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 Single : A 22 THR OG1 : rot 27:sc= 0.198 USER MOD Single : A 25 HIS : no HD1:sc= -0.0409 X(o=-0.041,f=-0.025) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 29 SER OG : rot -41:sc= 0.0751 USER MOD Single : A 30 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.026) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 36 ASN : amide:sc= -0.0232 K(o=-0.023,f=0.86) USER MOD Single : A 38 ASN : amide:sc= -0.235 K(o=-0.23,f=-1.3) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= -0.142 (180deg=-0.672) USER MOD Single : A 47 GLN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.98 K(o=-3,f=-1.3) USER MOD Single : A 68 SER OG : rot -65:sc= 0.164 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 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= -0.479 USER MOD Single : A 82 GLN : amide:sc= -0.69 K(o=-0.69,f=-4.5!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.393 USER MOD Single : A 86 GLN : amide:sc= -0.0809 K(o=-0.081,f=-0.79) USER MOD Single : A 93 GLN : amide:sc= -0.0555 X(o=-0.056,f=-0.18) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -3.32! C(o=-3.3!,f=-5.5!) USER MOD Single : A 100 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.033) 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 56:sc= 0.676 USER MOD Single : A 111 GLN : amide:sc=-0.00283 K(o=-0.0028,f=-0.89) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.739 K(o=-0.74,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 22 9.375 0.772 -6.118 1.00 22.24 N ATOM 2 CA THR A 22 9.145 0.098 -7.389 1.00 41.23 C ATOM 3 C THR A 22 7.692 -0.342 -7.523 1.00 72.12 C ATOM 4 O THR A 22 7.373 -1.531 -7.491 1.00 13.23 O ATOM 5 CB THR A 22 10.059 -1.132 -7.547 1.00 51.20 C ATOM 6 OG1 THR A 22 11.412 -0.779 -7.241 1.00 4.05 O ATOM 7 CG2 THR A 22 9.982 -1.685 -8.962 1.00 33.42 C ATOM 0 HA THR A 22 9.378 0.817 -8.174 1.00 41.23 H new ATOM 0 HB THR A 22 9.719 -1.901 -6.854 1.00 51.20 H new ATOM 0 HG1 THR A 22 11.420 -0.028 -6.611 1.00 4.05 H new ATOM 0 HG21 THR A 22 10.636 -2.553 -9.050 1.00 33.42 H new ATOM 0 HG22 THR A 22 8.956 -1.980 -9.182 1.00 33.42 H new ATOM 0 HG23 THR A 22 10.299 -0.919 -9.670 1.00 33.42 H new ATOM 15 N PRO A 23 6.788 0.637 -7.678 1.00 70.32 N ATOM 16 CA PRO A 23 5.353 0.374 -7.821 1.00 60.35 C ATOM 17 C PRO A 23 5.015 -0.284 -9.155 1.00 55.20 C ATOM 18 O PRO A 23 5.131 0.322 -10.221 1.00 22.15 O ATOM 19 CB PRO A 23 4.727 1.768 -7.739 1.00 32.05 C ATOM 20 CG PRO A 23 5.805 2.695 -8.183 1.00 24.33 C ATOM 21 CD PRO A 23 7.097 2.076 -7.726 1.00 64.40 C ATOM 0 HA PRO A 23 4.988 -0.318 -7.062 1.00 60.35 H new ATOM 0 HB2 PRO A 23 3.849 1.846 -8.380 1.00 32.05 H new ATOM 0 HB3 PRO A 23 4.402 1.997 -6.724 1.00 32.05 H new ATOM 0 HG2 PRO A 23 5.793 2.818 -9.266 1.00 24.33 H new ATOM 0 HG3 PRO A 23 5.672 3.686 -7.748 1.00 24.33 H new ATOM 0 HD2 PRO A 23 7.912 2.289 -8.418 1.00 64.40 H new ATOM 0 HD3 PRO A 23 7.401 2.455 -6.750 1.00 64.40 H new ATOM 29 N PRO A 24 4.584 -1.553 -9.098 1.00 5.03 N ATOM 30 CA PRO A 24 4.219 -2.320 -10.293 1.00 2.35 C ATOM 31 C PRO A 24 2.935 -1.811 -10.938 1.00 12.51 C ATOM 32 O PRO A 24 1.960 -1.506 -10.249 1.00 63.41 O ATOM 33 CB PRO A 24 4.022 -3.740 -9.756 1.00 55.31 C ATOM 34 CG PRO A 24 3.670 -3.557 -8.320 1.00 50.50 C ATOM 35 CD PRO A 24 4.421 -2.337 -7.862 1.00 61.10 C ATOM 0 HA PRO A 24 4.977 -2.246 -11.073 1.00 2.35 H new ATOM 0 HB2 PRO A 24 3.230 -4.260 -10.294 1.00 55.31 H new ATOM 0 HB3 PRO A 24 4.928 -4.335 -9.869 1.00 55.31 H new ATOM 0 HG2 PRO A 24 2.595 -3.423 -8.196 1.00 50.50 H new ATOM 0 HG3 PRO A 24 3.952 -4.432 -7.734 1.00 50.50 H new ATOM 0 HD2 PRO A 24 3.865 -1.783 -7.105 1.00 61.10 H new ATOM 0 HD3 PRO A 24 5.383 -2.599 -7.422 1.00 61.10 H new ATOM 43 N HIS A 25 2.940 -1.720 -12.264 1.00 72.21 N ATOM 44 CA HIS A 25 1.774 -1.249 -13.003 1.00 13.54 C ATOM 45 C HIS A 25 1.017 -2.417 -13.628 1.00 4.14 C ATOM 46 O HIS A 25 1.431 -2.962 -14.652 1.00 15.40 O ATOM 47 CB HIS A 25 2.198 -0.260 -14.090 1.00 34.35 C ATOM 48 CG HIS A 25 2.153 1.170 -13.649 1.00 1.43 C ATOM 49 ND1 HIS A 25 3.247 2.009 -13.702 1.00 33.40 N ATOM 50 CD2 HIS A 25 1.138 1.911 -13.146 1.00 75.22 C ATOM 51 CE1 HIS A 25 2.906 3.202 -13.250 1.00 2.23 C ATOM 52 NE2 HIS A 25 1.631 3.170 -12.906 1.00 62.53 N ATOM 0 H HIS A 25 3.739 -1.966 -12.849 1.00 72.21 H new ATOM 0 HA HIS A 25 1.110 -0.744 -12.301 1.00 13.54 H new ATOM 0 HB2 HIS A 25 3.211 -0.500 -14.413 1.00 34.35 H new ATOM 0 HB3 HIS A 25 1.549 -0.385 -14.957 1.00 34.35 H new ATOM 0 HD2 HIS A 25 0.128 1.574 -12.967 1.00 75.22 H new ATOM 0 HE1 HIS A 25 3.559 4.059 -13.174 1.00 2.23 H new ATOM 0 HE2 HIS A 25 1.100 3.953 -12.524 1.00 62.53 H new ATOM 60 N THR A 26 -0.093 -2.798 -13.004 1.00 20.51 N ATOM 61 CA THR A 26 -0.906 -3.903 -13.497 1.00 42.04 C ATOM 62 C THR A 26 -1.916 -3.422 -14.533 1.00 62.51 C ATOM 63 O THR A 26 -1.984 -3.955 -15.640 1.00 63.31 O ATOM 64 CB THR A 26 -1.658 -4.603 -12.350 1.00 62.50 C ATOM 65 OG1 THR A 26 -2.156 -3.631 -11.425 1.00 3.43 O ATOM 66 CG2 THR A 26 -0.747 -5.582 -11.624 1.00 10.12 C ATOM 0 H THR A 26 -0.450 -2.358 -12.156 1.00 20.51 H new ATOM 0 HA THR A 26 -0.224 -4.615 -13.961 1.00 42.04 H new ATOM 0 HB THR A 26 -2.493 -5.157 -12.778 1.00 62.50 H new ATOM 0 HG1 THR A 26 -2.634 -4.085 -10.700 1.00 3.43 H new ATOM 0 HG21 THR A 26 -1.300 -6.064 -10.818 1.00 10.12 H new ATOM 0 HG22 THR A 26 -0.393 -6.338 -12.325 1.00 10.12 H new ATOM 0 HG23 THR A 26 0.106 -5.046 -11.208 1.00 10.12 H new ATOM 74 N GLU A 27 -2.698 -2.412 -14.166 1.00 30.21 N ATOM 75 CA GLU A 27 -3.705 -1.861 -15.065 1.00 42.30 C ATOM 76 C GLU A 27 -3.578 -0.343 -15.158 1.00 40.14 C ATOM 77 O GLU A 27 -3.030 0.315 -14.274 1.00 12.23 O ATOM 78 CB GLU A 27 -5.109 -2.238 -14.587 1.00 43.33 C ATOM 79 CG GLU A 27 -5.288 -2.135 -13.082 1.00 5.41 C ATOM 80 CD GLU A 27 -6.743 -2.198 -12.662 1.00 31.23 C ATOM 81 OE1 GLU A 27 -7.559 -1.443 -13.230 1.00 1.21 O ATOM 82 OE2 GLU A 27 -7.066 -3.004 -11.764 1.00 70.41 O ATOM 0 H GLU A 27 -2.654 -1.959 -13.253 1.00 30.21 H new ATOM 0 HA GLU A 27 -3.541 -2.284 -16.056 1.00 42.30 H new ATOM 0 HB2 GLU A 27 -5.836 -1.590 -15.076 1.00 43.33 H new ATOM 0 HB3 GLU A 27 -5.329 -3.258 -14.902 1.00 43.33 H new ATOM 0 HG2 GLU A 27 -4.739 -2.943 -12.598 1.00 5.41 H new ATOM 0 HG3 GLU A 27 -4.853 -1.199 -12.731 1.00 5.41 H new ATOM 89 N PRO A 28 -4.096 0.227 -16.256 1.00 41.34 N ATOM 90 CA PRO A 28 -4.053 1.673 -16.493 1.00 13.44 C ATOM 91 C PRO A 28 -4.966 2.443 -15.544 1.00 24.15 C ATOM 92 O PRO A 28 -4.553 3.429 -14.933 1.00 64.13 O ATOM 93 CB PRO A 28 -4.544 1.812 -17.936 1.00 32.22 C ATOM 94 CG PRO A 28 -5.385 0.604 -18.167 1.00 70.04 C ATOM 95 CD PRO A 28 -4.763 -0.496 -17.352 1.00 15.22 C ATOM 0 HA PRO A 28 -3.057 2.083 -16.326 1.00 13.44 H new ATOM 0 HB2 PRO A 28 -5.120 2.727 -18.072 1.00 32.22 H new ATOM 0 HB3 PRO A 28 -3.710 1.853 -18.636 1.00 32.22 H new ATOM 0 HG2 PRO A 28 -6.416 0.782 -17.860 1.00 70.04 H new ATOM 0 HG3 PRO A 28 -5.408 0.341 -19.225 1.00 70.04 H new ATOM 0 HD2 PRO A 28 -5.514 -1.191 -16.976 1.00 15.22 H new ATOM 0 HD3 PRO A 28 -4.054 -1.079 -17.939 1.00 15.22 H new ATOM 103 N SER A 29 -6.208 1.986 -15.424 1.00 21.45 N ATOM 104 CA SER A 29 -7.180 2.634 -14.551 1.00 20.53 C ATOM 105 C SER A 29 -7.468 4.057 -15.020 1.00 24.53 C ATOM 106 O SER A 29 -7.026 5.025 -14.402 1.00 51.35 O ATOM 107 CB SER A 29 -6.669 2.653 -13.109 1.00 1.22 C ATOM 108 OG SER A 29 -6.231 1.367 -12.705 1.00 40.24 O ATOM 0 H SER A 29 -6.565 1.170 -15.920 1.00 21.45 H new ATOM 0 HA SER A 29 -8.107 2.062 -14.593 1.00 20.53 H new ATOM 0 HB2 SER A 29 -5.848 3.364 -13.020 1.00 1.22 H new ATOM 0 HB3 SER A 29 -7.461 2.996 -12.444 1.00 1.22 H new ATOM 0 HG SER A 29 -6.856 0.689 -13.037 1.00 40.24 H new ATOM 114 N GLN A 30 -8.211 4.173 -16.116 1.00 24.24 N ATOM 115 CA GLN A 30 -8.557 5.477 -16.668 1.00 62.14 C ATOM 116 C GLN A 30 -9.929 5.929 -16.179 1.00 61.42 C ATOM 117 O GLN A 30 -10.605 6.719 -16.838 1.00 31.12 O ATOM 118 CB GLN A 30 -8.538 5.428 -18.197 1.00 71.31 C ATOM 119 CG GLN A 30 -7.294 4.767 -18.769 1.00 51.43 C ATOM 120 CD GLN A 30 -7.382 4.556 -20.268 1.00 13.31 C ATOM 121 OE1 GLN A 30 -7.044 3.487 -20.777 1.00 13.22 O ATOM 122 NE2 GLN A 30 -7.839 5.577 -20.984 1.00 45.30 N ATOM 0 H GLN A 30 -8.584 3.381 -16.639 1.00 24.24 H new ATOM 0 HA GLN A 30 -7.814 6.197 -16.325 1.00 62.14 H new ATOM 0 HB2 GLN A 30 -9.419 4.889 -18.546 1.00 71.31 H new ATOM 0 HB3 GLN A 30 -8.611 6.444 -18.586 1.00 71.31 H new ATOM 0 HG2 GLN A 30 -6.423 5.383 -18.543 1.00 51.43 H new ATOM 0 HG3 GLN A 30 -7.140 3.806 -18.279 1.00 51.43 H new ATOM 0 HE21 GLN A 30 -8.108 6.445 -20.521 1.00 45.30 H new ATOM 0 HE22 GLN A 30 -7.921 5.493 -21.997 1.00 45.30 H new ATOM 131 N VAL A 31 -10.335 5.421 -15.019 1.00 42.35 N ATOM 132 CA VAL A 31 -11.626 5.773 -14.441 1.00 53.13 C ATOM 133 C VAL A 31 -11.515 5.983 -12.935 1.00 53.14 C ATOM 134 O VAL A 31 -10.619 5.443 -12.287 1.00 35.45 O ATOM 135 CB VAL A 31 -12.681 4.686 -14.721 1.00 11.03 C ATOM 136 CG1 VAL A 31 -12.777 4.405 -16.213 1.00 4.35 C ATOM 137 CG2 VAL A 31 -12.353 3.416 -13.951 1.00 32.33 C ATOM 0 H VAL A 31 -9.788 4.765 -14.462 1.00 42.35 H new ATOM 0 HA VAL A 31 -11.941 6.704 -14.912 1.00 53.13 H new ATOM 0 HB VAL A 31 -13.651 5.050 -14.382 1.00 11.03 H new ATOM 0 HG11 VAL A 31 -13.527 3.635 -16.391 1.00 4.35 H new ATOM 0 HG12 VAL A 31 -13.062 5.317 -16.737 1.00 4.35 H new ATOM 0 HG13 VAL A 31 -11.810 4.062 -16.582 1.00 4.35 H new ATOM 0 HG21 VAL A 31 -13.108 2.658 -14.160 1.00 32.33 H new ATOM 0 HG22 VAL A 31 -11.374 3.047 -14.258 1.00 32.33 H new ATOM 0 HG23 VAL A 31 -12.341 3.631 -12.883 1.00 32.33 H new ATOM 147 N VAL A 32 -12.432 6.772 -12.384 1.00 74.12 N ATOM 148 CA VAL A 32 -12.439 7.053 -10.954 1.00 32.45 C ATOM 149 C VAL A 32 -13.809 6.774 -10.345 1.00 71.13 C ATOM 150 O VAL A 32 -14.841 7.062 -10.953 1.00 61.33 O ATOM 151 CB VAL A 32 -12.050 8.515 -10.667 1.00 13.13 C ATOM 152 CG1 VAL A 32 -10.780 8.887 -11.416 1.00 23.32 C ATOM 153 CG2 VAL A 32 -13.191 9.452 -11.037 1.00 25.40 C ATOM 0 H VAL A 32 -13.180 7.228 -12.907 1.00 74.12 H new ATOM 0 HA VAL A 32 -11.701 6.393 -10.499 1.00 32.45 H new ATOM 0 HB VAL A 32 -11.857 8.618 -9.599 1.00 13.13 H new ATOM 0 HG11 VAL A 32 -10.521 9.924 -11.201 1.00 23.32 H new ATOM 0 HG12 VAL A 32 -9.966 8.236 -11.098 1.00 23.32 H new ATOM 0 HG13 VAL A 32 -10.942 8.768 -12.487 1.00 23.32 H new ATOM 0 HG21 VAL A 32 -12.899 10.481 -10.828 1.00 25.40 H new ATOM 0 HG22 VAL A 32 -13.418 9.348 -12.098 1.00 25.40 H new ATOM 0 HG23 VAL A 32 -14.074 9.199 -10.451 1.00 25.40 H new ATOM 163 N LEU A 33 -13.812 6.212 -9.141 1.00 54.34 N ATOM 164 CA LEU A 33 -15.056 5.894 -8.449 1.00 14.52 C ATOM 165 C LEU A 33 -15.281 6.839 -7.273 1.00 14.24 C ATOM 166 O LEU A 33 -14.455 6.922 -6.363 1.00 71.24 O ATOM 167 CB LEU A 33 -15.034 4.446 -7.957 1.00 43.13 C ATOM 168 CG LEU A 33 -15.884 4.143 -6.723 1.00 61.21 C ATOM 169 CD1 LEU A 33 -17.333 4.536 -6.963 1.00 51.34 C ATOM 170 CD2 LEU A 33 -15.783 2.670 -6.355 1.00 73.41 C ATOM 0 H LEU A 33 -12.967 5.967 -8.624 1.00 54.34 H new ATOM 0 HA LEU A 33 -15.877 6.019 -9.155 1.00 14.52 H new ATOM 0 HB2 LEU A 33 -15.368 3.802 -8.770 1.00 43.13 H new ATOM 0 HB3 LEU A 33 -14.002 4.173 -7.738 1.00 43.13 H new ATOM 0 HG LEU A 33 -15.503 4.733 -5.889 1.00 61.21 H new ATOM 0 HD11 LEU A 33 -17.923 4.313 -6.074 1.00 51.34 H new ATOM 0 HD12 LEU A 33 -17.390 5.603 -7.178 1.00 51.34 H new ATOM 0 HD13 LEU A 33 -17.727 3.974 -7.810 1.00 51.34 H new ATOM 0 HD21 LEU A 33 -16.394 2.472 -5.474 1.00 73.41 H new ATOM 0 HD22 LEU A 33 -16.138 2.062 -7.187 1.00 73.41 H new ATOM 0 HD23 LEU A 33 -14.744 2.419 -6.139 1.00 73.41 H new ATOM 182 N ILE A 34 -16.405 7.548 -7.296 1.00 72.32 N ATOM 183 CA ILE A 34 -16.740 8.484 -6.230 1.00 71.42 C ATOM 184 C ILE A 34 -17.898 7.963 -5.385 1.00 51.24 C ATOM 185 O ILE A 34 -18.782 7.266 -5.885 1.00 13.52 O ATOM 186 CB ILE A 34 -17.112 9.868 -6.793 1.00 3.32 C ATOM 187 CG1 ILE A 34 -18.321 9.757 -7.724 1.00 21.03 C ATOM 188 CG2 ILE A 34 -15.926 10.478 -7.526 1.00 71.52 C ATOM 189 CD1 ILE A 34 -17.955 9.754 -9.192 1.00 12.55 C ATOM 0 H ILE A 34 -17.099 7.492 -8.041 1.00 72.32 H new ATOM 0 HA ILE A 34 -15.852 8.582 -5.605 1.00 71.42 H new ATOM 0 HB ILE A 34 -17.377 10.522 -5.962 1.00 3.32 H new ATOM 0 HG12 ILE A 34 -18.865 8.842 -7.492 1.00 21.03 H new ATOM 0 HG13 ILE A 34 -18.998 10.589 -7.528 1.00 21.03 H new ATOM 0 HG21 ILE A 34 -16.205 11.456 -7.918 1.00 71.52 H new ATOM 0 HG22 ILE A 34 -15.090 10.589 -6.836 1.00 71.52 H new ATOM 0 HG23 ILE A 34 -15.633 9.827 -8.350 1.00 71.52 H new ATOM 0 HD11 ILE A 34 -18.861 9.673 -9.793 1.00 12.55 H new ATOM 0 HD12 ILE A 34 -17.437 10.681 -9.440 1.00 12.55 H new ATOM 0 HD13 ILE A 34 -17.303 8.906 -9.403 1.00 12.55 H new ATOM 201 N THR A 35 -17.888 8.307 -4.101 1.00 53.43 N ATOM 202 CA THR A 35 -18.937 7.876 -3.186 1.00 54.03 C ATOM 203 C THR A 35 -19.215 8.938 -2.129 1.00 33.15 C ATOM 204 O THR A 35 -18.660 10.035 -2.176 1.00 73.30 O ATOM 205 CB THR A 35 -18.564 6.556 -2.486 1.00 75.43 C ATOM 206 OG1 THR A 35 -17.440 6.759 -1.623 1.00 13.30 O ATOM 207 CG2 THR A 35 -18.238 5.476 -3.507 1.00 24.33 C ATOM 0 H THR A 35 -17.164 8.883 -3.671 1.00 53.43 H new ATOM 0 HA THR A 35 -19.834 7.720 -3.785 1.00 54.03 H new ATOM 0 HB THR A 35 -19.420 6.229 -1.895 1.00 75.43 H new ATOM 0 HG1 THR A 35 -17.211 5.915 -1.181 1.00 13.30 H new ATOM 0 HG21 THR A 35 -17.977 4.553 -2.989 1.00 24.33 H new ATOM 0 HG22 THR A 35 -19.106 5.303 -4.143 1.00 24.33 H new ATOM 0 HG23 THR A 35 -17.397 5.798 -4.121 1.00 24.33 H new ATOM 215 N ASN A 36 -20.078 8.604 -1.174 1.00 3.21 N ATOM 216 CA ASN A 36 -20.429 9.530 -0.103 1.00 40.24 C ATOM 217 C ASN A 36 -21.143 10.759 -0.659 1.00 60.42 C ATOM 218 O ASN A 36 -21.155 11.818 -0.032 1.00 50.55 O ATOM 219 CB ASN A 36 -19.175 9.958 0.661 1.00 3.02 C ATOM 220 CG ASN A 36 -19.455 10.230 2.126 1.00 14.34 C ATOM 221 OD1 ASN A 36 -20.398 10.945 2.467 1.00 50.41 O ATOM 222 ND2 ASN A 36 -18.636 9.660 3.002 1.00 62.23 N ATOM 0 H ASN A 36 -20.547 7.700 -1.120 1.00 3.21 H new ATOM 0 HA ASN A 36 -21.105 9.016 0.580 1.00 40.24 H new ATOM 0 HB2 ASN A 36 -18.418 9.178 0.577 1.00 3.02 H new ATOM 0 HB3 ASN A 36 -18.761 10.855 0.200 1.00 3.02 H new ATOM 0 HD21 ASN A 36 -18.776 9.807 4.002 1.00 62.23 H new ATOM 0 HD22 ASN A 36 -17.867 9.075 2.675 1.00 62.23 H new ATOM 229 N ILE A 37 -21.737 10.608 -1.838 1.00 70.21 N ATOM 230 CA ILE A 37 -22.454 11.704 -2.477 1.00 75.12 C ATOM 231 C ILE A 37 -23.919 11.723 -2.054 1.00 75.43 C ATOM 232 O ILE A 37 -24.568 10.680 -1.980 1.00 62.23 O ATOM 233 CB ILE A 37 -22.376 11.609 -4.012 1.00 71.24 C ATOM 234 CG1 ILE A 37 -22.854 10.234 -4.485 1.00 51.30 C ATOM 235 CG2 ILE A 37 -20.955 11.874 -4.488 1.00 34.14 C ATOM 236 CD1 ILE A 37 -22.983 10.123 -5.988 1.00 43.21 C ATOM 0 H ILE A 37 -21.736 9.738 -2.370 1.00 70.21 H new ATOM 0 HA ILE A 37 -21.973 12.627 -2.153 1.00 75.12 H new ATOM 0 HB ILE A 37 -23.030 12.368 -4.442 1.00 71.24 H new ATOM 0 HG12 ILE A 37 -22.157 9.475 -4.131 1.00 51.30 H new ATOM 0 HG13 ILE A 37 -23.820 10.017 -4.029 1.00 51.30 H new ATOM 0 HG21 ILE A 37 -20.916 11.803 -5.575 1.00 34.14 H new ATOM 0 HG22 ILE A 37 -20.648 12.873 -4.178 1.00 34.14 H new ATOM 0 HG23 ILE A 37 -20.282 11.136 -4.052 1.00 34.14 H new ATOM 0 HD11 ILE A 37 -23.326 9.122 -6.251 1.00 43.21 H new ATOM 0 HD12 ILE A 37 -23.703 10.859 -6.347 1.00 43.21 H new ATOM 0 HD13 ILE A 37 -22.014 10.308 -6.451 1.00 43.21 H new ATOM 248 N ASN A 38 -24.435 12.916 -1.780 1.00 12.34 N ATOM 249 CA ASN A 38 -25.825 13.072 -1.365 1.00 61.52 C ATOM 250 C ASN A 38 -26.770 12.878 -2.547 1.00 62.52 C ATOM 251 O ASN A 38 -26.711 13.596 -3.545 1.00 53.22 O ATOM 252 CB ASN A 38 -26.043 14.453 -0.745 1.00 43.22 C ATOM 253 CG ASN A 38 -26.659 14.375 0.638 1.00 1.43 C ATOM 254 OD1 ASN A 38 -27.876 14.256 0.782 1.00 3.22 O ATOM 255 ND2 ASN A 38 -25.819 14.443 1.665 1.00 42.04 N ATOM 0 H ASN A 38 -23.912 13.790 -1.838 1.00 12.34 H new ATOM 0 HA ASN A 38 -26.043 12.308 -0.618 1.00 61.52 H new ATOM 0 HB2 ASN A 38 -25.089 14.976 -0.686 1.00 43.22 H new ATOM 0 HB3 ASN A 38 -26.690 15.042 -1.395 1.00 43.22 H new ATOM 0 HD21 ASN A 38 -26.176 14.397 2.619 1.00 42.04 H new ATOM 0 HD22 ASN A 38 -24.817 14.542 1.499 1.00 42.04 H new ATOM 262 N PRO A 39 -27.663 11.883 -2.434 1.00 0.33 N ATOM 263 CA PRO A 39 -28.639 11.572 -3.483 1.00 4.03 C ATOM 264 C PRO A 39 -29.709 12.650 -3.617 1.00 62.22 C ATOM 265 O PRO A 39 -30.531 12.610 -4.532 1.00 22.51 O ATOM 266 CB PRO A 39 -29.261 10.256 -3.009 1.00 12.41 C ATOM 267 CG PRO A 39 -29.083 10.264 -1.530 1.00 23.21 C ATOM 268 CD PRO A 39 -27.790 10.987 -1.272 1.00 64.24 C ATOM 0 HA PRO A 39 -28.174 11.510 -4.467 1.00 4.03 H new ATOM 0 HB2 PRO A 39 -30.315 10.196 -3.281 1.00 12.41 H new ATOM 0 HB3 PRO A 39 -28.765 9.398 -3.463 1.00 12.41 H new ATOM 0 HG2 PRO A 39 -29.916 10.767 -1.039 1.00 23.21 H new ATOM 0 HG3 PRO A 39 -29.048 9.248 -1.136 1.00 23.21 H new ATOM 0 HD2 PRO A 39 -27.821 11.545 -0.336 1.00 64.24 H new ATOM 0 HD3 PRO A 39 -26.950 10.296 -1.204 1.00 64.24 H new ATOM 276 N GLU A 40 -29.692 13.612 -2.700 1.00 42.22 N ATOM 277 CA GLU A 40 -30.662 14.700 -2.718 1.00 11.52 C ATOM 278 C GLU A 40 -30.711 15.364 -4.091 1.00 63.02 C ATOM 279 O GLU A 40 -31.741 15.902 -4.497 1.00 60.22 O ATOM 280 CB GLU A 40 -30.316 15.739 -1.649 1.00 41.53 C ATOM 281 CG GLU A 40 -30.896 15.422 -0.281 1.00 51.33 C ATOM 282 CD GLU A 40 -31.337 16.665 0.468 1.00 62.21 C ATOM 283 OE1 GLU A 40 -30.457 17.441 0.897 1.00 35.14 O ATOM 284 OE2 GLU A 40 -32.560 16.861 0.625 1.00 42.10 O ATOM 0 H GLU A 40 -29.018 13.660 -1.936 1.00 42.22 H new ATOM 0 HA GLU A 40 -31.644 14.280 -2.502 1.00 11.52 H new ATOM 0 HB2 GLU A 40 -29.232 15.815 -1.566 1.00 41.53 H new ATOM 0 HB3 GLU A 40 -30.680 16.715 -1.971 1.00 41.53 H new ATOM 0 HG2 GLU A 40 -31.747 14.752 -0.398 1.00 51.33 H new ATOM 0 HG3 GLU A 40 -30.151 14.891 0.311 1.00 51.33 H new ATOM 291 N VAL A 41 -29.588 15.322 -4.802 1.00 52.21 N ATOM 292 CA VAL A 41 -29.502 15.918 -6.130 1.00 4.31 C ATOM 293 C VAL A 41 -29.753 14.879 -7.216 1.00 62.34 C ATOM 294 O VAL A 41 -29.213 13.772 -7.189 1.00 12.55 O ATOM 295 CB VAL A 41 -28.125 16.568 -6.365 1.00 20.12 C ATOM 296 CG1 VAL A 41 -27.014 15.546 -6.179 1.00 5.20 C ATOM 297 CG2 VAL A 41 -28.060 17.192 -7.750 1.00 54.15 C ATOM 0 H VAL A 41 -28.726 14.882 -4.480 1.00 52.21 H new ATOM 0 HA VAL A 41 -30.273 16.687 -6.182 1.00 4.31 H new ATOM 0 HB VAL A 41 -27.985 17.359 -5.628 1.00 20.12 H new ATOM 0 HG11 VAL A 41 -26.049 16.023 -6.349 1.00 5.20 H new ATOM 0 HG12 VAL A 41 -27.050 15.150 -5.164 1.00 5.20 H new ATOM 0 HG13 VAL A 41 -27.146 14.731 -6.891 1.00 5.20 H new ATOM 0 HG21 VAL A 41 -27.080 17.646 -7.899 1.00 54.15 H new ATOM 0 HG22 VAL A 41 -28.221 16.422 -8.504 1.00 54.15 H new ATOM 0 HG23 VAL A 41 -28.832 17.956 -7.841 1.00 54.15 H new ATOM 307 N PRO A 42 -30.592 15.240 -8.199 1.00 3.35 N ATOM 308 CA PRO A 42 -30.933 14.353 -9.314 1.00 52.25 C ATOM 309 C PRO A 42 -29.759 14.137 -10.263 1.00 54.14 C ATOM 310 O PRO A 42 -28.996 15.061 -10.544 1.00 2.21 O ATOM 311 CB PRO A 42 -32.066 15.098 -10.026 1.00 23.12 C ATOM 312 CG PRO A 42 -31.850 16.532 -9.683 1.00 72.42 C ATOM 313 CD PRO A 42 -31.271 16.543 -8.296 1.00 0.24 C ATOM 0 HA PRO A 42 -31.209 13.356 -8.972 1.00 52.25 H new ATOM 0 HB2 PRO A 42 -32.029 14.939 -11.104 1.00 23.12 H new ATOM 0 HB3 PRO A 42 -33.042 14.752 -9.686 1.00 23.12 H new ATOM 0 HG2 PRO A 42 -31.172 17.005 -10.393 1.00 72.42 H new ATOM 0 HG3 PRO A 42 -32.787 17.087 -9.719 1.00 72.42 H new ATOM 0 HD2 PRO A 42 -30.575 17.370 -8.158 1.00 0.24 H new ATOM 0 HD3 PRO A 42 -32.047 16.649 -7.538 1.00 0.24 H new ATOM 321 N LYS A 43 -29.621 12.911 -10.756 1.00 23.22 N ATOM 322 CA LYS A 43 -28.541 12.573 -11.675 1.00 62.43 C ATOM 323 C LYS A 43 -28.433 13.606 -12.792 1.00 10.22 C ATOM 324 O LYS A 43 -27.340 13.899 -13.274 1.00 43.52 O ATOM 325 CB LYS A 43 -28.769 11.182 -12.273 1.00 40.41 C ATOM 326 CG LYS A 43 -27.895 10.888 -13.480 1.00 1.40 C ATOM 327 CD LYS A 43 -28.646 11.117 -14.781 1.00 45.12 C ATOM 328 CE LYS A 43 -28.035 10.321 -15.924 1.00 70.22 C ATOM 329 NZ LYS A 43 -29.004 9.348 -16.502 1.00 45.42 N ATOM 0 H LYS A 43 -30.244 12.135 -10.534 1.00 23.22 H new ATOM 0 HA LYS A 43 -27.607 12.572 -11.113 1.00 62.43 H new ATOM 0 HB2 LYS A 43 -28.580 10.431 -11.506 1.00 40.41 H new ATOM 0 HB3 LYS A 43 -29.816 11.087 -12.561 1.00 40.41 H new ATOM 0 HG2 LYS A 43 -27.010 11.524 -13.453 1.00 1.40 H new ATOM 0 HG3 LYS A 43 -27.548 9.856 -13.436 1.00 1.40 H new ATOM 0 HD2 LYS A 43 -29.690 10.832 -14.655 1.00 45.12 H new ATOM 0 HD3 LYS A 43 -28.633 12.179 -15.028 1.00 45.12 H new ATOM 0 HE2 LYS A 43 -27.698 11.005 -16.703 1.00 70.22 H new ATOM 0 HE3 LYS A 43 -27.155 9.788 -15.565 1.00 70.22 H new ATOM 0 HZ1 LYS A 43 -28.550 8.825 -17.278 1.00 45.42 H new ATOM 0 HZ2 LYS A 43 -29.307 8.680 -15.765 1.00 45.42 H new ATOM 0 HZ3 LYS A 43 -29.833 9.859 -16.867 1.00 45.42 H new ATOM 343 N GLU A 44 -29.574 14.155 -13.196 1.00 53.30 N ATOM 344 CA GLU A 44 -29.606 15.157 -14.255 1.00 71.13 C ATOM 345 C GLU A 44 -28.597 16.269 -13.983 1.00 71.13 C ATOM 346 O GLU A 44 -27.734 16.557 -14.813 1.00 54.10 O ATOM 347 CB GLU A 44 -31.011 15.749 -14.386 1.00 31.21 C ATOM 348 CG GLU A 44 -31.837 15.118 -15.494 1.00 62.25 C ATOM 349 CD GLU A 44 -33.198 15.767 -15.649 1.00 74.13 C ATOM 350 OE1 GLU A 44 -33.778 16.180 -14.623 1.00 51.11 O ATOM 351 OE2 GLU A 44 -33.684 15.861 -16.796 1.00 14.54 O ATOM 0 H GLU A 44 -30.488 13.923 -12.806 1.00 53.30 H new ATOM 0 HA GLU A 44 -29.337 14.667 -15.191 1.00 71.13 H new ATOM 0 HB2 GLU A 44 -31.537 15.628 -13.439 1.00 31.21 H new ATOM 0 HB3 GLU A 44 -30.929 16.820 -14.571 1.00 31.21 H new ATOM 0 HG2 GLU A 44 -31.293 15.194 -16.436 1.00 62.25 H new ATOM 0 HG3 GLU A 44 -31.967 14.056 -15.286 1.00 62.25 H new ATOM 358 N LYS A 45 -28.712 16.891 -12.815 1.00 11.11 N ATOM 359 CA LYS A 45 -27.811 17.971 -12.431 1.00 11.22 C ATOM 360 C LYS A 45 -26.525 17.418 -11.826 1.00 20.42 C ATOM 361 O LYS A 45 -25.430 17.896 -12.125 1.00 10.45 O ATOM 362 CB LYS A 45 -28.497 18.904 -11.431 1.00 15.25 C ATOM 363 CG LYS A 45 -29.564 19.787 -12.055 1.00 71.12 C ATOM 364 CD LYS A 45 -30.914 19.090 -12.092 1.00 64.53 C ATOM 365 CE LYS A 45 -31.794 19.518 -10.929 1.00 34.44 C ATOM 366 NZ LYS A 45 -32.114 20.971 -10.980 1.00 40.11 N ATOM 0 H LYS A 45 -29.421 16.666 -12.117 1.00 11.11 H new ATOM 0 HA LYS A 45 -27.556 18.534 -13.329 1.00 11.22 H new ATOM 0 HB2 LYS A 45 -28.949 18.306 -10.640 1.00 15.25 H new ATOM 0 HB3 LYS A 45 -27.744 19.536 -10.961 1.00 15.25 H new ATOM 0 HG2 LYS A 45 -29.648 20.714 -11.488 1.00 71.12 H new ATOM 0 HG3 LYS A 45 -29.266 20.059 -13.068 1.00 71.12 H new ATOM 0 HD2 LYS A 45 -31.416 19.317 -13.032 1.00 64.53 H new ATOM 0 HD3 LYS A 45 -30.768 18.010 -12.061 1.00 64.53 H new ATOM 0 HE2 LYS A 45 -32.719 18.942 -10.943 1.00 34.44 H new ATOM 0 HE3 LYS A 45 -31.290 19.290 -9.990 1.00 34.44 H new ATOM 0 HZ1 LYS A 45 -33.037 21.139 -10.531 1.00 40.11 H new ATOM 0 HZ2 LYS A 45 -31.380 21.506 -10.473 1.00 40.11 H new ATOM 0 HZ3 LYS A 45 -32.149 21.284 -11.971 1.00 40.11 H new ATOM 380 N LEU A 46 -26.664 16.406 -10.976 1.00 0.44 N ATOM 381 CA LEU A 46 -25.512 15.786 -10.330 1.00 14.24 C ATOM 382 C LEU A 46 -24.469 15.369 -11.361 1.00 30.51 C ATOM 383 O LEU A 46 -23.286 15.678 -11.220 1.00 71.53 O ATOM 384 CB LEU A 46 -25.954 14.570 -9.513 1.00 54.42 C ATOM 385 CG LEU A 46 -25.065 13.331 -9.620 1.00 1.13 C ATOM 386 CD1 LEU A 46 -23.683 13.615 -9.051 1.00 14.21 C ATOM 387 CD2 LEU A 46 -25.706 12.151 -8.904 1.00 12.32 C ATOM 0 H LEU A 46 -27.562 15.998 -10.718 1.00 0.44 H new ATOM 0 HA LEU A 46 -25.062 16.520 -9.662 1.00 14.24 H new ATOM 0 HB2 LEU A 46 -26.010 14.863 -8.465 1.00 54.42 H new ATOM 0 HB3 LEU A 46 -26.963 14.297 -9.822 1.00 54.42 H new ATOM 0 HG LEU A 46 -24.956 13.075 -10.674 1.00 1.13 H new ATOM 0 HD11 LEU A 46 -23.064 12.722 -9.136 1.00 14.21 H new ATOM 0 HD12 LEU A 46 -23.221 14.431 -9.607 1.00 14.21 H new ATOM 0 HD13 LEU A 46 -23.772 13.896 -8.002 1.00 14.21 H new ATOM 0 HD21 LEU A 46 -25.059 11.278 -8.991 1.00 12.32 H new ATOM 0 HD22 LEU A 46 -25.845 12.396 -7.851 1.00 12.32 H new ATOM 0 HD23 LEU A 46 -26.673 11.932 -9.357 1.00 12.32 H new ATOM 399 N GLN A 47 -24.917 14.667 -12.397 1.00 65.21 N ATOM 400 CA GLN A 47 -24.021 14.209 -13.453 1.00 30.43 C ATOM 401 C GLN A 47 -23.390 15.390 -14.182 1.00 3.01 C ATOM 402 O GLN A 47 -22.175 15.436 -14.374 1.00 51.10 O ATOM 403 CB GLN A 47 -24.779 13.327 -14.446 1.00 60.44 C ATOM 404 CG GLN A 47 -23.894 12.730 -15.528 1.00 64.34 C ATOM 405 CD GLN A 47 -24.577 12.682 -16.881 1.00 22.32 C ATOM 406 OE1 GLN A 47 -24.880 11.606 -17.398 1.00 43.24 O ATOM 407 NE2 GLN A 47 -24.824 13.850 -17.461 1.00 42.15 N ATOM 0 H GLN A 47 -25.894 14.403 -12.528 1.00 65.21 H new ATOM 0 HA GLN A 47 -23.225 13.624 -12.992 1.00 30.43 H new ATOM 0 HB2 GLN A 47 -25.268 12.519 -13.902 1.00 60.44 H new ATOM 0 HB3 GLN A 47 -25.566 13.917 -14.916 1.00 60.44 H new ATOM 0 HG2 GLN A 47 -22.979 13.317 -15.608 1.00 64.34 H new ATOM 0 HG3 GLN A 47 -23.602 11.721 -15.237 1.00 64.34 H new ATOM 0 HE21 GLN A 47 -24.555 14.717 -16.996 1.00 42.15 H new ATOM 0 HE22 GLN A 47 -25.282 13.880 -18.372 1.00 42.15 H new ATOM 416 N ALA A 48 -24.223 16.343 -14.586 1.00 41.22 N ATOM 417 CA ALA A 48 -23.746 17.526 -15.293 1.00 30.52 C ATOM 418 C ALA A 48 -22.710 18.279 -14.465 1.00 70.15 C ATOM 419 O ALA A 48 -21.798 18.902 -15.011 1.00 72.12 O ATOM 420 CB ALA A 48 -24.912 18.439 -15.640 1.00 72.25 C ATOM 0 H ALA A 48 -25.232 16.319 -14.436 1.00 41.22 H new ATOM 0 HA ALA A 48 -23.268 17.199 -16.216 1.00 30.52 H new ATOM 0 HB1 ALA A 48 -24.541 19.318 -16.167 1.00 72.25 H new ATOM 0 HB2 ALA A 48 -25.616 17.904 -16.277 1.00 72.25 H new ATOM 0 HB3 ALA A 48 -25.415 18.750 -14.725 1.00 72.25 H new ATOM 426 N LEU A 49 -22.856 18.219 -13.146 1.00 61.25 N ATOM 427 CA LEU A 49 -21.932 18.896 -12.243 1.00 15.41 C ATOM 428 C LEU A 49 -20.582 18.188 -12.213 1.00 42.41 C ATOM 429 O LEU A 49 -19.533 18.822 -12.341 1.00 14.30 O ATOM 430 CB LEU A 49 -22.521 18.957 -10.832 1.00 64.11 C ATOM 431 CG LEU A 49 -22.778 20.356 -10.272 1.00 12.12 C ATOM 432 CD1 LEU A 49 -21.526 21.213 -10.379 1.00 33.12 C ATOM 433 CD2 LEU A 49 -23.942 21.016 -10.998 1.00 23.40 C ATOM 0 H LEU A 49 -23.605 17.709 -12.678 1.00 61.25 H new ATOM 0 HA LEU A 49 -21.780 19.911 -12.611 1.00 15.41 H new ATOM 0 HB2 LEU A 49 -23.462 18.408 -10.829 1.00 64.11 H new ATOM 0 HB3 LEU A 49 -21.845 18.435 -10.155 1.00 64.11 H new ATOM 0 HG LEU A 49 -23.039 20.262 -9.218 1.00 12.12 H new ATOM 0 HD11 LEU A 49 -21.729 22.205 -9.975 1.00 33.12 H new ATOM 0 HD12 LEU A 49 -20.718 20.749 -9.813 1.00 33.12 H new ATOM 0 HD13 LEU A 49 -21.233 21.300 -11.425 1.00 33.12 H new ATOM 0 HD21 LEU A 49 -24.111 22.011 -10.586 1.00 23.40 H new ATOM 0 HD22 LEU A 49 -23.709 21.097 -12.060 1.00 23.40 H new ATOM 0 HD23 LEU A 49 -24.841 20.413 -10.869 1.00 23.40 H new ATOM 445 N LEU A 50 -20.614 16.871 -12.046 1.00 20.12 N ATOM 446 CA LEU A 50 -19.392 16.075 -12.002 1.00 10.23 C ATOM 447 C LEU A 50 -18.540 16.316 -13.244 1.00 12.22 C ATOM 448 O LEU A 50 -17.318 16.170 -13.209 1.00 32.31 O ATOM 449 CB LEU A 50 -19.732 14.589 -11.883 1.00 72.52 C ATOM 450 CG LEU A 50 -20.421 14.159 -10.588 1.00 32.25 C ATOM 451 CD1 LEU A 50 -20.818 12.692 -10.655 1.00 1.31 C ATOM 452 CD2 LEU A 50 -19.515 14.414 -9.392 1.00 32.22 C ATOM 0 H LEU A 50 -21.473 16.331 -11.939 1.00 20.12 H new ATOM 0 HA LEU A 50 -18.819 16.381 -11.127 1.00 10.23 H new ATOM 0 HB2 LEU A 50 -20.374 14.316 -12.720 1.00 72.52 H new ATOM 0 HB3 LEU A 50 -18.810 14.017 -11.988 1.00 72.52 H new ATOM 0 HG LEU A 50 -21.326 14.754 -10.466 1.00 32.25 H new ATOM 0 HD11 LEU A 50 -21.307 12.405 -9.724 1.00 1.31 H new ATOM 0 HD12 LEU A 50 -21.504 12.538 -11.488 1.00 1.31 H new ATOM 0 HD13 LEU A 50 -19.928 12.080 -10.801 1.00 1.31 H new ATOM 0 HD21 LEU A 50 -20.022 14.102 -8.479 1.00 32.22 H new ATOM 0 HD22 LEU A 50 -18.592 13.846 -9.507 1.00 32.22 H new ATOM 0 HD23 LEU A 50 -19.282 15.477 -9.332 1.00 32.22 H new ATOM 464 N TYR A 51 -19.193 16.688 -14.339 1.00 41.52 N ATOM 465 CA TYR A 51 -18.496 16.950 -15.593 1.00 25.13 C ATOM 466 C TYR A 51 -17.728 18.267 -15.525 1.00 35.01 C ATOM 467 O TYR A 51 -16.563 18.340 -15.914 1.00 55.45 O ATOM 468 CB TYR A 51 -19.489 16.985 -16.755 1.00 63.45 C ATOM 469 CG TYR A 51 -18.834 16.880 -18.114 1.00 41.34 C ATOM 470 CD1 TYR A 51 -18.002 17.888 -18.586 1.00 11.31 C ATOM 471 CD2 TYR A 51 -19.046 15.773 -18.926 1.00 74.14 C ATOM 472 CE1 TYR A 51 -17.403 17.797 -19.827 1.00 44.41 C ATOM 473 CE2 TYR A 51 -18.450 15.673 -20.168 1.00 62.24 C ATOM 474 CZ TYR A 51 -17.629 16.688 -20.614 1.00 72.25 C ATOM 475 OH TYR A 51 -17.033 16.593 -21.851 1.00 23.21 O ATOM 0 H TYR A 51 -20.204 16.815 -14.384 1.00 41.52 H new ATOM 0 HA TYR A 51 -17.782 16.143 -15.758 1.00 25.13 H new ATOM 0 HB2 TYR A 51 -20.200 16.167 -16.639 1.00 63.45 H new ATOM 0 HB3 TYR A 51 -20.060 17.912 -16.707 1.00 63.45 H new ATOM 0 HD1 TYR A 51 -17.821 18.758 -17.972 1.00 11.31 H new ATOM 0 HD2 TYR A 51 -19.688 14.977 -18.580 1.00 74.14 H new ATOM 0 HE1 TYR A 51 -16.761 18.591 -20.179 1.00 44.41 H new ATOM 0 HE2 TYR A 51 -18.626 14.805 -20.786 1.00 62.24 H new ATOM 0 HH TYR A 51 -17.295 15.750 -22.276 1.00 23.21 H new ATOM 485 N ALA A 52 -18.392 19.305 -15.026 1.00 45.35 N ATOM 486 CA ALA A 52 -17.773 20.619 -14.904 1.00 41.53 C ATOM 487 C ALA A 52 -16.430 20.530 -14.187 1.00 72.42 C ATOM 488 O ALA A 52 -15.409 20.990 -14.700 1.00 20.24 O ATOM 489 CB ALA A 52 -18.703 21.574 -14.170 1.00 43.32 C ATOM 0 H ALA A 52 -19.358 19.261 -14.700 1.00 45.35 H new ATOM 0 HA ALA A 52 -17.594 21.003 -15.908 1.00 41.53 H new ATOM 0 HB1 ALA A 52 -18.228 22.552 -14.086 1.00 43.32 H new ATOM 0 HB2 ALA A 52 -19.637 21.671 -14.724 1.00 43.32 H new ATOM 0 HB3 ALA A 52 -18.911 21.185 -13.173 1.00 43.32 H new ATOM 495 N LEU A 53 -16.438 19.935 -12.999 1.00 50.41 N ATOM 496 CA LEU A 53 -15.220 19.786 -12.210 1.00 61.35 C ATOM 497 C LEU A 53 -14.202 18.915 -12.941 1.00 0.45 C ATOM 498 O LEU A 53 -13.022 19.255 -13.016 1.00 65.43 O ATOM 499 CB LEU A 53 -15.544 19.175 -10.846 1.00 11.52 C ATOM 500 CG LEU A 53 -16.683 19.837 -10.068 1.00 61.54 C ATOM 501 CD1 LEU A 53 -17.052 19.004 -8.851 1.00 21.53 C ATOM 502 CD2 LEU A 53 -16.296 21.249 -9.654 1.00 31.44 C ATOM 0 H LEU A 53 -17.274 19.548 -12.561 1.00 50.41 H new ATOM 0 HA LEU A 53 -14.787 20.776 -12.064 1.00 61.35 H new ATOM 0 HB2 LEU A 53 -15.793 18.124 -10.991 1.00 11.52 H new ATOM 0 HB3 LEU A 53 -14.644 19.208 -10.232 1.00 11.52 H new ATOM 0 HG LEU A 53 -17.555 19.898 -10.719 1.00 61.54 H new ATOM 0 HD11 LEU A 53 -17.864 19.490 -8.310 1.00 21.53 H new ATOM 0 HD12 LEU A 53 -17.372 18.013 -9.172 1.00 21.53 H new ATOM 0 HD13 LEU A 53 -16.185 18.911 -8.197 1.00 21.53 H new ATOM 0 HD21 LEU A 53 -17.118 21.704 -9.102 1.00 31.44 H new ATOM 0 HD22 LEU A 53 -15.410 21.212 -9.021 1.00 31.44 H new ATOM 0 HD23 LEU A 53 -16.083 21.843 -10.543 1.00 31.44 H new ATOM 514 N ALA A 54 -14.668 17.793 -13.478 1.00 73.01 N ATOM 515 CA ALA A 54 -13.800 16.876 -14.206 1.00 3.30 C ATOM 516 C ALA A 54 -13.054 17.597 -15.324 1.00 11.42 C ATOM 517 O ALA A 54 -11.827 17.537 -15.404 1.00 53.12 O ATOM 518 CB ALA A 54 -14.609 15.718 -14.770 1.00 52.23 C ATOM 0 H ALA A 54 -15.642 17.497 -13.423 1.00 73.01 H new ATOM 0 HA ALA A 54 -13.062 16.482 -13.507 1.00 3.30 H new ATOM 0 HB1 ALA A 54 -13.947 15.041 -15.311 1.00 52.23 H new ATOM 0 HB2 ALA A 54 -15.091 15.179 -13.954 1.00 52.23 H new ATOM 0 HB3 ALA A 54 -15.370 16.102 -15.450 1.00 52.23 H new ATOM 524 N SER A 55 -13.803 18.279 -16.185 1.00 72.40 N ATOM 525 CA SER A 55 -13.213 19.008 -17.301 1.00 70.34 C ATOM 526 C SER A 55 -12.198 20.033 -16.805 1.00 12.01 C ATOM 527 O SER A 55 -11.214 20.328 -17.483 1.00 74.14 O ATOM 528 CB SER A 55 -14.304 19.706 -18.116 1.00 2.13 C ATOM 529 OG SER A 55 -13.740 20.544 -19.110 1.00 75.54 O ATOM 0 H SER A 55 -14.820 18.342 -16.131 1.00 72.40 H new ATOM 0 HA SER A 55 -12.696 18.291 -17.939 1.00 70.34 H new ATOM 0 HB2 SER A 55 -14.945 18.960 -18.586 1.00 2.13 H new ATOM 0 HB3 SER A 55 -14.936 20.297 -17.453 1.00 2.13 H new ATOM 0 HG SER A 55 -14.457 20.977 -19.618 1.00 75.54 H new ATOM 535 N SER A 56 -12.445 20.573 -15.616 1.00 34.03 N ATOM 536 CA SER A 56 -11.556 21.568 -15.028 1.00 52.44 C ATOM 537 C SER A 56 -10.142 21.015 -14.884 1.00 3.34 C ATOM 538 O SER A 56 -9.173 21.771 -14.820 1.00 4.02 O ATOM 539 CB SER A 56 -12.085 22.013 -13.663 1.00 65.21 C ATOM 540 OG SER A 56 -11.962 23.415 -13.501 1.00 12.22 O ATOM 0 H SER A 56 -13.254 20.338 -15.041 1.00 34.03 H new ATOM 0 HA SER A 56 -11.524 22.430 -15.695 1.00 52.44 H new ATOM 0 HB2 SER A 56 -13.131 21.722 -13.562 1.00 65.21 H new ATOM 0 HB3 SER A 56 -11.535 21.503 -12.872 1.00 65.21 H new ATOM 0 HG SER A 56 -12.308 23.674 -12.622 1.00 12.22 H new ATOM 546 N GLN A 57 -10.033 19.692 -14.832 1.00 71.44 N ATOM 547 CA GLN A 57 -8.738 19.037 -14.694 1.00 63.33 C ATOM 548 C GLN A 57 -8.374 18.275 -15.965 1.00 14.51 C ATOM 549 O GLN A 57 -7.529 18.715 -16.744 1.00 33.35 O ATOM 550 CB GLN A 57 -8.750 18.082 -13.499 1.00 71.24 C ATOM 551 CG GLN A 57 -8.897 18.785 -12.160 1.00 10.31 C ATOM 552 CD GLN A 57 -7.567 19.230 -11.585 1.00 44.55 C ATOM 553 OE1 GLN A 57 -7.394 20.393 -11.217 1.00 32.45 O ATOM 554 NE2 GLN A 57 -6.617 18.306 -11.506 1.00 45.14 N ATOM 0 H GLN A 57 -10.826 19.052 -14.883 1.00 71.44 H new ATOM 0 HA GLN A 57 -7.986 19.808 -14.527 1.00 63.33 H new ATOM 0 HB2 GLN A 57 -9.569 17.373 -13.619 1.00 71.24 H new ATOM 0 HB3 GLN A 57 -7.826 17.504 -13.497 1.00 71.24 H new ATOM 0 HG2 GLN A 57 -9.546 19.653 -12.279 1.00 10.31 H new ATOM 0 HG3 GLN A 57 -9.388 18.115 -11.454 1.00 10.31 H new ATOM 0 HE21 GLN A 57 -6.804 17.354 -11.822 1.00 45.14 H new ATOM 0 HE22 GLN A 57 -5.701 18.548 -11.129 1.00 45.14 H new ATOM 563 N GLY A 58 -9.019 17.130 -16.168 1.00 12.41 N ATOM 564 CA GLY A 58 -8.750 16.326 -17.345 1.00 43.04 C ATOM 565 C GLY A 58 -9.985 16.115 -18.198 1.00 62.42 C ATOM 566 O GLY A 58 -11.100 16.420 -17.775 1.00 3.43 O ATOM 0 H GLY A 58 -9.723 16.745 -15.538 1.00 12.41 H new ATOM 0 HA2 GLY A 58 -7.978 16.810 -17.943 1.00 43.04 H new ATOM 0 HA3 GLY A 58 -8.355 15.358 -17.037 1.00 43.04 H new ATOM 570 N ASP A 59 -9.787 15.592 -19.403 1.00 72.04 N ATOM 571 CA ASP A 59 -10.894 15.341 -20.319 1.00 33.43 C ATOM 572 C ASP A 59 -11.728 14.152 -19.850 1.00 65.22 C ATOM 573 O ASP A 59 -11.202 13.207 -19.260 1.00 51.24 O ATOM 574 CB ASP A 59 -10.368 15.085 -21.732 1.00 23.12 C ATOM 575 CG ASP A 59 -9.962 16.363 -22.438 1.00 42.35 C ATOM 576 OD1 ASP A 59 -10.823 17.255 -22.593 1.00 45.22 O ATOM 577 OD2 ASP A 59 -8.783 16.472 -22.836 1.00 52.41 O ATOM 0 H ASP A 59 -8.870 15.334 -19.768 1.00 72.04 H new ATOM 0 HA ASP A 59 -11.530 16.226 -20.332 1.00 33.43 H new ATOM 0 HB2 ASP A 59 -9.511 14.413 -21.682 1.00 23.12 H new ATOM 0 HB3 ASP A 59 -11.136 14.579 -22.316 1.00 23.12 H new ATOM 582 N ILE A 60 -13.028 14.206 -20.116 1.00 13.23 N ATOM 583 CA ILE A 60 -13.934 13.134 -19.721 1.00 45.12 C ATOM 584 C ILE A 60 -14.409 12.342 -20.934 1.00 71.13 C ATOM 585 O ILE A 60 -14.805 12.917 -21.949 1.00 43.11 O ATOM 586 CB ILE A 60 -15.160 13.681 -18.967 1.00 5.52 C ATOM 587 CG1 ILE A 60 -14.715 14.492 -17.747 1.00 73.32 C ATOM 588 CG2 ILE A 60 -16.076 12.542 -18.547 1.00 64.42 C ATOM 589 CD1 ILE A 60 -14.658 15.982 -18.000 1.00 60.11 C ATOM 0 H ILE A 60 -13.478 14.981 -20.603 1.00 13.23 H new ATOM 0 HA ILE A 60 -13.374 12.476 -19.057 1.00 45.12 H new ATOM 0 HB ILE A 60 -15.715 14.339 -19.635 1.00 5.52 H new ATOM 0 HG12 ILE A 60 -15.400 14.298 -16.922 1.00 73.32 H new ATOM 0 HG13 ILE A 60 -13.730 14.147 -17.431 1.00 73.32 H new ATOM 0 HG21 ILE A 60 -16.938 12.945 -18.015 1.00 64.42 H new ATOM 0 HG22 ILE A 60 -16.415 12.003 -19.431 1.00 64.42 H new ATOM 0 HG23 ILE A 60 -15.532 11.860 -17.893 1.00 64.42 H new ATOM 0 HD11 ILE A 60 -14.335 16.493 -17.093 1.00 60.11 H new ATOM 0 HD12 ILE A 60 -13.951 16.188 -18.803 1.00 60.11 H new ATOM 0 HD13 ILE A 60 -15.647 16.341 -18.286 1.00 60.11 H new ATOM 601 N LEU A 61 -14.370 11.019 -20.822 1.00 65.23 N ATOM 602 CA LEU A 61 -14.798 10.146 -21.910 1.00 35.25 C ATOM 603 C LEU A 61 -16.218 9.640 -21.674 1.00 52.21 C ATOM 604 O LEU A 61 -16.928 9.291 -22.618 1.00 10.54 O ATOM 605 CB LEU A 61 -13.840 8.962 -22.048 1.00 23.11 C ATOM 606 CG LEU A 61 -12.358 9.269 -21.827 1.00 31.21 C ATOM 607 CD1 LEU A 61 -11.509 8.044 -22.129 1.00 5.04 C ATOM 608 CD2 LEU A 61 -11.923 10.447 -22.687 1.00 34.32 C ATOM 0 H LEU A 61 -14.047 10.527 -19.989 1.00 65.23 H new ATOM 0 HA LEU A 61 -14.786 10.725 -22.834 1.00 35.25 H new ATOM 0 HB2 LEU A 61 -14.141 8.192 -21.338 1.00 23.11 H new ATOM 0 HB3 LEU A 61 -13.958 8.539 -23.046 1.00 23.11 H new ATOM 0 HG LEU A 61 -12.214 9.537 -20.780 1.00 31.21 H new ATOM 0 HD11 LEU A 61 -10.458 8.281 -21.966 1.00 5.04 H new ATOM 0 HD12 LEU A 61 -11.803 7.226 -21.471 1.00 5.04 H new ATOM 0 HD13 LEU A 61 -11.657 7.745 -23.167 1.00 5.04 H new ATOM 0 HD21 LEU A 61 -10.866 10.651 -22.517 1.00 34.32 H new ATOM 0 HD22 LEU A 61 -12.082 10.208 -23.739 1.00 34.32 H new ATOM 0 HD23 LEU A 61 -12.510 11.327 -22.422 1.00 34.32 H new ATOM 620 N ASP A 62 -16.626 9.605 -20.410 1.00 51.34 N ATOM 621 CA ASP A 62 -17.963 9.146 -20.051 1.00 24.32 C ATOM 622 C ASP A 62 -18.171 9.210 -18.541 1.00 73.30 C ATOM 623 O ASP A 62 -17.394 8.643 -17.773 1.00 24.03 O ATOM 624 CB ASP A 62 -18.185 7.717 -20.549 1.00 21.22 C ATOM 625 CG ASP A 62 -19.414 7.594 -21.427 1.00 55.52 C ATOM 626 OD1 ASP A 62 -20.414 8.289 -21.149 1.00 14.40 O ATOM 627 OD2 ASP A 62 -19.377 6.805 -22.393 1.00 64.45 O ATOM 0 H ASP A 62 -16.050 9.889 -19.617 1.00 51.34 H new ATOM 0 HA ASP A 62 -18.688 9.805 -20.528 1.00 24.32 H new ATOM 0 HB2 ASP A 62 -17.308 7.390 -21.108 1.00 21.22 H new ATOM 0 HB3 ASP A 62 -18.285 7.049 -19.694 1.00 21.22 H new ATOM 632 N ILE A 63 -19.225 9.904 -18.123 1.00 64.34 N ATOM 633 CA ILE A 63 -19.535 10.041 -16.706 1.00 1.41 C ATOM 634 C ILE A 63 -20.713 9.157 -16.312 1.00 62.55 C ATOM 635 O ILE A 63 -21.845 9.386 -16.738 1.00 11.45 O ATOM 636 CB ILE A 63 -19.860 11.502 -16.340 1.00 24.30 C ATOM 637 CG1 ILE A 63 -18.699 12.419 -16.732 1.00 73.20 C ATOM 638 CG2 ILE A 63 -20.157 11.621 -14.853 1.00 13.42 C ATOM 639 CD1 ILE A 63 -18.922 13.868 -16.359 1.00 62.24 C ATOM 0 H ILE A 63 -19.878 10.380 -18.746 1.00 64.34 H new ATOM 0 HA ILE A 63 -18.648 9.725 -16.157 1.00 1.41 H new ATOM 0 HB ILE A 63 -20.746 11.812 -16.894 1.00 24.30 H new ATOM 0 HG12 ILE A 63 -17.788 12.064 -16.251 1.00 73.20 H new ATOM 0 HG13 ILE A 63 -18.539 12.350 -17.808 1.00 73.20 H new ATOM 0 HG21 ILE A 63 -20.385 12.659 -14.609 1.00 13.42 H new ATOM 0 HG22 ILE A 63 -21.012 10.993 -14.601 1.00 13.42 H new ATOM 0 HG23 ILE A 63 -19.288 11.297 -14.281 1.00 13.42 H new ATOM 0 HD11 ILE A 63 -18.060 14.460 -16.666 1.00 62.24 H new ATOM 0 HD12 ILE A 63 -19.815 14.240 -16.861 1.00 62.24 H new ATOM 0 HD13 ILE A 63 -19.052 13.950 -15.280 1.00 62.24 H new ATOM 651 N VAL A 64 -20.439 8.144 -15.496 1.00 44.00 N ATOM 652 CA VAL A 64 -21.476 7.226 -15.042 1.00 21.51 C ATOM 653 C VAL A 64 -21.944 7.577 -13.634 1.00 44.32 C ATOM 654 O VAL A 64 -21.174 8.091 -12.823 1.00 5.23 O ATOM 655 CB VAL A 64 -20.980 5.767 -15.057 1.00 52.30 C ATOM 656 CG1 VAL A 64 -22.119 4.813 -14.732 1.00 70.31 C ATOM 657 CG2 VAL A 64 -20.359 5.430 -16.404 1.00 2.20 C ATOM 0 H VAL A 64 -19.507 7.939 -15.136 1.00 44.00 H new ATOM 0 HA VAL A 64 -22.312 7.326 -15.735 1.00 21.51 H new ATOM 0 HB VAL A 64 -20.213 5.654 -14.291 1.00 52.30 H new ATOM 0 HG11 VAL A 64 -21.750 3.787 -14.747 1.00 70.31 H new ATOM 0 HG12 VAL A 64 -22.514 5.042 -13.742 1.00 70.31 H new ATOM 0 HG13 VAL A 64 -22.910 4.925 -15.473 1.00 70.31 H new ATOM 0 HG21 VAL A 64 -20.014 4.396 -16.397 1.00 2.20 H new ATOM 0 HG22 VAL A 64 -21.103 5.559 -17.190 1.00 2.20 H new ATOM 0 HG23 VAL A 64 -19.514 6.093 -16.591 1.00 2.20 H new ATOM 667 N VAL A 65 -23.211 7.297 -13.350 1.00 75.52 N ATOM 668 CA VAL A 65 -23.783 7.582 -12.039 1.00 65.44 C ATOM 669 C VAL A 65 -24.861 6.566 -11.677 1.00 43.40 C ATOM 670 O VAL A 65 -25.685 6.196 -12.513 1.00 14.42 O ATOM 671 CB VAL A 65 -24.387 8.997 -11.986 1.00 52.23 C ATOM 672 CG1 VAL A 65 -24.950 9.286 -10.603 1.00 53.02 C ATOM 673 CG2 VAL A 65 -23.346 10.036 -12.375 1.00 22.23 C ATOM 0 H VAL A 65 -23.862 6.873 -14.011 1.00 75.52 H new ATOM 0 HA VAL A 65 -22.969 7.516 -11.317 1.00 65.44 H new ATOM 0 HB VAL A 65 -25.206 9.051 -12.704 1.00 52.23 H new ATOM 0 HG11 VAL A 65 -25.373 10.291 -10.585 1.00 53.02 H new ATOM 0 HG12 VAL A 65 -25.729 8.560 -10.368 1.00 53.02 H new ATOM 0 HG13 VAL A 65 -24.153 9.214 -9.863 1.00 53.02 H new ATOM 0 HG21 VAL A 65 -23.791 11.030 -12.332 1.00 22.23 H new ATOM 0 HG22 VAL A 65 -22.505 9.984 -11.684 1.00 22.23 H new ATOM 0 HG23 VAL A 65 -22.996 9.839 -13.388 1.00 22.23 H new ATOM 683 N ASP A 66 -24.848 6.120 -10.426 1.00 34.10 N ATOM 684 CA ASP A 66 -25.827 5.148 -9.951 1.00 65.14 C ATOM 685 C ASP A 66 -27.240 5.715 -10.033 1.00 12.52 C ATOM 686 O ASP A 66 -27.482 6.714 -10.713 1.00 22.23 O ATOM 687 CB ASP A 66 -25.511 4.736 -8.513 1.00 31.13 C ATOM 688 CG ASP A 66 -25.781 5.849 -7.519 1.00 72.22 C ATOM 689 OD1 ASP A 66 -25.894 7.015 -7.951 1.00 11.41 O ATOM 690 OD2 ASP A 66 -25.881 5.553 -6.310 1.00 45.12 O ATOM 0 H ASP A 66 -24.171 6.415 -9.722 1.00 34.10 H new ATOM 0 HA ASP A 66 -25.771 4.269 -10.593 1.00 65.14 H new ATOM 0 HB2 ASP A 66 -26.109 3.864 -8.248 1.00 31.13 H new ATOM 0 HB3 ASP A 66 -24.465 4.438 -8.445 1.00 31.13 H new ATOM 695 N LEU A 67 -28.171 5.073 -9.337 1.00 31.44 N ATOM 696 CA LEU A 67 -29.562 5.512 -9.330 1.00 51.45 C ATOM 697 C LEU A 67 -29.835 6.440 -8.150 1.00 62.54 C ATOM 698 O LEU A 67 -30.976 6.581 -7.710 1.00 44.21 O ATOM 699 CB LEU A 67 -30.499 4.305 -9.272 1.00 72.22 C ATOM 700 CG LEU A 67 -30.137 3.223 -8.254 1.00 33.10 C ATOM 701 CD1 LEU A 67 -29.087 2.282 -8.825 1.00 12.52 C ATOM 702 CD2 LEU A 67 -29.645 3.853 -6.959 1.00 64.52 C ATOM 0 H LEU A 67 -27.988 4.246 -8.769 1.00 31.44 H new ATOM 0 HA LEU A 67 -29.747 6.063 -10.252 1.00 51.45 H new ATOM 0 HB2 LEU A 67 -31.505 4.662 -9.051 1.00 72.22 H new ATOM 0 HB3 LEU A 67 -30.533 3.848 -10.261 1.00 72.22 H new ATOM 0 HG LEU A 67 -31.033 2.643 -8.035 1.00 33.10 H new ATOM 0 HD11 LEU A 67 -28.842 1.519 -8.086 1.00 12.52 H new ATOM 0 HD12 LEU A 67 -29.477 1.805 -9.724 1.00 12.52 H new ATOM 0 HD13 LEU A 67 -28.189 2.847 -9.074 1.00 12.52 H new ATOM 0 HD21 LEU A 67 -29.392 3.068 -6.246 1.00 64.52 H new ATOM 0 HD22 LEU A 67 -28.761 4.458 -7.162 1.00 64.52 H new ATOM 0 HD23 LEU A 67 -30.429 4.484 -6.541 1.00 64.52 H new ATOM 714 N SER A 68 -28.780 7.070 -7.644 1.00 52.50 N ATOM 715 CA SER A 68 -28.906 7.983 -6.514 1.00 4.32 C ATOM 716 C SER A 68 -29.698 7.339 -5.381 1.00 14.24 C ATOM 717 O SER A 68 -30.747 7.843 -4.978 1.00 32.34 O ATOM 718 CB SER A 68 -29.585 9.282 -6.953 1.00 21.12 C ATOM 719 OG SER A 68 -29.850 10.120 -5.841 1.00 72.22 O ATOM 0 H SER A 68 -27.829 6.965 -7.998 1.00 52.50 H new ATOM 0 HA SER A 68 -27.904 8.211 -6.150 1.00 4.32 H new ATOM 0 HB2 SER A 68 -28.947 9.807 -7.664 1.00 21.12 H new ATOM 0 HB3 SER A 68 -30.517 9.052 -7.470 1.00 21.12 H new ATOM 0 HG SER A 68 -30.500 9.684 -5.250 1.00 72.22 H new ATOM 725 N ASP A 69 -29.190 6.223 -4.871 1.00 65.13 N ATOM 726 CA ASP A 69 -29.848 5.509 -3.784 1.00 33.14 C ATOM 727 C ASP A 69 -29.628 6.223 -2.453 1.00 75.44 C ATOM 728 O ASP A 69 -28.580 6.828 -2.228 1.00 55.23 O ATOM 729 CB ASP A 69 -29.328 4.073 -3.698 1.00 41.25 C ATOM 730 CG ASP A 69 -30.426 3.047 -3.893 1.00 74.32 C ATOM 731 OD1 ASP A 69 -31.363 3.320 -4.673 1.00 12.23 O ATOM 732 OD2 ASP A 69 -30.349 1.969 -3.267 1.00 2.43 O ATOM 0 H ASP A 69 -28.323 5.793 -5.194 1.00 65.13 H new ATOM 0 HA ASP A 69 -30.918 5.487 -3.993 1.00 33.14 H new ATOM 0 HB2 ASP A 69 -28.557 3.923 -4.453 1.00 41.25 H new ATOM 0 HB3 ASP A 69 -28.858 3.918 -2.727 1.00 41.25 H new ATOM 737 N ASP A 70 -30.623 6.148 -1.576 1.00 73.33 N ATOM 738 CA ASP A 70 -30.539 6.786 -0.268 1.00 50.51 C ATOM 739 C ASP A 70 -29.625 5.997 0.664 1.00 13.12 C ATOM 740 O ASP A 70 -29.334 6.431 1.778 1.00 41.43 O ATOM 741 CB ASP A 70 -31.932 6.915 0.351 1.00 4.20 C ATOM 742 CG ASP A 70 -32.873 7.737 -0.507 1.00 51.02 C ATOM 743 OD1 ASP A 70 -32.440 8.788 -1.023 1.00 42.22 O ATOM 744 OD2 ASP A 70 -34.044 7.329 -0.662 1.00 44.53 O ATOM 0 H ASP A 70 -31.497 5.651 -1.748 1.00 73.33 H new ATOM 0 HA ASP A 70 -30.117 7.782 -0.403 1.00 50.51 H new ATOM 0 HB2 ASP A 70 -32.354 5.921 0.498 1.00 4.20 H new ATOM 0 HB3 ASP A 70 -31.848 7.375 1.336 1.00 4.20 H new ATOM 749 N ASN A 71 -29.178 4.835 0.201 1.00 65.40 N ATOM 750 CA ASN A 71 -28.298 3.983 0.994 1.00 11.42 C ATOM 751 C ASN A 71 -26.970 3.756 0.278 1.00 11.23 C ATOM 752 O ASN A 71 -26.030 3.207 0.852 1.00 21.21 O ATOM 753 CB ASN A 71 -28.974 2.640 1.278 1.00 43.32 C ATOM 754 CG ASN A 71 -28.447 1.983 2.539 1.00 62.12 C ATOM 755 OD1 ASN A 71 -27.521 1.172 2.489 1.00 14.55 O ATOM 756 ND2 ASN A 71 -29.036 2.330 3.677 1.00 2.12 N ATOM 0 H ASN A 71 -29.410 4.461 -0.719 1.00 65.40 H new ATOM 0 HA ASN A 71 -28.099 4.489 1.939 1.00 11.42 H new ATOM 0 HB2 ASN A 71 -30.049 2.790 1.372 1.00 43.32 H new ATOM 0 HB3 ASN A 71 -28.818 1.972 0.431 1.00 43.32 H new ATOM 0 HD21 ASN A 71 -28.725 1.920 4.558 1.00 2.12 H new ATOM 0 HD22 ASN A 71 -29.800 3.006 3.671 1.00 2.12 H new ATOM 763 N SER A 72 -26.901 4.184 -0.978 1.00 61.44 N ATOM 764 CA SER A 72 -25.689 4.024 -1.774 1.00 55.23 C ATOM 765 C SER A 72 -25.109 5.382 -2.158 1.00 21.02 C ATOM 766 O SER A 72 -24.082 5.803 -1.628 1.00 25.44 O ATOM 767 CB SER A 72 -25.986 3.209 -3.035 1.00 4.13 C ATOM 768 OG SER A 72 -26.520 1.938 -2.706 1.00 51.44 O ATOM 0 H SER A 72 -27.669 4.644 -1.467 1.00 61.44 H new ATOM 0 HA SER A 72 -24.954 3.492 -1.170 1.00 55.23 H new ATOM 0 HB2 SER A 72 -26.691 3.751 -3.665 1.00 4.13 H new ATOM 0 HB3 SER A 72 -25.072 3.084 -3.615 1.00 4.13 H new ATOM 0 HG SER A 72 -26.703 1.437 -3.528 1.00 51.44 H new ATOM 774 N GLY A 73 -25.776 6.064 -3.084 1.00 61.44 N ATOM 775 CA GLY A 73 -25.312 7.367 -3.524 1.00 71.52 C ATOM 776 C GLY A 73 -23.855 7.352 -3.943 1.00 54.40 C ATOM 777 O GLY A 73 -22.965 7.596 -3.129 1.00 23.25 O ATOM 0 H GLY A 73 -26.629 5.738 -3.537 1.00 61.44 H new ATOM 0 HA2 GLY A 73 -25.924 7.704 -4.361 1.00 71.52 H new ATOM 0 HA3 GLY A 73 -25.448 8.089 -2.719 1.00 71.52 H new ATOM 781 N LYS A 74 -23.610 7.065 -5.217 1.00 14.11 N ATOM 782 CA LYS A 74 -22.252 7.019 -5.744 1.00 3.32 C ATOM 783 C LYS A 74 -22.248 7.216 -7.256 1.00 62.45 C ATOM 784 O LYS A 74 -23.302 7.352 -7.877 1.00 21.23 O ATOM 785 CB LYS A 74 -21.590 5.685 -5.390 1.00 53.24 C ATOM 786 CG LYS A 74 -22.237 4.488 -6.065 1.00 52.01 C ATOM 787 CD LYS A 74 -22.509 3.369 -5.074 1.00 33.11 C ATOM 788 CE LYS A 74 -22.020 2.028 -5.599 1.00 74.14 C ATOM 789 NZ LYS A 74 -21.662 1.096 -4.494 1.00 52.41 N ATOM 0 H LYS A 74 -24.336 6.861 -5.904 1.00 14.11 H new ATOM 0 HA LYS A 74 -21.685 7.831 -5.289 1.00 3.32 H new ATOM 0 HB2 LYS A 74 -20.538 5.725 -5.671 1.00 53.24 H new ATOM 0 HB3 LYS A 74 -21.626 5.546 -4.310 1.00 53.24 H new ATOM 0 HG2 LYS A 74 -23.172 4.795 -6.534 1.00 52.01 H new ATOM 0 HG3 LYS A 74 -21.587 4.122 -6.859 1.00 52.01 H new ATOM 0 HD2 LYS A 74 -22.016 3.592 -4.128 1.00 33.11 H new ATOM 0 HD3 LYS A 74 -23.578 3.313 -4.871 1.00 33.11 H new ATOM 0 HE2 LYS A 74 -22.795 1.576 -6.218 1.00 74.14 H new ATOM 0 HE3 LYS A 74 -21.151 2.183 -6.239 1.00 74.14 H new ATOM 0 HZ1 LYS A 74 -21.334 0.194 -4.894 1.00 52.41 H new ATOM 0 HZ2 LYS A 74 -20.905 1.516 -3.918 1.00 52.41 H new ATOM 0 HZ3 LYS A 74 -22.497 0.927 -3.898 1.00 52.41 H new ATOM 803 N ALA A 75 -21.056 7.228 -7.844 1.00 62.40 N ATOM 804 CA ALA A 75 -20.916 7.404 -9.284 1.00 63.52 C ATOM 805 C ALA A 75 -19.488 7.116 -9.736 1.00 41.30 C ATOM 806 O ALA A 75 -18.625 6.782 -8.924 1.00 61.30 O ATOM 807 CB ALA A 75 -21.325 8.813 -9.686 1.00 71.30 C ATOM 0 H ALA A 75 -20.173 7.118 -7.345 1.00 62.40 H new ATOM 0 HA ALA A 75 -21.576 6.691 -9.778 1.00 63.52 H new ATOM 0 HB1 ALA A 75 -21.215 8.930 -10.764 1.00 71.30 H new ATOM 0 HB2 ALA A 75 -22.365 8.984 -9.406 1.00 71.30 H new ATOM 0 HB3 ALA A 75 -20.689 9.536 -9.176 1.00 71.30 H new ATOM 813 N TYR A 76 -19.246 7.248 -11.035 1.00 42.24 N ATOM 814 CA TYR A 76 -17.923 7.000 -11.595 1.00 62.45 C ATOM 815 C TYR A 76 -17.631 7.956 -12.748 1.00 24.31 C ATOM 816 O TYR A 76 -18.417 8.070 -13.689 1.00 22.32 O ATOM 817 CB TYR A 76 -17.814 5.552 -12.079 1.00 12.43 C ATOM 818 CG TYR A 76 -18.590 4.571 -11.230 1.00 20.32 C ATOM 819 CD1 TYR A 76 -19.938 4.330 -11.468 1.00 3.24 C ATOM 820 CD2 TYR A 76 -17.976 3.885 -10.189 1.00 62.55 C ATOM 821 CE1 TYR A 76 -20.651 3.435 -10.694 1.00 62.22 C ATOM 822 CE2 TYR A 76 -18.681 2.986 -9.412 1.00 3.31 C ATOM 823 CZ TYR A 76 -20.018 2.765 -9.668 1.00 22.00 C ATOM 824 OH TYR A 76 -20.724 1.872 -8.895 1.00 22.02 O ATOM 0 H TYR A 76 -19.949 7.525 -11.720 1.00 42.24 H new ATOM 0 HA TYR A 76 -17.187 7.171 -10.810 1.00 62.45 H new ATOM 0 HB2 TYR A 76 -18.172 5.493 -13.107 1.00 12.43 H new ATOM 0 HB3 TYR A 76 -16.764 5.259 -12.090 1.00 12.43 H new ATOM 0 HD1 TYR A 76 -20.437 4.851 -12.272 1.00 3.24 H new ATOM 0 HD2 TYR A 76 -16.930 4.058 -9.984 1.00 62.55 H new ATOM 0 HE1 TYR A 76 -21.698 3.261 -10.891 1.00 62.22 H new ATOM 0 HE2 TYR A 76 -18.188 2.459 -8.609 1.00 3.31 H new ATOM 0 HH TYR A 76 -20.131 1.486 -8.217 1.00 22.02 H new ATOM 834 N ILE A 77 -16.494 8.640 -12.667 1.00 34.23 N ATOM 835 CA ILE A 77 -16.097 9.585 -13.703 1.00 24.32 C ATOM 836 C ILE A 77 -14.933 9.041 -14.525 1.00 1.31 C ATOM 837 O ILE A 77 -13.817 8.900 -14.024 1.00 33.52 O ATOM 838 CB ILE A 77 -15.695 10.944 -13.101 1.00 5.02 C ATOM 839 CG1 ILE A 77 -16.757 11.421 -12.108 1.00 24.10 C ATOM 840 CG2 ILE A 77 -15.492 11.973 -14.203 1.00 75.34 C ATOM 841 CD1 ILE A 77 -16.438 12.759 -11.478 1.00 61.23 C ATOM 0 H ILE A 77 -15.832 8.557 -11.895 1.00 34.23 H new ATOM 0 HA ILE A 77 -16.962 9.726 -14.351 1.00 24.32 H new ATOM 0 HB ILE A 77 -14.753 10.823 -12.566 1.00 5.02 H new ATOM 0 HG12 ILE A 77 -17.717 11.489 -12.620 1.00 24.10 H new ATOM 0 HG13 ILE A 77 -16.868 10.675 -11.321 1.00 24.10 H new ATOM 0 HG21 ILE A 77 -15.208 12.928 -13.761 1.00 75.34 H new ATOM 0 HG22 ILE A 77 -14.703 11.635 -14.875 1.00 75.34 H new ATOM 0 HG23 ILE A 77 -16.419 12.094 -14.763 1.00 75.34 H new ATOM 0 HD11 ILE A 77 -17.234 13.034 -10.786 1.00 61.23 H new ATOM 0 HD12 ILE A 77 -15.494 12.691 -10.937 1.00 61.23 H new ATOM 0 HD13 ILE A 77 -16.356 13.517 -12.257 1.00 61.23 H new ATOM 853 N VAL A 78 -15.200 8.740 -15.792 1.00 31.23 N ATOM 854 CA VAL A 78 -14.175 8.215 -16.685 1.00 63.33 C ATOM 855 C VAL A 78 -13.400 9.343 -17.356 1.00 41.41 C ATOM 856 O VAL A 78 -13.986 10.228 -17.980 1.00 12.32 O ATOM 857 CB VAL A 78 -14.786 7.310 -17.772 1.00 15.43 C ATOM 858 CG1 VAL A 78 -13.693 6.583 -18.539 1.00 71.11 C ATOM 859 CG2 VAL A 78 -15.763 6.322 -17.153 1.00 74.24 C ATOM 0 H VAL A 78 -16.118 8.851 -16.223 1.00 31.23 H new ATOM 0 HA VAL A 78 -13.494 7.625 -16.072 1.00 63.33 H new ATOM 0 HB VAL A 78 -15.334 7.936 -18.476 1.00 15.43 H new ATOM 0 HG11 VAL A 78 -14.144 5.949 -19.302 1.00 71.11 H new ATOM 0 HG12 VAL A 78 -13.036 7.311 -19.014 1.00 71.11 H new ATOM 0 HG13 VAL A 78 -13.114 5.967 -17.851 1.00 71.11 H new ATOM 0 HG21 VAL A 78 -16.186 5.690 -17.934 1.00 74.24 H new ATOM 0 HG22 VAL A 78 -15.240 5.700 -16.427 1.00 74.24 H new ATOM 0 HG23 VAL A 78 -16.564 6.867 -16.654 1.00 74.24 H new ATOM 869 N PHE A 79 -12.078 9.306 -17.224 1.00 50.21 N ATOM 870 CA PHE A 79 -11.222 10.326 -17.817 1.00 45.52 C ATOM 871 C PHE A 79 -10.461 9.768 -19.017 1.00 11.24 C ATOM 872 O PHE A 79 -10.576 8.587 -19.343 1.00 3.24 O ATOM 873 CB PHE A 79 -10.235 10.862 -16.777 1.00 63.45 C ATOM 874 CG PHE A 79 -10.859 11.803 -15.788 1.00 1.15 C ATOM 875 CD1 PHE A 79 -11.006 13.148 -16.088 1.00 34.50 C ATOM 876 CD2 PHE A 79 -11.298 11.344 -14.556 1.00 64.41 C ATOM 877 CE1 PHE A 79 -11.581 14.017 -15.179 1.00 63.44 C ATOM 878 CE2 PHE A 79 -11.873 12.208 -13.644 1.00 21.32 C ATOM 879 CZ PHE A 79 -12.014 13.546 -13.955 1.00 45.02 C ATOM 0 H PHE A 79 -11.577 8.580 -16.712 1.00 50.21 H new ATOM 0 HA PHE A 79 -11.857 11.143 -18.160 1.00 45.52 H new ATOM 0 HB2 PHE A 79 -9.794 10.022 -16.239 1.00 63.45 H new ATOM 0 HB3 PHE A 79 -9.421 11.374 -17.290 1.00 63.45 H new ATOM 0 HD1 PHE A 79 -10.667 13.522 -17.043 1.00 34.50 H new ATOM 0 HD2 PHE A 79 -11.189 10.299 -14.306 1.00 64.41 H new ATOM 0 HE1 PHE A 79 -11.691 15.063 -15.426 1.00 63.44 H new ATOM 0 HE2 PHE A 79 -12.212 11.837 -12.688 1.00 21.32 H new ATOM 0 HZ PHE A 79 -12.462 14.223 -13.243 1.00 45.02 H new ATOM 889 N ALA A 80 -9.685 10.627 -19.669 1.00 40.15 N ATOM 890 CA ALA A 80 -8.904 10.221 -20.831 1.00 75.44 C ATOM 891 C ALA A 80 -7.859 9.178 -20.453 1.00 24.53 C ATOM 892 O ALA A 80 -7.530 8.295 -21.247 1.00 3.43 O ATOM 893 CB ALA A 80 -8.239 11.431 -21.470 1.00 22.23 C ATOM 0 H ALA A 80 -9.580 11.609 -19.412 1.00 40.15 H new ATOM 0 HA ALA A 80 -9.583 9.770 -21.554 1.00 75.44 H new ATOM 0 HB1 ALA A 80 -7.659 11.112 -22.336 1.00 22.23 H new ATOM 0 HB2 ALA A 80 -9.003 12.141 -21.786 1.00 22.23 H new ATOM 0 HB3 ALA A 80 -7.578 11.907 -20.746 1.00 22.23 H new ATOM 899 N THR A 81 -7.338 9.284 -19.234 1.00 65.22 N ATOM 900 CA THR A 81 -6.327 8.351 -18.751 1.00 14.11 C ATOM 901 C THR A 81 -6.034 8.576 -17.272 1.00 45.41 C ATOM 902 O THR A 81 -6.391 9.612 -16.710 1.00 64.45 O ATOM 903 CB THR A 81 -5.016 8.480 -19.549 1.00 10.14 C ATOM 904 OG1 THR A 81 -5.095 9.595 -20.443 1.00 45.42 O ATOM 905 CG2 THR A 81 -4.735 7.210 -20.337 1.00 72.12 C ATOM 0 H THR A 81 -7.600 10.007 -18.563 1.00 65.22 H new ATOM 0 HA THR A 81 -6.730 7.348 -18.890 1.00 14.11 H new ATOM 0 HB THR A 81 -4.201 8.638 -18.843 1.00 10.14 H new ATOM 0 HG1 THR A 81 -4.257 9.671 -20.946 1.00 45.42 H new ATOM 0 HG21 THR A 81 -3.804 7.325 -20.892 1.00 72.12 H new ATOM 0 HG22 THR A 81 -4.646 6.368 -19.651 1.00 72.12 H new ATOM 0 HG23 THR A 81 -5.553 7.026 -21.034 1.00 72.12 H new ATOM 913 N GLN A 82 -5.381 7.601 -16.648 1.00 45.50 N ATOM 914 CA GLN A 82 -5.039 7.695 -15.234 1.00 31.04 C ATOM 915 C GLN A 82 -4.316 9.004 -14.934 1.00 24.45 C ATOM 916 O GLN A 82 -4.431 9.550 -13.837 1.00 20.52 O ATOM 917 CB GLN A 82 -4.166 6.509 -14.818 1.00 54.25 C ATOM 918 CG GLN A 82 -4.354 6.094 -13.368 1.00 72.23 C ATOM 919 CD GLN A 82 -3.335 6.728 -12.443 1.00 1.33 C ATOM 920 OE1 GLN A 82 -2.846 7.829 -12.700 1.00 15.14 O ATOM 921 NE2 GLN A 82 -3.008 6.036 -11.358 1.00 21.30 N ATOM 0 H GLN A 82 -5.078 6.738 -17.099 1.00 45.50 H new ATOM 0 HA GLN A 82 -5.966 7.674 -14.660 1.00 31.04 H new ATOM 0 HB2 GLN A 82 -4.391 5.659 -15.462 1.00 54.25 H new ATOM 0 HB3 GLN A 82 -3.119 6.764 -14.981 1.00 54.25 H new ATOM 0 HG2 GLN A 82 -5.357 6.371 -13.042 1.00 72.23 H new ATOM 0 HG3 GLN A 82 -4.282 5.009 -13.292 1.00 72.23 H new ATOM 0 HE21 GLN A 82 -3.438 5.127 -11.184 1.00 21.30 H new ATOM 0 HE22 GLN A 82 -2.327 6.413 -10.699 1.00 21.30 H new ATOM 930 N GLU A 83 -3.570 9.501 -15.915 1.00 62.55 N ATOM 931 CA GLU A 83 -2.827 10.745 -15.755 1.00 22.23 C ATOM 932 C GLU A 83 -3.756 11.885 -15.347 1.00 21.54 C ATOM 933 O GLU A 83 -3.503 12.586 -14.367 1.00 64.22 O ATOM 934 CB GLU A 83 -2.102 11.103 -17.054 1.00 1.44 C ATOM 935 CG GLU A 83 -0.658 10.632 -17.095 1.00 1.21 C ATOM 936 CD GLU A 83 0.258 11.484 -16.238 1.00 44.33 C ATOM 937 OE1 GLU A 83 0.333 12.707 -16.482 1.00 73.44 O ATOM 938 OE2 GLU A 83 0.901 10.928 -15.323 1.00 62.14 O ATOM 0 H GLU A 83 -3.464 9.061 -16.829 1.00 62.55 H new ATOM 0 HA GLU A 83 -2.090 10.599 -14.965 1.00 22.23 H new ATOM 0 HB2 GLU A 83 -2.642 10.666 -17.894 1.00 1.44 H new ATOM 0 HB3 GLU A 83 -2.126 12.184 -17.188 1.00 1.44 H new ATOM 0 HG2 GLU A 83 -0.608 9.597 -16.756 1.00 1.21 H new ATOM 0 HG3 GLU A 83 -0.304 10.648 -18.126 1.00 1.21 H new ATOM 945 N SER A 84 -4.832 12.063 -16.106 1.00 14.14 N ATOM 946 CA SER A 84 -5.798 13.120 -15.827 1.00 23.15 C ATOM 947 C SER A 84 -6.635 12.780 -14.597 1.00 51.04 C ATOM 948 O SER A 84 -6.860 13.626 -13.733 1.00 2.24 O ATOM 949 CB SER A 84 -6.710 13.338 -17.035 1.00 12.31 C ATOM 950 OG SER A 84 -6.318 14.485 -17.769 1.00 52.13 O ATOM 0 H SER A 84 -5.057 11.489 -16.919 1.00 14.14 H new ATOM 0 HA SER A 84 -5.247 14.039 -15.627 1.00 23.15 H new ATOM 0 HB2 SER A 84 -6.679 12.461 -17.681 1.00 12.31 H new ATOM 0 HB3 SER A 84 -7.741 13.451 -16.700 1.00 12.31 H new ATOM 0 HG SER A 84 -6.915 14.602 -18.537 1.00 52.13 H new ATOM 956 N ALA A 85 -7.094 11.535 -14.528 1.00 33.21 N ATOM 957 CA ALA A 85 -7.905 11.081 -13.405 1.00 11.12 C ATOM 958 C ALA A 85 -7.213 11.368 -12.077 1.00 21.03 C ATOM 959 O ALA A 85 -7.781 12.017 -11.199 1.00 4.12 O ATOM 960 CB ALA A 85 -8.204 9.595 -13.536 1.00 53.11 C ATOM 0 H ALA A 85 -6.918 10.823 -15.237 1.00 33.21 H new ATOM 0 HA ALA A 85 -8.845 11.632 -13.422 1.00 11.12 H new ATOM 0 HB1 ALA A 85 -8.810 9.270 -12.691 1.00 53.11 H new ATOM 0 HB2 ALA A 85 -8.747 9.414 -14.463 1.00 53.11 H new ATOM 0 HB3 ALA A 85 -7.269 9.035 -13.548 1.00 53.11 H new ATOM 966 N GLN A 86 -5.985 10.879 -11.937 1.00 42.41 N ATOM 967 CA GLN A 86 -5.217 11.083 -10.715 1.00 24.14 C ATOM 968 C GLN A 86 -5.155 12.563 -10.350 1.00 75.50 C ATOM 969 O GLN A 86 -5.308 12.932 -9.186 1.00 74.22 O ATOM 970 CB GLN A 86 -3.801 10.527 -10.878 1.00 70.22 C ATOM 971 CG GLN A 86 -2.876 10.866 -9.720 1.00 54.33 C ATOM 972 CD GLN A 86 -1.960 9.717 -9.349 1.00 12.13 C ATOM 973 OE1 GLN A 86 -2.268 8.926 -8.457 1.00 31.21 O ATOM 974 NE2 GLN A 86 -0.826 9.619 -10.033 1.00 32.15 N ATOM 0 H GLN A 86 -5.501 10.339 -12.654 1.00 42.41 H new ATOM 0 HA GLN A 86 -5.719 10.549 -9.908 1.00 24.14 H new ATOM 0 HB2 GLN A 86 -3.855 9.443 -10.983 1.00 70.22 H new ATOM 0 HB3 GLN A 86 -3.371 10.916 -11.801 1.00 70.22 H new ATOM 0 HG2 GLN A 86 -2.274 11.735 -9.984 1.00 54.33 H new ATOM 0 HG3 GLN A 86 -3.474 11.144 -8.852 1.00 54.33 H new ATOM 0 HE21 GLN A 86 -0.611 10.297 -10.764 1.00 32.15 H new ATOM 0 HE22 GLN A 86 -0.170 8.866 -9.827 1.00 32.15 H new ATOM 983 N ALA A 87 -4.930 13.405 -11.353 1.00 15.11 N ATOM 984 CA ALA A 87 -4.851 14.845 -11.138 1.00 23.42 C ATOM 985 C ALA A 87 -6.141 15.381 -10.526 1.00 63.44 C ATOM 986 O ALA A 87 -6.113 16.120 -9.542 1.00 22.50 O ATOM 987 CB ALA A 87 -4.549 15.558 -12.447 1.00 61.15 C ATOM 0 H ALA A 87 -4.799 13.115 -12.322 1.00 15.11 H new ATOM 0 HA ALA A 87 -4.040 15.039 -10.436 1.00 23.42 H new ATOM 0 HB1 ALA A 87 -4.493 16.632 -12.272 1.00 61.15 H new ATOM 0 HB2 ALA A 87 -3.597 15.205 -12.843 1.00 61.15 H new ATOM 0 HB3 ALA A 87 -5.341 15.349 -13.166 1.00 61.15 H new ATOM 993 N PHE A 88 -7.271 15.004 -11.116 1.00 44.42 N ATOM 994 CA PHE A 88 -8.572 15.449 -10.630 1.00 44.01 C ATOM 995 C PHE A 88 -8.863 14.871 -9.248 1.00 63.45 C ATOM 996 O PHE A 88 -9.466 15.530 -8.401 1.00 61.35 O ATOM 997 CB PHE A 88 -9.673 15.039 -11.610 1.00 31.24 C ATOM 998 CG PHE A 88 -11.060 15.235 -11.068 1.00 53.33 C ATOM 999 CD1 PHE A 88 -11.682 14.234 -10.340 1.00 11.45 C ATOM 1000 CD2 PHE A 88 -11.743 16.421 -11.289 1.00 23.11 C ATOM 1001 CE1 PHE A 88 -12.958 14.412 -9.840 1.00 15.04 C ATOM 1002 CE2 PHE A 88 -13.019 16.604 -10.791 1.00 41.41 C ATOM 1003 CZ PHE A 88 -13.628 15.598 -10.067 1.00 10.43 C ATOM 0 H PHE A 88 -7.312 14.392 -11.931 1.00 44.42 H new ATOM 0 HA PHE A 88 -8.551 16.536 -10.552 1.00 44.01 H new ATOM 0 HB2 PHE A 88 -9.565 15.617 -12.528 1.00 31.24 H new ATOM 0 HB3 PHE A 88 -9.540 13.990 -11.876 1.00 31.24 H new ATOM 0 HD1 PHE A 88 -11.164 13.304 -10.161 1.00 11.45 H new ATOM 0 HD2 PHE A 88 -11.273 17.210 -11.857 1.00 23.11 H new ATOM 0 HE1 PHE A 88 -13.431 13.624 -9.272 1.00 15.04 H new ATOM 0 HE2 PHE A 88 -13.540 17.533 -10.968 1.00 41.41 H new ATOM 0 HZ PHE A 88 -14.626 15.738 -9.679 1.00 10.43 H new ATOM 1013 N VAL A 89 -8.430 13.633 -9.028 1.00 41.14 N ATOM 1014 CA VAL A 89 -8.643 12.965 -7.750 1.00 61.32 C ATOM 1015 C VAL A 89 -7.941 13.706 -6.618 1.00 42.54 C ATOM 1016 O VAL A 89 -8.518 13.923 -5.554 1.00 31.14 O ATOM 1017 CB VAL A 89 -8.138 11.510 -7.787 1.00 32.13 C ATOM 1018 CG1 VAL A 89 -8.294 10.856 -6.422 1.00 5.40 C ATOM 1019 CG2 VAL A 89 -8.877 10.717 -8.854 1.00 61.30 C ATOM 0 H VAL A 89 -7.930 13.073 -9.718 1.00 41.14 H new ATOM 0 HA VAL A 89 -9.718 12.965 -7.568 1.00 61.32 H new ATOM 0 HB VAL A 89 -7.078 11.518 -8.041 1.00 32.13 H new ATOM 0 HG11 VAL A 89 -7.932 9.829 -6.467 1.00 5.40 H new ATOM 0 HG12 VAL A 89 -7.716 11.412 -5.684 1.00 5.40 H new ATOM 0 HG13 VAL A 89 -9.346 10.858 -6.136 1.00 5.40 H new ATOM 0 HG21 VAL A 89 -8.508 9.692 -8.866 1.00 61.30 H new ATOM 0 HG22 VAL A 89 -9.944 10.716 -8.633 1.00 61.30 H new ATOM 0 HG23 VAL A 89 -8.709 11.175 -9.829 1.00 61.30 H new ATOM 1029 N GLU A 90 -6.692 14.094 -6.857 1.00 62.04 N ATOM 1030 CA GLU A 90 -5.911 14.812 -5.857 1.00 23.21 C ATOM 1031 C GLU A 90 -6.262 16.297 -5.855 1.00 72.20 C ATOM 1032 O GLU A 90 -6.040 16.997 -4.867 1.00 75.44 O ATOM 1033 CB GLU A 90 -4.414 14.631 -6.120 1.00 33.02 C ATOM 1034 CG GLU A 90 -3.998 13.180 -6.292 1.00 64.04 C ATOM 1035 CD GLU A 90 -4.014 12.409 -4.987 1.00 20.02 C ATOM 1036 OE1 GLU A 90 -3.573 12.968 -3.961 1.00 40.33 O ATOM 1037 OE2 GLU A 90 -4.468 11.246 -4.991 1.00 75.33 O ATOM 0 H GLU A 90 -6.200 13.923 -7.734 1.00 62.04 H new ATOM 0 HA GLU A 90 -6.154 14.398 -4.878 1.00 23.21 H new ATOM 0 HB2 GLU A 90 -4.141 15.187 -7.017 1.00 33.02 H new ATOM 0 HB3 GLU A 90 -3.853 15.065 -5.293 1.00 33.02 H new ATOM 0 HG2 GLU A 90 -4.667 12.696 -7.003 1.00 64.04 H new ATOM 0 HG3 GLU A 90 -2.996 13.142 -6.720 1.00 64.04 H new ATOM 1044 N ALA A 91 -6.811 16.770 -6.969 1.00 0.31 N ATOM 1045 CA ALA A 91 -7.195 18.171 -7.096 1.00 65.21 C ATOM 1046 C ALA A 91 -8.476 18.461 -6.322 1.00 51.45 C ATOM 1047 O ALA A 91 -8.742 19.604 -5.949 1.00 51.00 O ATOM 1048 CB ALA A 91 -7.365 18.540 -8.562 1.00 54.21 C ATOM 0 H ALA A 91 -7.000 16.204 -7.796 1.00 0.31 H new ATOM 0 HA ALA A 91 -6.399 18.781 -6.670 1.00 65.21 H new ATOM 0 HB1 ALA A 91 -7.652 19.589 -8.642 1.00 54.21 H new ATOM 0 HB2 ALA A 91 -6.424 18.380 -9.089 1.00 54.21 H new ATOM 0 HB3 ALA A 91 -8.141 17.917 -9.006 1.00 54.21 H new ATOM 1054 N PHE A 92 -9.268 17.421 -6.086 1.00 23.44 N ATOM 1055 CA PHE A 92 -10.523 17.565 -5.358 1.00 20.24 C ATOM 1056 C PHE A 92 -10.575 16.609 -4.169 1.00 53.31 C ATOM 1057 O PHE A 92 -11.597 16.502 -3.491 1.00 62.23 O ATOM 1058 CB PHE A 92 -11.709 17.305 -6.288 1.00 75.21 C ATOM 1059 CG PHE A 92 -11.938 18.401 -7.289 1.00 11.32 C ATOM 1060 CD1 PHE A 92 -10.995 18.672 -8.267 1.00 73.24 C ATOM 1061 CD2 PHE A 92 -13.096 19.162 -7.250 1.00 64.14 C ATOM 1062 CE1 PHE A 92 -11.203 19.680 -9.190 1.00 63.00 C ATOM 1063 CE2 PHE A 92 -13.309 20.171 -8.171 1.00 23.15 C ATOM 1064 CZ PHE A 92 -12.361 20.431 -9.141 1.00 4.13 C ATOM 0 H PHE A 92 -9.063 16.469 -6.388 1.00 23.44 H new ATOM 0 HA PHE A 92 -10.582 18.587 -4.983 1.00 20.24 H new ATOM 0 HB2 PHE A 92 -11.545 16.367 -6.819 1.00 75.21 H new ATOM 0 HB3 PHE A 92 -12.610 17.178 -5.688 1.00 75.21 H new ATOM 0 HD1 PHE A 92 -10.087 18.089 -8.309 1.00 73.24 H new ATOM 0 HD2 PHE A 92 -13.840 18.965 -6.492 1.00 64.14 H new ATOM 0 HE1 PHE A 92 -10.461 19.880 -9.949 1.00 63.00 H new ATOM 0 HE2 PHE A 92 -14.216 20.756 -8.132 1.00 23.15 H new ATOM 0 HZ PHE A 92 -12.525 21.220 -9.860 1.00 4.13 H new ATOM 1074 N GLN A 93 -9.467 15.918 -3.924 1.00 60.11 N ATOM 1075 CA GLN A 93 -9.387 14.970 -2.819 1.00 1.54 C ATOM 1076 C GLN A 93 -9.909 15.594 -1.528 1.00 42.14 C ATOM 1077 O GLN A 93 -10.506 14.913 -0.695 1.00 44.53 O ATOM 1078 CB GLN A 93 -7.944 14.501 -2.625 1.00 0.21 C ATOM 1079 CG GLN A 93 -7.706 13.796 -1.299 1.00 74.35 C ATOM 1080 CD GLN A 93 -8.572 12.562 -1.131 1.00 43.45 C ATOM 1081 OE1 GLN A 93 -9.290 12.424 -0.141 1.00 25.24 O ATOM 1082 NE2 GLN A 93 -8.508 11.658 -2.102 1.00 34.24 N ATOM 0 H GLN A 93 -8.612 15.997 -4.475 1.00 60.11 H new ATOM 0 HA GLN A 93 -10.011 14.111 -3.065 1.00 1.54 H new ATOM 0 HB2 GLN A 93 -7.678 13.826 -3.439 1.00 0.21 H new ATOM 0 HB3 GLN A 93 -7.279 15.362 -2.694 1.00 0.21 H new ATOM 0 HG2 GLN A 93 -6.656 13.511 -1.226 1.00 74.35 H new ATOM 0 HG3 GLN A 93 -7.906 14.489 -0.482 1.00 74.35 H new ATOM 0 HE21 GLN A 93 -7.899 11.814 -2.905 1.00 34.24 H new ATOM 0 HE22 GLN A 93 -9.068 10.808 -2.045 1.00 34.24 H new ATOM 1091 N GLY A 94 -9.679 16.894 -1.370 1.00 10.12 N ATOM 1092 CA GLY A 94 -10.132 17.588 -0.178 1.00 71.42 C ATOM 1093 C GLY A 94 -10.854 18.881 -0.499 1.00 51.14 C ATOM 1094 O GLY A 94 -10.419 19.960 -0.096 1.00 64.11 O ATOM 0 H GLY A 94 -9.187 17.479 -2.046 1.00 10.12 H new ATOM 0 HA2 GLY A 94 -10.797 16.935 0.388 1.00 71.42 H new ATOM 0 HA3 GLY A 94 -9.276 17.803 0.461 1.00 71.42 H new ATOM 1098 N TYR A 95 -11.959 18.774 -1.228 1.00 53.53 N ATOM 1099 CA TYR A 95 -12.741 19.946 -1.607 1.00 60.52 C ATOM 1100 C TYR A 95 -14.219 19.740 -1.289 1.00 1.42 C ATOM 1101 O TYR A 95 -14.792 18.679 -1.535 1.00 71.02 O ATOM 1102 CB TYR A 95 -12.565 20.242 -3.098 1.00 32.35 C ATOM 1103 CG TYR A 95 -13.402 21.402 -3.587 1.00 75.43 C ATOM 1104 CD1 TYR A 95 -14.734 21.223 -3.940 1.00 73.31 C ATOM 1105 CD2 TYR A 95 -12.862 22.677 -3.696 1.00 64.11 C ATOM 1106 CE1 TYR A 95 -15.502 22.279 -4.389 1.00 15.52 C ATOM 1107 CE2 TYR A 95 -13.623 23.740 -4.142 1.00 62.14 C ATOM 1108 CZ TYR A 95 -14.942 23.536 -4.488 1.00 14.00 C ATOM 1109 OH TYR A 95 -15.705 24.592 -4.933 1.00 62.41 O ATOM 0 H TYR A 95 -12.334 17.889 -1.568 1.00 53.53 H new ATOM 0 HA TYR A 95 -12.378 20.796 -1.029 1.00 60.52 H new ATOM 0 HB2 TYR A 95 -11.514 20.454 -3.296 1.00 32.35 H new ATOM 0 HB3 TYR A 95 -12.824 19.351 -3.670 1.00 32.35 H new ATOM 0 HD1 TYR A 95 -15.176 20.241 -3.862 1.00 73.31 H new ATOM 0 HD2 TYR A 95 -11.829 22.840 -3.427 1.00 64.11 H new ATOM 0 HE1 TYR A 95 -16.535 22.122 -4.661 1.00 15.52 H new ATOM 0 HE2 TYR A 95 -13.187 24.725 -4.219 1.00 62.14 H new ATOM 0 HH TYR A 95 -15.161 25.407 -4.943 1.00 62.41 H new ATOM 1119 N PRO A 96 -14.852 20.781 -0.728 1.00 11.31 N ATOM 1120 CA PRO A 96 -16.272 20.742 -0.364 1.00 63.23 C ATOM 1121 C PRO A 96 -17.183 20.720 -1.587 1.00 1.43 C ATOM 1122 O PRO A 96 -17.376 21.741 -2.248 1.00 4.13 O ATOM 1123 CB PRO A 96 -16.471 22.036 0.429 1.00 61.14 C ATOM 1124 CG PRO A 96 -15.407 22.952 -0.068 1.00 44.23 C ATOM 1125 CD PRO A 96 -14.231 22.077 -0.406 1.00 53.20 C ATOM 0 HA PRO A 96 -16.525 19.841 0.195 1.00 63.23 H new ATOM 0 HB2 PRO A 96 -17.464 22.454 0.262 1.00 61.14 H new ATOM 0 HB3 PRO A 96 -16.375 21.862 1.501 1.00 61.14 H new ATOM 0 HG2 PRO A 96 -15.746 23.505 -0.944 1.00 44.23 H new ATOM 0 HG3 PRO A 96 -15.140 23.688 0.690 1.00 44.23 H new ATOM 0 HD2 PRO A 96 -13.665 22.472 -1.250 1.00 53.20 H new ATOM 0 HD3 PRO A 96 -13.538 21.994 0.431 1.00 53.20 H new ATOM 1133 N PHE A 97 -17.742 19.551 -1.882 1.00 42.40 N ATOM 1134 CA PHE A 97 -18.633 19.397 -3.026 1.00 1.40 C ATOM 1135 C PHE A 97 -19.886 18.617 -2.638 1.00 44.14 C ATOM 1136 O PHE A 97 -19.848 17.766 -1.750 1.00 55.03 O ATOM 1137 CB PHE A 97 -17.909 18.686 -4.171 1.00 71.10 C ATOM 1138 CG PHE A 97 -18.779 18.444 -5.372 1.00 2.15 C ATOM 1139 CD1 PHE A 97 -19.396 19.501 -6.020 1.00 52.43 C ATOM 1140 CD2 PHE A 97 -18.978 17.160 -5.852 1.00 34.24 C ATOM 1141 CE1 PHE A 97 -20.197 19.281 -7.125 1.00 15.43 C ATOM 1142 CE2 PHE A 97 -19.778 16.934 -6.956 1.00 34.21 C ATOM 1143 CZ PHE A 97 -20.388 17.996 -7.594 1.00 2.32 C ATOM 0 H PHE A 97 -17.594 18.697 -1.345 1.00 42.40 H new ATOM 0 HA PHE A 97 -18.934 20.391 -3.358 1.00 1.40 H new ATOM 0 HB2 PHE A 97 -17.047 19.282 -4.471 1.00 71.10 H new ATOM 0 HB3 PHE A 97 -17.527 17.731 -3.811 1.00 71.10 H new ATOM 0 HD1 PHE A 97 -19.250 20.508 -5.658 1.00 52.43 H new ATOM 0 HD2 PHE A 97 -18.502 16.326 -5.358 1.00 34.24 H new ATOM 0 HE1 PHE A 97 -20.673 20.114 -7.621 1.00 15.43 H new ATOM 0 HE2 PHE A 97 -19.926 15.928 -7.319 1.00 34.21 H new ATOM 0 HZ PHE A 97 -21.013 17.822 -8.458 1.00 2.32 H new ATOM 1153 N GLN A 98 -20.993 18.915 -3.311 1.00 23.01 N ATOM 1154 CA GLN A 98 -22.257 18.243 -3.036 1.00 70.40 C ATOM 1155 C GLN A 98 -22.643 18.389 -1.568 1.00 34.31 C ATOM 1156 O GLN A 98 -23.372 17.561 -1.022 1.00 3.00 O ATOM 1157 CB GLN A 98 -22.162 16.761 -3.406 1.00 11.43 C ATOM 1158 CG GLN A 98 -22.442 16.482 -4.873 1.00 60.55 C ATOM 1159 CD GLN A 98 -23.634 15.567 -5.076 1.00 64.43 C ATOM 1160 OE1 GLN A 98 -24.686 15.753 -4.464 1.00 44.42 O ATOM 1161 NE2 GLN A 98 -23.475 14.570 -5.939 1.00 60.13 N ATOM 0 H GLN A 98 -21.040 19.617 -4.050 1.00 23.01 H new ATOM 0 HA GLN A 98 -23.030 18.713 -3.644 1.00 70.40 H new ATOM 0 HB2 GLN A 98 -21.165 16.397 -3.159 1.00 11.43 H new ATOM 0 HB3 GLN A 98 -22.868 16.197 -2.796 1.00 11.43 H new ATOM 0 HG2 GLN A 98 -22.620 17.425 -5.391 1.00 60.55 H new ATOM 0 HG3 GLN A 98 -21.560 16.030 -5.328 1.00 60.55 H new ATOM 0 HE21 GLN A 98 -22.586 14.453 -6.425 1.00 60.13 H new ATOM 0 HE22 GLN A 98 -24.242 13.922 -6.116 1.00 60.13 H new ATOM 1170 N GLY A 99 -22.150 19.448 -0.933 1.00 64.24 N ATOM 1171 CA GLY A 99 -22.454 19.683 0.466 1.00 62.40 C ATOM 1172 C GLY A 99 -21.210 19.937 1.295 1.00 73.41 C ATOM 1173 O GLY A 99 -21.081 20.984 1.927 1.00 32.12 O ATOM 0 H GLY A 99 -21.545 20.148 -1.363 1.00 64.24 H new ATOM 0 HA2 GLY A 99 -23.124 20.539 0.550 1.00 62.40 H new ATOM 0 HA3 GLY A 99 -22.986 18.821 0.869 1.00 62.40 H new ATOM 1177 N ASN A 100 -20.293 18.975 1.293 1.00 33.53 N ATOM 1178 CA ASN A 100 -19.055 19.098 2.053 1.00 4.11 C ATOM 1179 C ASN A 100 -18.187 17.854 1.886 1.00 54.13 C ATOM 1180 O ASN A 100 -17.061 17.914 1.392 1.00 0.03 O ATOM 1181 CB ASN A 100 -19.361 19.324 3.535 1.00 51.31 C ATOM 1182 CG ASN A 100 -18.885 20.679 4.024 1.00 60.43 C ATOM 1183 OD1 ASN A 100 -19.666 21.471 4.551 1.00 74.43 O ATOM 1184 ND2 ASN A 100 -17.597 20.951 3.850 1.00 22.31 N ATOM 0 H ASN A 100 -20.384 18.102 0.774 1.00 33.53 H new ATOM 0 HA ASN A 100 -18.506 19.957 1.667 1.00 4.11 H new ATOM 0 HB2 ASN A 100 -20.435 19.239 3.698 1.00 51.31 H new ATOM 0 HB3 ASN A 100 -18.886 18.540 4.125 1.00 51.31 H new ATOM 0 HD21 ASN A 100 -17.219 21.847 4.158 1.00 22.31 H new ATOM 0 HD22 ASN A 100 -16.986 20.264 3.408 1.00 22.31 H new ATOM 1191 N PRO A 101 -18.723 16.698 2.306 1.00 53.44 N ATOM 1192 CA PRO A 101 -18.016 15.418 2.212 1.00 73.33 C ATOM 1193 C PRO A 101 -17.871 14.940 0.771 1.00 42.11 C ATOM 1194 O PRO A 101 -18.839 14.494 0.153 1.00 3.21 O ATOM 1195 CB PRO A 101 -18.909 14.460 3.005 1.00 55.52 C ATOM 1196 CG PRO A 101 -20.270 15.064 2.933 1.00 44.05 C ATOM 1197 CD PRO A 101 -20.061 16.553 2.904 1.00 61.12 C ATOM 0 HA PRO A 101 -16.997 15.487 2.593 1.00 73.33 H new ATOM 0 HB2 PRO A 101 -18.897 13.459 2.574 1.00 55.52 H new ATOM 0 HB3 PRO A 101 -18.571 14.367 4.037 1.00 55.52 H new ATOM 0 HG2 PRO A 101 -20.800 14.727 2.042 1.00 44.05 H new ATOM 0 HG3 PRO A 101 -20.873 14.771 3.793 1.00 44.05 H new ATOM 0 HD2 PRO A 101 -20.824 17.054 2.308 1.00 61.12 H new ATOM 0 HD3 PRO A 101 -20.103 16.984 3.904 1.00 61.12 H new ATOM 1205 N LEU A 102 -16.657 15.036 0.241 1.00 64.44 N ATOM 1206 CA LEU A 102 -16.384 14.612 -1.129 1.00 12.44 C ATOM 1207 C LEU A 102 -15.189 13.667 -1.179 1.00 25.34 C ATOM 1208 O LEU A 102 -14.096 14.006 -0.725 1.00 45.32 O ATOM 1209 CB LEU A 102 -16.123 15.830 -2.017 1.00 75.13 C ATOM 1210 CG LEU A 102 -15.571 15.536 -3.412 1.00 44.54 C ATOM 1211 CD1 LEU A 102 -16.632 14.877 -4.279 1.00 50.24 C ATOM 1212 CD2 LEU A 102 -15.065 16.815 -4.065 1.00 65.52 C ATOM 0 H LEU A 102 -15.846 15.403 0.738 1.00 64.44 H new ATOM 0 HA LEU A 102 -17.260 14.080 -1.500 1.00 12.44 H new ATOM 0 HB2 LEU A 102 -17.057 16.382 -2.126 1.00 75.13 H new ATOM 0 HB3 LEU A 102 -15.422 16.487 -1.502 1.00 75.13 H new ATOM 0 HG LEU A 102 -14.733 14.846 -3.312 1.00 44.54 H new ATOM 0 HD11 LEU A 102 -16.220 14.676 -5.268 1.00 50.24 H new ATOM 0 HD12 LEU A 102 -16.947 13.940 -3.819 1.00 50.24 H new ATOM 0 HD13 LEU A 102 -17.490 15.542 -4.372 1.00 50.24 H new ATOM 0 HD21 LEU A 102 -14.676 16.587 -5.057 1.00 65.52 H new ATOM 0 HD22 LEU A 102 -15.885 17.528 -4.152 1.00 65.52 H new ATOM 0 HD23 LEU A 102 -14.272 17.246 -3.454 1.00 65.52 H new ATOM 1224 N VAL A 103 -15.403 12.479 -1.735 1.00 31.42 N ATOM 1225 CA VAL A 103 -14.342 11.484 -1.848 1.00 15.55 C ATOM 1226 C VAL A 103 -14.092 11.111 -3.304 1.00 71.22 C ATOM 1227 O VAL A 103 -15.032 10.895 -4.070 1.00 43.24 O ATOM 1228 CB VAL A 103 -14.682 10.209 -1.053 1.00 4.42 C ATOM 1229 CG1 VAL A 103 -15.857 9.481 -1.687 1.00 42.32 C ATOM 1230 CG2 VAL A 103 -13.466 9.299 -0.962 1.00 41.45 C ATOM 0 H VAL A 103 -16.302 12.182 -2.115 1.00 31.42 H new ATOM 0 HA VAL A 103 -13.440 11.933 -1.432 1.00 15.55 H new ATOM 0 HB VAL A 103 -14.968 10.498 -0.042 1.00 4.42 H new ATOM 0 HG11 VAL A 103 -16.082 8.583 -1.111 1.00 42.32 H new ATOM 0 HG12 VAL A 103 -16.729 10.135 -1.695 1.00 42.32 H new ATOM 0 HG13 VAL A 103 -15.603 9.202 -2.710 1.00 42.32 H new ATOM 0 HG21 VAL A 103 -13.724 8.403 -0.397 1.00 41.45 H new ATOM 0 HG22 VAL A 103 -13.147 9.016 -1.965 1.00 41.45 H new ATOM 0 HG23 VAL A 103 -12.655 9.825 -0.458 1.00 41.45 H new ATOM 1240 N ILE A 104 -12.820 11.035 -3.680 1.00 2.44 N ATOM 1241 CA ILE A 104 -12.446 10.686 -5.044 1.00 60.14 C ATOM 1242 C ILE A 104 -11.285 9.697 -5.060 1.00 52.13 C ATOM 1243 O ILE A 104 -10.231 9.950 -4.477 1.00 3.12 O ATOM 1244 CB ILE A 104 -12.054 11.934 -5.858 1.00 20.43 C ATOM 1245 CG1 ILE A 104 -11.476 13.009 -4.936 1.00 3.21 C ATOM 1246 CG2 ILE A 104 -13.258 12.471 -6.617 1.00 61.41 C ATOM 1247 CD1 ILE A 104 -12.526 13.911 -4.327 1.00 1.42 C ATOM 0 H ILE A 104 -12.031 11.211 -3.058 1.00 2.44 H new ATOM 0 HA ILE A 104 -13.320 10.224 -5.502 1.00 60.14 H new ATOM 0 HB ILE A 104 -11.289 11.653 -6.582 1.00 20.43 H new ATOM 0 HG12 ILE A 104 -10.915 12.526 -4.136 1.00 3.21 H new ATOM 0 HG13 ILE A 104 -10.769 13.617 -5.499 1.00 3.21 H new ATOM 0 HG21 ILE A 104 -12.965 13.353 -7.187 1.00 61.41 H new ATOM 0 HG22 ILE A 104 -13.630 11.705 -7.298 1.00 61.41 H new ATOM 0 HG23 ILE A 104 -14.043 12.740 -5.910 1.00 61.41 H new ATOM 0 HD11 ILE A 104 -12.044 14.649 -3.685 1.00 1.42 H new ATOM 0 HD12 ILE A 104 -13.072 14.422 -5.121 1.00 1.42 H new ATOM 0 HD13 ILE A 104 -13.220 13.314 -3.736 1.00 1.42 H new ATOM 1259 N THR A 105 -11.485 8.569 -5.734 1.00 73.33 N ATOM 1260 CA THR A 105 -10.456 7.541 -5.828 1.00 2.43 C ATOM 1261 C THR A 105 -10.494 6.847 -7.184 1.00 65.21 C ATOM 1262 O THR A 105 -11.411 7.060 -7.977 1.00 35.25 O ATOM 1263 CB THR A 105 -10.614 6.485 -4.718 1.00 72.20 C ATOM 1264 OG1 THR A 105 -11.986 6.089 -4.611 1.00 12.24 O ATOM 1265 CG2 THR A 105 -10.131 7.027 -3.381 1.00 55.43 C ATOM 0 H THR A 105 -12.351 8.344 -6.223 1.00 73.33 H new ATOM 0 HA THR A 105 -9.496 8.043 -5.707 1.00 2.43 H new ATOM 0 HB THR A 105 -10.006 5.620 -4.981 1.00 72.20 H new ATOM 0 HG1 THR A 105 -12.078 5.416 -3.904 1.00 12.24 H new ATOM 0 HG21 THR A 105 -10.253 6.263 -2.613 1.00 55.43 H new ATOM 0 HG22 THR A 105 -9.078 7.300 -3.458 1.00 55.43 H new ATOM 0 HG23 THR A 105 -10.715 7.907 -3.113 1.00 55.43 H new ATOM 1273 N PHE A 106 -9.491 6.015 -7.446 1.00 30.44 N ATOM 1274 CA PHE A 106 -9.410 5.288 -8.707 1.00 42.24 C ATOM 1275 C PHE A 106 -10.290 4.042 -8.676 1.00 12.35 C ATOM 1276 O PHE A 106 -10.921 3.740 -7.662 1.00 45.33 O ATOM 1277 CB PHE A 106 -7.961 4.895 -9.002 1.00 24.15 C ATOM 1278 CG PHE A 106 -7.006 6.055 -8.969 1.00 75.53 C ATOM 1279 CD1 PHE A 106 -6.856 6.875 -10.075 1.00 44.43 C ATOM 1280 CD2 PHE A 106 -6.261 6.324 -7.833 1.00 21.00 C ATOM 1281 CE1 PHE A 106 -5.978 7.942 -10.048 1.00 43.55 C ATOM 1282 CE2 PHE A 106 -5.382 7.390 -7.800 1.00 43.01 C ATOM 1283 CZ PHE A 106 -5.241 8.201 -8.909 1.00 62.11 C ATOM 0 H PHE A 106 -8.723 5.828 -6.801 1.00 30.44 H new ATOM 0 HA PHE A 106 -9.770 5.945 -9.499 1.00 42.24 H new ATOM 0 HB2 PHE A 106 -7.640 4.150 -8.274 1.00 24.15 H new ATOM 0 HB3 PHE A 106 -7.914 4.423 -9.984 1.00 24.15 H new ATOM 0 HD1 PHE A 106 -7.431 6.679 -10.968 1.00 44.43 H new ATOM 0 HD2 PHE A 106 -6.368 5.693 -6.963 1.00 21.00 H new ATOM 0 HE1 PHE A 106 -5.868 8.573 -10.917 1.00 43.55 H new ATOM 0 HE2 PHE A 106 -4.806 7.589 -6.908 1.00 43.01 H new ATOM 0 HZ PHE A 106 -4.556 9.036 -8.886 1.00 62.11 H new ATOM 1293 N SER A 107 -10.328 3.323 -9.793 1.00 14.22 N ATOM 1294 CA SER A 107 -11.135 2.112 -9.895 1.00 45.53 C ATOM 1295 C SER A 107 -10.384 1.023 -10.655 1.00 52.05 C ATOM 1296 O SER A 107 -9.205 1.174 -10.974 1.00 32.34 O ATOM 1297 CB SER A 107 -12.462 2.416 -10.594 1.00 24.45 C ATOM 1298 OG SER A 107 -13.541 1.774 -9.937 1.00 14.40 O ATOM 0 H SER A 107 -9.810 3.557 -10.640 1.00 14.22 H new ATOM 0 HA SER A 107 -11.338 1.753 -8.886 1.00 45.53 H new ATOM 0 HB2 SER A 107 -12.630 3.493 -10.610 1.00 24.45 H new ATOM 0 HB3 SER A 107 -12.415 2.085 -11.632 1.00 24.45 H new ATOM 0 HG SER A 107 -14.378 1.984 -10.401 1.00 14.40 H new ATOM 1304 N GLU A 108 -11.078 -0.074 -10.943 1.00 23.22 N ATOM 1305 CA GLU A 108 -10.477 -1.190 -11.665 1.00 1.43 C ATOM 1306 C GLU A 108 -11.092 -1.333 -13.054 1.00 31.12 C ATOM 1307 O GLU A 108 -12.306 -1.217 -13.223 1.00 74.13 O ATOM 1308 CB GLU A 108 -10.656 -2.490 -10.879 1.00 22.22 C ATOM 1309 CG GLU A 108 -9.791 -2.572 -9.632 1.00 52.11 C ATOM 1310 CD GLU A 108 -9.539 -4.000 -9.189 1.00 72.13 C ATOM 1311 OE1 GLU A 108 -10.520 -4.762 -9.058 1.00 54.32 O ATOM 1312 OE2 GLU A 108 -8.362 -4.356 -8.974 1.00 30.22 O ATOM 0 H GLU A 108 -12.056 -0.214 -10.688 1.00 23.22 H new ATOM 0 HA GLU A 108 -9.412 -0.986 -11.777 1.00 1.43 H new ATOM 0 HB2 GLU A 108 -11.703 -2.590 -10.592 1.00 22.22 H new ATOM 0 HB3 GLU A 108 -10.422 -3.333 -11.529 1.00 22.22 H new ATOM 0 HG2 GLU A 108 -8.837 -2.081 -9.824 1.00 52.11 H new ATOM 0 HG3 GLU A 108 -10.274 -2.025 -8.823 1.00 52.11 H new ATOM 1319 N THR A 109 -10.245 -1.586 -14.047 1.00 2.13 N ATOM 1320 CA THR A 109 -10.703 -1.744 -15.421 1.00 52.41 C ATOM 1321 C THR A 109 -10.152 -3.023 -16.041 1.00 54.31 C ATOM 1322 O THR A 109 -9.307 -2.993 -16.936 1.00 74.50 O ATOM 1323 CB THR A 109 -10.288 -0.544 -16.293 1.00 43.31 C ATOM 1324 OG1 THR A 109 -8.860 -0.440 -16.335 1.00 51.13 O ATOM 1325 CG2 THR A 109 -10.879 0.749 -15.752 1.00 54.10 C ATOM 0 H THR A 109 -9.237 -1.686 -13.925 1.00 2.13 H new ATOM 0 HA THR A 109 -11.791 -1.800 -15.387 1.00 52.41 H new ATOM 0 HB THR A 109 -10.671 -0.706 -17.301 1.00 43.31 H new ATOM 0 HG1 THR A 109 -8.480 -1.284 -16.656 1.00 51.13 H new ATOM 0 HG21 THR A 109 -10.572 1.582 -16.384 1.00 54.10 H new ATOM 0 HG22 THR A 109 -11.967 0.678 -15.748 1.00 54.10 H new ATOM 0 HG23 THR A 109 -10.522 0.915 -14.735 1.00 54.10 H new ATOM 1333 N PRO A 110 -10.641 -4.174 -15.557 1.00 21.04 N ATOM 1334 CA PRO A 110 -10.212 -5.486 -16.050 1.00 40.03 C ATOM 1335 C PRO A 110 -10.702 -5.761 -17.468 1.00 14.43 C ATOM 1336 O PRO A 110 -11.430 -4.956 -18.049 1.00 12.05 O ATOM 1337 CB PRO A 110 -10.854 -6.464 -15.063 1.00 54.23 C ATOM 1338 CG PRO A 110 -12.038 -5.736 -14.525 1.00 61.23 C ATOM 1339 CD PRO A 110 -11.650 -4.284 -14.490 1.00 11.22 C ATOM 0 HA PRO A 110 -9.126 -5.566 -16.104 1.00 40.03 H new ATOM 0 HB2 PRO A 110 -11.149 -7.389 -15.558 1.00 54.23 H new ATOM 0 HB3 PRO A 110 -10.161 -6.735 -14.267 1.00 54.23 H new ATOM 0 HG2 PRO A 110 -12.912 -5.891 -15.157 1.00 61.23 H new ATOM 0 HG3 PRO A 110 -12.297 -6.095 -13.529 1.00 61.23 H new ATOM 0 HD2 PRO A 110 -12.505 -3.635 -14.678 1.00 11.22 H new ATOM 0 HD3 PRO A 110 -11.241 -4.001 -13.520 1.00 11.22 H new ATOM 1347 N GLN A 111 -10.299 -6.901 -18.018 1.00 32.41 N ATOM 1348 CA GLN A 111 -10.698 -7.281 -19.368 1.00 14.20 C ATOM 1349 C GLN A 111 -11.424 -8.623 -19.364 1.00 44.54 C ATOM 1350 O GLN A 111 -11.194 -9.465 -20.232 1.00 33.54 O ATOM 1351 CB GLN A 111 -9.475 -7.351 -20.283 1.00 60.44 C ATOM 1352 CG GLN A 111 -8.392 -8.292 -19.780 1.00 72.44 C ATOM 1353 CD GLN A 111 -7.413 -8.689 -20.867 1.00 62.24 C ATOM 1354 OE1 GLN A 111 -7.415 -8.119 -21.959 1.00 24.31 O ATOM 1355 NE2 GLN A 111 -6.569 -9.671 -20.574 1.00 63.42 N ATOM 0 H GLN A 111 -9.696 -7.578 -17.550 1.00 32.41 H new ATOM 0 HA GLN A 111 -11.382 -6.521 -19.746 1.00 14.20 H new ATOM 0 HB2 GLN A 111 -9.792 -7.672 -21.275 1.00 60.44 H new ATOM 0 HB3 GLN A 111 -9.055 -6.351 -20.391 1.00 60.44 H new ATOM 0 HG2 GLN A 111 -7.849 -7.813 -18.965 1.00 72.44 H new ATOM 0 HG3 GLN A 111 -8.857 -9.189 -19.370 1.00 72.44 H new ATOM 0 HE21 GLN A 111 -6.602 -10.115 -19.657 1.00 63.42 H new ATOM 0 HE22 GLN A 111 -5.887 -9.981 -21.266 1.00 63.42 H new ATOM 1364 N SER A 112 -12.299 -8.814 -18.383 1.00 11.23 N ATOM 1365 CA SER A 112 -13.055 -10.055 -18.264 1.00 31.12 C ATOM 1366 C SER A 112 -14.376 -9.961 -19.021 1.00 71.44 C ATOM 1367 O SER A 112 -14.922 -10.971 -19.464 1.00 33.53 O ATOM 1368 CB SER A 112 -13.320 -10.377 -16.792 1.00 10.43 C ATOM 1369 OG SER A 112 -14.416 -9.628 -16.295 1.00 51.15 O ATOM 0 H SER A 112 -12.502 -8.125 -17.659 1.00 11.23 H new ATOM 0 HA SER A 112 -12.461 -10.857 -18.703 1.00 31.12 H new ATOM 0 HB2 SER A 112 -13.523 -11.442 -16.680 1.00 10.43 H new ATOM 0 HB3 SER A 112 -12.429 -10.159 -16.203 1.00 10.43 H new ATOM 0 HG SER A 112 -14.566 -9.853 -15.353 1.00 51.15 H new ATOM 1375 N GLN A 113 -14.883 -8.741 -19.166 1.00 63.11 N ATOM 1376 CA GLN A 113 -16.140 -8.515 -19.869 1.00 42.12 C ATOM 1377 C GLN A 113 -16.012 -8.882 -21.344 1.00 35.21 C ATOM 1378 O GLN A 113 -16.999 -9.225 -21.997 1.00 4.54 O ATOM 1379 CB GLN A 113 -16.570 -7.054 -19.731 1.00 13.43 C ATOM 1380 CG GLN A 113 -15.490 -6.061 -20.128 1.00 3.12 C ATOM 1381 CD GLN A 113 -15.954 -5.088 -21.193 1.00 54.42 C ATOM 1382 OE1 GLN A 113 -16.794 -5.420 -22.030 1.00 15.31 O ATOM 1383 NE2 GLN A 113 -15.409 -3.877 -21.168 1.00 31.11 N ATOM 0 H GLN A 113 -14.443 -7.894 -18.806 1.00 63.11 H new ATOM 0 HA GLN A 113 -16.899 -9.154 -19.418 1.00 42.12 H new ATOM 0 HB2 GLN A 113 -17.452 -6.884 -20.348 1.00 13.43 H new ATOM 0 HB3 GLN A 113 -16.862 -6.866 -18.698 1.00 13.43 H new ATOM 0 HG2 GLN A 113 -15.172 -5.504 -19.246 1.00 3.12 H new ATOM 0 HG3 GLN A 113 -14.619 -6.605 -20.493 1.00 3.12 H new ATOM 0 HE21 GLN A 113 -14.716 -3.644 -20.456 1.00 31.11 H new ATOM 0 HE22 GLN A 113 -15.683 -3.180 -21.860 1.00 31.11 H new ATOM 1392 N VAL A 114 -14.791 -8.808 -21.864 1.00 33.52 N ATOM 1393 CA VAL A 114 -14.535 -9.134 -23.262 1.00 5.13 C ATOM 1394 C VAL A 114 -13.910 -10.518 -23.398 1.00 5.21 C ATOM 1395 O VAL A 114 -13.212 -10.802 -24.371 1.00 74.03 O ATOM 1396 CB VAL A 114 -13.605 -8.096 -23.918 1.00 2.10 C ATOM 1397 CG1 VAL A 114 -14.184 -6.696 -23.779 1.00 33.40 C ATOM 1398 CG2 VAL A 114 -12.213 -8.168 -23.309 1.00 65.34 C ATOM 0 H VAL A 114 -13.964 -8.525 -21.338 1.00 33.52 H new ATOM 0 HA VAL A 114 -15.498 -9.122 -23.772 1.00 5.13 H new ATOM 0 HB VAL A 114 -13.525 -8.326 -24.980 1.00 2.10 H new ATOM 0 HG11 VAL A 114 -13.513 -5.977 -24.248 1.00 33.40 H new ATOM 0 HG12 VAL A 114 -15.158 -6.655 -24.266 1.00 33.40 H new ATOM 0 HG13 VAL A 114 -14.296 -6.452 -22.723 1.00 33.40 H new ATOM 0 HG21 VAL A 114 -11.569 -7.428 -23.784 1.00 65.34 H new ATOM 0 HG22 VAL A 114 -12.273 -7.964 -22.240 1.00 65.34 H new ATOM 0 HG23 VAL A 114 -11.798 -9.164 -23.466 1.00 65.34 H new ATOM 1408 N ALA A 115 -14.165 -11.376 -22.415 1.00 43.54 N ATOM 1409 CA ALA A 115 -13.629 -12.731 -22.427 1.00 33.24 C ATOM 1410 C ALA A 115 -14.395 -13.616 -23.405 1.00 2.31 C ATOM 1411 O ALA A 115 -13.801 -14.412 -24.131 1.00 45.51 O ATOM 1412 CB ALA A 115 -13.673 -13.328 -21.027 1.00 51.55 C ATOM 0 H ALA A 115 -14.739 -11.156 -21.601 1.00 43.54 H new ATOM 0 HA ALA A 115 -12.592 -12.682 -22.758 1.00 33.24 H new ATOM 0 HB1 ALA A 115 -13.270 -14.340 -21.050 1.00 51.55 H new ATOM 0 HB2 ALA A 115 -13.076 -12.715 -20.351 1.00 51.55 H new ATOM 0 HB3 ALA A 115 -14.704 -13.356 -20.676 1.00 51.55 H new ATOM 1418 N GLU A 116 -15.716 -13.471 -23.417 1.00 52.23 N ATOM 1419 CA GLU A 116 -16.562 -14.259 -24.306 1.00 51.31 C ATOM 1420 C GLU A 116 -16.139 -14.079 -25.761 1.00 43.21 C ATOM 1421 O GLU A 116 -16.217 -15.011 -26.561 1.00 62.23 O ATOM 1422 CB GLU A 116 -18.029 -13.859 -24.137 1.00 53.13 C ATOM 1423 CG GLU A 116 -18.315 -12.417 -24.522 1.00 75.14 C ATOM 1424 CD GLU A 116 -19.612 -11.901 -23.929 1.00 72.33 C ATOM 1425 OE1 GLU A 116 -19.885 -12.199 -22.748 1.00 22.03 O ATOM 1426 OE2 GLU A 116 -20.354 -11.199 -24.648 1.00 34.13 O ATOM 0 H GLU A 116 -16.223 -12.816 -22.822 1.00 52.23 H new ATOM 0 HA GLU A 116 -16.446 -15.309 -24.039 1.00 51.31 H new ATOM 0 HB2 GLU A 116 -18.649 -14.518 -24.745 1.00 53.13 H new ATOM 0 HB3 GLU A 116 -18.322 -14.014 -23.099 1.00 53.13 H new ATOM 0 HG2 GLU A 116 -17.491 -11.786 -24.189 1.00 75.14 H new ATOM 0 HG3 GLU A 116 -18.359 -12.337 -25.608 1.00 75.14 H new ATOM 1433 N ASP A 117 -15.691 -12.874 -26.096 1.00 11.20 N ATOM 1434 CA ASP A 117 -15.255 -12.570 -27.454 1.00 24.40 C ATOM 1435 C ASP A 117 -13.912 -11.847 -27.444 1.00 42.43 C ATOM 1436 O ASP A 117 -13.350 -11.545 -28.498 1.00 72.45 O ATOM 1437 CB ASP A 117 -16.303 -11.717 -28.171 1.00 25.53 C ATOM 1438 CG ASP A 117 -16.278 -11.912 -29.674 1.00 61.30 C ATOM 1439 OD1 ASP A 117 -16.795 -12.946 -30.146 1.00 51.04 O ATOM 1440 OD2 ASP A 117 -15.741 -11.032 -30.378 1.00 43.41 O ATOM 0 H ASP A 117 -15.620 -12.092 -25.446 1.00 11.20 H new ATOM 0 HA ASP A 117 -15.137 -13.511 -27.990 1.00 24.40 H new ATOM 0 HB2 ASP A 117 -17.293 -11.968 -27.791 1.00 25.53 H new ATOM 0 HB3 ASP A 117 -16.131 -10.666 -27.941 1.00 25.53 H new TER 1445 ASP A 117