM 0 HB ILE A 77 -15.149 10.375 -12.745 1.00 13.13 H new ATOM 0 HG12 ILE A 77 -18.060 11.235 -12.596 1.00 23.01 H new ATOM 0 HG13 ILE A 77 -17.200 10.339 -11.359 1.00 23.01 H new ATOM 0 HG21 ILE A 77 -15.587 12.482 -13.940 1.00 42.34 H new ATOM 0 HG22 ILE A 77 -15.237 11.149 -15.065 1.00 42.34 H new ATOM 0 HG23 ILE A 77 -16.913 11.698 -14.831 1.00 42.34 H new ATOM 0 HD11 ILE A 77 -17.341 12.713 -10.784 1.00 23.22 H new ATOM 0 HD12 ILE A 77 -15.648 12.234 -11.048 1.00 23.22 H new ATOM 0 HD13 ILE A 77 -16.521 13.143 -12.303 1.00 23.22 H new ATOM 853 N VAL A 78 -15.898 8.255 -15.862 1.00 72.01 N ATOM 854 CA VAL A 78 -14.953 7.644 -16.790 1.00 12.54 C ATOM 855 C VAL A 78 -14.131 8.705 -17.514 1.00 32.32 C ATOM 856 O VAL A 78 -14.681 9.612 -18.139 1.00 22.10 O ATOM 857 CB VAL A 78 -15.675 6.770 -17.832 1.00 31.23 C ATOM 858 CG1 VAL A 78 -14.670 5.967 -18.644 1.00 11.23 C ATOM 859 CG2 VAL A 78 -16.679 5.851 -17.152 1.00 20.01 C ATOM 0 H VAL A 78 -16.824 8.425 -16.255 1.00 72.01 H new ATOM 0 HA VAL A 78 -14.289 7.015 -16.198 1.00 12.54 H new ATOM 0 HB VAL A 78 -16.219 7.423 -18.515 1.00 31.23 H new ATOM 0 HG11 VAL A 78 -15.199 5.355 -19.375 1.00 11.23 H new ATOM 0 HG12 VAL A 78 -13.994 6.647 -19.161 1.00 11.23 H new ATOM 0 HG13 VAL A 78 -14.097 5.322 -17.978 1.00 11.23 H new ATOM 0 HG21 VAL A 78 -17.180 5.240 -17.903 1.00 20.01 H new ATOM 0 HG22 VAL A 78 -16.159 5.203 -16.446 1.00 20.01 H new ATOM 0 HG23 VAL A 78 -17.418 6.450 -16.619 1.00 20.01 H new ATOM 869 N PHE A 79 -12.811 8.584 -17.426 1.00 22.12 N ATOM 870 CA PHE A 79 -11.912 9.532 -18.073 1.00 5.44 C ATOM 871 C PHE A 79 -11.226 8.896 -19.278 1.00 51.45 C ATOM 872 O PHE A 79 -11.418 7.715 -19.563 1.00 74.25 O ATOM 873 CB PHE A 79 -10.861 10.031 -17.078 1.00 64.44 C ATOM 874 CG PHE A 79 -11.393 11.036 -16.097 1.00 65.32 C ATOM 875 CD1 PHE A 79 -11.443 12.382 -16.423 1.00 32.41 C ATOM 876 CD2 PHE A 79 -11.842 10.635 -14.850 1.00 34.24 C ATOM 877 CE1 PHE A 79 -11.932 13.309 -15.522 1.00 25.55 C ATOM 878 CE2 PHE A 79 -12.332 11.557 -13.944 1.00 52.22 C ATOM 879 CZ PHE A 79 -12.378 12.896 -14.281 1.00 63.22 C ATOM 0 H PHE A 79 -12.340 7.839 -16.913 1.00 22.12 H new ATOM 0 HA PHE A 79 -12.505 10.378 -18.420 1.00 5.44 H new ATOM 0 HB2 PHE A 79 -10.458 9.179 -16.530 1.00 64.44 H new ATOM 0 HB3 PHE A 79 -10.033 10.477 -17.629 1.00 64.44 H new ATOM 0 HD1 PHE A 79 -11.096 12.710 -17.392 1.00 32.41 H new ATOM 0 HD2 PHE A 79 -11.809 9.589 -14.582 1.00 34.24 H new ATOM 0 HE1 PHE A 79 -11.966 14.355 -15.788 1.00 25.55 H new ATOM 0 HE2 PHE A 79 -12.678 11.231 -12.974 1.00 52.22 H new ATOM 0 HZ PHE A 79 -12.762 13.619 -13.576 1.00 63.22 H new ATOM 889 N ALA A 80 -10.426 9.690 -19.983 1.00 60.22 N ATOM 890 CA ALA A 80 -9.711 9.205 -21.157 1.00 43.22 C ATOM 891 C ALA A 80 -8.749 8.080 -20.789 1.00 13.33 C ATOM 892 O ALA A 80 -8.642 7.082 -21.502 1.00 1.02 O ATOM 893 CB ALA A 80 -8.959 10.347 -21.826 1.00 20.34 C ATOM 0 H ALA A 80 -10.257 10.671 -19.761 1.00 60.22 H new ATOM 0 HA ALA A 80 -10.444 8.806 -21.858 1.00 43.22 H new ATOM 0 HB1 ALA A 80 -8.430 9.971 -22.701 1.00 20.34 H new ATOM 0 HB2 ALA A 80 -9.666 11.118 -22.133 1.00 20.34 H new ATOM 0 HB3 ALA A 80 -8.242 10.772 -21.123 1.00 20.34 H new ATOM 899 N THR A 81 -8.050 8.248 -19.670 1.00 73.13 N ATOM 900 CA THR A 81 -7.096 7.248 -19.208 1.00 73.21 C ATOM 901 C THR A 81 -6.695 7.499 -17.759 1.00 35.51 C ATOM 902 O THR A 81 -7.020 8.539 -17.187 1.00 73.14 O ATOM 903 CB THR A 81 -5.829 7.233 -20.084 1.00 73.00 C ATOM 904 OG1 THR A 81 -5.980 8.144 -21.179 1.00 23.14 O ATOM 905 CG2 THR A 81 -5.555 5.834 -20.616 1.00 12.33 C ATOM 0 H THR A 81 -8.127 9.067 -19.067 1.00 73.13 H new ATOM 0 HA THR A 81 -7.592 6.280 -19.283 1.00 73.21 H new ATOM 0 HB THR A 81 -4.984 7.542 -19.468 1.00 73.00 H new ATOM 0 HG1 THR A 81 -5.170 8.130 -21.730 1.00 23.14 H new ATOM 0 HG21 THR A 81 -4.656 5.849 -21.232 1.00 12.33 H new ATOM 0 HG22 THR A 81 -5.412 5.149 -19.781 1.00 12.33 H new ATOM 0 HG23 THR A 81 -6.401 5.501 -21.217 1.00 12.33 H new ATOM 913 N GLN A 82 -5.988 6.539 -17.171 1.00 41.30 N ATOM 914 CA GLN A 82 -5.543 6.658 -15.787 1.00 71.45 C ATOM 915 C GLN A 82 -4.801 7.971 -15.565 1.00 3.02 C ATOM 916 O GLN A 82 -4.807 8.519 -14.463 1.00 22.41 O ATOM 917 CB GLN A 82 -4.641 5.479 -15.417 1.00 51.00 C ATOM 918 CG GLN A 82 -4.797 5.023 -13.975 1.00 43.51 C ATOM 919 CD GLN A 82 -3.683 5.529 -13.080 1.00 25.11 C ATOM 920 OE1 GLN A 82 -2.909 6.406 -13.466 1.00 75.05 O ATOM 921 NE2 GLN A 82 -3.594 4.977 -11.875 1.00 52.23 N ATOM 0 H GLN A 82 -5.711 5.671 -17.630 1.00 41.30 H new ATOM 0 HA GLN A 82 -6.424 6.648 -15.146 1.00 71.45 H new ATOM 0 HB2 GLN A 82 -4.861 4.642 -16.080 1.00 51.00 H new ATOM 0 HB3 GLN A 82 -3.602 5.759 -15.591 1.00 51.00 H new ATOM 0 HG2 GLN A 82 -5.755 5.372 -13.589 1.00 43.51 H new ATOM 0 HG3 GLN A 82 -4.818 3.934 -13.942 1.00 43.51 H new ATOM 0 HE21 GLN A 82 -4.256 4.253 -11.595 1.00 52.23 H new ATOM 0 HE22 GLN A 82 -2.864 5.277 -11.229 1.00 52.23 H new ATOM 930 N GLU A 83 -4.162 8.470 -16.618 1.00 41.24 N ATOM 931 CA GLU A 83 -3.414 9.719 -16.536 1.00 42.12 C ATOM 932 C GLU A 83 -4.321 10.870 -16.111 1.00 34.10 C ATOM 933 O GLU A 83 -4.005 11.613 -15.182 1.00 14.11 O ATOM 934 CB GLU A 83 -2.763 10.039 -17.884 1.00 11.45 C ATOM 935 CG GLU A 83 -1.288 9.683 -17.947 1.00 25.51 C ATOM 936 CD GLU A 83 -0.425 10.619 -17.123 1.00 60.02 C ATOM 937 OE1 GLU A 83 -0.699 11.838 -17.131 1.00 21.53 O ATOM 938 OE2 GLU A 83 0.523 10.134 -16.472 1.00 4.13 O ATOM 0 H GLU A 83 -4.147 8.029 -17.538 1.00 41.24 H new ATOM 0 HA GLU A 83 -2.635 9.597 -15.784 1.00 42.12 H new ATOM 0 HB2 GLU A 83 -3.292 9.501 -18.670 1.00 11.45 H new ATOM 0 HB3 GLU A 83 -2.881 11.103 -18.091 1.00 11.45 H new ATOM 0 HG2 GLU A 83 -1.149 8.661 -17.593 1.00 25.51 H new ATOM 0 HG3 GLU A 83 -0.956 9.709 -18.985 1.00 25.51 H new ATOM 945 N SER A 84 -5.450 11.011 -16.798 1.00 72.44 N ATOM 946 CA SER A 84 -6.402 12.073 -16.496 1.00 11.02 C ATOM 947 C SER A 84 -7.148 11.780 -15.198 1.00 11.45 C ATOM 948 O SER A 84 -7.295 12.654 -14.343 1.00 72.40 O ATOM 949 CB SER A 84 -7.399 12.236 -17.645 1.00 32.23 C ATOM 950 OG SER A 84 -7.021 13.299 -18.502 1.00 24.22 O ATOM 0 H SER A 84 -5.728 10.403 -17.568 1.00 72.44 H new ATOM 0 HA SER A 84 -5.845 13.002 -16.374 1.00 11.02 H new ATOM 0 HB2 SER A 84 -7.457 11.309 -18.215 1.00 32.23 H new ATOM 0 HB3 SER A 84 -8.394 12.425 -17.243 1.00 32.23 H new ATOM 0 HG SER A 84 -7.673 13.381 -19.229 1.00 24.22 H new ATOM 956 N ALA A 85 -7.617 10.545 -15.058 1.00 32.23 N ATOM 957 CA ALA A 85 -8.346 10.135 -13.864 1.00 13.12 C ATOM 958 C ALA A 85 -7.554 10.453 -12.600 1.00 64.24 C ATOM 959 O ALA A 85 -8.039 11.154 -11.713 1.00 21.51 O ATOM 960 CB ALA A 85 -8.670 8.650 -13.927 1.00 23.32 C ATOM 0 H ALA A 85 -7.505 9.810 -15.757 1.00 32.23 H new ATOM 0 HA ALA A 85 -9.279 10.698 -13.827 1.00 13.12 H new ATOM 0 HB1 ALA A 85 -9.214 8.358 -13.029 1.00 23.32 H new ATOM 0 HB2 ALA A 85 -9.284 8.448 -14.805 1.00 23.32 H new ATOM 0 HB3 ALA A 85 -7.744 8.078 -13.992 1.00 23.32 H new ATOM 966 N GLN A 86 -6.333 9.932 -12.527 1.00 1.22 N ATOM 967 CA GLN A 86 -5.474 10.160 -11.370 1.00 53.14 C ATOM 968 C GLN A 86 -5.285 11.652 -11.119 1.00 1.33 C ATOM 969 O GLN A 86 -5.165 12.088 -9.974 1.00 42.22 O ATOM 970 CB GLN A 86 -4.115 9.489 -11.578 1.00 13.23 C ATOM 971 CG GLN A 86 -3.121 9.771 -10.463 1.00 13.43 C ATOM 972 CD GLN A 86 -1.836 8.983 -10.614 1.00 25.53 C ATOM 973 OE1 GLN A 86 -1.138 9.098 -11.622 1.00 22.42 O ATOM 974 NE2 GLN A 86 -1.515 8.175 -9.610 1.00 22.14 N ATOM 0 H GLN A 86 -5.917 9.350 -13.254 1.00 1.22 H new ATOM 0 HA GLN A 86 -5.958 9.722 -10.497 1.00 53.14 H new ATOM 0 HB2 GLN A 86 -4.260 8.412 -11.661 1.00 13.23 H new ATOM 0 HB3 GLN A 86 -3.693 9.828 -12.524 1.00 13.23 H new ATOM 0 HG2 GLN A 86 -2.890 10.836 -10.448 1.00 13.43 H new ATOM 0 HG3 GLN A 86 -3.579 9.531 -9.504 1.00 13.43 H new ATOM 0 HE21 GLN A 86 -2.122 8.110 -8.793 1.00 22.14 H new ATOM 0 HE22 GLN A 86 -0.661 7.619 -9.656 1.00 22.14 H new ATOM 983 N ALA A 87 -5.259 12.430 -12.196 1.00 2.42 N ATOM 984 CA ALA A 87 -5.086 13.874 -12.091 1.00 63.13 C ATOM 985 C ALA A 87 -6.273 14.520 -11.386 1.00 33.33 C ATOM 986 O ALA A 87 -6.102 15.359 -10.501 1.00 65.50 O ATOM 987 CB ALA A 87 -4.894 14.484 -13.472 1.00 72.20 C ATOM 0 H ALA A 87 -5.355 12.085 -13.151 1.00 2.42 H new ATOM 0 HA ALA A 87 -4.195 14.065 -11.494 1.00 63.13 H new ATOM 0 HB1 ALA A 87 -4.766 15.562 -13.379 1.00 72.20 H new ATOM 0 HB2 ALA A 87 -4.009 14.053 -13.940 1.00 72.20 H new ATOM 0 HB3 ALA A 87 -5.769 14.274 -14.087 1.00 72.20 H new ATOM 993 N PHE A 88 -7.478 14.124 -11.783 1.00 52.20 N ATOM 994 CA PHE A 88 -8.695 14.666 -11.190 1.00 0.15 C ATOM 995 C PHE A 88 -8.918 14.097 -9.791 1.00 50.42 C ATOM 996 O PHE A 88 -9.438 14.778 -8.907 1.00 54.45 O ATOM 997 CB PHE A 88 -9.902 14.356 -12.077 1.00 13.31 C ATOM 998 CG PHE A 88 -11.220 14.665 -11.425 1.00 50.05 C ATOM 999 CD1 PHE A 88 -11.859 13.718 -10.641 1.00 43.11 C ATOM 1000 CD2 PHE A 88 -11.820 15.902 -11.597 1.00 43.20 C ATOM 1001 CE1 PHE A 88 -13.072 13.999 -10.041 1.00 44.43 C ATOM 1002 CE2 PHE A 88 -13.032 16.189 -10.999 1.00 54.53 C ATOM 1003 CZ PHE A 88 -13.659 15.237 -10.220 1.00 24.05 C ATOM 0 H PHE A 88 -7.638 13.430 -12.513 1.00 52.20 H new ATOM 0 HA PHE A 88 -8.580 15.747 -11.110 1.00 0.15 H new ATOM 0 HB2 PHE A 88 -9.820 14.928 -13.001 1.00 13.31 H new ATOM 0 HB3 PHE A 88 -9.880 13.301 -12.352 1.00 13.31 H new ATOM 0 HD1 PHE A 88 -11.404 12.749 -10.497 1.00 43.11 H new ATOM 0 HD2 PHE A 88 -11.335 16.651 -12.206 1.00 43.20 H new ATOM 0 HE1 PHE A 88 -13.560 13.252 -9.433 1.00 44.43 H new ATOM 0 HE2 PHE A 88 -13.489 17.157 -11.141 1.00 54.53 H new ATOM 0 HZ PHE A 88 -14.606 15.460 -9.752 1.00 24.05 H new ATOM 1013 N VAL A 89 -8.521 12.844 -9.599 1.00 23.45 N ATOM 1014 CA VAL A 89 -8.676 12.182 -8.309 1.00 11.15 C ATOM 1015 C VAL A 89 -7.780 12.820 -7.253 1.00 34.25 C ATOM 1016 O VAL A 89 -8.192 13.009 -6.108 1.00 42.24 O ATOM 1017 CB VAL A 89 -8.348 10.680 -8.405 1.00 14.22 C ATOM 1018 CG1 VAL A 89 -8.417 10.029 -7.032 1.00 15.32 C ATOM 1019 CG2 VAL A 89 -9.292 9.991 -9.379 1.00 30.22 C ATOM 0 H VAL A 89 -8.089 12.266 -10.320 1.00 23.45 H new ATOM 0 HA VAL A 89 -9.719 12.300 -8.016 1.00 11.15 H new ATOM 0 HB VAL A 89 -7.331 10.571 -8.781 1.00 14.22 H new ATOM 0 HG11 VAL A 89 -8.182 8.968 -7.120 1.00 15.32 H new ATOM 0 HG12 VAL A 89 -7.697 10.506 -6.367 1.00 15.32 H new ATOM 0 HG13 VAL A 89 -9.421 10.146 -6.624 1.00 15.32 H new ATOM 0 HG21 VAL A 89 -9.047 8.930 -9.435 1.00 30.22 H new ATOM 0 HG22 VAL A 89 -10.319 10.108 -9.034 1.00 30.22 H new ATOM 0 HG23 VAL A 89 -9.187 10.440 -10.367 1.00 30.22 H new ATOM 1029 N GLU A 90 -6.554 13.149 -7.645 1.00 42.33 N ATOM 1030 CA GLU A 90 -5.600 13.766 -6.731 1.00 65.13 C ATOM 1031 C GLU A 90 -5.843 15.268 -6.623 1.00 11.43 C ATOM 1032 O GLU A 90 -5.499 15.893 -5.620 1.00 31.34 O ATOM 1033 CB GLU A 90 -4.167 13.503 -7.201 1.00 31.05 C ATOM 1034 CG GLU A 90 -3.737 14.381 -8.363 1.00 43.15 C ATOM 1035 CD GLU A 90 -2.910 15.573 -7.920 1.00 74.21 C ATOM 1036 OE1 GLU A 90 -1.882 15.362 -7.243 1.00 51.03 O ATOM 1037 OE2 GLU A 90 -3.292 16.715 -8.249 1.00 43.32 O ATOM 0 H GLU A 90 -6.198 12.999 -8.589 1.00 42.33 H new ATOM 0 HA GLU A 90 -5.740 13.321 -5.746 1.00 65.13 H new ATOM 0 HB2 GLU A 90 -3.485 13.661 -6.366 1.00 31.05 H new ATOM 0 HB3 GLU A 90 -4.076 12.457 -7.494 1.00 31.05 H new ATOM 0 HG2 GLU A 90 -3.159 13.785 -9.069 1.00 43.15 H new ATOM 0 HG3 GLU A 90 -4.621 14.734 -8.893 1.00 43.15 H new ATOM 1044 N ALA A 91 -6.438 15.842 -7.663 1.00 53.13 N ATOM 1045 CA ALA A 91 -6.729 17.270 -7.685 1.00 55.20 C ATOM 1046 C ALA A 91 -7.935 17.598 -6.811 1.00 11.02 C ATOM 1047 O ALA A 91 -8.086 18.727 -6.342 1.00 74.53 O ATOM 1048 CB ALA A 91 -6.968 17.739 -9.113 1.00 25.41 C ATOM 0 H ALA A 91 -6.728 15.340 -8.502 1.00 53.13 H new ATOM 0 HA ALA A 91 -5.865 17.797 -7.281 1.00 55.20 H new ATOM 0 HB1 ALA A 91 -7.184 18.807 -9.114 1.00 25.41 H new ATOM 0 HB2 ALA A 91 -6.078 17.548 -9.712 1.00 25.41 H new ATOM 0 HB3 ALA A 91 -7.814 17.197 -9.537 1.00 25.41 H new ATOM 1054 N PHE A 92 -8.791 16.605 -6.595 1.00 74.12 N ATOM 1055 CA PHE A 92 -9.985 16.789 -5.778 1.00 72.42 C ATOM 1056 C PHE A 92 -10.008 15.798 -4.618 1.00 30.21 C ATOM 1057 O PHE A 92 -11.000 15.693 -3.898 1.00 15.32 O ATOM 1058 CB PHE A 92 -11.244 16.621 -6.632 1.00 20.32 C ATOM 1059 CG PHE A 92 -11.486 17.764 -7.575 1.00 3.42 C ATOM 1060 CD1 PHE A 92 -10.592 18.037 -8.598 1.00 21.21 C ATOM 1061 CD2 PHE A 92 -12.607 18.567 -7.439 1.00 30.24 C ATOM 1062 CE1 PHE A 92 -10.812 19.089 -9.466 1.00 43.25 C ATOM 1063 CE2 PHE A 92 -12.832 19.620 -8.304 1.00 53.45 C ATOM 1064 CZ PHE A 92 -11.934 19.881 -9.320 1.00 41.24 C ATOM 0 H PHE A 92 -8.680 15.665 -6.974 1.00 74.12 H new ATOM 0 HA PHE A 92 -9.963 17.799 -5.370 1.00 72.42 H new ATOM 0 HB2 PHE A 92 -11.163 15.698 -7.206 1.00 20.32 H new ATOM 0 HB3 PHE A 92 -12.107 16.514 -5.975 1.00 20.32 H new ATOM 0 HD1 PHE A 92 -9.713 17.420 -8.718 1.00 21.21 H new ATOM 0 HD2 PHE A 92 -13.313 18.367 -6.647 1.00 30.24 H new ATOM 0 HE1 PHE A 92 -10.107 19.292 -10.258 1.00 43.25 H new ATOM 0 HE2 PHE A 92 -13.709 20.239 -8.186 1.00 53.45 H new ATOM 0 HZ PHE A 92 -12.109 20.703 -9.999 1.00 41.24 H new ATOM 1074 N GLN A 93 -8.907 15.073 -4.445 1.00 14.22 N ATOM 1075 CA GLN A 93 -8.801 14.090 -3.373 1.00 75.03 C ATOM 1076 C GLN A 93 -9.259 14.682 -2.044 1.00 74.43 C ATOM 1077 O GLN A 93 -9.823 13.983 -1.204 1.00 32.45 O ATOM 1078 CB GLN A 93 -7.361 13.589 -3.253 1.00 32.03 C ATOM 1079 CG GLN A 93 -7.080 12.853 -1.953 1.00 2.13 C ATOM 1080 CD GLN A 93 -7.968 11.639 -1.766 1.00 23.35 C ATOM 1081 OE1 GLN A 93 -8.183 10.863 -2.697 1.00 63.03 O ATOM 1082 NE2 GLN A 93 -8.489 11.467 -0.556 1.00 71.14 N ATOM 0 H GLN A 93 -8.077 15.148 -5.033 1.00 14.22 H new ATOM 0 HA GLN A 93 -9.451 13.250 -3.618 1.00 75.03 H new ATOM 0 HB2 GLN A 93 -7.145 12.926 -4.091 1.00 32.03 H new ATOM 0 HB3 GLN A 93 -6.682 14.438 -3.335 1.00 32.03 H new ATOM 0 HG2 GLN A 93 -6.036 12.541 -1.935 1.00 2.13 H new ATOM 0 HG3 GLN A 93 -7.223 13.536 -1.115 1.00 2.13 H new ATOM 0 HE21 GLN A 93 -8.284 12.135 0.187 1.00 71.14 H new ATOM 0 HE22 GLN A 93 -9.094 10.667 -0.370 1.00 71.14 H new ATOM 1091 N GLY A 94 -9.012 15.975 -1.861 1.00 55.34 N ATOM 1092 CA GLY A 94 -9.406 16.639 -0.632 1.00 43.12 C ATOM 1093 C GLY A 94 -10.005 18.009 -0.879 1.00 43.43 C ATOM 1094 O GLY A 94 -9.473 19.019 -0.417 1.00 54.42 O ATOM 0 H GLY A 94 -8.546 16.575 -2.542 1.00 55.34 H new ATOM 0 HA2 GLY A 94 -10.131 16.019 -0.104 1.00 43.12 H new ATOM 0 HA3 GLY A 94 -8.537 16.738 0.019 1.00 43.12 H new ATOM 1098 N TYR A 95 -11.113 18.046 -1.611 1.00 22.50 N ATOM 1099 CA TYR A 95 -11.782 19.303 -1.922 1.00 73.24 C ATOM 1100 C TYR A 95 -13.253 19.252 -1.519 1.00 23.54 C ATOM 1101 O TYR A 95 -13.954 18.267 -1.753 1.00 64.20 O ATOM 1102 CB TYR A 95 -11.662 19.613 -3.415 1.00 74.55 C ATOM 1103 CG TYR A 95 -12.396 20.866 -3.835 1.00 11.44 C ATOM 1104 CD1 TYR A 95 -13.756 20.837 -4.120 1.00 4.35 C ATOM 1105 CD2 TYR A 95 -11.730 22.081 -3.945 1.00 23.33 C ATOM 1106 CE1 TYR A 95 -14.430 21.980 -4.504 1.00 4.34 C ATOM 1107 CE2 TYR A 95 -12.396 23.229 -4.327 1.00 1.14 C ATOM 1108 CZ TYR A 95 -13.746 23.174 -4.605 1.00 64.34 C ATOM 1109 OH TYR A 95 -14.414 24.315 -4.986 1.00 63.23 O ATOM 0 H TYR A 95 -11.567 17.219 -2.000 1.00 22.50 H new ATOM 0 HA TYR A 95 -11.295 20.095 -1.353 1.00 73.24 H new ATOM 0 HB2 TYR A 95 -10.608 19.716 -3.672 1.00 74.55 H new ATOM 0 HB3 TYR A 95 -12.048 18.768 -3.985 1.00 74.55 H new ATOM 0 HD1 TYR A 95 -14.295 19.905 -4.040 1.00 4.35 H new ATOM 0 HD2 TYR A 95 -10.673 22.128 -3.728 1.00 23.33 H new ATOM 0 HE1 TYR A 95 -15.487 21.939 -4.724 1.00 4.34 H new ATOM 0 HE2 TYR A 95 -11.863 24.165 -4.408 1.00 1.14 H new ATOM 0 HH TYR A 95 -13.788 25.069 -5.007 1.00 63.23 H new ATOM 1119 N PRO A 96 -13.733 20.339 -0.897 1.00 24.21 N ATOM 1120 CA PRO A 96 -15.124 20.444 -0.448 1.00 11.41 C ATOM 1121 C PRO A 96 -16.102 20.558 -1.612 1.00 40.23 C ATOM 1122 O PRO A 96 -16.196 21.603 -2.258 1.00 24.44 O ATOM 1123 CB PRO A 96 -15.132 21.729 0.384 1.00 3.13 C ATOM 1124 CG PRO A 96 -14.003 22.537 -0.156 1.00 52.43 C ATOM 1125 CD PRO A 96 -12.954 21.549 -0.585 1.00 10.11 C ATOM 0 HA PRO A 96 -15.442 19.560 0.105 1.00 11.41 H new ATOM 0 HB2 PRO A 96 -16.080 22.258 0.286 1.00 3.13 H new ATOM 0 HB3 PRO A 96 -14.994 21.515 1.444 1.00 3.13 H new ATOM 0 HG2 PRO A 96 -14.329 23.150 -0.997 1.00 52.43 H new ATOM 0 HG3 PRO A 96 -13.612 23.217 0.601 1.00 52.43 H new ATOM 0 HD2 PRO A 96 -12.398 21.904 -1.453 1.00 10.11 H new ATOM 0 HD3 PRO A 96 -12.227 21.366 0.206 1.00 10.11 H new ATOM 1133 N PHE A 97 -16.829 19.478 -1.876 1.00 33.30 N ATOM 1134 CA PHE A 97 -17.800 19.456 -2.964 1.00 13.53 C ATOM 1135 C PHE A 97 -19.130 18.874 -2.494 1.00 53.22 C ATOM 1136 O PHE A 97 -19.164 17.860 -1.798 1.00 4.13 O ATOM 1137 CB PHE A 97 -17.261 18.642 -4.141 1.00 72.42 C ATOM 1138 CG PHE A 97 -18.242 18.498 -5.270 1.00 2.12 C ATOM 1139 CD1 PHE A 97 -18.766 19.617 -5.896 1.00 51.31 C ATOM 1140 CD2 PHE A 97 -18.640 17.244 -5.704 1.00 63.11 C ATOM 1141 CE1 PHE A 97 -19.668 19.489 -6.935 1.00 74.23 C ATOM 1142 CE2 PHE A 97 -19.541 17.109 -6.743 1.00 12.21 C ATOM 1143 CZ PHE A 97 -20.057 18.233 -7.358 1.00 72.15 C ATOM 0 H PHE A 97 -16.764 18.606 -1.351 1.00 33.30 H new ATOM 0 HA PHE A 97 -17.968 20.483 -3.289 1.00 13.53 H new ATOM 0 HB2 PHE A 97 -16.355 19.117 -4.516 1.00 72.42 H new ATOM 0 HB3 PHE A 97 -16.978 17.651 -3.787 1.00 72.42 H new ATOM 0 HD1 PHE A 97 -18.466 20.601 -5.568 1.00 51.31 H new ATOM 0 HD2 PHE A 97 -18.242 16.362 -5.225 1.00 63.11 H new ATOM 0 HE1 PHE A 97 -20.068 20.370 -7.415 1.00 74.23 H new ATOM 0 HE2 PHE A 97 -19.841 16.126 -7.074 1.00 12.21 H new ATOM 0 HZ PHE A 97 -20.764 18.130 -8.168 1.00 72.15 H new ATOM 1153 N GLN A 98 -20.223 19.524 -2.881 1.00 13.13 N ATOM 1154 CA GLN A 98 -21.556 19.072 -2.498 1.00 63.34 C ATOM 1155 C GLN A 98 -21.645 18.855 -0.991 1.00 73.55 C ATOM 1156 O GLN A 98 -22.402 18.006 -0.520 1.00 43.43 O ATOM 1157 CB GLN A 98 -21.909 17.778 -3.234 1.00 23.20 C ATOM 1158 CG GLN A 98 -22.295 17.991 -4.689 1.00 15.05 C ATOM 1159 CD GLN A 98 -23.772 18.288 -4.862 1.00 42.33 C ATOM 1160 OE1 GLN A 98 -24.608 17.805 -4.099 1.00 73.51 O ATOM 1161 NE2 GLN A 98 -24.100 19.088 -5.870 1.00 53.30 N ATOM 0 H GLN A 98 -20.212 20.364 -3.459 1.00 13.13 H new ATOM 0 HA GLN A 98 -22.270 19.847 -2.777 1.00 63.34 H new ATOM 0 HB2 GLN A 98 -21.057 17.100 -3.188 1.00 23.20 H new ATOM 0 HB3 GLN A 98 -22.734 17.289 -2.716 1.00 23.20 H new ATOM 0 HG2 GLN A 98 -21.712 18.816 -5.099 1.00 15.05 H new ATOM 0 HG3 GLN A 98 -22.037 17.101 -5.264 1.00 15.05 H new ATOM 0 HE21 GLN A 98 -23.374 19.466 -6.478 1.00 53.30 H new ATOM 0 HE22 GLN A 98 -25.078 19.324 -6.036 1.00 53.30 H new ATOM 1170 N GLY A 99 -20.867 19.627 -0.240 1.00 1.14 N ATOM 1171 CA GLY A 99 -20.873 19.503 1.206 1.00 12.23 C ATOM 1172 C GLY A 99 -19.505 19.738 1.814 1.00 2.43 C ATOM 1173 O GLY A 99 -19.251 20.790 2.400 1.00 32.02 O ATOM 0 H GLY A 99 -20.232 20.336 -0.607 1.00 1.14 H new ATOM 0 HA2 GLY A 99 -21.581 20.217 1.626 1.00 12.23 H new ATOM 0 HA3 GLY A 99 -21.223 18.508 1.481 1.00 12.23 H new ATOM 1177 N ASN A 100 -18.621 18.756 1.676 1.00 23.43 N ATOM 1178 CA ASN A 100 -17.271 18.860 2.219 1.00 70.10 C ATOM 1179 C ASN A 100 -16.488 17.573 1.980 1.00 22.53 C ATOM 1180 O ASN A 100 -15.437 17.566 1.338 1.00 34.40 O ATOM 1181 CB ASN A 100 -17.324 19.168 3.717 1.00 65.13 C ATOM 1182 CG ASN A 100 -16.153 18.569 4.472 1.00 64.24 C ATOM 1183 OD1 ASN A 100 -15.004 18.674 4.042 1.00 4.32 O ATOM 1184 ND2 ASN A 100 -16.440 17.935 5.603 1.00 42.51 N ATOM 0 H ASN A 100 -18.815 17.879 1.193 1.00 23.43 H new ATOM 0 HA ASN A 100 -16.761 19.675 1.705 1.00 70.10 H new ATOM 0 HB2 ASN A 100 -17.333 20.248 3.863 1.00 65.13 H new ATOM 0 HB3 ASN A 100 -18.256 18.783 4.132 1.00 65.13 H new ATOM 0 HD21 ASN A 100 -15.693 17.511 6.153 1.00 42.51 H new ATOM 0 HD22 ASN A 100 -17.407 17.872 5.921 1.00 42.51 H new ATOM 1191 N PRO A 101 -17.010 16.456 2.509 1.00 61.34 N ATOM 1192 CA PRO A 101 -16.377 15.141 2.365 1.00 1.35 C ATOM 1193 C PRO A 101 -16.449 14.616 0.936 1.00 61.22 C ATOM 1194 O PRO A 101 -17.493 14.136 0.492 1.00 63.13 O ATOM 1195 CB PRO A 101 -17.194 14.250 3.305 1.00 45.15 C ATOM 1196 CG PRO A 101 -18.524 14.914 3.395 1.00 72.13 C ATOM 1197 CD PRO A 101 -18.259 16.390 3.286 1.00 22.00 C ATOM 0 HA PRO A 101 -15.314 15.172 2.602 1.00 1.35 H new ATOM 0 HB2 PRO A 101 -17.283 13.237 2.912 1.00 45.15 H new ATOM 0 HB3 PRO A 101 -16.723 14.172 4.285 1.00 45.15 H new ATOM 0 HG2 PRO A 101 -19.184 14.576 2.596 1.00 72.13 H new ATOM 0 HG3 PRO A 101 -19.017 14.675 4.337 1.00 72.13 H new ATOM 0 HD2 PRO A 101 -19.074 16.908 2.781 1.00 22.00 H new ATOM 0 HD3 PRO A 101 -18.147 16.852 4.267 1.00 22.00 H new ATOM 1205 N LEU A 102 -15.334 14.709 0.220 1.00 70.15 N ATOM 1206 CA LEU A 102 -15.270 14.242 -1.161 1.00 75.01 C ATOM 1207 C LEU A 102 -14.266 13.103 -1.305 1.00 42.32 C ATOM 1208 O LEU A 102 -13.089 13.254 -0.975 1.00 34.22 O ATOM 1209 CB LEU A 102 -14.890 15.394 -2.093 1.00 31.12 C ATOM 1210 CG LEU A 102 -15.571 15.403 -3.462 1.00 33.02 C ATOM 1211 CD1 LEU A 102 -14.858 16.357 -4.407 1.00 0.53 C ATOM 1212 CD2 LEU A 102 -15.610 13.999 -4.048 1.00 2.14 C ATOM 0 H LEU A 102 -14.462 15.103 0.572 1.00 70.15 H new ATOM 0 HA LEU A 102 -16.256 13.869 -1.438 1.00 75.01 H new ATOM 0 HB2 LEU A 102 -15.119 16.333 -1.589 1.00 31.12 H new ATOM 0 HB3 LEU A 102 -13.811 15.370 -2.246 1.00 31.12 H new ATOM 0 HG LEU A 102 -16.596 15.750 -3.334 1.00 33.02 H new ATOM 0 HD11 LEU A 102 -15.357 16.350 -5.376 1.00 0.53 H new ATOM 0 HD12 LEU A 102 -14.883 17.365 -3.993 1.00 0.53 H new ATOM 0 HD13 LEU A 102 -13.822 16.041 -4.530 1.00 0.53 H new ATOM 0 HD21 LEU A 102 -16.098 14.025 -5.022 1.00 2.14 H new ATOM 0 HD22 LEU A 102 -14.593 13.624 -4.162 1.00 2.14 H new ATOM 0 HD23 LEU A 102 -16.167 13.341 -3.380 1.00 2.14 H new ATOM 1224 N VAL A 103 -14.737 11.964 -1.803 1.00 12.43 N ATOM 1225 CA VAL A 103 -13.880 10.801 -1.994 1.00 64.21 C ATOM 1226 C VAL A 103 -13.770 10.436 -3.470 1.00 60.22 C ATOM 1227 O VAL A 103 -14.779 10.291 -4.161 1.00 12.23 O ATOM 1228 CB VAL A 103 -14.405 9.582 -1.213 1.00 20.22 C ATOM 1229 CG1 VAL A 103 -15.797 9.199 -1.693 1.00 3.14 C ATOM 1230 CG2 VAL A 103 -13.445 8.410 -1.347 1.00 22.44 C ATOM 0 H VAL A 103 -15.708 11.822 -2.081 1.00 12.43 H new ATOM 0 HA VAL A 103 -12.894 11.069 -1.614 1.00 64.21 H new ATOM 0 HB VAL A 103 -14.471 9.849 -0.158 1.00 20.22 H new ATOM 0 HG11 VAL A 103 -16.151 8.336 -1.130 1.00 3.14 H new ATOM 0 HG12 VAL A 103 -16.478 10.036 -1.540 1.00 3.14 H new ATOM 0 HG13 VAL A 103 -15.760 8.950 -2.754 1.00 3.14 H new ATOM 0 HG21 VAL A 103 -13.832 7.557 -0.789 1.00 22.44 H new ATOM 0 HG22 VAL A 103 -13.345 8.140 -2.398 1.00 22.44 H new ATOM 0 HG23 VAL A 103 -12.470 8.691 -0.950 1.00 22.44 H new ATOM 1240 N ILE A 104 -12.539 10.288 -3.947 1.00 62.25 N ATOM 1241 CA ILE A 104 -12.297 9.938 -5.342 1.00 35.13 C ATOM 1242 C ILE A 104 -11.240 8.845 -5.459 1.00 54.11 C ATOM 1243 O ILE A 104 -10.128 8.983 -4.949 1.00 12.44 O ATOM 1244 CB ILE A 104 -11.847 11.163 -6.160 1.00 23.54 C ATOM 1245 CG1 ILE A 104 -11.149 12.179 -5.254 1.00 1.31 C ATOM 1246 CG2 ILE A 104 -13.038 11.799 -6.860 1.00 62.03 C ATOM 1247 CD1 ILE A 104 -12.102 13.139 -4.576 1.00 23.42 C ATOM 0 H ILE A 104 -11.693 10.405 -3.389 1.00 62.25 H new ATOM 0 HA ILE A 104 -13.241 9.571 -5.744 1.00 35.13 H new ATOM 0 HB ILE A 104 -11.138 10.834 -6.920 1.00 23.54 H new ATOM 0 HG12 ILE A 104 -10.581 11.645 -4.492 1.00 1.31 H new ATOM 0 HG13 ILE A 104 -10.432 12.748 -5.845 1.00 1.31 H new ATOM 0 HG21 ILE A 104 -12.704 12.663 -7.434 1.00 62.03 H new ATOM 0 HG22 ILE A 104 -13.496 11.073 -7.531 1.00 62.03 H new ATOM 0 HG23 ILE A 104 -13.769 12.118 -6.117 1.00 62.03 H new ATOM 0 HD11 ILE A 104 -11.538 13.830 -3.950 1.00 23.42 H new ATOM 0 HD12 ILE A 104 -12.652 13.700 -5.332 1.00 23.42 H new ATOM 0 HD13 ILE A 104 -12.804 12.579 -3.958 1.00 23.42 H new ATOM 1259 N THR A 105 -11.594 7.758 -6.137 1.00 60.43 N ATOM 1260 CA THR A 105 -10.676 6.641 -6.323 1.00 73.22 C ATOM 1261 C THR A 105 -10.875 5.987 -7.686 1.00 22.12 C ATOM 1262 O THR A 105 -11.847 6.270 -8.386 1.00 13.23 O ATOM 1263 CB THR A 105 -10.857 5.576 -5.224 1.00 40.45 C ATOM 1264 OG1 THR A 105 -12.246 5.430 -4.908 1.00 22.11 O ATOM 1265 CG2 THR A 105 -10.083 5.956 -3.971 1.00 32.11 C ATOM 0 H THR A 105 -12.510 7.627 -6.566 1.00 60.43 H new ATOM 0 HA THR A 105 -9.667 7.048 -6.262 1.00 73.22 H new ATOM 0 HB THR A 105 -10.469 4.629 -5.598 1.00 40.45 H new ATOM 0 HG1 THR A 105 -12.353 4.750 -4.210 1.00 22.11 H new ATOM 0 HG21 THR A 105 -10.226 5.190 -3.209 1.00 32.11 H new ATOM 0 HG22 THR A 105 -9.023 6.038 -4.209 1.00 32.11 H new ATOM 0 HG23 THR A 105 -10.446 6.913 -3.596 1.00 32.11 H new ATOM 1273 N PHE A 106 -9.948 5.110 -8.057 1.00 3.11 N ATOM 1274 CA PHE A 106 -10.021 4.416 -9.337 1.00 71.41 C ATOM 1275 C PHE A 106 -10.910 3.180 -9.235 1.00 74.22 C ATOM 1276 O PHE A 106 -11.510 2.917 -8.192 1.00 45.34 O ATOM 1277 CB PHE A 106 -8.621 4.013 -9.804 1.00 3.01 C ATOM 1278 CG PHE A 106 -7.628 5.139 -9.761 1.00 3.11 C ATOM 1279 CD1 PHE A 106 -6.877 5.375 -8.621 1.00 25.33 C ATOM 1280 CD2 PHE A 106 -7.446 5.962 -10.860 1.00 42.35 C ATOM 1281 CE1 PHE A 106 -5.962 6.410 -8.578 1.00 25.11 C ATOM 1282 CE2 PHE A 106 -6.532 6.999 -10.824 1.00 31.44 C ATOM 1283 CZ PHE A 106 -5.790 7.223 -9.681 1.00 1.44 C ATOM 0 H PHE A 106 -9.137 4.863 -7.489 1.00 3.11 H new ATOM 0 HA PHE A 106 -10.458 5.098 -10.067 1.00 71.41 H new ATOM 0 HB2 PHE A 106 -8.259 3.196 -9.179 1.00 3.01 H new ATOM 0 HB3 PHE A 106 -8.682 3.632 -10.823 1.00 3.01 H new ATOM 0 HD1 PHE A 106 -7.008 4.743 -7.755 1.00 25.33 H new ATOM 0 HD2 PHE A 106 -8.025 5.792 -11.756 1.00 42.35 H new ATOM 0 HE1 PHE A 106 -5.382 6.583 -7.683 1.00 25.11 H new ATOM 0 HE2 PHE A 106 -6.399 7.633 -11.688 1.00 31.44 H new ATOM 0 HZ PHE A 106 -5.076 8.033 -9.650 1.00 1.44 H new ATOM 1293 N SER A 107 -10.991 2.425 -10.326 1.00 73.21 N ATOM 1294 CA SER A 107 -11.810 1.219 -10.362 1.00 74.11 C ATOM 1295 C SER A 107 -11.202 0.176 -11.295 1.00 3.40 C ATOM 1296 O SER A 107 -10.109 0.368 -11.828 1.00 14.10 O ATOM 1297 CB SER A 107 -13.232 1.556 -10.814 1.00 54.35 C ATOM 1298 OG SER A 107 -14.194 0.957 -9.963 1.00 40.13 O ATOM 0 H SER A 107 -10.500 2.627 -11.197 1.00 73.21 H new ATOM 0 HA SER A 107 -11.845 0.804 -9.355 1.00 74.11 H new ATOM 0 HB2 SER A 107 -13.369 2.637 -10.818 1.00 54.35 H new ATOM 0 HB3 SER A 107 -13.383 1.212 -11.837 1.00 54.35 H new ATOM 0 HG SER A 107 -15.094 1.189 -10.273 1.00 40.13 H new ATOM 1304 N GLU A 108 -11.918 -0.927 -11.486 1.00 63.25 N ATOM 1305 CA GLU A 108 -11.448 -2.001 -12.354 1.00 42.11 C ATOM 1306 C GLU A 108 -12.235 -2.028 -13.661 1.00 33.41 C ATOM 1307 O GLU A 108 -13.438 -1.765 -13.681 1.00 32.23 O ATOM 1308 CB GLU A 108 -11.570 -3.351 -11.644 1.00 4.21 C ATOM 1309 CG GLU A 108 -10.722 -3.456 -10.387 1.00 71.02 C ATOM 1310 CD GLU A 108 -11.532 -3.263 -9.120 1.00 22.43 C ATOM 1311 OE1 GLU A 108 -11.722 -2.099 -8.709 1.00 72.24 O ATOM 1312 OE2 GLU A 108 -11.975 -4.276 -8.538 1.00 44.32 O ATOM 0 H GLU A 108 -12.825 -1.101 -11.052 1.00 63.25 H new ATOM 0 HA GLU A 108 -10.399 -1.814 -12.585 1.00 42.11 H new ATOM 0 HB2 GLU A 108 -12.614 -3.522 -11.383 1.00 4.21 H new ATOM 0 HB3 GLU A 108 -11.281 -4.143 -12.335 1.00 4.21 H new ATOM 0 HG2 GLU A 108 -10.239 -4.433 -10.360 1.00 71.02 H new ATOM 0 HG3 GLU A 108 -9.929 -2.709 -10.424 1.00 71.02 H new ATOM 1319 N THR A 109 -11.548 -2.349 -14.753 1.00 3.42 N ATOM 1320 CA THR A 109 -12.181 -2.409 -16.064 1.00 65.12 C ATOM 1321 C THR A 109 -11.861 -3.723 -16.769 1.00 13.33 C ATOM 1322 O THR A 109 -11.075 -3.772 -17.715 1.00 74.41 O ATOM 1323 CB THR A 109 -11.733 -1.238 -16.959 1.00 4.13 C ATOM 1324 OG1 THR A 109 -10.311 -1.082 -16.887 1.00 21.33 O ATOM 1325 CG2 THR A 109 -12.412 0.056 -16.536 1.00 45.22 C ATOM 0 H THR A 109 -10.553 -2.571 -14.755 1.00 3.42 H new ATOM 0 HA THR A 109 -13.256 -2.340 -15.899 1.00 65.12 H new ATOM 0 HB THR A 109 -12.022 -1.463 -17.986 1.00 4.13 H new ATOM 0 HG1 THR A 109 -9.877 -1.930 -17.118 1.00 21.33 H new ATOM 0 HG21 THR A 109 -12.080 0.869 -17.182 1.00 45.22 H new ATOM 0 HG22 THR A 109 -13.493 -0.056 -16.620 1.00 45.22 H new ATOM 0 HG23 THR A 109 -12.150 0.284 -15.503 1.00 45.22 H new ATOM 1333 N PRO A 110 -12.484 -4.814 -16.299 1.00 54.30 N ATOM 1334 CA PRO A 110 -12.283 -6.148 -16.871 1.00 21.30 C ATOM 1335 C PRO A 110 -12.891 -6.280 -18.263 1.00 70.31 C ATOM 1336 O PRO A 110 -13.327 -5.293 -18.855 1.00 72.51 O ATOM 1337 CB PRO A 110 -13.003 -7.070 -15.883 1.00 42.14 C ATOM 1338 CG PRO A 110 -14.033 -6.206 -15.241 1.00 23.10 C ATOM 1339 CD PRO A 110 -13.434 -4.828 -15.174 1.00 31.32 C ATOM 0 HA PRO A 110 -11.226 -6.381 -17.000 1.00 21.30 H new ATOM 0 HB2 PRO A 110 -13.460 -7.918 -16.393 1.00 42.14 H new ATOM 0 HB3 PRO A 110 -12.312 -7.477 -15.145 1.00 42.14 H new ATOM 0 HG2 PRO A 110 -14.956 -6.203 -15.821 1.00 23.10 H new ATOM 0 HG3 PRO A 110 -14.283 -6.572 -14.245 1.00 23.10 H new ATOM 0 HD2 PRO A 110 -14.194 -4.054 -15.280 1.00 31.32 H new ATOM 0 HD3 PRO A 110 -12.932 -4.654 -14.222 1.00 31.32 H new ATOM 1347 N GLN A 111 -12.917 -7.505 -18.779 1.00 3.10 N ATOM 1348 CA GLN A 111 -13.472 -7.764 -20.102 1.00 63.41 C ATOM 1349 C GLN A 111 -12.669 -7.044 -21.180 1.00 64.01 C ATOM 1350 O GLN A 111 -13.199 -6.697 -22.235 1.00 61.45 O ATOM 1351 CB GLN A 111 -14.935 -7.324 -20.160 1.00 14.32 C ATOM 1352 CG GLN A 111 -15.855 -8.350 -20.801 1.00 60.31 C ATOM 1353 CD GLN A 111 -17.319 -8.083 -20.513 1.00 31.23 C ATOM 1354 OE1 GLN A 111 -17.695 -7.780 -19.380 1.00 52.52 O ATOM 1355 NE2 GLN A 111 -18.155 -8.195 -21.539 1.00 2.15 N ATOM 0 H GLN A 111 -12.560 -8.333 -18.301 1.00 3.10 H new ATOM 0 HA GLN A 111 -13.415 -8.837 -20.288 1.00 63.41 H new ATOM 0 HB2 GLN A 111 -15.284 -7.118 -19.148 1.00 14.32 H new ATOM 0 HB3 GLN A 111 -15.003 -6.390 -20.717 1.00 14.32 H new ATOM 0 HG2 GLN A 111 -15.695 -8.352 -21.879 1.00 60.31 H new ATOM 0 HG3 GLN A 111 -15.593 -9.344 -20.438 1.00 60.31 H new ATOM 0 HE21 GLN A 111 -17.800 -8.448 -22.461 1.00 2.15 H new ATOM 0 HE22 GLN A 111 -19.152 -8.028 -21.405 1.00 2.15 H new ATOM 1364 N SER A 112 -11.387 -6.822 -20.907 1.00 41.40 N ATOM 1365 CA SER A 112 -10.511 -6.138 -21.852 1.00 74.50 C ATOM 1366 C SER A 112 -9.794 -7.141 -22.751 1.00 31.33 C ATOM 1367 O SER A 112 -9.591 -6.891 -23.938 1.00 62.13 O ATOM 1368 CB SER A 112 -9.487 -5.283 -21.104 1.00 70.00 C ATOM 1369 OG SER A 112 -8.545 -4.717 -21.999 1.00 22.15 O ATOM 0 H SER A 112 -10.932 -7.106 -20.039 1.00 41.40 H new ATOM 0 HA SER A 112 -11.126 -5.491 -22.477 1.00 74.50 H new ATOM 0 HB2 SER A 112 -9.999 -4.489 -20.560 1.00 70.00 H new ATOM 0 HB3 SER A 112 -8.969 -5.894 -20.364 1.00 70.00 H new ATOM 0 HG SER A 112 -7.902 -4.174 -21.497 1.00 22.15 H new ATOM 1375 N GLN A 113 -9.414 -8.277 -22.174 1.00 4.31 N ATOM 1376 CA GLN A 113 -8.718 -9.317 -22.922 1.00 33.41 C ATOM 1377 C GLN A 113 -9.555 -9.786 -24.108 1.00 23.41 C ATOM 1378 O GLN A 113 -9.035 -9.994 -25.204 1.00 44.02 O ATOM 1379 CB GLN A 113 -8.396 -10.502 -22.009 1.00 73.15 C ATOM 1380 CG GLN A 113 -9.618 -11.092 -21.324 1.00 12.21 C ATOM 1381 CD GLN A 113 -9.269 -11.844 -20.055 1.00 72.41 C ATOM 1382 OE1 GLN A 113 -9.131 -13.068 -20.063 1.00 53.02 O ATOM 1383 NE2 GLN A 113 -9.124 -11.115 -18.955 1.00 30.11 N ATOM 0 H GLN A 113 -9.576 -8.500 -21.192 1.00 4.31 H new ATOM 0 HA GLN A 113 -7.787 -8.896 -23.301 1.00 33.41 H new ATOM 0 HB2 GLN A 113 -7.908 -11.280 -22.596 1.00 73.15 H new ATOM 0 HB3 GLN A 113 -7.683 -10.181 -21.249 1.00 73.15 H new ATOM 0 HG2 GLN A 113 -10.319 -10.292 -21.086 1.00 12.21 H new ATOM 0 HG3 GLN A 113 -10.126 -11.766 -22.013 1.00 12.21 H new ATOM 0 HE21 GLN A 113 -9.247 -10.103 -18.994 1.00 30.11 H new ATOM 0 HE22 GLN A 113 -8.889 -11.567 -18.071 1.00 30.11 H new ATOM 1392 N VAL A 114 -10.854 -9.952 -23.881 1.00 20.12 N ATOM 1393 CA VAL A 114 -11.763 -10.396 -24.931 1.00 20.12 C ATOM 1394 C VAL A 114 -12.007 -9.289 -25.950 1.00 72.44 C ATOM 1395 O VAL A 114 -12.328 -9.558 -27.108 1.00 15.53 O ATOM 1396 CB VAL A 114 -13.115 -10.850 -24.348 1.00 43.41 C ATOM 1397 CG1 VAL A 114 -12.912 -11.966 -23.335 1.00 71.45 C ATOM 1398 CG2 VAL A 114 -13.844 -9.673 -23.718 1.00 33.03 C ATOM 0 H VAL A 114 -11.301 -9.786 -22.979 1.00 20.12 H new ATOM 0 HA VAL A 114 -11.287 -11.243 -25.426 1.00 20.12 H new ATOM 0 HB VAL A 114 -13.730 -11.237 -25.160 1.00 43.41 H new ATOM 0 HG11 VAL A 114 -13.878 -12.274 -22.934 1.00 71.45 H new ATOM 0 HG12 VAL A 114 -12.434 -12.816 -23.821 1.00 71.45 H new ATOM 0 HG13 VAL A 114 -12.279 -11.609 -22.523 1.00 71.45 H new ATOM 0 HG21 VAL A 114 -14.797 -10.011 -23.311 1.00 33.03 H new ATOM 0 HG22 VAL A 114 -13.235 -9.255 -22.917 1.00 33.03 H new ATOM 0 HG23 VAL A 114 -14.023 -8.909 -24.474 1.00 33.03 H new ATOM 1408 N ALA A 115 -11.852 -8.044 -25.513 1.00 31.24 N ATOM 1409 CA ALA A 115 -12.053 -6.896 -26.388 1.00 32.12 C ATOM 1410 C ALA A 115 -10.918 -6.771 -27.399 1.00 35.12 C ATOM 1411 O ALA A 115 -11.129 -6.335 -28.530 1.00 61.21 O ATOM 1412 CB ALA A 115 -12.174 -5.621 -25.566 1.00 44.04 C ATOM 0 H ALA A 115 -11.588 -7.804 -24.557 1.00 31.24 H new ATOM 0 HA ALA A 115 -12.980 -7.049 -26.940 1.00 32.12 H new ATOM 0 HB1 ALA A 115 -12.324 -4.771 -26.232 1.00 44.04 H new ATOM 0 HB2 ALA A 115 -13.023 -5.705 -24.888 1.00 44.04 H new ATOM 0 HB3 ALA A 115 -11.262 -5.473 -24.988 1.00 44.04 H new ATOM 1418 N GLU A 116 -9.716 -7.156 -26.983 1.00 1.34 N ATOM 1419 CA GLU A 116 -8.548 -7.084 -27.853 1.00 32.41 C ATOM 1420 C GLU A 116 -8.806 -7.811 -29.170 1.00 11.30 C ATOM 1421 O GLU A 116 -8.371 -7.366 -30.232 1.00 41.31 O ATOM 1422 CB GLU A 116 -7.327 -7.688 -27.156 1.00 12.04 C ATOM 1423 CG GLU A 116 -6.297 -6.655 -26.729 1.00 74.32 C ATOM 1424 CD GLU A 116 -6.187 -6.529 -25.222 1.00 62.52 C ATOM 1425 OE1 GLU A 116 -5.924 -7.554 -24.558 1.00 41.24 O ATOM 1426 OE2 GLU A 116 -6.363 -5.405 -24.707 1.00 30.52 O ATOM 0 H GLU A 116 -9.525 -7.521 -26.050 1.00 1.34 H new ATOM 0 HA GLU A 116 -8.352 -6.034 -28.069 1.00 32.41 H new ATOM 0 HB2 GLU A 116 -7.658 -8.243 -26.278 1.00 12.04 H new ATOM 0 HB3 GLU A 116 -6.854 -8.405 -27.827 1.00 12.04 H new ATOM 0 HG2 GLU A 116 -5.324 -6.926 -27.139 1.00 74.32 H new ATOM 0 HG3 GLU A 116 -6.562 -5.686 -27.152 1.00 74.32 H new ATOM 1433 N ASP A 117 -9.516 -8.931 -29.092 1.00 1.23 N ATOM 1434 CA ASP A 117 -9.833 -9.720 -30.277 1.00 1.43 C ATOM 1435 C ASP A 117 -8.563 -10.097 -31.034 1.00 14.12 C ATOM 1436 O ASP A 117 -8.623 -10.557 -32.175 1.00 51.41 O ATOM 1437 CB ASP A 117 -10.777 -8.943 -31.195 1.00 54.50 C ATOM 1438 CG ASP A 117 -12.237 -9.180 -30.859 1.00 4.50 C ATOM 1439 OD1 ASP A 117 -12.692 -10.337 -30.976 1.00 14.44 O ATOM 1440 OD2 ASP A 117 -12.923 -8.208 -30.478 1.00 64.14 O ATOM 0 H ASP A 117 -9.883 -9.313 -28.220 1.00 1.23 H new ATOM 0 HA ASP A 117 -10.327 -10.636 -29.953 1.00 1.43 H new ATOM 0 HB2 ASP A 117 -10.558 -7.878 -31.119 1.00 54.50 H new ATOM 0 HB3 ASP A 117 -10.594 -9.233 -32.230 1.00 54.50 H new TER 1445 ASP A 117