USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 612 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 7 THR OG1 : rot -120:sc= 1.27 USER MOD Set 1.2: A 8 GLN : amide:sc= -3.33! C(o=-2.1!,f=-0.66!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 17 ASN : amide:sc= -1.96! K(o=-2!,f=-0.016) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 48:sc= 0.117 USER MOD Single : A 33 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.9!) USER MOD Single : A 34 ASN : amide:sc= -0.0157 K(o=-0.016,f=-2.7) USER MOD Single : A 35 HIS : no HD1:sc= -1.25 K(o=-1.3,f=0.36) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -69:sc= 1.3 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.163 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0623 X(o=-0.062,f=-0.068) USER MOD Single : A 46 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.0035) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 1.91 (180deg=1.77) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= 1.18 (180deg=1.05) USER MOD Single : A 53 GLN : amide:sc= 0.89 K(o=0.89,f=-3.8!) USER MOD Single : A 54 HIS : no HD1:sc= 0.0875 K(o=0.088,f=-4.7!) USER MOD Single : A 56 MET CE :methyl 180:sc= -2.97! (180deg=-2.97!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= -0.0736 (180deg=-0.336) USER MOD Single : A 65 ASN : amide:sc=-0.000576 K(o=-0.00058,f=-1.3) USER MOD Single : A 67 HIS : no HD1:sc= -0.0589 X(o=-0.059,f=-0.059) USER MOD Single : A 70 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.14) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 38:sc= 0.29 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.0531 USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= -0.0627 (180deg=-0.335) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.794 -2.488 -13.336 1.00 72.44 N ATOM 2 CA PRO A 1 5.195 -1.264 -14.061 1.00 63.23 C ATOM 3 C PRO A 1 4.298 -1.036 -15.270 1.00 50.34 C ATOM 4 O PRO A 1 4.148 -1.913 -16.122 1.00 54.34 O ATOM 5 CB PRO A 1 6.643 -1.398 -14.490 1.00 35.02 C ATOM 6 CG PRO A 1 7.162 -2.449 -13.581 1.00 24.21 C ATOM 7 CD PRO A 1 5.992 -3.352 -13.259 1.00 63.42 C ATOM 0 H2 PRO A 1 4.035 -2.965 -13.823 1.00 72.44 H new ATOM 0 H3 PRO A 1 4.452 -2.260 -12.402 1.00 72.44 H new ATOM 0 HA PRO A 1 5.089 -0.402 -13.402 1.00 63.23 H new ATOM 0 HB2 PRO A 1 6.729 -1.691 -15.536 1.00 35.02 H new ATOM 0 HB3 PRO A 1 7.187 -0.460 -14.375 1.00 35.02 H new ATOM 0 HG2 PRO A 1 7.967 -3.010 -14.056 1.00 24.21 H new ATOM 0 HG3 PRO A 1 7.574 -2.008 -12.673 1.00 24.21 H new ATOM 0 HD2 PRO A 1 5.927 -4.178 -13.968 1.00 63.42 H new ATOM 0 HD3 PRO A 1 6.096 -3.791 -12.267 1.00 63.42 H new ATOM 17 N GLY A 2 3.706 0.144 -15.332 1.00 35.53 N ATOM 18 CA GLY A 2 2.801 0.476 -16.409 1.00 24.52 C ATOM 19 C GLY A 2 1.493 1.014 -15.873 1.00 1.40 C ATOM 20 O GLY A 2 1.297 2.229 -15.798 1.00 22.44 O ATOM 0 H GLY A 2 3.839 0.887 -14.646 1.00 35.53 H new ATOM 0 HA2 GLY A 2 3.263 1.217 -17.061 1.00 24.52 H new ATOM 0 HA3 GLY A 2 2.612 -0.409 -17.016 1.00 24.52 H new ATOM 24 N SER A 3 0.605 0.108 -15.494 1.00 10.13 N ATOM 25 CA SER A 3 -0.657 0.474 -14.873 1.00 12.40 C ATOM 26 C SER A 3 -1.320 -0.762 -14.282 1.00 50.22 C ATOM 27 O SER A 3 -1.051 -1.886 -14.712 1.00 24.11 O ATOM 28 CB SER A 3 -1.585 1.147 -15.889 1.00 44.31 C ATOM 29 OG SER A 3 -1.772 0.337 -17.040 1.00 54.01 O ATOM 0 H SER A 3 0.738 -0.897 -15.608 1.00 10.13 H new ATOM 0 HA SER A 3 -0.460 1.186 -14.072 1.00 12.40 H new ATOM 0 HB2 SER A 3 -2.550 1.348 -15.424 1.00 44.31 H new ATOM 0 HB3 SER A 3 -1.166 2.109 -16.184 1.00 44.31 H new ATOM 0 HG SER A 3 -2.370 0.794 -17.668 1.00 54.01 H new ATOM 35 N MET A 4 -2.159 -0.560 -13.282 1.00 64.30 N ATOM 36 CA MET A 4 -2.892 -1.658 -12.679 1.00 73.21 C ATOM 37 C MET A 4 -4.179 -1.911 -13.452 1.00 42.35 C ATOM 38 O MET A 4 -4.796 -0.976 -13.967 1.00 54.24 O ATOM 39 CB MET A 4 -3.212 -1.366 -11.208 1.00 72.52 C ATOM 40 CG MET A 4 -2.030 -1.536 -10.260 1.00 21.33 C ATOM 41 SD MET A 4 -0.701 -0.349 -10.549 1.00 14.12 S ATOM 42 CE MET A 4 0.429 -0.792 -9.229 1.00 12.30 C ATOM 0 H MET A 4 -2.350 0.354 -12.871 1.00 64.30 H new ATOM 0 HA MET A 4 -2.266 -2.549 -12.720 1.00 73.21 H new ATOM 0 HB2 MET A 4 -3.584 -0.345 -11.126 1.00 72.52 H new ATOM 0 HB3 MET A 4 -4.018 -2.026 -10.886 1.00 72.52 H new ATOM 0 HG2 MET A 4 -2.380 -1.435 -9.233 1.00 21.33 H new ATOM 0 HG3 MET A 4 -1.634 -2.546 -10.363 1.00 21.33 H new ATOM 0 HE1 MET A 4 1.307 -0.147 -9.270 1.00 12.30 H new ATOM 0 HE2 MET A 4 -0.068 -0.667 -8.267 1.00 12.30 H new ATOM 0 HE3 MET A 4 0.736 -1.831 -9.347 1.00 12.30 H new ATOM 52 N THR A 5 -4.557 -3.171 -13.558 1.00 5.32 N ATOM 53 CA THR A 5 -5.807 -3.540 -14.193 1.00 22.53 C ATOM 54 C THR A 5 -6.973 -3.284 -13.247 1.00 65.22 C ATOM 55 O THR A 5 -6.912 -3.637 -12.068 1.00 62.04 O ATOM 56 CB THR A 5 -5.790 -5.023 -14.612 1.00 42.10 C ATOM 57 OG1 THR A 5 -5.307 -5.826 -13.527 1.00 71.41 O ATOM 58 CG2 THR A 5 -4.907 -5.235 -15.834 1.00 53.01 C ATOM 0 H THR A 5 -4.012 -3.960 -13.210 1.00 5.32 H new ATOM 0 HA THR A 5 -5.929 -2.928 -15.086 1.00 22.53 H new ATOM 0 HB THR A 5 -6.808 -5.318 -14.866 1.00 42.10 H new ATOM 0 HG1 THR A 5 -5.299 -6.768 -13.796 1.00 71.41 H new ATOM 0 HG21 THR A 5 -4.913 -6.290 -16.108 1.00 53.01 H new ATOM 0 HG22 THR A 5 -5.288 -4.642 -16.665 1.00 53.01 H new ATOM 0 HG23 THR A 5 -3.887 -4.925 -15.604 1.00 53.01 H new ATOM 66 N VAL A 6 -8.025 -2.665 -13.761 1.00 4.20 N ATOM 67 CA VAL A 6 -9.185 -2.349 -12.946 1.00 13.52 C ATOM 68 C VAL A 6 -10.150 -3.527 -12.922 1.00 40.55 C ATOM 69 O VAL A 6 -10.120 -4.383 -13.811 1.00 4.41 O ATOM 70 CB VAL A 6 -9.916 -1.086 -13.455 1.00 75.41 C ATOM 71 CG1 VAL A 6 -9.014 0.134 -13.344 1.00 44.14 C ATOM 72 CG2 VAL A 6 -10.385 -1.270 -14.892 1.00 12.15 C ATOM 0 H VAL A 6 -8.098 -2.373 -14.736 1.00 4.20 H new ATOM 0 HA VAL A 6 -8.829 -2.148 -11.935 1.00 13.52 H new ATOM 0 HB VAL A 6 -10.794 -0.928 -12.828 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -9.546 1.014 -13.707 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -8.732 0.285 -12.302 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -8.117 -0.021 -13.944 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -10.896 -0.367 -15.226 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -9.525 -1.459 -15.534 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -11.070 -2.116 -14.946 1.00 12.15 H new ATOM 82 N THR A 7 -10.983 -3.578 -11.894 1.00 31.41 N ATOM 83 CA THR A 7 -11.954 -4.649 -11.751 1.00 35.31 C ATOM 84 C THR A 7 -13.150 -4.393 -12.667 1.00 31.42 C ATOM 85 O THR A 7 -13.248 -3.335 -13.295 1.00 72.04 O ATOM 86 CB THR A 7 -12.423 -4.789 -10.281 1.00 54.51 C ATOM 87 OG1 THR A 7 -13.187 -5.992 -10.109 1.00 5.41 O ATOM 88 CG2 THR A 7 -13.255 -3.584 -9.847 1.00 10.33 C ATOM 0 H THR A 7 -11.005 -2.887 -11.144 1.00 31.41 H new ATOM 0 HA THR A 7 -11.475 -5.585 -12.039 1.00 35.31 H new ATOM 0 HB THR A 7 -11.532 -4.836 -9.654 1.00 54.51 H new ATOM 0 HG1 THR A 7 -14.087 -5.766 -9.794 1.00 5.41 H new ATOM 0 HG21 THR A 7 -13.569 -3.713 -8.811 1.00 10.33 H new ATOM 0 HG22 THR A 7 -12.656 -2.678 -9.935 1.00 10.33 H new ATOM 0 HG23 THR A 7 -14.135 -3.501 -10.485 1.00 10.33 H new ATOM 96 N GLN A 8 -14.059 -5.351 -12.736 1.00 3.23 N ATOM 97 CA GLN A 8 -15.228 -5.239 -13.592 1.00 50.02 C ATOM 98 C GLN A 8 -16.283 -4.373 -12.913 1.00 1.14 C ATOM 99 O GLN A 8 -17.353 -4.855 -12.561 1.00 72.35 O ATOM 100 CB GLN A 8 -15.826 -6.619 -13.904 1.00 43.14 C ATOM 101 CG GLN A 8 -14.821 -7.664 -14.372 1.00 33.25 C ATOM 102 CD GLN A 8 -13.982 -8.234 -13.242 1.00 53.30 C ATOM 103 OE1 GLN A 8 -12.839 -8.636 -13.450 1.00 54.41 O ATOM 104 NE2 GLN A 8 -14.541 -8.271 -12.038 1.00 54.35 N ATOM 0 H GLN A 8 -14.009 -6.221 -12.206 1.00 3.23 H new ATOM 0 HA GLN A 8 -14.916 -4.779 -14.530 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -16.326 -6.992 -13.010 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -16.591 -6.502 -14.672 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -15.354 -8.476 -14.866 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -14.162 -7.217 -15.116 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -15.492 -7.928 -11.907 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -14.019 -8.643 -11.245 1.00 54.35 H new ATOM 113 N SER A 9 -15.972 -3.095 -12.740 1.00 52.14 N ATOM 114 CA SER A 9 -16.830 -2.183 -11.992 1.00 2.52 C ATOM 115 C SER A 9 -18.271 -2.209 -12.504 1.00 0.31 C ATOM 116 O SER A 9 -19.218 -2.184 -11.718 1.00 54.11 O ATOM 117 CB SER A 9 -16.256 -0.770 -12.066 1.00 33.54 C ATOM 118 OG SER A 9 -14.914 -0.754 -11.606 1.00 75.12 O ATOM 0 H SER A 9 -15.125 -2.663 -13.110 1.00 52.14 H new ATOM 0 HA SER A 9 -16.856 -2.511 -10.953 1.00 2.52 H new ATOM 0 HB2 SER A 9 -16.299 -0.407 -13.093 1.00 33.54 H new ATOM 0 HB3 SER A 9 -16.861 -0.093 -11.463 1.00 33.54 H new ATOM 0 HG SER A 9 -14.560 0.158 -11.661 1.00 75.12 H new ATOM 124 N GLN A 10 -18.432 -2.294 -13.819 1.00 65.43 N ATOM 125 CA GLN A 10 -19.759 -2.351 -14.420 1.00 50.30 C ATOM 126 C GLN A 10 -20.434 -3.695 -14.137 1.00 24.22 C ATOM 127 O GLN A 10 -21.653 -3.764 -13.962 1.00 13.03 O ATOM 128 CB GLN A 10 -19.666 -2.105 -15.925 1.00 3.51 C ATOM 129 CG GLN A 10 -19.024 -0.774 -16.278 1.00 31.21 C ATOM 130 CD GLN A 10 -18.987 -0.517 -17.770 1.00 30.13 C ATOM 131 OE1 GLN A 10 -19.864 -0.961 -18.513 1.00 43.14 O ATOM 132 NE2 GLN A 10 -17.975 0.203 -18.218 1.00 21.05 N ATOM 0 H GLN A 10 -17.663 -2.325 -14.488 1.00 65.43 H new ATOM 0 HA GLN A 10 -20.371 -1.568 -13.972 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -19.092 -2.910 -16.383 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -20.667 -2.143 -16.355 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -19.574 0.030 -15.789 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -18.008 -0.750 -15.885 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -17.270 0.552 -17.568 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -17.898 0.411 -19.214 1.00 21.05 H new ATOM 141 N LEU A 11 -19.640 -4.760 -14.081 1.00 1.21 N ATOM 142 CA LEU A 11 -20.167 -6.091 -13.796 1.00 12.41 C ATOM 143 C LEU A 11 -20.576 -6.198 -12.330 1.00 54.11 C ATOM 144 O LEU A 11 -21.680 -6.652 -12.022 1.00 71.13 O ATOM 145 CB LEU A 11 -19.136 -7.169 -14.138 1.00 53.43 C ATOM 146 CG LEU A 11 -19.595 -8.612 -13.906 1.00 4.24 C ATOM 147 CD1 LEU A 11 -20.791 -8.946 -14.786 1.00 55.21 C ATOM 148 CD2 LEU A 11 -18.449 -9.578 -14.170 1.00 61.15 C ATOM 0 H LEU A 11 -18.631 -4.728 -14.229 1.00 1.21 H new ATOM 0 HA LEU A 11 -21.048 -6.249 -14.419 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -18.854 -7.059 -15.185 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -18.239 -6.991 -13.545 1.00 53.43 H new ATOM 0 HG LEU A 11 -19.902 -8.713 -12.865 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -21.100 -9.975 -14.605 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -21.615 -8.273 -14.550 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -20.515 -8.829 -15.834 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -18.788 -10.600 -14.002 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -18.114 -9.472 -15.202 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -17.622 -9.355 -13.496 1.00 61.15 H new ATOM 160 N GLU A 12 -19.692 -5.773 -11.433 1.00 14.13 N ATOM 161 CA GLU A 12 -20.011 -5.734 -10.010 1.00 13.33 C ATOM 162 C GLU A 12 -21.229 -4.849 -9.761 1.00 23.45 C ATOM 163 O GLU A 12 -22.067 -5.156 -8.909 1.00 35.24 O ATOM 164 CB GLU A 12 -18.821 -5.235 -9.179 1.00 72.23 C ATOM 165 CG GLU A 12 -17.749 -6.288 -8.909 1.00 2.41 C ATOM 166 CD GLU A 12 -16.793 -6.494 -10.069 1.00 74.31 C ATOM 167 OE1 GLU A 12 -15.796 -5.746 -10.154 1.00 33.12 O ATOM 168 OE2 GLU A 12 -17.026 -7.409 -10.887 1.00 23.41 O ATOM 0 H GLU A 12 -18.752 -5.452 -11.665 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.238 -6.753 -9.696 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -18.362 -4.392 -9.696 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -19.192 -4.860 -8.225 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -17.179 -5.996 -8.027 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -18.234 -7.236 -8.676 1.00 2.41 H new ATOM 175 N LEU A 13 -21.327 -3.752 -10.509 1.00 24.43 N ATOM 176 CA LEU A 13 -22.499 -2.889 -10.445 1.00 1.43 C ATOM 177 C LEU A 13 -23.744 -3.666 -10.860 1.00 31.21 C ATOM 178 O LEU A 13 -24.770 -3.604 -10.189 1.00 4.34 O ATOM 179 CB LEU A 13 -22.299 -1.645 -11.327 1.00 73.45 C ATOM 180 CG LEU A 13 -23.502 -0.698 -11.458 1.00 63.21 C ATOM 181 CD1 LEU A 13 -23.022 0.725 -11.687 1.00 44.11 C ATOM 182 CD2 LEU A 13 -24.403 -1.123 -12.611 1.00 50.21 C ATOM 0 H LEU A 13 -20.609 -3.442 -11.164 1.00 24.43 H new ATOM 0 HA LEU A 13 -22.635 -2.551 -9.418 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -21.459 -1.076 -10.929 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -22.015 -1.977 -12.326 1.00 73.45 H new ATOM 0 HG LEU A 13 -24.074 -0.745 -10.531 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -23.882 1.389 -11.779 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -22.407 1.042 -10.844 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -22.432 0.767 -12.603 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -25.248 -0.438 -12.684 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -23.837 -1.102 -13.542 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -24.770 -2.134 -12.433 1.00 50.21 H new ATOM 194 N LEU A 14 -23.636 -4.413 -11.953 1.00 72.01 N ATOM 195 CA LEU A 14 -24.747 -5.217 -12.450 1.00 3.52 C ATOM 196 C LEU A 14 -25.238 -6.166 -11.356 1.00 71.02 C ATOM 197 O LEU A 14 -26.437 -6.238 -11.077 1.00 70.32 O ATOM 198 CB LEU A 14 -24.306 -5.998 -13.699 1.00 33.20 C ATOM 199 CG LEU A 14 -25.419 -6.667 -14.525 1.00 40.12 C ATOM 200 CD1 LEU A 14 -25.925 -7.942 -13.863 1.00 54.01 C ATOM 201 CD2 LEU A 14 -26.568 -5.698 -14.756 1.00 11.21 C ATOM 0 H LEU A 14 -22.787 -4.479 -12.514 1.00 72.01 H new ATOM 0 HA LEU A 14 -25.573 -4.562 -12.727 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -23.761 -5.316 -14.352 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -23.603 -6.770 -13.387 1.00 33.20 H new ATOM 0 HG LEU A 14 -24.990 -6.943 -15.488 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -26.710 -8.384 -14.477 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -25.102 -8.650 -13.760 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -26.325 -7.706 -12.877 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -27.345 -6.189 -15.342 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -26.979 -5.386 -13.796 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -26.204 -4.824 -15.296 1.00 11.21 H new ATOM 213 N ILE A 15 -24.301 -6.867 -10.729 1.00 13.25 N ATOM 214 CA ILE A 15 -24.627 -7.801 -9.657 1.00 24.23 C ATOM 215 C ILE A 15 -25.279 -7.071 -8.484 1.00 61.32 C ATOM 216 O ILE A 15 -26.299 -7.513 -7.959 1.00 75.31 O ATOM 217 CB ILE A 15 -23.372 -8.544 -9.149 1.00 33.14 C ATOM 218 CG1 ILE A 15 -22.651 -9.235 -10.308 1.00 70.34 C ATOM 219 CG2 ILE A 15 -23.754 -9.561 -8.080 1.00 52.02 C ATOM 220 CD1 ILE A 15 -21.319 -9.841 -9.917 1.00 63.52 C ATOM 0 H ILE A 15 -23.306 -6.806 -10.945 1.00 13.25 H new ATOM 0 HA ILE A 15 -25.324 -8.530 -10.071 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.694 -7.813 -8.708 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -23.294 -10.019 -10.709 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -22.491 -8.512 -11.108 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -22.859 -10.077 -7.732 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.226 -9.048 -7.242 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.450 -10.287 -8.500 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -20.865 -10.314 -10.788 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -20.659 -9.058 -9.543 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -21.474 -10.588 -9.138 1.00 63.52 H new ATOM 232 N ARG A 16 -24.697 -5.942 -8.093 1.00 32.24 N ATOM 233 CA ARG A 16 -25.206 -5.160 -6.973 1.00 15.30 C ATOM 234 C ARG A 16 -26.597 -4.606 -7.276 1.00 74.23 C ATOM 235 O ARG A 16 -27.468 -4.580 -6.409 1.00 15.23 O ATOM 236 CB ARG A 16 -24.247 -4.012 -6.650 1.00 23.14 C ATOM 237 CG ARG A 16 -24.625 -3.234 -5.400 1.00 71.35 C ATOM 238 CD ARG A 16 -24.616 -4.123 -4.165 1.00 63.11 C ATOM 239 NE ARG A 16 -25.015 -3.395 -2.961 1.00 73.55 N ATOM 240 CZ ARG A 16 -24.951 -3.901 -1.732 1.00 72.42 C ATOM 241 NH1 ARG A 16 -24.502 -5.136 -1.545 1.00 4.32 N ATOM 242 NH2 ARG A 16 -25.335 -3.170 -0.691 1.00 75.13 N ATOM 0 H ARG A 16 -23.869 -5.547 -8.538 1.00 32.24 H new ATOM 0 HA ARG A 16 -25.281 -5.820 -6.108 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -23.241 -4.414 -6.527 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -24.215 -3.327 -7.498 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -23.928 -2.408 -5.260 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -25.615 -2.797 -5.528 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -25.291 -4.965 -4.320 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -23.618 -4.537 -4.024 1.00 63.11 H new ATOM 0 HE ARG A 16 -25.363 -2.442 -3.070 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -24.206 -5.697 -2.343 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -24.453 -5.524 -0.603 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -25.679 -2.220 -0.834 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -25.286 -3.558 0.251 1.00 75.13 H new ATOM 256 N ASN A 17 -26.798 -4.166 -8.512 1.00 21.01 N ATOM 257 CA ASN A 17 -28.084 -3.614 -8.928 1.00 71.44 C ATOM 258 C ASN A 17 -29.126 -4.722 -9.038 1.00 24.13 C ATOM 259 O ASN A 17 -30.319 -4.490 -8.832 1.00 64.41 O ATOM 260 CB ASN A 17 -27.966 -2.874 -10.270 1.00 22.11 C ATOM 261 CG ASN A 17 -27.257 -1.526 -10.173 1.00 54.33 C ATOM 262 OD1 ASN A 17 -27.564 -0.599 -10.924 1.00 70.12 O ATOM 263 ND2 ASN A 17 -26.298 -1.406 -9.266 1.00 64.22 N ATOM 0 H ASN A 17 -26.088 -4.180 -9.244 1.00 21.01 H new ATOM 0 HA ASN A 17 -28.399 -2.898 -8.169 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -27.428 -3.506 -10.976 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -28.965 -2.719 -10.678 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -25.790 -0.526 -9.175 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -26.068 -2.193 -8.659 1.00 64.22 H new ATOM 270 N ALA A 18 -28.669 -5.928 -9.364 1.00 24.13 N ATOM 271 CA ALA A 18 -29.555 -7.080 -9.474 1.00 52.44 C ATOM 272 C ALA A 18 -29.907 -7.633 -8.098 1.00 63.32 C ATOM 273 O ALA A 18 -31.075 -7.877 -7.797 1.00 53.11 O ATOM 274 CB ALA A 18 -28.917 -8.165 -10.330 1.00 44.34 C ATOM 0 H ALA A 18 -27.688 -6.132 -9.557 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.476 -6.750 -9.955 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -29.593 -9.017 -10.401 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -28.721 -7.773 -11.328 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -27.979 -8.483 -9.875 1.00 44.34 H new ATOM 280 N PHE A 19 -28.896 -7.832 -7.266 1.00 32.44 N ATOM 281 CA PHE A 19 -29.097 -8.365 -5.929 1.00 64.45 C ATOM 282 C PHE A 19 -28.403 -7.488 -4.891 1.00 11.13 C ATOM 283 O PHE A 19 -27.219 -7.672 -4.605 1.00 74.13 O ATOM 284 CB PHE A 19 -28.567 -9.798 -5.832 1.00 5.30 C ATOM 285 CG PHE A 19 -29.223 -10.764 -6.777 1.00 32.32 C ATOM 286 CD1 PHE A 19 -30.485 -11.269 -6.507 1.00 44.11 C ATOM 287 CD2 PHE A 19 -28.575 -11.168 -7.935 1.00 21.44 C ATOM 288 CE1 PHE A 19 -31.089 -12.160 -7.374 1.00 53.12 C ATOM 289 CE2 PHE A 19 -29.174 -12.060 -8.806 1.00 21.41 C ATOM 290 CZ PHE A 19 -30.432 -12.556 -8.525 1.00 4.25 C ATOM 0 H PHE A 19 -27.923 -7.631 -7.496 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.168 -8.371 -5.728 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -27.494 -9.790 -6.025 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -28.704 -10.156 -4.812 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -31.002 -10.963 -5.610 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -27.592 -10.782 -8.159 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -32.073 -12.547 -7.153 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -28.659 -12.368 -9.704 1.00 21.41 H new ATOM 0 HZ PHE A 19 -30.902 -13.252 -9.203 1.00 4.25 H new ATOM 300 N PRO A 20 -29.125 -6.514 -4.319 1.00 74.32 N ATOM 301 CA PRO A 20 -28.576 -5.631 -3.284 1.00 62.04 C ATOM 302 C PRO A 20 -28.375 -6.361 -1.958 1.00 53.13 C ATOM 303 O PRO A 20 -27.691 -5.873 -1.059 1.00 3.14 O ATOM 304 CB PRO A 20 -29.641 -4.540 -3.146 1.00 73.25 C ATOM 305 CG PRO A 20 -30.907 -5.184 -3.589 1.00 43.34 C ATOM 306 CD PRO A 20 -30.523 -6.180 -4.649 1.00 54.10 C ATOM 0 HA PRO A 20 -27.592 -5.246 -3.550 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -29.715 -4.188 -2.117 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -29.401 -3.674 -3.762 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -31.406 -5.677 -2.754 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -31.603 -4.444 -3.984 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.163 -7.062 -4.622 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -30.609 -5.755 -5.649 1.00 54.10 H new ATOM 314 N GLU A 21 -28.971 -7.541 -1.857 1.00 43.25 N ATOM 315 CA GLU A 21 -28.882 -8.353 -0.655 1.00 14.45 C ATOM 316 C GLU A 21 -27.810 -9.429 -0.802 1.00 61.52 C ATOM 317 O GLU A 21 -27.668 -10.305 0.053 1.00 44.12 O ATOM 318 CB GLU A 21 -30.231 -9.012 -0.372 1.00 73.54 C ATOM 319 CG GLU A 21 -30.709 -9.918 -1.500 1.00 25.00 C ATOM 320 CD GLU A 21 -32.009 -10.616 -1.176 1.00 21.25 C ATOM 321 OE1 GLU A 21 -31.998 -11.529 -0.326 1.00 31.02 O ATOM 322 OE2 GLU A 21 -33.045 -10.263 -1.778 1.00 2.14 O ATOM 0 H GLU A 21 -29.527 -7.959 -2.603 1.00 43.25 H new ATOM 0 HA GLU A 21 -28.610 -7.702 0.176 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -30.157 -9.595 0.546 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -30.977 -8.236 -0.198 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -30.835 -9.327 -2.407 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -29.943 -10.665 -1.710 1.00 25.00 H new ATOM 329 N ALA A 22 -27.061 -9.364 -1.893 1.00 13.31 N ATOM 330 CA ALA A 22 -26.060 -10.375 -2.182 1.00 45.34 C ATOM 331 C ALA A 22 -24.669 -9.914 -1.780 1.00 74.40 C ATOM 332 O ALA A 22 -24.277 -8.776 -2.045 1.00 53.45 O ATOM 333 CB ALA A 22 -26.083 -10.740 -3.657 1.00 43.43 C ATOM 0 H ALA A 22 -27.129 -8.623 -2.590 1.00 13.31 H new ATOM 0 HA ALA A 22 -26.305 -11.258 -1.592 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -25.326 -11.499 -3.856 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -27.066 -11.130 -3.920 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -25.873 -9.853 -4.255 1.00 43.43 H new ATOM 339 N GLU A 23 -23.937 -10.797 -1.120 1.00 31.23 N ATOM 340 CA GLU A 23 -22.549 -10.538 -0.791 1.00 5.24 C ATOM 341 C GLU A 23 -21.667 -10.855 -1.990 1.00 11.04 C ATOM 342 O GLU A 23 -21.461 -12.025 -2.332 1.00 5.32 O ATOM 343 CB GLU A 23 -22.101 -11.360 0.422 1.00 2.23 C ATOM 344 CG GLU A 23 -22.390 -10.701 1.764 1.00 32.11 C ATOM 345 CD GLU A 23 -23.865 -10.504 2.037 1.00 53.32 C ATOM 346 OE1 GLU A 23 -24.523 -11.469 2.477 1.00 2.10 O ATOM 347 OE2 GLU A 23 -24.367 -9.378 1.843 1.00 74.04 O ATOM 0 H GLU A 23 -24.285 -11.702 -0.802 1.00 31.23 H new ATOM 0 HA GLU A 23 -22.451 -9.483 -0.536 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -22.597 -12.330 0.392 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -21.030 -11.547 0.345 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -21.960 -11.311 2.559 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -21.890 -9.733 1.799 1.00 32.11 H new ATOM 354 N ILE A 24 -21.182 -9.806 -2.641 1.00 13.41 N ATOM 355 CA ILE A 24 -20.309 -9.949 -3.793 1.00 74.24 C ATOM 356 C ILE A 24 -18.854 -10.027 -3.344 1.00 61.32 C ATOM 357 O ILE A 24 -18.321 -9.080 -2.768 1.00 75.31 O ATOM 358 CB ILE A 24 -20.462 -8.758 -4.760 1.00 14.12 C ATOM 359 CG1 ILE A 24 -21.940 -8.490 -5.052 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.702 -9.029 -6.051 1.00 42.15 C ATOM 361 CD1 ILE A 24 -22.176 -7.216 -5.833 1.00 33.11 C ATOM 0 H ILE A 24 -21.382 -8.839 -2.386 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.593 -10.866 -4.308 1.00 74.24 H new ATOM 0 HB ILE A 24 -20.041 -7.870 -4.289 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -22.351 -9.331 -5.610 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -22.485 -8.436 -4.110 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.817 -8.181 -6.726 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.645 -9.174 -5.827 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -20.099 -9.927 -6.525 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.245 -7.087 -6.005 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -21.795 -6.366 -5.267 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -21.659 -7.275 -6.791 1.00 33.11 H new ATOM 373 N THR A 25 -18.221 -11.159 -3.583 1.00 14.02 N ATOM 374 CA THR A 25 -16.815 -11.315 -3.266 1.00 54.43 C ATOM 375 C THR A 25 -16.020 -11.645 -4.524 1.00 60.33 C ATOM 376 O THR A 25 -16.083 -12.759 -5.040 1.00 24.53 O ATOM 377 CB THR A 25 -16.606 -12.421 -2.214 1.00 3.22 C ATOM 378 OG1 THR A 25 -17.515 -12.229 -1.123 1.00 13.51 O ATOM 379 CG2 THR A 25 -15.173 -12.417 -1.695 1.00 30.53 C ATOM 0 H THR A 25 -18.658 -11.984 -3.995 1.00 14.02 H new ATOM 0 HA THR A 25 -16.458 -10.371 -2.854 1.00 54.43 H new ATOM 0 HB THR A 25 -16.798 -13.384 -2.686 1.00 3.22 H new ATOM 0 HG1 THR A 25 -17.380 -12.935 -0.457 1.00 13.51 H new ATOM 0 HG21 THR A 25 -15.052 -13.207 -0.954 1.00 30.53 H new ATOM 0 HG22 THR A 25 -14.486 -12.588 -2.523 1.00 30.53 H new ATOM 0 HG23 THR A 25 -14.955 -11.453 -1.236 1.00 30.53 H new ATOM 387 N VAL A 26 -15.285 -10.670 -5.028 1.00 74.44 N ATOM 388 CA VAL A 26 -14.473 -10.880 -6.213 1.00 13.43 C ATOM 389 C VAL A 26 -13.126 -11.487 -5.828 1.00 70.34 C ATOM 390 O VAL A 26 -12.431 -10.986 -4.944 1.00 52.34 O ATOM 391 CB VAL A 26 -14.275 -9.569 -7.016 1.00 24.42 C ATOM 392 CG1 VAL A 26 -13.633 -8.488 -6.160 1.00 41.35 C ATOM 393 CG2 VAL A 26 -13.453 -9.821 -8.274 1.00 35.24 C ATOM 0 H VAL A 26 -15.234 -9.729 -4.637 1.00 74.44 H new ATOM 0 HA VAL A 26 -15.003 -11.578 -6.861 1.00 13.43 H new ATOM 0 HB VAL A 26 -15.260 -9.214 -7.318 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -13.508 -7.582 -6.752 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -14.272 -8.276 -5.302 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -12.659 -8.831 -5.811 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -13.328 -8.886 -8.820 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -12.474 -10.213 -7.997 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -13.968 -10.544 -8.906 1.00 35.24 H new ATOM 403 N THR A 27 -12.791 -12.601 -6.455 1.00 53.51 N ATOM 404 CA THR A 27 -11.538 -13.277 -6.185 1.00 3.34 C ATOM 405 C THR A 27 -10.703 -13.368 -7.456 1.00 43.20 C ATOM 406 O THR A 27 -11.125 -13.959 -8.452 1.00 52.12 O ATOM 407 CB THR A 27 -11.791 -14.693 -5.629 1.00 60.22 C ATOM 408 OG1 THR A 27 -12.760 -14.628 -4.570 1.00 55.14 O ATOM 409 CG2 THR A 27 -10.504 -15.311 -5.101 1.00 63.14 C ATOM 0 H THR A 27 -13.373 -13.057 -7.157 1.00 53.51 H new ATOM 0 HA THR A 27 -10.994 -12.698 -5.438 1.00 3.34 H new ATOM 0 HB THR A 27 -12.167 -15.318 -6.439 1.00 60.22 H new ATOM 0 HG1 THR A 27 -12.921 -15.528 -4.219 1.00 55.14 H new ATOM 0 HG21 THR A 27 -10.711 -16.309 -4.715 1.00 63.14 H new ATOM 0 HG22 THR A 27 -9.775 -15.378 -5.908 1.00 63.14 H new ATOM 0 HG23 THR A 27 -10.103 -14.689 -4.301 1.00 63.14 H new ATOM 417 N SER A 28 -9.536 -12.749 -7.429 1.00 23.54 N ATOM 418 CA SER A 28 -8.627 -12.791 -8.558 1.00 22.03 C ATOM 419 C SER A 28 -7.612 -13.916 -8.381 1.00 14.30 C ATOM 420 O SER A 28 -6.645 -13.785 -7.628 1.00 32.51 O ATOM 421 CB SER A 28 -7.928 -11.441 -8.708 1.00 23.21 C ATOM 422 OG SER A 28 -7.477 -10.959 -7.452 1.00 51.11 O ATOM 0 H SER A 28 -9.196 -12.209 -6.633 1.00 23.54 H new ATOM 0 HA SER A 28 -9.193 -12.991 -9.467 1.00 22.03 H new ATOM 0 HB2 SER A 28 -7.082 -11.539 -9.389 1.00 23.21 H new ATOM 0 HB3 SER A 28 -8.614 -10.720 -9.153 1.00 23.21 H new ATOM 0 HG SER A 28 -7.000 -11.673 -6.980 1.00 51.11 H new ATOM 428 N LEU A 29 -7.849 -15.029 -9.060 1.00 60.25 N ATOM 429 CA LEU A 29 -6.972 -16.183 -8.948 1.00 24.55 C ATOM 430 C LEU A 29 -5.718 -15.979 -9.784 1.00 12.10 C ATOM 431 O LEU A 29 -5.663 -16.363 -10.953 1.00 65.12 O ATOM 432 CB LEU A 29 -7.680 -17.479 -9.377 1.00 52.33 C ATOM 433 CG LEU A 29 -8.806 -17.974 -8.459 1.00 2.03 C ATOM 434 CD1 LEU A 29 -8.332 -18.045 -7.016 1.00 71.35 C ATOM 435 CD2 LEU A 29 -10.043 -17.097 -8.580 1.00 60.32 C ATOM 0 H LEU A 29 -8.639 -15.156 -9.692 1.00 60.25 H new ATOM 0 HA LEU A 29 -6.695 -16.282 -7.898 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -8.093 -17.329 -10.375 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -6.932 -18.268 -9.457 1.00 52.33 H new ATOM 0 HG LEU A 29 -9.080 -18.979 -8.779 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -9.146 -18.398 -6.383 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -7.490 -18.734 -6.943 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -8.020 -17.054 -6.686 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -10.822 -17.474 -7.918 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -9.792 -16.074 -8.300 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -10.402 -17.114 -9.609 1.00 60.32 H new ATOM 447 N VAL A 30 -4.731 -15.334 -9.184 1.00 4.40 N ATOM 448 CA VAL A 30 -3.462 -15.100 -9.841 1.00 1.44 C ATOM 449 C VAL A 30 -2.552 -16.315 -9.681 1.00 64.14 C ATOM 450 O VAL A 30 -2.316 -16.796 -8.566 1.00 15.34 O ATOM 451 CB VAL A 30 -2.767 -13.820 -9.303 1.00 71.32 C ATOM 452 CG1 VAL A 30 -2.580 -13.881 -7.794 1.00 52.04 C ATOM 453 CG2 VAL A 30 -1.432 -13.595 -9.997 1.00 30.41 C ATOM 0 H VAL A 30 -4.788 -14.962 -8.236 1.00 4.40 H new ATOM 0 HA VAL A 30 -3.658 -14.944 -10.902 1.00 1.44 H new ATOM 0 HB VAL A 30 -3.419 -12.975 -9.526 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -2.091 -12.969 -7.451 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -3.552 -13.975 -7.310 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -1.963 -14.742 -7.538 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -0.965 -12.693 -9.603 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -0.780 -14.450 -9.817 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -1.594 -13.481 -11.069 1.00 30.41 H new ATOM 463 N GLY A 31 -2.087 -16.830 -10.804 1.00 42.32 N ATOM 464 CA GLY A 31 -1.205 -17.976 -10.802 1.00 63.24 C ATOM 465 C GLY A 31 -0.370 -18.014 -12.055 1.00 24.53 C ATOM 466 O GLY A 31 0.633 -17.307 -12.162 1.00 24.33 O ATOM 0 H GLY A 31 -2.308 -16.469 -11.732 1.00 42.32 H new ATOM 0 HA2 GLY A 31 -0.555 -17.938 -9.928 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -1.792 -18.891 -10.723 1.00 63.24 H new ATOM 470 N ASP A 32 -0.789 -18.831 -13.006 1.00 54.21 N ATOM 471 CA ASP A 32 -0.162 -18.867 -14.320 1.00 24.22 C ATOM 472 C ASP A 32 -1.016 -18.080 -15.301 1.00 21.34 C ATOM 473 O ASP A 32 -0.618 -17.023 -15.786 1.00 50.54 O ATOM 474 CB ASP A 32 0.009 -20.308 -14.816 1.00 33.31 C ATOM 475 CG ASP A 32 0.906 -21.135 -13.922 1.00 63.05 C ATOM 476 OD1 ASP A 32 0.411 -21.688 -12.922 1.00 71.24 O ATOM 477 OD2 ASP A 32 2.113 -21.250 -14.222 1.00 1.50 O ATOM 0 H ASP A 32 -1.565 -19.483 -12.893 1.00 54.21 H new ATOM 0 HA ASP A 32 0.829 -18.420 -14.245 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -0.970 -20.783 -14.880 1.00 33.31 H new ATOM 0 HB3 ASP A 32 0.423 -20.293 -15.824 1.00 33.31 H new ATOM 482 N ASN A 33 -2.203 -18.600 -15.577 1.00 11.01 N ATOM 483 CA ASN A 33 -3.169 -17.901 -16.409 1.00 33.31 C ATOM 484 C ASN A 33 -4.200 -17.233 -15.508 1.00 73.15 C ATOM 485 O ASN A 33 -4.935 -17.910 -14.789 1.00 35.41 O ATOM 486 CB ASN A 33 -3.844 -18.881 -17.376 1.00 23.21 C ATOM 487 CG ASN A 33 -4.620 -18.189 -18.485 1.00 63.34 C ATOM 488 OD1 ASN A 33 -5.156 -17.094 -18.309 1.00 61.15 O ATOM 489 ND2 ASN A 33 -4.682 -18.828 -19.642 1.00 30.04 N ATOM 0 H ASN A 33 -2.520 -19.507 -15.235 1.00 11.01 H new ATOM 0 HA ASN A 33 -2.664 -17.140 -17.004 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -3.084 -19.525 -17.820 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -4.521 -19.526 -16.816 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -5.187 -18.415 -20.426 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -4.225 -19.734 -19.750 1.00 30.04 H new ATOM 496 N ASN A 34 -4.234 -15.907 -15.531 1.00 61.41 N ATOM 497 CA ASN A 34 -5.097 -15.148 -14.631 1.00 4.13 C ATOM 498 C ASN A 34 -6.569 -15.371 -14.944 1.00 1.44 C ATOM 499 O ASN A 34 -7.078 -14.922 -15.973 1.00 40.12 O ATOM 500 CB ASN A 34 -4.775 -13.654 -14.696 1.00 53.13 C ATOM 501 CG ASN A 34 -3.428 -13.317 -14.089 1.00 60.20 C ATOM 502 OD1 ASN A 34 -2.951 -14.001 -13.184 1.00 22.32 O ATOM 503 ND2 ASN A 34 -2.809 -12.254 -14.579 1.00 24.41 N ATOM 0 H ASN A 34 -3.675 -15.333 -16.162 1.00 61.41 H new ATOM 0 HA ASN A 34 -4.903 -15.510 -13.621 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -4.791 -13.328 -15.736 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -5.553 -13.096 -14.175 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -1.902 -11.975 -14.206 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -3.239 -11.714 -15.330 1.00 24.41 H new ATOM 510 N HIS A 35 -7.247 -16.071 -14.049 1.00 11.54 N ATOM 511 CA HIS A 35 -8.678 -16.305 -14.169 1.00 21.41 C ATOM 512 C HIS A 35 -9.372 -15.776 -12.927 1.00 54.15 C ATOM 513 O HIS A 35 -8.853 -15.911 -11.819 1.00 54.44 O ATOM 514 CB HIS A 35 -8.996 -17.795 -14.382 1.00 25.33 C ATOM 515 CG HIS A 35 -8.446 -18.716 -13.328 1.00 13.33 C ATOM 516 ND1 HIS A 35 -9.237 -19.350 -12.392 1.00 35.21 N ATOM 517 CD2 HIS A 35 -7.180 -19.134 -13.090 1.00 50.13 C ATOM 518 CE1 HIS A 35 -8.481 -20.116 -11.628 1.00 24.43 C ATOM 519 NE2 HIS A 35 -7.233 -20.002 -12.032 1.00 23.03 N ATOM 0 H HIS A 35 -6.824 -16.492 -13.222 1.00 11.54 H new ATOM 0 HA HIS A 35 -9.046 -15.776 -15.048 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -10.078 -17.918 -14.423 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -8.603 -18.100 -15.352 1.00 25.33 H new ATOM 0 HD2 HIS A 35 -6.294 -18.838 -13.633 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -8.827 -20.731 -10.811 1.00 24.43 H new ATOM 0 HE2 HIS A 35 -6.433 -20.484 -11.622 1.00 23.03 H new ATOM 528 N TYR A 36 -10.528 -15.168 -13.108 1.00 43.33 N ATOM 529 CA TYR A 36 -11.194 -14.485 -12.014 1.00 71.31 C ATOM 530 C TYR A 36 -12.475 -15.203 -11.628 1.00 40.50 C ATOM 531 O TYR A 36 -13.116 -15.845 -12.459 1.00 24.43 O ATOM 532 CB TYR A 36 -11.491 -13.034 -12.406 1.00 22.12 C ATOM 533 CG TYR A 36 -10.294 -12.320 -12.995 1.00 15.02 C ATOM 534 CD1 TYR A 36 -9.358 -11.695 -12.181 1.00 41.21 C ATOM 535 CD2 TYR A 36 -10.095 -12.285 -14.371 1.00 43.30 C ATOM 536 CE1 TYR A 36 -8.256 -11.059 -12.721 1.00 62.32 C ATOM 537 CE2 TYR A 36 -8.999 -11.650 -14.917 1.00 62.54 C ATOM 538 CZ TYR A 36 -8.082 -11.038 -14.089 1.00 1.54 C ATOM 539 OH TYR A 36 -6.982 -10.416 -14.629 1.00 12.31 O ATOM 0 H TYR A 36 -11.025 -15.132 -13.998 1.00 43.33 H new ATOM 0 HA TYR A 36 -10.531 -14.489 -11.149 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -12.307 -13.019 -13.129 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -11.834 -12.490 -11.526 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -9.493 -11.706 -11.110 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -10.811 -12.763 -15.023 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -7.535 -10.581 -12.075 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -8.860 -11.632 -15.988 1.00 62.54 H new ATOM 0 HH TYR A 36 -7.009 -10.493 -15.606 1.00 12.31 H new ATOM 549 N SER A 37 -12.830 -15.108 -10.361 1.00 2.23 N ATOM 550 CA SER A 37 -14.035 -15.737 -9.860 1.00 21.11 C ATOM 551 C SER A 37 -14.808 -14.773 -8.974 1.00 62.15 C ATOM 552 O SER A 37 -14.300 -14.307 -7.953 1.00 50.13 O ATOM 553 CB SER A 37 -13.675 -17.002 -9.080 1.00 62.23 C ATOM 554 OG SER A 37 -12.981 -17.922 -9.905 1.00 63.00 O ATOM 0 H SER A 37 -12.297 -14.598 -9.657 1.00 2.23 H new ATOM 0 HA SER A 37 -14.667 -16.010 -10.705 1.00 21.11 H new ATOM 0 HB2 SER A 37 -13.058 -16.741 -8.220 1.00 62.23 H new ATOM 0 HB3 SER A 37 -14.582 -17.466 -8.693 1.00 62.23 H new ATOM 0 HG SER A 37 -13.594 -18.284 -10.579 1.00 63.00 H new ATOM 560 N ILE A 38 -16.030 -14.462 -9.364 1.00 34.53 N ATOM 561 CA ILE A 38 -16.869 -13.589 -8.566 1.00 12.35 C ATOM 562 C ILE A 38 -17.853 -14.411 -7.744 1.00 21.51 C ATOM 563 O ILE A 38 -18.763 -15.041 -8.280 1.00 24.12 O ATOM 564 CB ILE A 38 -17.621 -12.547 -9.427 1.00 73.40 C ATOM 565 CG1 ILE A 38 -18.301 -13.210 -10.631 1.00 24.33 C ATOM 566 CG2 ILE A 38 -16.661 -11.460 -9.886 1.00 23.22 C ATOM 567 CD1 ILE A 38 -19.104 -12.250 -11.484 1.00 24.22 C ATOM 0 H ILE A 38 -16.462 -14.799 -10.224 1.00 34.53 H new ATOM 0 HA ILE A 38 -16.213 -13.035 -7.894 1.00 12.35 H new ATOM 0 HB ILE A 38 -18.400 -12.094 -8.814 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -17.540 -13.683 -11.251 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -18.959 -14.002 -10.274 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -17.199 -10.731 -10.492 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -16.232 -10.963 -9.016 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -15.863 -11.906 -10.480 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -19.555 -12.792 -12.316 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -19.889 -11.795 -10.879 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -18.447 -11.471 -11.872 1.00 24.22 H new ATOM 579 N LYS A 39 -17.630 -14.432 -6.441 1.00 62.41 N ATOM 580 CA LYS A 39 -18.455 -15.202 -5.528 1.00 70.34 C ATOM 581 C LYS A 39 -19.665 -14.385 -5.107 1.00 25.51 C ATOM 582 O LYS A 39 -19.526 -13.325 -4.502 1.00 73.43 O ATOM 583 CB LYS A 39 -17.632 -15.605 -4.300 1.00 35.52 C ATOM 584 CG LYS A 39 -18.338 -16.567 -3.360 1.00 1.32 C ATOM 585 CD LYS A 39 -17.494 -16.835 -2.125 1.00 0.22 C ATOM 586 CE LYS A 39 -18.078 -17.946 -1.268 1.00 64.33 C ATOM 587 NZ LYS A 39 -17.285 -18.167 -0.030 1.00 52.43 N ATOM 0 H LYS A 39 -16.875 -13.918 -5.988 1.00 62.41 H new ATOM 0 HA LYS A 39 -18.801 -16.104 -6.032 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -16.701 -16.062 -4.636 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -17.364 -14.705 -3.746 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -19.301 -16.152 -3.064 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -18.541 -17.505 -3.878 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -16.482 -17.105 -2.428 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -17.417 -15.923 -1.533 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -19.105 -17.697 -1.001 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -18.114 -18.870 -1.846 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -17.716 -18.932 0.527 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -16.311 -18.430 -0.284 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -17.272 -17.294 0.534 1.00 52.43 H new ATOM 601 N VAL A 40 -20.846 -14.872 -5.440 1.00 63.22 N ATOM 602 CA VAL A 40 -22.075 -14.169 -5.124 1.00 35.24 C ATOM 603 C VAL A 40 -22.914 -14.986 -4.153 1.00 33.00 C ATOM 604 O VAL A 40 -23.450 -16.035 -4.512 1.00 4.22 O ATOM 605 CB VAL A 40 -22.903 -13.877 -6.395 1.00 25.43 C ATOM 606 CG1 VAL A 40 -24.163 -13.094 -6.054 1.00 2.44 C ATOM 607 CG2 VAL A 40 -22.065 -13.125 -7.420 1.00 42.04 C ATOM 0 H VAL A 40 -20.980 -15.756 -5.931 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.801 -13.219 -4.665 1.00 35.24 H new ATOM 0 HB VAL A 40 -23.204 -14.830 -6.830 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.729 -12.901 -6.965 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -24.775 -13.673 -5.363 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.888 -12.147 -5.590 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.666 -12.929 -8.308 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.729 -12.180 -6.993 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -21.199 -13.727 -7.694 1.00 42.04 H new ATOM 617 N ILE A 41 -23.003 -14.524 -2.916 1.00 54.23 N ATOM 618 CA ILE A 41 -23.830 -15.197 -1.928 1.00 33.03 C ATOM 619 C ILE A 41 -25.134 -14.445 -1.733 1.00 40.43 C ATOM 620 O ILE A 41 -25.137 -13.236 -1.516 1.00 0.12 O ATOM 621 CB ILE A 41 -23.107 -15.354 -0.576 1.00 63.32 C ATOM 622 CG1 ILE A 41 -21.898 -16.278 -0.741 1.00 72.31 C ATOM 623 CG2 ILE A 41 -24.059 -15.886 0.490 1.00 50.41 C ATOM 624 CD1 ILE A 41 -21.256 -16.677 0.566 1.00 73.31 C ATOM 0 H ILE A 41 -22.518 -13.694 -2.575 1.00 54.23 H new ATOM 0 HA ILE A 41 -24.039 -16.197 -2.309 1.00 33.03 H new ATOM 0 HB ILE A 41 -22.758 -14.375 -0.247 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -22.209 -17.177 -1.272 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -21.154 -15.781 -1.364 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -23.526 -15.988 1.435 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -24.890 -15.192 0.615 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -24.443 -16.859 0.182 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -20.407 -17.331 0.369 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -20.913 -15.785 1.090 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -21.984 -17.203 1.183 1.00 73.31 H new ATOM 636 N SER A 42 -26.236 -15.166 -1.817 1.00 20.34 N ATOM 637 CA SER A 42 -27.553 -14.565 -1.717 1.00 24.41 C ATOM 638 C SER A 42 -28.580 -15.612 -1.312 1.00 53.10 C ATOM 639 O SER A 42 -28.479 -16.781 -1.704 1.00 71.22 O ATOM 640 CB SER A 42 -27.947 -13.924 -3.053 1.00 15.34 C ATOM 641 OG SER A 42 -29.221 -13.315 -2.976 1.00 44.11 O ATOM 0 H SER A 42 -26.245 -16.177 -1.955 1.00 20.34 H new ATOM 0 HA SER A 42 -27.525 -13.789 -0.952 1.00 24.41 H new ATOM 0 HB2 SER A 42 -27.202 -13.180 -3.335 1.00 15.34 H new ATOM 0 HB3 SER A 42 -27.951 -14.683 -3.835 1.00 15.34 H new ATOM 0 HG SER A 42 -29.445 -12.913 -3.842 1.00 44.11 H new ATOM 647 N SER A 43 -29.577 -15.183 -0.546 1.00 30.43 N ATOM 648 CA SER A 43 -30.621 -16.071 -0.054 1.00 73.12 C ATOM 649 C SER A 43 -31.448 -16.645 -1.202 1.00 23.01 C ATOM 650 O SER A 43 -32.229 -17.571 -1.014 1.00 1.22 O ATOM 651 CB SER A 43 -31.521 -15.307 0.917 1.00 14.53 C ATOM 652 OG SER A 43 -30.751 -14.685 1.936 1.00 21.44 O ATOM 0 H SER A 43 -29.683 -14.213 -0.250 1.00 30.43 H new ATOM 0 HA SER A 43 -30.150 -16.907 0.464 1.00 73.12 H new ATOM 0 HB2 SER A 43 -32.091 -14.553 0.375 1.00 14.53 H new ATOM 0 HB3 SER A 43 -32.242 -15.990 1.366 1.00 14.53 H new ATOM 0 HG SER A 43 -31.346 -14.200 2.546 1.00 21.44 H new ATOM 658 N GLN A 44 -31.264 -16.102 -2.396 1.00 22.21 N ATOM 659 CA GLN A 44 -31.963 -16.595 -3.572 1.00 35.52 C ATOM 660 C GLN A 44 -31.452 -17.981 -3.957 1.00 53.44 C ATOM 661 O GLN A 44 -32.186 -18.789 -4.527 1.00 5.22 O ATOM 662 CB GLN A 44 -31.782 -15.627 -4.745 1.00 53.01 C ATOM 663 CG GLN A 44 -32.185 -14.197 -4.421 1.00 53.14 C ATOM 664 CD GLN A 44 -33.611 -14.088 -3.923 1.00 12.44 C ATOM 665 OE1 GLN A 44 -33.870 -14.182 -2.724 1.00 4.51 O ATOM 666 NE2 GLN A 44 -34.546 -13.890 -4.835 1.00 42.54 N ATOM 0 H GLN A 44 -30.636 -15.319 -2.576 1.00 22.21 H new ATOM 0 HA GLN A 44 -33.024 -16.667 -3.334 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -30.738 -15.640 -5.058 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -32.372 -15.979 -5.591 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -31.509 -13.796 -3.665 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -32.068 -13.581 -5.312 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -34.291 -13.818 -5.820 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -35.523 -13.810 -4.554 1.00 42.54 H new ATOM 675 N PHE A 45 -30.202 -18.265 -3.613 1.00 2.34 N ATOM 676 CA PHE A 45 -29.566 -19.511 -4.021 1.00 54.05 C ATOM 677 C PHE A 45 -29.807 -20.634 -3.020 1.00 52.21 C ATOM 678 O PHE A 45 -29.535 -21.799 -3.313 1.00 54.32 O ATOM 679 CB PHE A 45 -28.065 -19.307 -4.232 1.00 21.10 C ATOM 680 CG PHE A 45 -27.741 -18.579 -5.502 1.00 62.12 C ATOM 681 CD1 PHE A 45 -27.628 -19.275 -6.694 1.00 10.23 C ATOM 682 CD2 PHE A 45 -27.553 -17.206 -5.509 1.00 52.02 C ATOM 683 CE1 PHE A 45 -27.334 -18.620 -7.871 1.00 25.21 C ATOM 684 CE2 PHE A 45 -27.257 -16.542 -6.686 1.00 22.14 C ATOM 685 CZ PHE A 45 -27.148 -17.251 -7.868 1.00 32.51 C ATOM 0 H PHE A 45 -29.610 -17.651 -3.054 1.00 2.34 H new ATOM 0 HA PHE A 45 -30.023 -19.808 -4.965 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -27.658 -18.750 -3.388 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -27.571 -20.278 -4.241 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -27.772 -20.345 -6.702 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -27.638 -16.649 -4.587 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -27.249 -19.176 -8.793 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -27.111 -15.472 -6.682 1.00 22.14 H new ATOM 0 HZ PHE A 45 -26.918 -16.735 -8.788 1.00 32.51 H new ATOM 695 N GLN A 46 -30.346 -20.294 -1.854 1.00 72.45 N ATOM 696 CA GLN A 46 -30.593 -21.287 -0.812 1.00 75.13 C ATOM 697 C GLN A 46 -31.631 -22.306 -1.285 1.00 33.34 C ATOM 698 O GLN A 46 -32.539 -21.970 -2.050 1.00 13.13 O ATOM 699 CB GLN A 46 -31.054 -20.627 0.496 1.00 64.41 C ATOM 700 CG GLN A 46 -32.487 -20.116 0.468 1.00 21.44 C ATOM 701 CD GLN A 46 -32.924 -19.514 1.791 1.00 44.02 C ATOM 702 OE1 GLN A 46 -33.757 -18.607 1.828 1.00 34.13 O ATOM 703 NE2 GLN A 46 -32.367 -20.011 2.883 1.00 64.01 N ATOM 0 H GLN A 46 -30.620 -19.343 -1.606 1.00 72.45 H new ATOM 0 HA GLN A 46 -29.653 -21.802 -0.613 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -30.953 -21.347 1.308 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -30.388 -19.795 0.724 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -32.585 -19.366 -0.317 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -33.156 -20.937 0.209 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -31.681 -20.762 2.809 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -32.624 -19.643 3.799 1.00 64.01 H new ATOM 712 N GLY A 47 -31.451 -23.559 -0.890 1.00 61.23 N ATOM 713 CA GLY A 47 -32.412 -24.589 -1.232 1.00 30.52 C ATOM 714 C GLY A 47 -32.041 -25.322 -2.501 1.00 5.25 C ATOM 715 O GLY A 47 -32.436 -26.469 -2.705 1.00 33.03 O ATOM 0 H GLY A 47 -30.656 -23.881 -0.338 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -32.484 -25.302 -0.411 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -33.397 -24.138 -1.350 1.00 30.52 H new ATOM 719 N LYS A 48 -31.270 -24.667 -3.354 1.00 74.22 N ATOM 720 CA LYS A 48 -30.860 -25.262 -4.614 1.00 25.13 C ATOM 721 C LYS A 48 -29.516 -25.954 -4.456 1.00 55.24 C ATOM 722 O LYS A 48 -28.581 -25.399 -3.878 1.00 42.13 O ATOM 723 CB LYS A 48 -30.802 -24.210 -5.725 1.00 2.30 C ATOM 724 CG LYS A 48 -32.113 -24.048 -6.493 1.00 31.41 C ATOM 725 CD LYS A 48 -33.293 -23.702 -5.588 1.00 43.32 C ATOM 726 CE LYS A 48 -33.545 -22.198 -5.496 1.00 50.32 C ATOM 727 NZ LYS A 48 -32.429 -21.468 -4.840 1.00 10.22 N ATOM 0 H LYS A 48 -30.916 -23.724 -3.196 1.00 74.22 H new ATOM 0 HA LYS A 48 -31.603 -26.007 -4.899 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -30.527 -23.250 -5.289 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -30.012 -24.480 -6.426 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -31.995 -23.265 -7.243 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -32.331 -24.972 -7.029 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -34.190 -24.194 -5.964 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -33.107 -24.097 -4.589 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -33.696 -21.797 -6.498 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -34.466 -22.021 -4.940 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -32.688 -20.467 -4.727 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -32.243 -21.885 -3.905 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -31.574 -21.541 -5.427 1.00 10.22 H new ATOM 741 N SER A 49 -29.441 -27.167 -4.972 1.00 13.41 N ATOM 742 CA SER A 49 -28.268 -28.015 -4.812 1.00 51.51 C ATOM 743 C SER A 49 -27.094 -27.501 -5.641 1.00 12.24 C ATOM 744 O SER A 49 -27.274 -26.677 -6.543 1.00 74.40 O ATOM 745 CB SER A 49 -28.617 -29.441 -5.233 1.00 73.24 C ATOM 746 OG SER A 49 -29.847 -29.855 -4.660 1.00 23.44 O ATOM 0 H SER A 49 -30.191 -27.595 -5.515 1.00 13.41 H new ATOM 0 HA SER A 49 -27.969 -27.998 -3.764 1.00 51.51 H new ATOM 0 HB2 SER A 49 -28.681 -29.498 -6.320 1.00 73.24 H new ATOM 0 HB3 SER A 49 -27.822 -30.120 -4.925 1.00 73.24 H new ATOM 0 HG SER A 49 -30.049 -30.770 -4.946 1.00 23.44 H new ATOM 752 N LYS A 50 -25.898 -28.006 -5.341 1.00 4.42 N ATOM 753 CA LYS A 50 -24.688 -27.618 -6.062 1.00 71.43 C ATOM 754 C LYS A 50 -24.851 -27.846 -7.555 1.00 23.45 C ATOM 755 O LYS A 50 -24.424 -27.027 -8.369 1.00 32.41 O ATOM 756 CB LYS A 50 -23.477 -28.403 -5.559 1.00 4.10 C ATOM 757 CG LYS A 50 -23.107 -28.108 -4.116 1.00 64.11 C ATOM 758 CD LYS A 50 -21.821 -28.814 -3.716 1.00 23.40 C ATOM 759 CE LYS A 50 -20.643 -28.313 -4.533 1.00 14.31 C ATOM 760 NZ LYS A 50 -19.371 -28.977 -4.152 1.00 52.11 N ATOM 0 H LYS A 50 -25.742 -28.688 -4.599 1.00 4.42 H new ATOM 0 HA LYS A 50 -24.524 -26.556 -5.879 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -23.680 -29.469 -5.661 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -22.621 -28.179 -6.196 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -22.990 -27.033 -3.982 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -23.917 -28.425 -3.459 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -21.628 -28.650 -2.656 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -21.934 -29.889 -3.857 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -20.838 -28.486 -5.591 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -20.543 -27.236 -4.399 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -18.568 -28.404 -4.482 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -19.326 -29.073 -3.117 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -19.327 -29.920 -4.589 1.00 52.11 H new ATOM 774 N LEU A 51 -25.475 -28.964 -7.906 1.00 35.35 N ATOM 775 CA LEU A 51 -25.721 -29.297 -9.303 1.00 23.42 C ATOM 776 C LEU A 51 -26.474 -28.163 -9.989 1.00 5.20 C ATOM 777 O LEU A 51 -26.071 -27.686 -11.052 1.00 63.51 O ATOM 778 CB LEU A 51 -26.533 -30.596 -9.429 1.00 12.31 C ATOM 779 CG LEU A 51 -25.822 -31.894 -9.023 1.00 32.31 C ATOM 780 CD1 LEU A 51 -24.485 -32.018 -9.733 1.00 43.12 C ATOM 781 CD2 LEU A 51 -25.649 -31.985 -7.513 1.00 32.51 C ATOM 0 H LEU A 51 -25.820 -29.656 -7.241 1.00 35.35 H new ATOM 0 HA LEU A 51 -24.755 -29.441 -9.786 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -27.432 -30.496 -8.821 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -26.858 -30.695 -10.465 1.00 12.31 H new ATOM 0 HG LEU A 51 -26.451 -32.729 -9.331 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -23.997 -32.945 -9.431 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -24.645 -32.027 -10.811 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -23.852 -31.172 -9.467 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -25.142 -32.916 -7.260 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -25.054 -31.141 -7.163 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -26.627 -31.962 -7.033 1.00 32.51 H new ATOM 793 N GLU A 52 -27.557 -27.721 -9.354 1.00 71.20 N ATOM 794 CA GLU A 52 -28.373 -26.635 -9.882 1.00 3.31 C ATOM 795 C GLU A 52 -27.576 -25.341 -9.942 1.00 30.12 C ATOM 796 O GLU A 52 -27.663 -24.600 -10.916 1.00 1.51 O ATOM 797 CB GLU A 52 -29.626 -26.428 -9.028 1.00 30.33 C ATOM 798 CG GLU A 52 -30.518 -27.654 -8.944 1.00 23.32 C ATOM 799 CD GLU A 52 -30.867 -28.211 -10.309 1.00 25.24 C ATOM 800 OE1 GLU A 52 -31.666 -27.582 -11.034 1.00 61.13 O ATOM 801 OE2 GLU A 52 -30.339 -29.283 -10.662 1.00 33.02 O ATOM 0 H GLU A 52 -27.890 -28.102 -8.468 1.00 71.20 H new ATOM 0 HA GLU A 52 -28.677 -26.911 -10.892 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -29.325 -26.139 -8.021 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -30.202 -25.598 -9.439 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -30.017 -28.424 -8.358 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -31.435 -27.397 -8.415 1.00 23.32 H new ATOM 808 N GLN A 53 -26.790 -25.086 -8.901 1.00 12.11 N ATOM 809 CA GLN A 53 -25.975 -23.877 -8.830 1.00 42.34 C ATOM 810 C GLN A 53 -25.046 -23.768 -10.036 1.00 43.01 C ATOM 811 O GLN A 53 -25.002 -22.735 -10.704 1.00 50.30 O ATOM 812 CB GLN A 53 -25.147 -23.883 -7.544 1.00 43.04 C ATOM 813 CG GLN A 53 -25.980 -23.796 -6.274 1.00 62.32 C ATOM 814 CD GLN A 53 -25.181 -24.167 -5.038 1.00 34.52 C ATOM 815 OE1 GLN A 53 -23.965 -23.998 -4.995 1.00 70.33 O ATOM 816 NE2 GLN A 53 -25.857 -24.682 -4.023 1.00 33.33 N ATOM 0 H GLN A 53 -26.700 -25.702 -8.093 1.00 12.11 H new ATOM 0 HA GLN A 53 -26.644 -23.017 -8.832 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -24.549 -24.794 -7.513 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -24.450 -23.045 -7.568 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -26.367 -22.783 -6.164 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -26.841 -24.459 -6.360 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -26.867 -24.808 -4.094 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -25.368 -24.953 -3.170 1.00 33.33 H new ATOM 825 N HIS A 54 -24.355 -24.858 -10.353 1.00 11.40 N ATOM 826 CA HIS A 54 -23.400 -24.851 -11.459 1.00 50.22 C ATOM 827 C HIS A 54 -24.139 -24.814 -12.787 1.00 75.33 C ATOM 828 O HIS A 54 -23.698 -24.168 -13.735 1.00 22.05 O ATOM 829 CB HIS A 54 -22.469 -26.069 -11.401 1.00 60.03 C ATOM 830 CG HIS A 54 -21.753 -26.218 -10.093 1.00 0.23 C ATOM 831 ND1 HIS A 54 -21.815 -27.365 -9.345 1.00 44.12 N ATOM 832 CD2 HIS A 54 -20.974 -25.357 -9.391 1.00 72.31 C ATOM 833 CE1 HIS A 54 -21.123 -27.210 -8.238 1.00 21.24 C ATOM 834 NE2 HIS A 54 -20.594 -26.001 -8.238 1.00 73.11 N ATOM 0 H HIS A 54 -24.436 -25.750 -9.866 1.00 11.40 H new ATOM 0 HA HIS A 54 -22.784 -23.956 -11.368 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -23.052 -26.970 -11.591 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -21.733 -25.991 -12.201 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -20.703 -24.353 -9.684 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -21.007 -27.949 -7.459 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -20.002 -25.610 -7.505 1.00 73.11 H new ATOM 843 N ARG A 55 -25.270 -25.504 -12.842 1.00 60.31 N ATOM 844 CA ARG A 55 -26.124 -25.484 -14.020 1.00 40.14 C ATOM 845 C ARG A 55 -26.606 -24.066 -14.307 1.00 43.34 C ATOM 846 O ARG A 55 -26.570 -23.607 -15.451 1.00 3.25 O ATOM 847 CB ARG A 55 -27.311 -26.430 -13.825 1.00 52.11 C ATOM 848 CG ARG A 55 -27.125 -27.780 -14.502 1.00 35.13 C ATOM 849 CD ARG A 55 -27.833 -28.907 -13.758 1.00 61.41 C ATOM 850 NE ARG A 55 -29.196 -28.561 -13.362 1.00 74.14 N ATOM 851 CZ ARG A 55 -30.291 -28.915 -14.032 1.00 14.23 C ATOM 852 NH1 ARG A 55 -30.201 -29.595 -15.172 1.00 74.13 N ATOM 853 NH2 ARG A 55 -31.485 -28.599 -13.555 1.00 52.14 N ATOM 0 H ARG A 55 -25.618 -26.087 -12.081 1.00 60.31 H new ATOM 0 HA ARG A 55 -25.545 -25.826 -14.878 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -27.471 -26.586 -12.758 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -28.212 -25.957 -14.216 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -27.505 -27.727 -15.522 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -26.061 -28.006 -14.570 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -27.859 -29.794 -14.392 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -27.257 -29.167 -12.870 1.00 61.41 H new ATOM 0 HE ARG A 55 -29.317 -28.009 -12.513 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -29.286 -29.851 -15.542 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -31.047 -29.860 -15.676 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -31.564 -28.086 -12.677 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -32.326 -28.869 -14.066 1.00 52.14 H new ATOM 867 N MET A 56 -27.032 -23.369 -13.257 1.00 5.13 N ATOM 868 CA MET A 56 -27.452 -21.984 -13.386 1.00 13.24 C ATOM 869 C MET A 56 -26.294 -21.123 -13.866 1.00 73.24 C ATOM 870 O MET A 56 -26.471 -20.280 -14.740 1.00 12.14 O ATOM 871 CB MET A 56 -28.003 -21.444 -12.063 1.00 12.34 C ATOM 872 CG MET A 56 -29.333 -22.066 -11.654 1.00 75.15 C ATOM 873 SD MET A 56 -29.991 -21.382 -10.119 1.00 61.02 S ATOM 874 CE MET A 56 -28.716 -21.862 -8.958 1.00 11.14 C ATOM 0 H MET A 56 -27.094 -23.743 -12.310 1.00 5.13 H new ATOM 0 HA MET A 56 -28.253 -21.944 -14.124 1.00 13.24 H new ATOM 0 HB2 MET A 56 -27.271 -21.622 -11.275 1.00 12.34 H new ATOM 0 HB3 MET A 56 -28.127 -20.364 -12.145 1.00 12.34 H new ATOM 0 HG2 MET A 56 -30.059 -21.915 -12.453 1.00 75.15 H new ATOM 0 HG3 MET A 56 -29.204 -23.142 -11.540 1.00 75.15 H new ATOM 0 HE1 MET A 56 -28.980 -21.509 -7.961 1.00 11.14 H new ATOM 0 HE2 MET A 56 -28.625 -22.948 -8.946 1.00 11.14 H new ATOM 0 HE3 MET A 56 -27.766 -21.421 -9.259 1.00 11.14 H new ATOM 884 N ILE A 57 -25.107 -21.353 -13.309 1.00 55.45 N ATOM 885 CA ILE A 57 -23.907 -20.640 -13.746 1.00 13.21 C ATOM 886 C ILE A 57 -23.699 -20.802 -15.250 1.00 34.43 C ATOM 887 O ILE A 57 -23.580 -19.816 -15.976 1.00 62.10 O ATOM 888 CB ILE A 57 -22.641 -21.139 -13.012 1.00 42.03 C ATOM 889 CG1 ILE A 57 -22.765 -20.888 -11.506 1.00 2.03 C ATOM 890 CG2 ILE A 57 -21.395 -20.452 -13.570 1.00 32.31 C ATOM 891 CD1 ILE A 57 -21.639 -21.490 -10.690 1.00 2.10 C ATOM 0 H ILE A 57 -24.950 -22.024 -12.557 1.00 55.45 H new ATOM 0 HA ILE A 57 -24.061 -19.589 -13.503 1.00 13.21 H new ATOM 0 HB ILE A 57 -22.544 -22.212 -13.176 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -22.796 -19.813 -11.328 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -23.713 -21.296 -11.156 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -20.513 -20.814 -13.043 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -21.301 -20.677 -14.632 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -21.482 -19.374 -13.434 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -21.797 -21.270 -9.634 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -21.620 -22.570 -10.837 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -20.689 -21.064 -11.011 1.00 2.10 H new ATOM 903 N TYR A 58 -23.686 -22.048 -15.712 1.00 15.22 N ATOM 904 CA TYR A 58 -23.441 -22.338 -17.119 1.00 4.35 C ATOM 905 C TYR A 58 -24.521 -21.726 -18.007 1.00 73.40 C ATOM 906 O TYR A 58 -24.233 -21.262 -19.111 1.00 43.54 O ATOM 907 CB TYR A 58 -23.367 -23.849 -17.363 1.00 3.41 C ATOM 908 CG TYR A 58 -22.273 -24.551 -16.590 1.00 74.31 C ATOM 909 CD1 TYR A 58 -21.032 -23.955 -16.396 1.00 21.34 C ATOM 910 CD2 TYR A 58 -22.481 -25.819 -16.058 1.00 0.24 C ATOM 911 CE1 TYR A 58 -20.032 -24.601 -15.692 1.00 75.23 C ATOM 912 CE2 TYR A 58 -21.487 -26.470 -15.355 1.00 44.13 C ATOM 913 CZ TYR A 58 -20.266 -25.859 -15.173 1.00 54.23 C ATOM 914 OH TYR A 58 -19.276 -26.510 -14.474 1.00 40.03 O ATOM 0 H TYR A 58 -23.842 -22.873 -15.132 1.00 15.22 H new ATOM 0 HA TYR A 58 -22.482 -21.890 -17.379 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -24.326 -24.295 -17.099 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -23.215 -24.026 -18.428 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -20.846 -22.972 -16.802 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -23.437 -26.303 -16.197 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -19.074 -24.124 -15.549 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -21.666 -27.455 -14.949 1.00 44.13 H new ATOM 0 HH TYR A 58 -19.606 -27.384 -14.177 1.00 40.03 H new ATOM 924 N LYS A 59 -25.761 -21.725 -17.531 1.00 73.42 N ATOM 925 CA LYS A 59 -26.860 -21.179 -18.318 1.00 51.11 C ATOM 926 C LYS A 59 -26.882 -19.650 -18.292 1.00 44.10 C ATOM 927 O LYS A 59 -27.204 -19.022 -19.298 1.00 22.41 O ATOM 928 CB LYS A 59 -28.203 -21.739 -17.846 1.00 13.12 C ATOM 929 CG LYS A 59 -28.363 -23.224 -18.134 1.00 73.15 C ATOM 930 CD LYS A 59 -29.804 -23.684 -17.976 1.00 61.04 C ATOM 931 CE LYS A 59 -30.736 -22.989 -18.965 1.00 2.45 C ATOM 932 NZ LYS A 59 -30.252 -23.088 -20.370 1.00 73.34 N ATOM 0 H LYS A 59 -26.028 -22.091 -16.617 1.00 73.42 H new ATOM 0 HA LYS A 59 -26.695 -21.488 -19.350 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -28.304 -21.570 -16.774 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -29.010 -21.191 -18.333 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -28.024 -23.435 -19.148 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -27.724 -23.795 -17.460 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -29.859 -24.763 -18.123 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -30.140 -23.483 -16.959 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -31.730 -23.431 -18.894 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -30.834 -21.939 -18.691 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -31.000 -22.770 -21.018 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -29.411 -22.488 -20.491 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -30.006 -24.076 -20.584 1.00 73.34 H new ATOM 946 N VAL A 60 -26.537 -19.058 -17.154 1.00 40.42 N ATOM 947 CA VAL A 60 -26.501 -17.601 -17.034 1.00 13.04 C ATOM 948 C VAL A 60 -25.298 -17.027 -17.777 1.00 62.12 C ATOM 949 O VAL A 60 -25.407 -16.005 -18.454 1.00 21.20 O ATOM 950 CB VAL A 60 -26.471 -17.140 -15.556 1.00 40.25 C ATOM 951 CG1 VAL A 60 -26.229 -15.640 -15.456 1.00 54.03 C ATOM 952 CG2 VAL A 60 -27.771 -17.510 -14.858 1.00 74.32 C ATOM 0 H VAL A 60 -26.279 -19.559 -16.304 1.00 40.42 H new ATOM 0 HA VAL A 60 -27.418 -17.223 -17.486 1.00 13.04 H new ATOM 0 HB VAL A 60 -25.646 -17.652 -15.060 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -26.213 -15.343 -14.407 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -25.273 -15.394 -15.918 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -27.028 -15.107 -15.971 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -27.734 -17.179 -13.820 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -28.606 -17.025 -15.364 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -27.906 -18.591 -14.889 1.00 74.32 H new ATOM 962 N LEU A 61 -24.154 -17.688 -17.653 1.00 32.20 N ATOM 963 CA LEU A 61 -22.950 -17.260 -18.356 1.00 23.13 C ATOM 964 C LEU A 61 -23.103 -17.484 -19.853 1.00 43.05 C ATOM 965 O LEU A 61 -22.533 -16.749 -20.661 1.00 70.44 O ATOM 966 CB LEU A 61 -21.721 -18.014 -17.833 1.00 21.35 C ATOM 967 CG LEU A 61 -21.296 -17.666 -16.407 1.00 63.31 C ATOM 968 CD1 LEU A 61 -20.032 -18.425 -16.038 1.00 14.42 C ATOM 969 CD2 LEU A 61 -21.076 -16.168 -16.264 1.00 52.20 C ATOM 0 H LEU A 61 -24.034 -18.520 -17.075 1.00 32.20 H new ATOM 0 HA LEU A 61 -22.807 -16.195 -18.172 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -21.924 -19.084 -17.883 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -20.883 -17.817 -18.502 1.00 21.35 H new ATOM 0 HG LEU A 61 -22.094 -17.961 -15.725 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -19.738 -18.169 -15.020 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -20.219 -19.497 -16.103 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -19.231 -18.154 -16.726 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -20.774 -15.941 -15.242 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -20.295 -15.848 -16.953 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -22.002 -15.641 -16.495 1.00 52.20 H new ATOM 981 N ASP A 62 -23.890 -18.500 -20.201 1.00 51.31 N ATOM 982 CA ASP A 62 -24.164 -18.861 -21.590 1.00 11.45 C ATOM 983 C ASP A 62 -22.867 -19.181 -22.330 1.00 35.13 C ATOM 984 O ASP A 62 -22.336 -18.364 -23.085 1.00 45.22 O ATOM 985 CB ASP A 62 -24.948 -17.754 -22.313 1.00 14.42 C ATOM 986 CG ASP A 62 -25.497 -18.209 -23.653 1.00 30.25 C ATOM 987 OD1 ASP A 62 -26.583 -18.827 -23.679 1.00 64.21 O ATOM 988 OD2 ASP A 62 -24.860 -17.941 -24.693 1.00 3.33 O ATOM 0 H ASP A 62 -24.359 -19.100 -19.522 1.00 51.31 H new ATOM 0 HA ASP A 62 -24.786 -19.756 -21.585 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -25.772 -17.424 -21.680 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -24.298 -16.893 -22.464 1.00 14.42 H new ATOM 993 N GLY A 63 -22.341 -20.363 -22.066 1.00 4.15 N ATOM 994 CA GLY A 63 -21.119 -20.798 -22.688 1.00 43.43 C ATOM 995 C GLY A 63 -20.515 -21.946 -21.920 1.00 33.13 C ATOM 996 O GLY A 63 -21.226 -22.672 -21.226 1.00 43.24 O ATOM 0 H GLY A 63 -22.750 -21.038 -21.420 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -21.316 -21.104 -23.716 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -20.412 -19.970 -22.732 1.00 43.43 H new ATOM 1000 N LEU A 64 -19.214 -22.109 -22.034 1.00 51.34 N ATOM 1001 CA LEU A 64 -18.513 -23.162 -21.320 1.00 3.45 C ATOM 1002 C LEU A 64 -17.632 -22.565 -20.231 1.00 42.35 C ATOM 1003 O LEU A 64 -18.016 -22.538 -19.062 1.00 0.34 O ATOM 1004 CB LEU A 64 -17.658 -24.017 -22.273 1.00 54.54 C ATOM 1005 CG LEU A 64 -18.421 -24.988 -23.188 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -19.400 -25.829 -22.383 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -19.145 -24.245 -24.303 1.00 63.23 C ATOM 0 H LEU A 64 -18.615 -21.524 -22.617 1.00 51.34 H new ATOM 0 HA LEU A 64 -19.263 -23.809 -20.865 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -17.071 -23.346 -22.900 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -16.952 -24.594 -21.675 1.00 54.54 H new ATOM 0 HG LEU A 64 -17.690 -25.653 -23.649 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -19.929 -26.509 -23.050 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -18.855 -26.405 -21.635 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -20.118 -25.176 -21.886 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -19.675 -24.960 -24.932 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -19.859 -23.544 -23.870 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -18.420 -23.698 -24.906 1.00 63.23 H new ATOM 1019 N ASN A 65 -16.455 -22.075 -20.634 1.00 64.21 N ATOM 1020 CA ASN A 65 -15.471 -21.518 -19.700 1.00 60.20 C ATOM 1021 C ASN A 65 -15.159 -22.510 -18.582 1.00 64.31 C ATOM 1022 O ASN A 65 -14.750 -22.121 -17.493 1.00 34.35 O ATOM 1023 CB ASN A 65 -15.971 -20.193 -19.105 1.00 11.43 C ATOM 1024 CG ASN A 65 -15.931 -19.040 -20.096 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -16.046 -19.234 -21.307 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -15.768 -17.827 -19.587 1.00 54.41 N ATOM 0 H ASN A 65 -16.159 -22.053 -21.610 1.00 64.21 H new ATOM 0 HA ASN A 65 -14.555 -21.325 -20.258 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -16.993 -20.324 -18.750 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -15.363 -19.939 -18.237 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -15.734 -17.015 -20.204 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -15.676 -17.705 -18.578 1.00 54.41 H new ATOM 1033 N ILE A 66 -15.292 -23.798 -18.891 1.00 12.30 N ATOM 1034 CA ILE A 66 -15.228 -24.857 -17.885 1.00 41.44 C ATOM 1035 C ILE A 66 -13.799 -25.078 -17.368 1.00 2.50 C ATOM 1036 O ILE A 66 -13.569 -25.875 -16.459 1.00 31.11 O ATOM 1037 CB ILE A 66 -15.805 -26.180 -18.452 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -16.011 -27.208 -17.335 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -14.891 -26.739 -19.536 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -16.665 -28.493 -17.795 1.00 65.41 C ATOM 0 H ILE A 66 -15.446 -24.136 -19.841 1.00 12.30 H new ATOM 0 HA ILE A 66 -15.835 -24.535 -17.039 1.00 41.44 H new ATOM 0 HB ILE A 66 -16.777 -25.966 -18.897 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -15.045 -27.443 -16.889 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -16.623 -26.761 -16.552 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -15.311 -27.667 -19.923 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -14.803 -26.015 -20.346 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -13.905 -26.935 -19.115 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -16.776 -29.169 -16.947 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -17.647 -28.272 -18.214 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -16.044 -28.965 -18.556 1.00 65.41 H new ATOM 1052 N HIS A 67 -12.840 -24.356 -17.932 1.00 15.31 N ATOM 1053 CA HIS A 67 -11.452 -24.458 -17.486 1.00 41.12 C ATOM 1054 C HIS A 67 -11.238 -23.596 -16.239 1.00 13.15 C ATOM 1055 O HIS A 67 -10.151 -23.562 -15.665 1.00 11.25 O ATOM 1056 CB HIS A 67 -10.501 -24.036 -18.612 1.00 61.24 C ATOM 1057 CG HIS A 67 -9.058 -24.351 -18.351 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -8.552 -25.631 -18.362 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -8.009 -23.538 -18.086 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -7.256 -25.592 -18.114 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -6.898 -24.333 -17.943 1.00 5.34 N ATOM 0 H HIS A 67 -12.993 -23.696 -18.695 1.00 15.31 H new ATOM 0 HA HIS A 67 -11.235 -25.495 -17.229 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -10.807 -24.529 -19.535 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -10.603 -22.963 -18.775 1.00 61.24 H new ATOM 0 HD2 HIS A 67 -8.040 -22.462 -18.002 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -6.599 -26.447 -18.060 1.00 43.30 H new ATOM 0 HE2 HIS A 67 -5.954 -24.005 -17.739 1.00 5.34 H new ATOM 1070 N ALA A 68 -12.293 -22.905 -15.829 1.00 1.04 N ATOM 1071 CA ALA A 68 -12.267 -22.083 -14.635 1.00 21.21 C ATOM 1072 C ALA A 68 -13.685 -21.882 -14.121 1.00 64.03 C ATOM 1073 O ALA A 68 -14.642 -22.349 -14.734 1.00 11.40 O ATOM 1074 CB ALA A 68 -11.609 -20.739 -14.920 1.00 11.23 C ATOM 0 H ALA A 68 -13.189 -22.901 -16.317 1.00 1.04 H new ATOM 0 HA ALA A 68 -11.679 -22.591 -13.871 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -11.600 -20.138 -14.011 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -10.586 -20.900 -15.259 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -12.170 -20.216 -15.695 1.00 11.23 H new ATOM 1080 N ILE A 69 -13.822 -21.200 -13.000 1.00 52.42 N ATOM 1081 CA ILE A 69 -15.135 -20.882 -12.466 1.00 0.05 C ATOM 1082 C ILE A 69 -15.326 -19.373 -12.458 1.00 34.51 C ATOM 1083 O ILE A 69 -14.789 -18.681 -11.601 1.00 0.24 O ATOM 1084 CB ILE A 69 -15.330 -21.448 -11.041 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -15.089 -22.961 -11.036 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -16.726 -21.133 -10.528 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -15.277 -23.608 -9.681 1.00 43.35 C ATOM 0 H ILE A 69 -13.042 -20.855 -12.441 1.00 52.42 H new ATOM 0 HA ILE A 69 -15.883 -21.349 -13.108 1.00 0.05 H new ATOM 0 HB ILE A 69 -14.606 -20.975 -10.378 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -15.768 -23.429 -11.749 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -14.075 -23.159 -11.384 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -16.845 -21.539 -9.524 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -16.869 -20.053 -10.502 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -17.467 -21.581 -11.190 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -15.089 -24.679 -9.760 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -14.579 -23.168 -8.968 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -16.298 -23.444 -9.338 1.00 43.35 H new ATOM 1099 N GLN A 70 -16.069 -18.869 -13.434 1.00 62.22 N ATOM 1100 CA GLN A 70 -16.241 -17.431 -13.599 1.00 45.13 C ATOM 1101 C GLN A 70 -17.008 -16.831 -12.424 1.00 54.23 C ATOM 1102 O GLN A 70 -16.603 -15.812 -11.861 1.00 20.23 O ATOM 1103 CB GLN A 70 -16.959 -17.129 -14.915 1.00 3.32 C ATOM 1104 CG GLN A 70 -16.969 -15.654 -15.279 1.00 45.50 C ATOM 1105 CD GLN A 70 -15.569 -15.086 -15.436 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -14.992 -15.121 -16.522 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -15.015 -14.561 -14.355 1.00 43.43 N ATOM 0 H GLN A 70 -16.563 -19.435 -14.124 1.00 62.22 H new ATOM 0 HA GLN A 70 -15.252 -16.973 -13.625 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -16.479 -17.689 -15.718 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -17.987 -17.485 -14.848 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -17.520 -15.516 -16.209 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -17.500 -15.096 -14.508 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -15.527 -14.551 -13.473 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -14.076 -14.166 -14.404 1.00 43.43 H new ATOM 1116 N ILE A 71 -18.114 -17.460 -12.053 1.00 33.52 N ATOM 1117 CA ILE A 71 -18.897 -17.000 -10.919 1.00 32.34 C ATOM 1118 C ILE A 71 -19.042 -18.127 -9.904 1.00 21.45 C ATOM 1119 O ILE A 71 -19.206 -19.287 -10.279 1.00 21.34 O ATOM 1120 CB ILE A 71 -20.304 -16.477 -11.332 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -21.273 -17.626 -11.613 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -20.197 -15.592 -12.563 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -22.697 -17.173 -11.879 1.00 61.50 C ATOM 0 H ILE A 71 -18.487 -18.287 -12.520 1.00 33.52 H new ATOM 0 HA ILE A 71 -18.361 -16.160 -10.477 1.00 32.34 H new ATOM 0 HB ILE A 71 -20.695 -15.897 -10.496 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -20.914 -18.190 -12.474 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -21.271 -18.307 -10.762 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -21.188 -15.233 -12.841 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -19.551 -14.741 -12.345 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -19.775 -16.166 -13.388 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -23.326 -18.043 -12.070 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -23.076 -16.635 -11.010 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -22.713 -16.516 -12.748 1.00 61.50 H new ATOM 1135 N GLN A 72 -18.941 -17.792 -8.629 1.00 4.42 N ATOM 1136 CA GLN A 72 -19.101 -18.782 -7.577 1.00 11.31 C ATOM 1137 C GLN A 72 -20.350 -18.467 -6.773 1.00 41.51 C ATOM 1138 O GLN A 72 -20.383 -17.497 -6.020 1.00 30.42 O ATOM 1139 CB GLN A 72 -17.878 -18.803 -6.653 1.00 73.05 C ATOM 1140 CG GLN A 72 -16.562 -19.036 -7.379 1.00 75.12 C ATOM 1141 CD GLN A 72 -15.392 -19.200 -6.428 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -15.054 -20.311 -6.021 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -14.771 -18.091 -6.053 1.00 23.21 N ATOM 0 H GLN A 72 -18.750 -16.846 -8.298 1.00 4.42 H new ATOM 0 HA GLN A 72 -19.197 -19.766 -8.036 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -17.823 -17.855 -6.117 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -18.013 -19.585 -5.905 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -16.647 -19.927 -8.001 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -16.367 -18.198 -8.048 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -15.080 -17.187 -6.412 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -13.984 -18.141 -5.406 1.00 23.21 H new ATOM 1152 N THR A 73 -21.375 -19.278 -6.937 1.00 51.10 N ATOM 1153 CA THR A 73 -22.635 -19.045 -6.261 1.00 71.51 C ATOM 1154 C THR A 73 -22.984 -20.214 -5.360 1.00 31.34 C ATOM 1155 O THR A 73 -23.117 -21.345 -5.828 1.00 0.24 O ATOM 1156 CB THR A 73 -23.770 -18.821 -7.278 1.00 1.24 C ATOM 1157 OG1 THR A 73 -23.817 -19.914 -8.203 1.00 14.45 O ATOM 1158 CG2 THR A 73 -23.568 -17.519 -8.036 1.00 60.22 C ATOM 0 H THR A 73 -21.360 -20.105 -7.533 1.00 51.10 H new ATOM 0 HA THR A 73 -22.524 -18.147 -5.653 1.00 71.51 H new ATOM 0 HB THR A 73 -24.712 -18.763 -6.733 1.00 1.24 H new ATOM 0 HG1 THR A 73 -23.633 -20.752 -7.729 1.00 14.45 H new ATOM 0 HG21 THR A 73 -24.382 -17.383 -8.748 1.00 60.22 H new ATOM 0 HG22 THR A 73 -23.558 -16.686 -7.333 1.00 60.22 H new ATOM 0 HG23 THR A 73 -22.619 -17.553 -8.571 1.00 60.22 H new ATOM 1166 N GLY A 74 -23.118 -19.939 -4.073 1.00 12.20 N ATOM 1167 CA GLY A 74 -23.496 -20.970 -3.128 1.00 10.41 C ATOM 1168 C GLY A 74 -22.315 -21.795 -2.659 1.00 15.25 C ATOM 1169 O GLY A 74 -21.762 -21.537 -1.590 1.00 44.31 O ATOM 0 H GLY A 74 -22.971 -19.016 -3.663 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -23.977 -20.508 -2.266 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -24.233 -21.627 -3.589 1.00 10.41 H new ATOM 1173 N CYS A 75 -21.926 -22.785 -3.450 1.00 41.31 N ATOM 1174 CA CYS A 75 -20.859 -23.695 -3.058 1.00 31.41 C ATOM 1175 C CYS A 75 -19.863 -23.920 -4.193 1.00 22.14 C ATOM 1176 O CYS A 75 -20.139 -23.607 -5.351 1.00 42.21 O ATOM 1177 CB CYS A 75 -21.454 -25.031 -2.615 1.00 54.21 C ATOM 1178 SG CYS A 75 -22.619 -24.888 -1.239 1.00 1.04 S ATOM 0 H CYS A 75 -22.332 -22.978 -4.365 1.00 41.31 H new ATOM 0 HA CYS A 75 -20.319 -23.239 -2.228 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -21.961 -25.491 -3.463 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -20.644 -25.701 -2.326 1.00 54.21 H new ATOM 0 HG CYS A 75 -23.074 -26.066 -0.932 1.00 1.04 H new ATOM 1184 N LYS A 76 -18.708 -24.467 -3.836 1.00 72.44 N ATOM 1185 CA LYS A 76 -17.651 -24.767 -4.790 1.00 24.13 C ATOM 1186 C LYS A 76 -17.966 -26.050 -5.557 1.00 65.44 C ATOM 1187 O LYS A 76 -17.738 -27.146 -5.007 1.00 51.21 O ATOM 1188 CB LYS A 76 -16.317 -24.887 -4.035 1.00 54.32 C ATOM 1189 CG LYS A 76 -15.169 -25.472 -4.844 1.00 62.33 C ATOM 1190 CD LYS A 76 -14.836 -24.643 -6.073 1.00 31.01 C ATOM 1191 CE LYS A 76 -13.664 -25.244 -6.836 1.00 51.33 C ATOM 1192 NZ LYS A 76 -13.904 -26.666 -7.209 1.00 72.41 N ATOM 1193 OXT LYS A 76 -18.444 -25.956 -6.709 1.00 0.00 O ATOM 0 H LYS A 76 -18.478 -24.715 -2.874 1.00 72.44 H new ATOM 0 HA LYS A 76 -17.577 -23.961 -5.520 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -16.026 -23.897 -3.683 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -16.472 -25.507 -3.152 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -14.285 -25.547 -4.211 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -15.427 -26.485 -5.153 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -15.708 -24.586 -6.725 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -14.595 -23.623 -5.774 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -13.482 -24.660 -7.738 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -12.763 -25.177 -6.226 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -13.203 -26.962 -7.918 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -13.816 -27.266 -6.364 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -14.860 -26.764 -7.605 1.00 72.41 H new TER 1207 LYS A 76