USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 811 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc=-0.00716 X(o=-0.0072,f=-0.0072) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.5!) USER MOD Single : A 6 HIS : no HD1:sc= -0.0896 K(o=-0.09,f=-0.72) USER MOD Single : A 7 TYR OH : rot 70:sc= -1.67 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0.00286 X(o=0.0029,f=-0.36) USER MOD Single : A 17 THR OG1 : rot 65:sc= 1.24 USER MOD Single : A 24 GLN : amide:sc= -0.0758 X(o=-0.076,f=-0.056) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 114:sc= -0.843 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.47 K(o=-1.5,f=-11!) USER MOD Single : A 54 GLN : amide:sc= -0.805 X(o=-0.8,f=-0.61) USER MOD Single : A 55 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.1) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot -89:sc= 1.25 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 79 HIS : no HD1:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.63) USER MOD Single : A 92 HIS : no HE2:sc= 0.0656 X(o=0.066,f=-0.35) USER MOD Single : A 101 ASN :FLIP amide:sc= -0.418 F(o=-1.2,f=-0.42) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.055 -0.167 0.103 1.00 71.11 N ATOM 2 CA GLY A 1 2.018 -0.095 1.186 1.00 64.13 C ATOM 3 C GLY A 1 3.431 0.141 0.690 1.00 42.31 C ATOM 4 O GLY A 1 3.928 1.266 0.723 1.00 13.34 O ATOM 0 H1 GLY A 1 0.105 -0.329 0.494 1.00 71.11 H new ATOM 0 H2 GLY A 1 1.063 0.727 -0.429 1.00 71.11 H new ATOM 0 H3 GLY A 1 1.306 -0.950 -0.533 1.00 71.11 H new ATOM 0 HA2 GLY A 1 1.736 0.709 1.866 1.00 64.13 H new ATOM 0 HA3 GLY A 1 1.987 -1.022 1.758 1.00 64.13 H new ATOM 8 N ASN A 2 4.081 -0.923 0.230 1.00 41.12 N ATOM 9 CA ASN A 2 5.447 -0.826 -0.273 1.00 33.21 C ATOM 10 C ASN A 2 5.749 -1.960 -1.249 1.00 13.43 C ATOM 11 O ASN A 2 5.539 -3.132 -0.938 1.00 64.11 O ATOM 12 CB ASN A 2 6.443 -0.858 0.888 1.00 61.43 C ATOM 13 CG ASN A 2 6.852 0.531 1.338 1.00 74.13 C ATOM 14 OD1 ASN A 2 7.535 1.255 0.613 1.00 74.52 O ATOM 15 ND2 ASN A 2 6.434 0.910 2.540 1.00 22.10 N ATOM 0 H ASN A 2 3.684 -1.862 0.195 1.00 41.12 H new ATOM 0 HA ASN A 2 5.547 0.121 -0.803 1.00 33.21 H new ATOM 0 HB2 ASN A 2 6.000 -1.393 1.728 1.00 61.43 H new ATOM 0 HB3 ASN A 2 7.330 -1.415 0.587 1.00 61.43 H new ATOM 0 HD21 ASN A 2 6.677 1.834 2.897 1.00 22.10 H new ATOM 0 HD22 ASN A 2 5.870 0.277 3.107 1.00 22.10 H new ATOM 22 N SER A 3 6.242 -1.601 -2.429 1.00 44.35 N ATOM 23 CA SER A 3 6.571 -2.587 -3.452 1.00 55.24 C ATOM 24 C SER A 3 8.070 -2.597 -3.736 1.00 34.11 C ATOM 25 O SER A 3 8.640 -3.633 -4.077 1.00 54.14 O ATOM 26 CB SER A 3 5.798 -2.293 -4.740 1.00 65.21 C ATOM 27 OG SER A 3 4.834 -3.299 -4.997 1.00 63.43 O ATOM 0 H SER A 3 6.423 -0.635 -2.701 1.00 44.35 H new ATOM 0 HA SER A 3 6.284 -3.570 -3.080 1.00 55.24 H new ATOM 0 HB2 SER A 3 5.305 -1.324 -4.659 1.00 65.21 H new ATOM 0 HB3 SER A 3 6.492 -2.228 -5.578 1.00 65.21 H new ATOM 0 HG SER A 3 4.353 -3.087 -5.824 1.00 63.43 H new ATOM 33 N GLN A 4 8.701 -1.436 -3.591 1.00 73.44 N ATOM 34 CA GLN A 4 10.133 -1.311 -3.833 1.00 23.24 C ATOM 35 C GLN A 4 10.928 -1.645 -2.575 1.00 23.33 C ATOM 36 O GLN A 4 11.029 -0.829 -1.658 1.00 25.51 O ATOM 37 CB GLN A 4 10.471 0.105 -4.303 1.00 30.25 C ATOM 38 CG GLN A 4 11.831 0.216 -4.972 1.00 24.53 C ATOM 39 CD GLN A 4 11.839 1.209 -6.117 1.00 24.30 C ATOM 40 OE1 GLN A 4 10.917 2.012 -6.264 1.00 25.31 O ATOM 41 NE2 GLN A 4 12.883 1.160 -6.936 1.00 62.43 N ATOM 0 H GLN A 4 8.243 -0.570 -3.307 1.00 73.44 H new ATOM 0 HA GLN A 4 10.407 -2.020 -4.614 1.00 23.24 H new ATOM 0 HB2 GLN A 4 9.704 0.440 -5.001 1.00 30.25 H new ATOM 0 HB3 GLN A 4 10.440 0.780 -3.448 1.00 30.25 H new ATOM 0 HG2 GLN A 4 12.573 0.515 -4.231 1.00 24.53 H new ATOM 0 HG3 GLN A 4 12.130 -0.764 -5.344 1.00 24.53 H new ATOM 0 HE21 GLN A 4 13.625 0.478 -6.777 1.00 62.43 H new ATOM 0 HE22 GLN A 4 12.943 1.804 -7.724 1.00 62.43 H new ATOM 50 N ILE A 5 11.490 -2.849 -2.538 1.00 50.10 N ATOM 51 CA ILE A 5 12.276 -3.290 -1.393 1.00 4.13 C ATOM 52 C ILE A 5 13.595 -3.912 -1.838 1.00 62.42 C ATOM 53 O ILE A 5 13.652 -4.618 -2.846 1.00 30.22 O ATOM 54 CB ILE A 5 11.502 -4.311 -0.538 1.00 45.10 C ATOM 55 CG1 ILE A 5 10.069 -3.830 -0.303 1.00 3.44 C ATOM 56 CG2 ILE A 5 12.214 -4.540 0.787 1.00 64.42 C ATOM 57 CD1 ILE A 5 9.987 -2.524 0.457 1.00 25.11 C ATOM 0 H ILE A 5 11.415 -3.536 -3.288 1.00 50.10 H new ATOM 0 HA ILE A 5 12.480 -2.405 -0.791 1.00 4.13 H new ATOM 0 HB ILE A 5 11.463 -5.258 -1.076 1.00 45.10 H new ATOM 0 HG12 ILE A 5 9.571 -3.713 -1.266 1.00 3.44 H new ATOM 0 HG13 ILE A 5 9.523 -4.596 0.247 1.00 3.44 H new ATOM 0 HG21 ILE A 5 11.655 -5.264 1.380 1.00 64.42 H new ATOM 0 HG22 ILE A 5 13.217 -4.922 0.600 1.00 64.42 H new ATOM 0 HG23 ILE A 5 12.280 -3.598 1.332 1.00 64.42 H new ATOM 0 HD11 ILE A 5 8.942 -2.244 0.587 1.00 25.11 H new ATOM 0 HD12 ILE A 5 10.456 -2.642 1.434 1.00 25.11 H new ATOM 0 HD13 ILE A 5 10.505 -1.745 -0.102 1.00 25.11 H new ATOM 69 N HIS A 6 14.654 -3.648 -1.080 1.00 3.22 N ATOM 70 CA HIS A 6 15.974 -4.184 -1.395 1.00 74.21 C ATOM 71 C HIS A 6 16.690 -4.644 -0.129 1.00 0.42 C ATOM 72 O HIS A 6 16.446 -4.121 0.959 1.00 41.52 O ATOM 73 CB HIS A 6 16.815 -3.133 -2.118 1.00 45.43 C ATOM 74 CG HIS A 6 16.848 -1.808 -1.420 1.00 43.12 C ATOM 75 ND1 HIS A 6 17.518 -1.599 -0.233 1.00 61.21 N ATOM 76 CD2 HIS A 6 16.290 -0.620 -1.750 1.00 2.54 C ATOM 77 CE1 HIS A 6 17.369 -0.340 0.138 1.00 21.24 C ATOM 78 NE2 HIS A 6 16.628 0.276 -0.765 1.00 64.00 N ATOM 0 H HIS A 6 14.624 -3.066 -0.243 1.00 3.22 H new ATOM 0 HA HIS A 6 15.842 -5.046 -2.050 1.00 74.21 H new ATOM 0 HB2 HIS A 6 17.834 -3.505 -2.223 1.00 45.43 H new ATOM 0 HB3 HIS A 6 16.421 -2.994 -3.125 1.00 45.43 H new ATOM 0 HD2 HIS A 6 15.691 -0.415 -2.625 1.00 2.54 H new ATOM 0 HE1 HIS A 6 17.783 0.109 1.029 1.00 21.24 H new ATOM 0 HE2 HIS A 6 16.352 1.257 -0.736 1.00 64.00 H new ATOM 86 N TYR A 7 17.573 -5.624 -0.278 1.00 24.43 N ATOM 87 CA TYR A 7 18.323 -6.156 0.854 1.00 33.54 C ATOM 88 C TYR A 7 19.825 -6.049 0.612 1.00 21.30 C ATOM 89 O TYR A 7 20.270 -5.850 -0.518 1.00 43.21 O ATOM 90 CB TYR A 7 17.938 -7.615 1.107 1.00 63.32 C ATOM 91 CG TYR A 7 16.450 -7.872 1.026 1.00 24.15 C ATOM 92 CD1 TYR A 7 15.540 -6.969 1.560 1.00 14.20 C ATOM 93 CD2 TYR A 7 15.956 -9.018 0.416 1.00 75.01 C ATOM 94 CE1 TYR A 7 14.180 -7.200 1.489 1.00 15.05 C ATOM 95 CE2 TYR A 7 14.597 -9.257 0.339 1.00 11.34 C ATOM 96 CZ TYR A 7 13.713 -8.345 0.878 1.00 21.01 C ATOM 97 OH TYR A 7 12.359 -8.578 0.805 1.00 71.25 O ATOM 0 H TYR A 7 17.788 -6.067 -1.172 1.00 24.43 H new ATOM 0 HA TYR A 7 18.073 -5.563 1.734 1.00 33.54 H new ATOM 0 HB2 TYR A 7 18.447 -8.248 0.380 1.00 63.32 H new ATOM 0 HB3 TYR A 7 18.296 -7.911 2.093 1.00 63.32 H new ATOM 0 HD1 TYR A 7 15.902 -6.071 2.039 1.00 14.20 H new ATOM 0 HD2 TYR A 7 16.646 -9.734 -0.005 1.00 75.01 H new ATOM 0 HE1 TYR A 7 13.486 -6.488 1.910 1.00 15.05 H new ATOM 0 HE2 TYR A 7 14.229 -10.152 -0.140 1.00 11.34 H new ATOM 0 HH TYR A 7 11.951 -7.943 0.180 1.00 71.25 H new ATOM 107 N SER A 8 20.602 -6.184 1.682 1.00 14.04 N ATOM 108 CA SER A 8 22.054 -6.099 1.588 1.00 23.35 C ATOM 109 C SER A 8 22.704 -7.412 2.016 1.00 12.13 C ATOM 110 O SER A 8 22.823 -7.698 3.208 1.00 61.30 O ATOM 111 CB SER A 8 22.577 -4.952 2.456 1.00 74.34 C ATOM 112 OG SER A 8 22.196 -3.696 1.922 1.00 1.34 O ATOM 0 H SER A 8 20.250 -6.353 2.624 1.00 14.04 H new ATOM 0 HA SER A 8 22.315 -5.906 0.547 1.00 23.35 H new ATOM 0 HB2 SER A 8 22.190 -5.053 3.470 1.00 74.34 H new ATOM 0 HB3 SER A 8 23.663 -5.008 2.523 1.00 74.34 H new ATOM 0 HG SER A 8 22.540 -2.979 2.495 1.00 1.34 H new ATOM 118 N ILE A 9 23.121 -8.205 1.036 1.00 65.23 N ATOM 119 CA ILE A 9 23.760 -9.487 1.310 1.00 52.42 C ATOM 120 C ILE A 9 25.214 -9.486 0.851 1.00 50.33 C ATOM 121 O ILE A 9 25.517 -9.329 -0.332 1.00 44.01 O ATOM 122 CB ILE A 9 23.016 -10.645 0.620 1.00 60.14 C ATOM 123 CG1 ILE A 9 23.836 -11.934 0.712 1.00 10.42 C ATOM 124 CG2 ILE A 9 22.727 -10.298 -0.833 1.00 70.12 C ATOM 125 CD1 ILE A 9 23.153 -13.130 0.088 1.00 23.52 C ATOM 0 H ILE A 9 23.028 -7.983 0.045 1.00 65.23 H new ATOM 0 HA ILE A 9 23.723 -9.634 2.389 1.00 52.42 H new ATOM 0 HB ILE A 9 22.067 -10.803 1.132 1.00 60.14 H new ATOM 0 HG12 ILE A 9 24.798 -11.779 0.223 1.00 10.42 H new ATOM 0 HG13 ILE A 9 24.043 -12.150 1.760 1.00 10.42 H new ATOM 0 HG21 ILE A 9 22.201 -11.126 -1.307 1.00 70.12 H new ATOM 0 HG22 ILE A 9 22.108 -9.402 -0.877 1.00 70.12 H new ATOM 0 HG23 ILE A 9 23.665 -10.117 -1.357 1.00 70.12 H new ATOM 0 HD11 ILE A 9 23.791 -14.008 0.190 1.00 23.52 H new ATOM 0 HD12 ILE A 9 22.204 -13.311 0.592 1.00 23.52 H new ATOM 0 HD13 ILE A 9 22.971 -12.935 -0.969 1.00 23.52 H new ATOM 137 N PRO A 10 26.137 -9.667 1.807 1.00 15.34 N ATOM 138 CA PRO A 10 27.575 -9.693 1.525 1.00 32.32 C ATOM 139 C PRO A 10 27.991 -10.940 0.751 1.00 13.35 C ATOM 140 O PRO A 10 27.541 -12.045 1.051 1.00 61.32 O ATOM 141 CB PRO A 10 28.210 -9.692 2.918 1.00 14.01 C ATOM 142 CG PRO A 10 27.172 -10.284 3.808 1.00 71.21 C ATOM 143 CD PRO A 10 25.847 -9.860 3.238 1.00 14.21 C ATOM 0 HA PRO A 10 27.883 -8.854 0.901 1.00 32.32 H new ATOM 0 HB2 PRO A 10 29.128 -10.280 2.935 1.00 14.01 H new ATOM 0 HB3 PRO A 10 28.472 -8.682 3.233 1.00 14.01 H new ATOM 0 HG2 PRO A 10 27.255 -11.370 3.836 1.00 71.21 H new ATOM 0 HG3 PRO A 10 27.288 -9.929 4.832 1.00 71.21 H new ATOM 0 HD2 PRO A 10 25.081 -10.620 3.394 1.00 14.21 H new ATOM 0 HD3 PRO A 10 25.485 -8.942 3.702 1.00 14.21 H new ATOM 151 N GLU A 11 28.852 -10.753 -0.244 1.00 11.01 N ATOM 152 CA GLU A 11 29.327 -11.864 -1.060 1.00 45.32 C ATOM 153 C GLU A 11 29.789 -13.025 -0.184 1.00 14.43 C ATOM 154 O GLU A 11 30.117 -12.839 0.987 1.00 10.55 O ATOM 155 CB GLU A 11 30.474 -11.407 -1.965 1.00 12.31 C ATOM 156 CG GLU A 11 30.016 -10.926 -3.332 1.00 30.52 C ATOM 157 CD GLU A 11 30.899 -11.434 -4.455 1.00 25.44 C ATOM 158 OE1 GLU A 11 32.058 -11.808 -4.176 1.00 71.02 O ATOM 159 OE2 GLU A 11 30.431 -11.458 -5.612 1.00 64.43 O ATOM 0 H GLU A 11 29.234 -9.844 -0.504 1.00 11.01 H new ATOM 0 HA GLU A 11 28.498 -12.206 -1.679 1.00 45.32 H new ATOM 0 HB2 GLU A 11 31.018 -10.603 -1.470 1.00 12.31 H new ATOM 0 HB3 GLU A 11 31.174 -12.232 -2.095 1.00 12.31 H new ATOM 0 HG2 GLU A 11 28.991 -11.254 -3.504 1.00 30.52 H new ATOM 0 HG3 GLU A 11 30.008 -9.836 -3.346 1.00 30.52 H new ATOM 166 N GLU A 12 29.809 -14.222 -0.761 1.00 24.24 N ATOM 167 CA GLU A 12 30.229 -15.413 -0.031 1.00 72.35 C ATOM 168 C GLU A 12 29.272 -15.712 1.119 1.00 75.33 C ATOM 169 O GLU A 12 29.641 -16.367 2.093 1.00 13.23 O ATOM 170 CB GLU A 12 31.650 -15.235 0.507 1.00 60.14 C ATOM 171 CG GLU A 12 32.604 -16.339 0.083 1.00 42.14 C ATOM 172 CD GLU A 12 33.920 -16.294 0.836 1.00 75.31 C ATOM 173 OE1 GLU A 12 33.994 -16.884 1.934 1.00 33.32 O ATOM 174 OE2 GLU A 12 34.874 -15.670 0.328 1.00 51.31 O ATOM 0 H GLU A 12 29.540 -14.393 -1.730 1.00 24.24 H new ATOM 0 HA GLU A 12 30.213 -16.255 -0.723 1.00 72.35 H new ATOM 0 HB2 GLU A 12 32.042 -14.277 0.165 1.00 60.14 H new ATOM 0 HB3 GLU A 12 31.615 -15.195 1.596 1.00 60.14 H new ATOM 0 HG2 GLU A 12 32.129 -17.307 0.246 1.00 42.14 H new ATOM 0 HG3 GLU A 12 32.798 -16.255 -0.986 1.00 42.14 H new ATOM 181 N ALA A 13 28.040 -15.227 0.997 1.00 22.23 N ATOM 182 CA ALA A 13 27.029 -15.443 2.025 1.00 63.00 C ATOM 183 C ALA A 13 26.656 -16.918 2.126 1.00 31.05 C ATOM 184 O ALA A 13 25.977 -17.459 1.253 1.00 22.13 O ATOM 185 CB ALA A 13 25.794 -14.603 1.735 1.00 4.33 C ATOM 0 H ALA A 13 27.718 -14.682 0.197 1.00 22.23 H new ATOM 0 HA ALA A 13 27.448 -15.135 2.983 1.00 63.00 H new ATOM 0 HB1 ALA A 13 25.047 -14.774 2.510 1.00 4.33 H new ATOM 0 HB2 ALA A 13 26.067 -13.548 1.720 1.00 4.33 H new ATOM 0 HB3 ALA A 13 25.382 -14.884 0.766 1.00 4.33 H new ATOM 191 N LYS A 14 27.104 -17.565 3.197 1.00 11.43 N ATOM 192 CA LYS A 14 26.817 -18.978 3.414 1.00 12.42 C ATOM 193 C LYS A 14 25.329 -19.198 3.667 1.00 73.05 C ATOM 194 O LYS A 14 24.585 -18.250 3.923 1.00 23.43 O ATOM 195 CB LYS A 14 27.630 -19.509 4.597 1.00 14.52 C ATOM 196 CG LYS A 14 29.095 -19.740 4.273 1.00 5.42 C ATOM 197 CD LYS A 14 29.273 -20.861 3.263 1.00 3.30 C ATOM 198 CE LYS A 14 30.048 -20.392 2.041 1.00 52.12 C ATOM 199 NZ LYS A 14 31.494 -20.735 2.135 1.00 12.13 N ATOM 0 H LYS A 14 27.668 -17.133 3.929 1.00 11.43 H new ATOM 0 HA LYS A 14 27.099 -19.523 2.513 1.00 12.42 H new ATOM 0 HB2 LYS A 14 27.556 -18.803 5.424 1.00 14.52 H new ATOM 0 HB3 LYS A 14 27.190 -20.446 4.938 1.00 14.52 H new ATOM 0 HG2 LYS A 14 29.531 -18.822 3.879 1.00 5.42 H new ATOM 0 HG3 LYS A 14 29.637 -19.983 5.187 1.00 5.42 H new ATOM 0 HD2 LYS A 14 29.798 -21.694 3.731 1.00 3.30 H new ATOM 0 HD3 LYS A 14 28.296 -21.233 2.955 1.00 3.30 H new ATOM 0 HE2 LYS A 14 29.624 -20.847 1.146 1.00 52.12 H new ATOM 0 HE3 LYS A 14 29.937 -19.313 1.933 1.00 52.12 H new ATOM 0 HZ1 LYS A 14 31.987 -20.398 1.283 1.00 12.13 H new ATOM 0 HZ2 LYS A 14 31.905 -20.280 2.975 1.00 12.13 H new ATOM 0 HZ3 LYS A 14 31.602 -21.767 2.212 1.00 12.13 H new ATOM 213 N HIS A 15 24.900 -20.454 3.593 1.00 23.21 N ATOM 214 CA HIS A 15 23.501 -20.799 3.816 1.00 54.12 C ATOM 215 C HIS A 15 23.050 -20.368 5.208 1.00 11.32 C ATOM 216 O HIS A 15 23.559 -20.857 6.216 1.00 72.34 O ATOM 217 CB HIS A 15 23.290 -22.303 3.642 1.00 70.21 C ATOM 218 CG HIS A 15 23.621 -22.800 2.268 1.00 0.51 C ATOM 219 ND1 HIS A 15 24.895 -23.165 1.887 1.00 73.24 N ATOM 220 CD2 HIS A 15 22.835 -22.991 1.183 1.00 62.51 C ATOM 221 CE1 HIS A 15 24.878 -23.559 0.626 1.00 42.13 C ATOM 222 NE2 HIS A 15 23.640 -23.464 0.176 1.00 42.44 N ATOM 0 H HIS A 15 25.502 -21.250 3.380 1.00 23.21 H new ATOM 0 HA HIS A 15 22.900 -20.268 3.078 1.00 54.12 H new ATOM 0 HB2 HIS A 15 23.904 -22.834 4.369 1.00 70.21 H new ATOM 0 HB3 HIS A 15 22.251 -22.544 3.866 1.00 70.21 H new ATOM 0 HD2 HIS A 15 21.773 -22.806 1.121 1.00 62.51 H new ATOM 0 HE1 HIS A 15 25.732 -23.901 0.059 1.00 42.13 H new ATOM 0 HE2 HIS A 15 23.332 -23.703 -0.766 1.00 42.44 H new ATOM 230 N GLY A 16 22.092 -19.447 5.256 1.00 32.04 N ATOM 231 CA GLY A 16 21.590 -18.965 6.530 1.00 54.02 C ATOM 232 C GLY A 16 22.075 -17.566 6.852 1.00 11.42 C ATOM 233 O GLY A 16 21.866 -17.067 7.959 1.00 53.55 O ATOM 0 H GLY A 16 21.655 -19.026 4.436 1.00 32.04 H new ATOM 0 HA2 GLY A 16 20.500 -18.974 6.514 1.00 54.02 H new ATOM 0 HA3 GLY A 16 21.903 -19.646 7.322 1.00 54.02 H new ATOM 237 N THR A 17 22.727 -16.929 5.884 1.00 24.43 N ATOM 238 CA THR A 17 23.247 -15.580 6.071 1.00 34.51 C ATOM 239 C THR A 17 22.125 -14.549 6.029 1.00 0.05 C ATOM 240 O THR A 17 21.166 -14.690 5.271 1.00 71.44 O ATOM 241 CB THR A 17 24.293 -15.228 4.998 1.00 43.45 C ATOM 242 OG1 THR A 17 25.424 -16.099 5.110 1.00 32.34 O ATOM 243 CG2 THR A 17 24.745 -13.782 5.137 1.00 4.20 C ATOM 0 H THR A 17 22.908 -17.326 4.962 1.00 24.43 H new ATOM 0 HA THR A 17 23.722 -15.557 7.052 1.00 34.51 H new ATOM 0 HB THR A 17 23.833 -15.356 4.018 1.00 43.45 H new ATOM 0 HG1 THR A 17 25.149 -17.019 4.913 1.00 32.34 H new ATOM 0 HG21 THR A 17 25.484 -13.556 4.368 1.00 4.20 H new ATOM 0 HG22 THR A 17 23.887 -13.120 5.021 1.00 4.20 H new ATOM 0 HG23 THR A 17 25.188 -13.632 6.121 1.00 4.20 H new ATOM 251 N PHE A 18 22.252 -13.511 6.849 1.00 14.32 N ATOM 252 CA PHE A 18 21.248 -12.455 6.906 1.00 54.41 C ATOM 253 C PHE A 18 21.299 -11.588 5.651 1.00 12.43 C ATOM 254 O PHE A 18 22.355 -11.075 5.280 1.00 54.20 O ATOM 255 CB PHE A 18 21.459 -11.587 8.148 1.00 1.22 C ATOM 256 CG PHE A 18 20.726 -10.277 8.096 1.00 1.13 C ATOM 257 CD1 PHE A 18 19.403 -10.224 7.688 1.00 42.22 C ATOM 258 CD2 PHE A 18 21.360 -9.098 8.456 1.00 62.44 C ATOM 259 CE1 PHE A 18 18.726 -9.020 7.639 1.00 34.12 C ATOM 260 CE2 PHE A 18 20.688 -7.892 8.409 1.00 14.15 C ATOM 261 CZ PHE A 18 19.369 -7.852 8.000 1.00 62.54 C ATOM 0 H PHE A 18 23.040 -13.379 7.483 1.00 14.32 H new ATOM 0 HA PHE A 18 20.266 -12.925 6.963 1.00 54.41 H new ATOM 0 HB2 PHE A 18 21.134 -12.141 9.028 1.00 1.22 H new ATOM 0 HB3 PHE A 18 22.525 -11.393 8.269 1.00 1.22 H new ATOM 0 HD1 PHE A 18 18.895 -11.134 7.405 1.00 42.22 H new ATOM 0 HD2 PHE A 18 22.391 -9.123 8.777 1.00 62.44 H new ATOM 0 HE1 PHE A 18 17.695 -8.992 7.319 1.00 34.12 H new ATOM 0 HE2 PHE A 18 21.194 -6.981 8.692 1.00 14.15 H new ATOM 0 HZ PHE A 18 18.842 -6.910 7.963 1.00 62.54 H new ATOM 271 N VAL A 19 20.150 -11.429 5.002 1.00 50.33 N ATOM 272 CA VAL A 19 20.062 -10.624 3.789 1.00 4.21 C ATOM 273 C VAL A 19 19.251 -9.356 4.029 1.00 41.53 C ATOM 274 O VAL A 19 19.738 -8.245 3.819 1.00 24.53 O ATOM 275 CB VAL A 19 19.424 -11.418 2.634 1.00 44.55 C ATOM 276 CG1 VAL A 19 19.497 -10.625 1.337 1.00 14.13 C ATOM 277 CG2 VAL A 19 20.102 -12.771 2.479 1.00 1.32 C ATOM 0 H VAL A 19 19.267 -11.847 5.296 1.00 50.33 H new ATOM 0 HA VAL A 19 21.081 -10.353 3.514 1.00 4.21 H new ATOM 0 HB VAL A 19 18.374 -11.588 2.870 1.00 44.55 H new ATOM 0 HG11 VAL A 19 19.041 -11.202 0.532 1.00 14.13 H new ATOM 0 HG12 VAL A 19 18.962 -9.683 1.456 1.00 14.13 H new ATOM 0 HG13 VAL A 19 20.540 -10.422 1.093 1.00 14.13 H new ATOM 0 HG21 VAL A 19 19.638 -13.318 1.658 1.00 1.32 H new ATOM 0 HG22 VAL A 19 21.161 -12.625 2.265 1.00 1.32 H new ATOM 0 HG23 VAL A 19 19.993 -13.340 3.402 1.00 1.32 H new ATOM 287 N GLY A 20 18.009 -9.529 4.470 1.00 12.52 N ATOM 288 CA GLY A 20 17.149 -8.389 4.732 1.00 61.12 C ATOM 289 C GLY A 20 15.719 -8.797 5.025 1.00 20.02 C ATOM 290 O GLY A 20 15.076 -9.460 4.211 1.00 41.21 O ATOM 0 H GLY A 20 17.583 -10.438 4.651 1.00 12.52 H new ATOM 0 HA2 GLY A 20 17.544 -7.827 5.578 1.00 61.12 H new ATOM 0 HA3 GLY A 20 17.164 -7.721 3.871 1.00 61.12 H new ATOM 294 N ARG A 21 15.220 -8.402 6.192 1.00 62.01 N ATOM 295 CA ARG A 21 13.858 -8.733 6.592 1.00 71.31 C ATOM 296 C ARG A 21 12.870 -8.417 5.472 1.00 25.23 C ATOM 297 O ARG A 21 12.513 -7.259 5.256 1.00 53.02 O ATOM 298 CB ARG A 21 13.474 -7.964 7.857 1.00 32.23 C ATOM 299 CG ARG A 21 14.440 -8.171 9.012 1.00 0.33 C ATOM 300 CD ARG A 21 13.801 -8.970 10.137 1.00 11.12 C ATOM 301 NE ARG A 21 14.630 -8.983 11.339 1.00 4.11 N ATOM 302 CZ ARG A 21 14.204 -9.412 12.522 1.00 52.22 C ATOM 303 NH1 ARG A 21 12.964 -9.861 12.660 1.00 0.21 N ATOM 304 NH2 ARG A 21 15.018 -9.393 13.569 1.00 4.51 N ATOM 0 H ARG A 21 15.739 -7.852 6.877 1.00 62.01 H new ATOM 0 HA ARG A 21 13.817 -9.802 6.799 1.00 71.31 H new ATOM 0 HB2 ARG A 21 13.422 -6.900 7.624 1.00 32.23 H new ATOM 0 HB3 ARG A 21 12.476 -8.271 8.170 1.00 32.23 H new ATOM 0 HG2 ARG A 21 15.329 -8.690 8.655 1.00 0.33 H new ATOM 0 HG3 ARG A 21 14.767 -7.203 9.392 1.00 0.33 H new ATOM 0 HD2 ARG A 21 12.825 -8.546 10.374 1.00 11.12 H new ATOM 0 HD3 ARG A 21 13.631 -9.994 9.803 1.00 11.12 H new ATOM 0 HE ARG A 21 15.589 -8.644 11.266 1.00 4.11 H new ATOM 0 HH11 ARG A 21 12.335 -9.877 11.857 1.00 0.21 H new ATOM 0 HH12 ARG A 21 12.639 -10.190 13.569 1.00 0.21 H new ATOM 0 HH21 ARG A 21 15.973 -9.049 13.467 1.00 4.51 H new ATOM 0 HH22 ARG A 21 14.689 -9.723 14.477 1.00 4.51 H new ATOM 318 N ILE A 22 12.435 -9.454 4.764 1.00 0.23 N ATOM 319 CA ILE A 22 11.489 -9.286 3.668 1.00 21.31 C ATOM 320 C ILE A 22 10.122 -8.849 4.183 1.00 22.05 C ATOM 321 O ILE A 22 9.493 -7.953 3.622 1.00 44.33 O ATOM 322 CB ILE A 22 11.328 -10.587 2.860 1.00 62.24 C ATOM 323 CG1 ILE A 22 10.275 -10.406 1.765 1.00 73.11 C ATOM 324 CG2 ILE A 22 10.952 -11.739 3.779 1.00 32.22 C ATOM 325 CD1 ILE A 22 10.480 -11.314 0.573 1.00 74.42 C ATOM 0 H ILE A 22 12.722 -10.419 4.930 1.00 0.23 H new ATOM 0 HA ILE A 22 11.894 -8.511 3.018 1.00 21.31 H new ATOM 0 HB ILE A 22 12.281 -10.823 2.386 1.00 62.24 H new ATOM 0 HG12 ILE A 22 9.288 -10.592 2.188 1.00 73.11 H new ATOM 0 HG13 ILE A 22 10.287 -9.369 1.428 1.00 73.11 H new ATOM 0 HG21 ILE A 22 10.842 -12.651 3.193 1.00 32.22 H new ATOM 0 HG22 ILE A 22 11.734 -11.879 4.525 1.00 32.22 H new ATOM 0 HG23 ILE A 22 10.010 -11.513 4.279 1.00 32.22 H new ATOM 0 HD11 ILE A 22 9.697 -11.131 -0.163 1.00 74.42 H new ATOM 0 HD12 ILE A 22 11.453 -11.113 0.125 1.00 74.42 H new ATOM 0 HD13 ILE A 22 10.438 -12.354 0.896 1.00 74.42 H new ATOM 337 N ALA A 23 9.669 -9.487 5.257 1.00 31.35 N ATOM 338 CA ALA A 23 8.378 -9.162 5.852 1.00 43.34 C ATOM 339 C ALA A 23 8.414 -7.795 6.527 1.00 50.23 C ATOM 340 O ALA A 23 7.501 -6.986 6.359 1.00 23.51 O ATOM 341 CB ALA A 23 7.971 -10.235 6.850 1.00 21.11 C ATOM 0 H ALA A 23 10.177 -10.232 5.733 1.00 31.35 H new ATOM 0 HA ALA A 23 7.637 -9.125 5.054 1.00 43.34 H new ATOM 0 HB1 ALA A 23 7.005 -9.979 7.286 1.00 21.11 H new ATOM 0 HB2 ALA A 23 7.896 -11.196 6.341 1.00 21.11 H new ATOM 0 HB3 ALA A 23 8.720 -10.300 7.639 1.00 21.11 H new ATOM 347 N GLN A 24 9.473 -7.544 7.290 1.00 32.41 N ATOM 348 CA GLN A 24 9.625 -6.275 7.991 1.00 22.13 C ATOM 349 C GLN A 24 9.613 -5.107 7.011 1.00 2.31 C ATOM 350 O GLN A 24 8.996 -4.073 7.269 1.00 30.35 O ATOM 351 CB GLN A 24 10.925 -6.267 8.797 1.00 2.45 C ATOM 352 CG GLN A 24 10.908 -5.298 9.969 1.00 22.11 C ATOM 353 CD GLN A 24 11.355 -3.903 9.580 1.00 44.05 C ATOM 354 OE1 GLN A 24 10.567 -2.957 9.601 1.00 60.34 O ATOM 355 NE2 GLN A 24 12.627 -3.767 9.221 1.00 13.00 N ATOM 0 H GLN A 24 10.238 -8.202 7.438 1.00 32.41 H new ATOM 0 HA GLN A 24 8.782 -6.162 8.673 1.00 22.13 H new ATOM 0 HB2 GLN A 24 11.117 -7.273 9.171 1.00 2.45 H new ATOM 0 HB3 GLN A 24 11.752 -6.009 8.135 1.00 2.45 H new ATOM 0 HG2 GLN A 24 9.900 -5.251 10.381 1.00 22.11 H new ATOM 0 HG3 GLN A 24 11.558 -5.677 10.758 1.00 22.11 H new ATOM 0 HE21 GLN A 24 13.246 -4.578 9.218 1.00 13.00 H new ATOM 0 HE22 GLN A 24 12.985 -2.852 8.949 1.00 13.00 H new ATOM 364 N ASP A 25 10.299 -5.278 5.886 1.00 2.44 N ATOM 365 CA ASP A 25 10.367 -4.237 4.867 1.00 70.44 C ATOM 366 C ASP A 25 9.060 -4.157 4.084 1.00 31.52 C ATOM 367 O ASP A 25 8.737 -3.123 3.498 1.00 61.43 O ATOM 368 CB ASP A 25 11.532 -4.504 3.912 1.00 33.40 C ATOM 369 CG ASP A 25 12.869 -4.539 4.626 1.00 71.33 C ATOM 370 OD1 ASP A 25 12.959 -3.989 5.743 1.00 42.23 O ATOM 371 OD2 ASP A 25 13.825 -5.116 4.067 1.00 63.43 O ATOM 0 H ASP A 25 10.816 -6.127 5.657 1.00 2.44 H new ATOM 0 HA ASP A 25 10.529 -3.283 5.368 1.00 70.44 H new ATOM 0 HB2 ASP A 25 11.370 -5.454 3.403 1.00 33.40 H new ATOM 0 HB3 ASP A 25 11.553 -3.731 3.144 1.00 33.40 H new ATOM 376 N LEU A 26 8.312 -5.255 4.078 1.00 32.24 N ATOM 377 CA LEU A 26 7.039 -5.310 3.367 1.00 64.31 C ATOM 378 C LEU A 26 5.930 -4.657 4.185 1.00 74.53 C ATOM 379 O LEU A 26 5.070 -3.965 3.642 1.00 74.32 O ATOM 380 CB LEU A 26 6.671 -6.761 3.052 1.00 31.25 C ATOM 381 CG LEU A 26 6.892 -7.212 1.608 1.00 11.01 C ATOM 382 CD1 LEU A 26 8.329 -6.955 1.183 1.00 42.33 C ATOM 383 CD2 LEU A 26 6.542 -8.684 1.450 1.00 63.54 C ATOM 0 H LEU A 26 8.565 -6.119 4.557 1.00 32.24 H new ATOM 0 HA LEU A 26 7.148 -4.759 2.433 1.00 64.31 H new ATOM 0 HB2 LEU A 26 7.250 -7.412 3.707 1.00 31.25 H new ATOM 0 HB3 LEU A 26 5.620 -6.911 3.301 1.00 31.25 H new ATOM 0 HG LEU A 26 6.234 -6.631 0.961 1.00 11.01 H new ATOM 0 HD11 LEU A 26 8.468 -7.282 0.153 1.00 42.33 H new ATOM 0 HD12 LEU A 26 8.545 -5.889 1.258 1.00 42.33 H new ATOM 0 HD13 LEU A 26 9.006 -7.509 1.834 1.00 42.33 H new ATOM 0 HD21 LEU A 26 6.705 -8.988 0.416 1.00 63.54 H new ATOM 0 HD22 LEU A 26 7.174 -9.281 2.108 1.00 63.54 H new ATOM 0 HD23 LEU A 26 5.496 -8.839 1.713 1.00 63.54 H new ATOM 395 N GLY A 27 5.957 -4.882 5.495 1.00 12.41 N ATOM 396 CA GLY A 27 4.949 -4.306 6.367 1.00 23.50 C ATOM 397 C GLY A 27 3.746 -5.212 6.539 1.00 22.34 C ATOM 398 O GLY A 27 2.603 -4.761 6.456 1.00 70.54 O ATOM 0 H GLY A 27 6.658 -5.452 5.968 1.00 12.41 H new ATOM 0 HA2 GLY A 27 5.390 -4.103 7.343 1.00 23.50 H new ATOM 0 HA3 GLY A 27 4.624 -3.349 5.959 1.00 23.50 H new ATOM 402 N LEU A 28 4.002 -6.494 6.779 1.00 1.42 N ATOM 403 CA LEU A 28 2.931 -7.467 6.962 1.00 14.42 C ATOM 404 C LEU A 28 3.097 -8.218 8.279 1.00 72.51 C ATOM 405 O LEU A 28 3.974 -7.899 9.080 1.00 1.42 O ATOM 406 CB LEU A 28 2.909 -8.456 5.796 1.00 71.11 C ATOM 407 CG LEU A 28 3.637 -8.013 4.526 1.00 31.22 C ATOM 408 CD1 LEU A 28 3.681 -9.147 3.513 1.00 1.33 C ATOM 409 CD2 LEU A 28 2.966 -6.786 3.927 1.00 15.01 C ATOM 0 H LEU A 28 4.942 -6.883 6.851 1.00 1.42 H new ATOM 0 HA LEU A 28 1.984 -6.928 6.990 1.00 14.42 H new ATOM 0 HB2 LEU A 28 3.348 -9.395 6.134 1.00 71.11 H new ATOM 0 HB3 LEU A 28 1.870 -8.664 5.541 1.00 71.11 H new ATOM 0 HG LEU A 28 4.661 -7.749 4.790 1.00 31.22 H new ATOM 0 HD11 LEU A 28 4.203 -8.813 2.616 1.00 1.33 H new ATOM 0 HD12 LEU A 28 4.207 -9.999 3.943 1.00 1.33 H new ATOM 0 HD13 LEU A 28 2.664 -9.442 3.253 1.00 1.33 H new ATOM 0 HD21 LEU A 28 3.497 -6.485 3.024 1.00 15.01 H new ATOM 0 HD22 LEU A 28 1.932 -7.022 3.677 1.00 15.01 H new ATOM 0 HD23 LEU A 28 2.988 -5.970 4.650 1.00 15.01 H new ATOM 421 N GLU A 29 2.250 -9.220 8.494 1.00 75.25 N ATOM 422 CA GLU A 29 2.304 -10.018 9.713 1.00 64.13 C ATOM 423 C GLU A 29 3.075 -11.315 9.480 1.00 11.43 C ATOM 424 O GLU A 29 2.957 -11.940 8.425 1.00 10.25 O ATOM 425 CB GLU A 29 0.891 -10.334 10.206 1.00 12.42 C ATOM 426 CG GLU A 29 0.640 -9.911 11.644 1.00 33.51 C ATOM 427 CD GLU A 29 0.310 -8.437 11.770 1.00 4.31 C ATOM 428 OE1 GLU A 29 -0.844 -8.059 11.480 1.00 2.00 O ATOM 429 OE2 GLU A 29 1.208 -7.660 12.159 1.00 31.35 O ATOM 0 H GLU A 29 1.518 -9.498 7.840 1.00 75.25 H new ATOM 0 HA GLU A 29 2.825 -9.437 10.474 1.00 64.13 H new ATOM 0 HB2 GLU A 29 0.169 -9.836 9.558 1.00 12.42 H new ATOM 0 HB3 GLU A 29 0.715 -11.406 10.115 1.00 12.42 H new ATOM 0 HG2 GLU A 29 -0.181 -10.499 12.054 1.00 33.51 H new ATOM 0 HG3 GLU A 29 1.522 -10.134 12.244 1.00 33.51 H new ATOM 436 N LEU A 30 3.864 -11.713 10.472 1.00 41.41 N ATOM 437 CA LEU A 30 4.655 -12.934 10.377 1.00 64.53 C ATOM 438 C LEU A 30 3.758 -14.168 10.408 1.00 5.11 C ATOM 439 O LEU A 30 4.098 -15.211 9.849 1.00 62.12 O ATOM 440 CB LEU A 30 5.670 -12.999 11.519 1.00 2.45 C ATOM 441 CG LEU A 30 7.141 -13.071 11.108 1.00 40.03 C ATOM 442 CD1 LEU A 30 7.455 -14.422 10.485 1.00 22.51 C ATOM 443 CD2 LEU A 30 7.480 -11.945 10.142 1.00 45.00 C ATOM 0 H LEU A 30 3.973 -11.208 11.351 1.00 41.41 H new ATOM 0 HA LEU A 30 5.188 -12.918 9.426 1.00 64.53 H new ATOM 0 HB2 LEU A 30 5.533 -12.121 12.150 1.00 2.45 H new ATOM 0 HB3 LEU A 30 5.442 -13.871 12.132 1.00 2.45 H new ATOM 0 HG LEU A 30 7.755 -12.954 12.001 1.00 40.03 H new ATOM 0 HD11 LEU A 30 8.506 -14.455 10.199 1.00 22.51 H new ATOM 0 HD12 LEU A 30 7.251 -15.212 11.207 1.00 22.51 H new ATOM 0 HD13 LEU A 30 6.834 -14.569 9.602 1.00 22.51 H new ATOM 0 HD21 LEU A 30 8.531 -12.012 9.860 1.00 45.00 H new ATOM 0 HD22 LEU A 30 6.859 -12.031 9.250 1.00 45.00 H new ATOM 0 HD23 LEU A 30 7.294 -10.985 10.623 1.00 45.00 H new ATOM 455 N THR A 31 2.609 -14.041 11.065 1.00 63.24 N ATOM 456 CA THR A 31 1.663 -15.144 11.168 1.00 34.32 C ATOM 457 C THR A 31 0.590 -15.051 10.089 1.00 34.34 C ATOM 458 O THR A 31 -0.333 -15.864 10.048 1.00 61.44 O ATOM 459 CB THR A 31 0.983 -15.174 12.550 1.00 5.14 C ATOM 460 OG1 THR A 31 1.936 -14.858 13.571 1.00 5.33 O ATOM 461 CG2 THR A 31 0.374 -16.540 12.825 1.00 74.34 C ATOM 0 H THR A 31 2.312 -13.185 11.533 1.00 63.24 H new ATOM 0 HA THR A 31 2.233 -16.063 11.032 1.00 34.32 H new ATOM 0 HB THR A 31 0.185 -14.431 12.554 1.00 5.14 H new ATOM 0 HG1 THR A 31 1.496 -14.877 14.446 1.00 5.33 H new ATOM 0 HG21 THR A 31 -0.100 -16.536 13.806 1.00 74.34 H new ATOM 0 HG22 THR A 31 -0.372 -16.766 12.063 1.00 74.34 H new ATOM 0 HG23 THR A 31 1.157 -17.298 12.803 1.00 74.34 H new ATOM 469 N GLU A 32 0.718 -14.055 9.218 1.00 34.32 N ATOM 470 CA GLU A 32 -0.243 -13.857 8.139 1.00 63.21 C ATOM 471 C GLU A 32 0.324 -14.347 6.809 1.00 21.15 C ATOM 472 O GLU A 32 -0.396 -14.455 5.816 1.00 34.23 O ATOM 473 CB GLU A 32 -0.623 -12.379 8.030 1.00 74.21 C ATOM 474 CG GLU A 32 -1.633 -11.932 9.074 1.00 62.11 C ATOM 475 CD GLU A 32 -3.059 -12.273 8.690 1.00 75.34 C ATOM 476 OE1 GLU A 32 -3.357 -13.475 8.522 1.00 41.30 O ATOM 477 OE2 GLU A 32 -3.878 -11.340 8.556 1.00 11.13 O ATOM 0 H GLU A 32 1.477 -13.373 9.238 1.00 34.32 H new ATOM 0 HA GLU A 32 -1.136 -14.438 8.370 1.00 63.21 H new ATOM 0 HB2 GLU A 32 0.278 -11.773 8.125 1.00 74.21 H new ATOM 0 HB3 GLU A 32 -1.031 -12.190 7.037 1.00 74.21 H new ATOM 0 HG2 GLU A 32 -1.396 -12.402 10.028 1.00 62.11 H new ATOM 0 HG3 GLU A 32 -1.547 -10.855 9.219 1.00 62.11 H new ATOM 484 N LEU A 33 1.619 -14.641 6.798 1.00 25.52 N ATOM 485 CA LEU A 33 2.285 -15.119 5.591 1.00 31.41 C ATOM 486 C LEU A 33 1.765 -16.497 5.192 1.00 41.32 C ATOM 487 O LEU A 33 1.516 -16.761 4.016 1.00 53.35 O ATOM 488 CB LEU A 33 3.798 -15.176 5.808 1.00 42.13 C ATOM 489 CG LEU A 33 4.480 -13.846 6.129 1.00 44.34 C ATOM 490 CD1 LEU A 33 5.593 -14.048 7.146 1.00 51.04 C ATOM 491 CD2 LEU A 33 5.025 -13.206 4.860 1.00 40.21 C ATOM 0 H LEU A 33 2.229 -14.557 7.611 1.00 25.52 H new ATOM 0 HA LEU A 33 2.066 -14.420 4.784 1.00 31.41 H new ATOM 0 HB2 LEU A 33 4.002 -15.872 6.622 1.00 42.13 H new ATOM 0 HB3 LEU A 33 4.258 -15.590 4.911 1.00 42.13 H new ATOM 0 HG LEU A 33 3.738 -13.175 6.561 1.00 44.34 H new ATOM 0 HD11 LEU A 33 6.067 -13.090 7.362 1.00 51.04 H new ATOM 0 HD12 LEU A 33 5.176 -14.462 8.064 1.00 51.04 H new ATOM 0 HD13 LEU A 33 6.335 -14.737 6.742 1.00 51.04 H new ATOM 0 HD21 LEU A 33 5.507 -12.260 5.108 1.00 40.21 H new ATOM 0 HD22 LEU A 33 5.752 -13.874 4.399 1.00 40.21 H new ATOM 0 HD23 LEU A 33 4.206 -13.025 4.163 1.00 40.21 H new ATOM 503 N VAL A 34 1.602 -17.371 6.180 1.00 72.25 N ATOM 504 CA VAL A 34 1.108 -18.721 5.932 1.00 2.41 C ATOM 505 C VAL A 34 -0.196 -18.693 5.143 1.00 41.41 C ATOM 506 O VAL A 34 -0.305 -19.261 4.056 1.00 13.03 O ATOM 507 CB VAL A 34 0.882 -19.486 7.249 1.00 12.25 C ATOM 508 CG1 VAL A 34 -0.255 -20.486 7.098 1.00 5.50 C ATOM 509 CG2 VAL A 34 2.161 -20.183 7.687 1.00 43.21 C ATOM 0 H VAL A 34 1.805 -17.169 7.159 1.00 72.25 H new ATOM 0 HA VAL A 34 1.871 -19.235 5.348 1.00 2.41 H new ATOM 0 HB VAL A 34 0.603 -18.769 8.021 1.00 12.25 H new ATOM 0 HG11 VAL A 34 -0.400 -21.017 8.039 1.00 5.50 H new ATOM 0 HG12 VAL A 34 -1.171 -19.958 6.835 1.00 5.50 H new ATOM 0 HG13 VAL A 34 -0.009 -21.200 6.312 1.00 5.50 H new ATOM 0 HG21 VAL A 34 1.983 -20.719 8.619 1.00 43.21 H new ATOM 0 HG22 VAL A 34 2.473 -20.889 6.917 1.00 43.21 H new ATOM 0 HG23 VAL A 34 2.946 -19.442 7.839 1.00 43.21 H new ATOM 519 N PRO A 35 -1.210 -18.015 5.700 1.00 14.14 N ATOM 520 CA PRO A 35 -2.526 -17.895 5.065 1.00 31.12 C ATOM 521 C PRO A 35 -2.491 -17.013 3.822 1.00 73.33 C ATOM 522 O PRO A 35 -3.414 -17.036 3.007 1.00 62.52 O ATOM 523 CB PRO A 35 -3.388 -17.251 6.154 1.00 51.13 C ATOM 524 CG PRO A 35 -2.422 -16.510 7.013 1.00 74.40 C ATOM 525 CD PRO A 35 -1.151 -17.313 6.994 1.00 61.05 C ATOM 0 HA PRO A 35 -2.901 -18.858 4.719 1.00 31.12 H new ATOM 0 HB2 PRO A 35 -4.132 -16.580 5.725 1.00 51.13 H new ATOM 0 HB3 PRO A 35 -3.930 -18.004 6.726 1.00 51.13 H new ATOM 0 HG2 PRO A 35 -2.253 -15.503 6.631 1.00 74.40 H new ATOM 0 HG3 PRO A 35 -2.803 -16.406 8.029 1.00 74.40 H new ATOM 0 HD2 PRO A 35 -0.271 -16.674 7.065 1.00 61.05 H new ATOM 0 HD3 PRO A 35 -1.105 -18.012 7.829 1.00 61.05 H new ATOM 533 N ARG A 36 -1.422 -16.237 3.682 1.00 24.10 N ATOM 534 CA ARG A 36 -1.268 -15.347 2.538 1.00 64.03 C ATOM 535 C ARG A 36 -0.584 -16.066 1.378 1.00 12.30 C ATOM 536 O ARG A 36 -0.222 -15.446 0.377 1.00 61.53 O ATOM 537 CB ARG A 36 -0.459 -14.110 2.932 1.00 13.52 C ATOM 538 CG ARG A 36 -1.304 -12.993 3.524 1.00 33.42 C ATOM 539 CD ARG A 36 -0.439 -11.920 4.165 1.00 51.51 C ATOM 540 NE ARG A 36 -1.056 -10.598 4.082 1.00 64.21 N ATOM 541 CZ ARG A 36 -2.154 -10.257 4.746 1.00 12.10 C ATOM 542 NH1 ARG A 36 -2.754 -11.135 5.538 1.00 3.12 N ATOM 543 NH2 ARG A 36 -2.655 -9.035 4.619 1.00 51.33 N ATOM 0 H ARG A 36 -0.649 -16.207 4.347 1.00 24.10 H new ATOM 0 HA ARG A 36 -2.262 -15.036 2.216 1.00 64.03 H new ATOM 0 HB2 ARG A 36 0.303 -14.400 3.655 1.00 13.52 H new ATOM 0 HB3 ARG A 36 0.063 -13.732 2.053 1.00 13.52 H new ATOM 0 HG2 ARG A 36 -1.919 -12.547 2.742 1.00 33.42 H new ATOM 0 HG3 ARG A 36 -1.985 -13.406 4.268 1.00 33.42 H new ATOM 0 HD2 ARG A 36 -0.263 -12.173 5.211 1.00 51.51 H new ATOM 0 HD3 ARG A 36 0.534 -11.898 3.674 1.00 51.51 H new ATOM 0 HE ARG A 36 -0.619 -9.899 3.481 1.00 64.21 H new ATOM 0 HH11 ARG A 36 -2.372 -12.075 5.639 1.00 3.12 H new ATOM 0 HH12 ARG A 36 -3.597 -10.870 6.047 1.00 3.12 H new ATOM 0 HH21 ARG A 36 -2.197 -8.357 4.011 1.00 51.33 H new ATOM 0 HH22 ARG A 36 -3.499 -8.774 5.130 1.00 51.33 H new ATOM 557 N LEU A 37 -0.411 -17.375 1.520 1.00 5.03 N ATOM 558 CA LEU A 37 0.230 -18.179 0.485 1.00 50.20 C ATOM 559 C LEU A 37 1.512 -17.514 -0.006 1.00 11.44 C ATOM 560 O LEU A 37 1.682 -17.276 -1.202 1.00 11.34 O ATOM 561 CB LEU A 37 -0.728 -18.393 -0.688 1.00 53.30 C ATOM 562 CG LEU A 37 -1.734 -19.534 -0.534 1.00 21.24 C ATOM 563 CD1 LEU A 37 -1.013 -20.865 -0.390 1.00 24.33 C ATOM 564 CD2 LEU A 37 -2.643 -19.286 0.661 1.00 22.24 C ATOM 0 H LEU A 37 -0.706 -17.903 2.342 1.00 5.03 H new ATOM 0 HA LEU A 37 0.487 -19.146 0.918 1.00 50.20 H new ATOM 0 HB2 LEU A 37 -1.281 -17.468 -0.853 1.00 53.30 H new ATOM 0 HB3 LEU A 37 -0.137 -18.575 -1.585 1.00 53.30 H new ATOM 0 HG LEU A 37 -2.350 -19.573 -1.432 1.00 21.24 H new ATOM 0 HD11 LEU A 37 -1.745 -21.665 -0.281 1.00 24.33 H new ATOM 0 HD12 LEU A 37 -0.405 -21.047 -1.276 1.00 24.33 H new ATOM 0 HD13 LEU A 37 -0.372 -20.838 0.491 1.00 24.33 H new ATOM 0 HD21 LEU A 37 -3.353 -20.108 0.755 1.00 22.24 H new ATOM 0 HD22 LEU A 37 -2.042 -19.220 1.568 1.00 22.24 H new ATOM 0 HD23 LEU A 37 -3.187 -18.352 0.517 1.00 22.24 H new ATOM 576 N PHE A 38 2.413 -17.218 0.926 1.00 54.44 N ATOM 577 CA PHE A 38 3.680 -16.581 0.588 1.00 64.10 C ATOM 578 C PHE A 38 4.589 -17.546 -0.169 1.00 12.21 C ATOM 579 O PHE A 38 4.756 -18.699 0.229 1.00 4.30 O ATOM 580 CB PHE A 38 4.382 -16.090 1.856 1.00 65.22 C ATOM 581 CG PHE A 38 5.114 -14.791 1.671 1.00 31.43 C ATOM 582 CD1 PHE A 38 4.435 -13.585 1.729 1.00 5.32 C ATOM 583 CD2 PHE A 38 6.480 -14.777 1.439 1.00 31.24 C ATOM 584 CE1 PHE A 38 5.106 -12.388 1.560 1.00 14.43 C ATOM 585 CE2 PHE A 38 7.155 -13.583 1.270 1.00 23.42 C ATOM 586 CZ PHE A 38 6.467 -12.387 1.329 1.00 22.24 C ATOM 0 H PHE A 38 2.289 -17.409 1.920 1.00 54.44 H new ATOM 0 HA PHE A 38 3.469 -15.727 -0.056 1.00 64.10 H new ATOM 0 HB2 PHE A 38 3.643 -15.972 2.648 1.00 65.22 H new ATOM 0 HB3 PHE A 38 5.087 -16.851 2.189 1.00 65.22 H new ATOM 0 HD1 PHE A 38 3.370 -13.580 1.908 1.00 5.32 H new ATOM 0 HD2 PHE A 38 7.023 -15.709 1.390 1.00 31.24 H new ATOM 0 HE1 PHE A 38 4.566 -11.454 1.609 1.00 14.43 H new ATOM 0 HE2 PHE A 38 8.220 -13.585 1.092 1.00 23.42 H new ATOM 0 HZ PHE A 38 6.993 -11.453 1.195 1.00 22.24 H new ATOM 596 N ARG A 39 5.172 -17.065 -1.262 1.00 71.42 N ATOM 597 CA ARG A 39 6.062 -17.885 -2.076 1.00 55.43 C ATOM 598 C ARG A 39 7.102 -17.020 -2.783 1.00 75.32 C ATOM 599 O ARG A 39 6.817 -15.892 -3.185 1.00 50.01 O ATOM 600 CB ARG A 39 5.257 -18.679 -3.107 1.00 63.01 C ATOM 601 CG ARG A 39 4.923 -20.093 -2.660 1.00 53.23 C ATOM 602 CD ARG A 39 3.594 -20.559 -3.235 1.00 65.15 C ATOM 603 NE ARG A 39 3.753 -21.171 -4.552 1.00 72.01 N ATOM 604 CZ ARG A 39 4.312 -22.360 -4.747 1.00 44.24 C ATOM 605 NH1 ARG A 39 4.764 -23.061 -3.717 1.00 2.02 N ATOM 606 NH2 ARG A 39 4.420 -22.850 -5.976 1.00 5.22 N ATOM 0 H ARG A 39 5.044 -16.113 -1.604 1.00 71.42 H new ATOM 0 HA ARG A 39 6.581 -18.580 -1.416 1.00 55.43 H new ATOM 0 HB2 ARG A 39 4.331 -18.146 -3.321 1.00 63.01 H new ATOM 0 HB3 ARG A 39 5.821 -18.725 -4.039 1.00 63.01 H new ATOM 0 HG2 ARG A 39 5.715 -20.772 -2.975 1.00 53.23 H new ATOM 0 HG3 ARG A 39 4.884 -20.132 -1.571 1.00 53.23 H new ATOM 0 HD2 ARG A 39 3.136 -21.277 -2.554 1.00 65.15 H new ATOM 0 HD3 ARG A 39 2.913 -19.711 -3.309 1.00 65.15 H new ATOM 0 HE ARG A 39 3.416 -20.657 -5.366 1.00 72.01 H new ATOM 0 HH11 ARG A 39 4.683 -22.688 -2.771 1.00 2.02 H new ATOM 0 HH12 ARG A 39 5.193 -23.974 -3.870 1.00 2.02 H new ATOM 0 HH21 ARG A 39 4.074 -22.313 -6.771 1.00 5.22 H new ATOM 0 HH22 ARG A 39 4.849 -23.763 -6.125 1.00 5.22 H new ATOM 620 N VAL A 40 8.308 -17.558 -2.931 1.00 44.41 N ATOM 621 CA VAL A 40 9.391 -16.836 -3.590 1.00 31.25 C ATOM 622 C VAL A 40 9.615 -17.354 -5.006 1.00 32.22 C ATOM 623 O VAL A 40 9.494 -18.551 -5.266 1.00 55.34 O ATOM 624 CB VAL A 40 10.707 -16.954 -2.798 1.00 12.23 C ATOM 625 CG1 VAL A 40 11.833 -16.234 -3.523 1.00 40.54 C ATOM 626 CG2 VAL A 40 10.532 -16.405 -1.390 1.00 12.12 C ATOM 0 H VAL A 40 8.560 -18.491 -2.604 1.00 44.41 H new ATOM 0 HA VAL A 40 9.093 -15.788 -3.632 1.00 31.25 H new ATOM 0 HB VAL A 40 10.972 -18.009 -2.722 1.00 12.23 H new ATOM 0 HG11 VAL A 40 12.754 -16.328 -2.948 1.00 40.54 H new ATOM 0 HG12 VAL A 40 11.973 -16.677 -4.509 1.00 40.54 H new ATOM 0 HG13 VAL A 40 11.580 -15.179 -3.632 1.00 40.54 H new ATOM 0 HG21 VAL A 40 11.471 -16.496 -0.845 1.00 12.12 H new ATOM 0 HG22 VAL A 40 10.243 -15.355 -1.442 1.00 12.12 H new ATOM 0 HG23 VAL A 40 9.756 -16.970 -0.873 1.00 12.12 H new ATOM 636 N ALA A 41 9.943 -16.445 -5.918 1.00 13.34 N ATOM 637 CA ALA A 41 10.186 -16.810 -7.308 1.00 2.24 C ATOM 638 C ALA A 41 11.275 -15.937 -7.922 1.00 3.32 C ATOM 639 O ALA A 41 11.279 -14.718 -7.748 1.00 72.11 O ATOM 640 CB ALA A 41 8.901 -16.700 -8.115 1.00 23.10 C ATOM 0 H ALA A 41 10.047 -15.450 -5.719 1.00 13.34 H new ATOM 0 HA ALA A 41 10.529 -17.844 -7.332 1.00 2.24 H new ATOM 0 HB1 ALA A 41 9.097 -16.975 -9.151 1.00 23.10 H new ATOM 0 HB2 ALA A 41 8.150 -17.371 -7.697 1.00 23.10 H new ATOM 0 HB3 ALA A 41 8.533 -15.675 -8.076 1.00 23.10 H new ATOM 646 N SER A 42 12.199 -16.568 -8.640 1.00 34.11 N ATOM 647 CA SER A 42 13.296 -15.849 -9.276 1.00 51.23 C ATOM 648 C SER A 42 13.401 -16.215 -10.754 1.00 10.14 C ATOM 649 O SER A 42 12.934 -17.272 -11.179 1.00 13.33 O ATOM 650 CB SER A 42 14.616 -16.159 -8.567 1.00 52.53 C ATOM 651 OG SER A 42 15.670 -16.319 -9.500 1.00 63.22 O ATOM 0 H SER A 42 12.209 -17.576 -8.796 1.00 34.11 H new ATOM 0 HA SER A 42 13.092 -14.781 -9.198 1.00 51.23 H new ATOM 0 HB2 SER A 42 14.858 -15.353 -7.874 1.00 52.53 H new ATOM 0 HB3 SER A 42 14.510 -17.068 -7.974 1.00 52.53 H new ATOM 0 HG SER A 42 16.320 -15.595 -9.386 1.00 63.22 H new ATOM 657 N LYS A 43 14.018 -15.333 -11.533 1.00 22.04 N ATOM 658 CA LYS A 43 14.187 -15.561 -12.963 1.00 23.12 C ATOM 659 C LYS A 43 15.527 -16.230 -13.252 1.00 43.14 C ATOM 660 O LYS A 43 15.682 -16.921 -14.259 1.00 72.51 O ATOM 661 CB LYS A 43 14.090 -14.238 -13.726 1.00 71.42 C ATOM 662 CG LYS A 43 13.508 -14.383 -15.122 1.00 11.13 C ATOM 663 CD LYS A 43 14.047 -13.320 -16.064 1.00 3.43 C ATOM 664 CE LYS A 43 13.508 -11.941 -15.715 1.00 4.31 C ATOM 665 NZ LYS A 43 13.186 -11.147 -16.933 1.00 12.11 N ATOM 0 H LYS A 43 14.410 -14.453 -11.198 1.00 22.04 H new ATOM 0 HA LYS A 43 13.390 -16.225 -13.297 1.00 23.12 H new ATOM 0 HB2 LYS A 43 13.474 -13.543 -13.155 1.00 71.42 H new ATOM 0 HB3 LYS A 43 15.084 -13.797 -13.800 1.00 71.42 H new ATOM 0 HG2 LYS A 43 13.744 -15.372 -15.515 1.00 11.13 H new ATOM 0 HG3 LYS A 43 12.421 -14.310 -15.074 1.00 11.13 H new ATOM 0 HD2 LYS A 43 15.136 -13.309 -16.017 1.00 3.43 H new ATOM 0 HD3 LYS A 43 13.775 -13.569 -17.090 1.00 3.43 H new ATOM 0 HE2 LYS A 43 12.613 -12.045 -15.102 1.00 4.31 H new ATOM 0 HE3 LYS A 43 14.244 -11.405 -15.116 1.00 4.31 H new ATOM 0 HZ1 LYS A 43 12.822 -10.214 -16.653 1.00 12.11 H new ATOM 0 HZ2 LYS A 43 14.046 -11.025 -17.505 1.00 12.11 H new ATOM 0 HZ3 LYS A 43 12.465 -11.646 -17.492 1.00 12.11 H new ATOM 679 N ASP A 44 16.492 -16.020 -12.364 1.00 20.44 N ATOM 680 CA ASP A 44 17.818 -16.605 -12.523 1.00 24.34 C ATOM 681 C ASP A 44 17.759 -18.126 -12.411 1.00 12.45 C ATOM 682 O ASP A 44 17.819 -18.835 -13.415 1.00 53.31 O ATOM 683 CB ASP A 44 18.777 -16.041 -11.473 1.00 22.31 C ATOM 684 CG ASP A 44 19.698 -14.979 -12.041 1.00 70.40 C ATOM 685 OD1 ASP A 44 19.208 -14.110 -12.791 1.00 2.50 O ATOM 686 OD2 ASP A 44 20.909 -15.019 -11.736 1.00 53.44 O ATOM 0 H ASP A 44 16.381 -15.449 -11.526 1.00 20.44 H new ATOM 0 HA ASP A 44 18.185 -16.346 -13.516 1.00 24.34 H new ATOM 0 HB2 ASP A 44 18.202 -15.616 -10.650 1.00 22.31 H new ATOM 0 HB3 ASP A 44 19.375 -16.852 -11.058 1.00 22.31 H new ATOM 691 N ARG A 45 17.642 -18.619 -11.182 1.00 73.11 N ATOM 692 CA ARG A 45 17.577 -20.055 -10.939 1.00 34.03 C ATOM 693 C ARG A 45 16.260 -20.433 -10.266 1.00 70.35 C ATOM 694 O ARG A 45 15.858 -21.596 -10.276 1.00 21.03 O ATOM 695 CB ARG A 45 18.753 -20.500 -10.067 1.00 73.05 C ATOM 696 CG ARG A 45 20.030 -20.752 -10.851 1.00 43.33 C ATOM 697 CD ARG A 45 21.215 -20.025 -10.234 1.00 52.42 C ATOM 698 NE ARG A 45 22.490 -20.538 -10.728 1.00 32.12 N ATOM 699 CZ ARG A 45 23.655 -19.936 -10.519 1.00 1.40 C ATOM 700 NH1 ARG A 45 23.706 -18.804 -9.829 1.00 61.52 N ATOM 701 NH2 ARG A 45 24.773 -20.465 -11.000 1.00 53.12 N ATOM 0 H ARG A 45 17.590 -18.046 -10.340 1.00 73.11 H new ATOM 0 HA ARG A 45 17.634 -20.564 -11.901 1.00 34.03 H new ATOM 0 HB2 ARG A 45 18.944 -19.737 -9.313 1.00 73.05 H new ATOM 0 HB3 ARG A 45 18.477 -21.411 -9.536 1.00 73.05 H new ATOM 0 HG2 ARG A 45 20.234 -21.822 -10.882 1.00 43.33 H new ATOM 0 HG3 ARG A 45 19.896 -20.423 -11.882 1.00 43.33 H new ATOM 0 HD2 ARG A 45 21.142 -18.960 -10.456 1.00 52.42 H new ATOM 0 HD3 ARG A 45 21.179 -20.128 -9.149 1.00 52.42 H new ATOM 0 HE ARG A 45 22.485 -21.406 -11.263 1.00 32.12 H new ATOM 0 HH11 ARG A 45 22.849 -18.394 -9.458 1.00 61.52 H new ATOM 0 HH12 ARG A 45 24.602 -18.344 -9.670 1.00 61.52 H new ATOM 0 HH21 ARG A 45 24.738 -21.335 -11.531 1.00 53.12 H new ATOM 0 HH22 ARG A 45 25.667 -20.001 -10.839 1.00 53.12 H new ATOM 715 N GLY A 46 15.593 -19.442 -9.683 1.00 31.10 N ATOM 716 CA GLY A 46 14.330 -19.691 -9.014 1.00 34.23 C ATOM 717 C GLY A 46 14.511 -20.090 -7.563 1.00 20.04 C ATOM 718 O GLY A 46 13.553 -20.097 -6.789 1.00 61.13 O ATOM 0 H GLY A 46 15.905 -18.471 -9.662 1.00 31.10 H new ATOM 0 HA2 GLY A 46 13.712 -18.795 -9.067 1.00 34.23 H new ATOM 0 HA3 GLY A 46 13.793 -20.480 -9.540 1.00 34.23 H new ATOM 722 N ASP A 47 15.742 -20.424 -7.192 1.00 61.52 N ATOM 723 CA ASP A 47 16.046 -20.827 -5.824 1.00 61.30 C ATOM 724 C ASP A 47 17.326 -20.159 -5.332 1.00 50.53 C ATOM 725 O ASP A 47 18.340 -20.822 -5.109 1.00 54.11 O ATOM 726 CB ASP A 47 16.184 -22.348 -5.736 1.00 64.02 C ATOM 727 CG ASP A 47 14.842 -23.053 -5.745 1.00 1.22 C ATOM 728 OD1 ASP A 47 14.097 -22.922 -4.751 1.00 65.01 O ATOM 729 OD2 ASP A 47 14.537 -23.736 -6.745 1.00 13.01 O ATOM 0 H ASP A 47 16.546 -20.424 -7.820 1.00 61.52 H new ATOM 0 HA ASP A 47 15.222 -20.507 -5.186 1.00 61.30 H new ATOM 0 HB2 ASP A 47 16.784 -22.704 -6.573 1.00 64.02 H new ATOM 0 HB3 ASP A 47 16.722 -22.609 -4.825 1.00 64.02 H new ATOM 734 N LEU A 48 17.273 -18.842 -5.166 1.00 40.44 N ATOM 735 CA LEU A 48 18.429 -18.082 -4.702 1.00 14.11 C ATOM 736 C LEU A 48 18.338 -17.815 -3.203 1.00 11.21 C ATOM 737 O LEU A 48 19.320 -17.965 -2.474 1.00 53.32 O ATOM 738 CB LEU A 48 18.533 -16.758 -5.462 1.00 35.40 C ATOM 739 CG LEU A 48 18.930 -16.860 -6.935 1.00 51.20 C ATOM 740 CD1 LEU A 48 17.755 -17.341 -7.773 1.00 4.12 C ATOM 741 CD2 LEU A 48 19.437 -15.518 -7.444 1.00 74.33 C ATOM 0 H LEU A 48 16.442 -18.278 -5.346 1.00 40.44 H new ATOM 0 HA LEU A 48 19.323 -18.675 -4.894 1.00 14.11 H new ATOM 0 HB2 LEU A 48 17.571 -16.250 -5.400 1.00 35.40 H new ATOM 0 HB3 LEU A 48 19.261 -16.126 -4.953 1.00 35.40 H new ATOM 0 HG LEU A 48 19.736 -17.589 -7.025 1.00 51.20 H new ATOM 0 HD11 LEU A 48 18.057 -17.407 -8.818 1.00 4.12 H new ATOM 0 HD12 LEU A 48 17.437 -18.323 -7.424 1.00 4.12 H new ATOM 0 HD13 LEU A 48 16.928 -16.637 -7.678 1.00 4.12 H new ATOM 0 HD21 LEU A 48 19.715 -15.609 -8.494 1.00 74.33 H new ATOM 0 HD22 LEU A 48 18.652 -14.769 -7.340 1.00 74.33 H new ATOM 0 HD23 LEU A 48 20.308 -15.214 -6.863 1.00 74.33 H new ATOM 753 N LEU A 49 17.154 -17.421 -2.748 1.00 53.52 N ATOM 754 CA LEU A 49 16.933 -17.135 -1.335 1.00 5.43 C ATOM 755 C LEU A 49 15.529 -17.550 -0.908 1.00 2.35 C ATOM 756 O LEU A 49 14.638 -17.706 -1.741 1.00 52.13 O ATOM 757 CB LEU A 49 17.144 -15.645 -1.056 1.00 62.34 C ATOM 758 CG LEU A 49 18.596 -15.167 -1.024 1.00 23.51 C ATOM 759 CD1 LEU A 49 19.108 -14.918 -2.434 1.00 71.02 C ATOM 760 CD2 LEU A 49 18.725 -13.909 -0.178 1.00 31.33 C ATOM 0 H LEU A 49 16.332 -17.292 -3.338 1.00 53.52 H new ATOM 0 HA LEU A 49 17.654 -17.712 -0.756 1.00 5.43 H new ATOM 0 HB2 LEU A 49 16.611 -15.074 -1.817 1.00 62.34 H new ATOM 0 HB3 LEU A 49 16.683 -15.406 -0.098 1.00 62.34 H new ATOM 0 HG LEU A 49 19.205 -15.949 -0.572 1.00 23.51 H new ATOM 0 HD11 LEU A 49 20.143 -14.578 -2.391 1.00 71.02 H new ATOM 0 HD12 LEU A 49 19.053 -15.842 -3.010 1.00 71.02 H new ATOM 0 HD13 LEU A 49 18.496 -14.155 -2.914 1.00 71.02 H new ATOM 0 HD21 LEU A 49 19.765 -13.583 -0.167 1.00 31.33 H new ATOM 0 HD22 LEU A 49 18.102 -13.121 -0.601 1.00 31.33 H new ATOM 0 HD23 LEU A 49 18.400 -14.121 0.841 1.00 31.33 H new ATOM 772 N GLU A 50 15.340 -17.725 0.397 1.00 43.43 N ATOM 773 CA GLU A 50 14.044 -18.120 0.934 1.00 55.03 C ATOM 774 C GLU A 50 13.761 -17.408 2.254 1.00 43.04 C ATOM 775 O GLU A 50 14.671 -17.157 3.044 1.00 64.32 O ATOM 776 CB GLU A 50 13.992 -19.635 1.138 1.00 72.50 C ATOM 777 CG GLU A 50 13.484 -20.396 -0.076 1.00 23.25 C ATOM 778 CD GLU A 50 12.047 -20.854 0.082 1.00 23.11 C ATOM 779 OE1 GLU A 50 11.831 -21.947 0.645 1.00 32.32 O ATOM 780 OE2 GLU A 50 11.139 -20.118 -0.358 1.00 22.21 O ATOM 0 H GLU A 50 16.068 -17.599 1.100 1.00 43.43 H new ATOM 0 HA GLU A 50 13.278 -17.831 0.214 1.00 55.03 H new ATOM 0 HB2 GLU A 50 14.990 -19.994 1.390 1.00 72.50 H new ATOM 0 HB3 GLU A 50 13.349 -19.857 1.990 1.00 72.50 H new ATOM 0 HG2 GLU A 50 13.564 -19.761 -0.958 1.00 23.25 H new ATOM 0 HG3 GLU A 50 14.121 -21.263 -0.249 1.00 23.25 H new ATOM 787 N VAL A 51 12.493 -17.084 2.485 1.00 30.01 N ATOM 788 CA VAL A 51 12.089 -16.401 3.709 1.00 63.54 C ATOM 789 C VAL A 51 11.558 -17.390 4.740 1.00 71.51 C ATOM 790 O VAL A 51 10.902 -18.372 4.393 1.00 4.02 O ATOM 791 CB VAL A 51 11.010 -15.339 3.429 1.00 71.04 C ATOM 792 CG1 VAL A 51 9.855 -15.944 2.645 1.00 20.44 C ATOM 793 CG2 VAL A 51 10.518 -14.724 4.730 1.00 30.11 C ATOM 0 H VAL A 51 11.728 -17.283 1.841 1.00 30.01 H new ATOM 0 HA VAL A 51 12.977 -15.909 4.105 1.00 63.54 H new ATOM 0 HB VAL A 51 11.452 -14.548 2.824 1.00 71.04 H new ATOM 0 HG11 VAL A 51 9.102 -15.178 2.457 1.00 20.44 H new ATOM 0 HG12 VAL A 51 10.224 -16.332 1.695 1.00 20.44 H new ATOM 0 HG13 VAL A 51 9.410 -16.756 3.221 1.00 20.44 H new ATOM 0 HG21 VAL A 51 9.756 -13.976 4.513 1.00 30.11 H new ATOM 0 HG22 VAL A 51 10.092 -15.503 5.362 1.00 30.11 H new ATOM 0 HG23 VAL A 51 11.353 -14.252 5.248 1.00 30.11 H new ATOM 803 N ASN A 52 11.845 -17.124 6.010 1.00 63.20 N ATOM 804 CA ASN A 52 11.396 -17.991 7.093 1.00 30.22 C ATOM 805 C ASN A 52 10.162 -17.411 7.778 1.00 22.20 C ATOM 806 O ASN A 52 10.189 -16.288 8.284 1.00 64.32 O ATOM 807 CB ASN A 52 12.517 -18.186 8.116 1.00 33.25 C ATOM 808 CG ASN A 52 12.116 -19.120 9.242 1.00 72.20 C ATOM 809 OD1 ASN A 52 11.050 -19.735 9.203 1.00 21.42 O ATOM 810 ND2 ASN A 52 12.971 -19.230 10.252 1.00 15.13 N ATOM 0 H ASN A 52 12.386 -16.315 6.314 1.00 63.20 H new ATOM 0 HA ASN A 52 11.131 -18.958 6.665 1.00 30.22 H new ATOM 0 HB2 ASN A 52 13.398 -18.584 7.614 1.00 33.25 H new ATOM 0 HB3 ASN A 52 12.797 -17.219 8.532 1.00 33.25 H new ATOM 0 HD21 ASN A 52 12.756 -19.844 11.038 1.00 15.13 H new ATOM 0 HD22 ASN A 52 13.843 -18.701 10.242 1.00 15.13 H new ATOM 817 N LEU A 53 9.082 -18.184 7.791 1.00 14.21 N ATOM 818 CA LEU A 53 7.837 -17.748 8.415 1.00 51.14 C ATOM 819 C LEU A 53 7.962 -17.744 9.935 1.00 54.32 C ATOM 820 O LEU A 53 7.066 -17.278 10.639 1.00 42.33 O ATOM 821 CB LEU A 53 6.684 -18.658 7.989 1.00 71.44 C ATOM 822 CG LEU A 53 6.160 -18.457 6.566 1.00 20.12 C ATOM 823 CD1 LEU A 53 6.662 -19.563 5.651 1.00 41.11 C ATOM 824 CD2 LEU A 53 4.639 -18.407 6.560 1.00 1.32 C ATOM 0 H LEU A 53 9.043 -19.115 7.377 1.00 14.21 H new ATOM 0 HA LEU A 53 7.630 -16.731 8.083 1.00 51.14 H new ATOM 0 HB2 LEU A 53 7.008 -19.694 8.093 1.00 71.44 H new ATOM 0 HB3 LEU A 53 5.857 -18.512 8.683 1.00 71.44 H new ATOM 0 HG LEU A 53 6.537 -17.505 6.192 1.00 20.12 H new ATOM 0 HD11 LEU A 53 6.279 -19.403 4.643 1.00 41.11 H new ATOM 0 HD12 LEU A 53 7.752 -19.552 5.631 1.00 41.11 H new ATOM 0 HD13 LEU A 53 6.316 -20.528 6.022 1.00 41.11 H new ATOM 0 HD21 LEU A 53 4.284 -18.263 5.540 1.00 1.32 H new ATOM 0 HD22 LEU A 53 4.243 -19.343 6.954 1.00 1.32 H new ATOM 0 HD23 LEU A 53 4.300 -17.579 7.182 1.00 1.32 H new ATOM 836 N GLN A 54 9.079 -18.264 10.433 1.00 15.02 N ATOM 837 CA GLN A 54 9.320 -18.318 11.870 1.00 25.40 C ATOM 838 C GLN A 54 9.455 -16.916 12.453 1.00 43.51 C ATOM 839 O GLN A 54 8.724 -16.540 13.368 1.00 31.41 O ATOM 840 CB GLN A 54 10.583 -19.130 12.166 1.00 40.14 C ATOM 841 CG GLN A 54 10.616 -19.714 13.569 1.00 62.25 C ATOM 842 CD GLN A 54 10.920 -18.673 14.627 1.00 14.35 C ATOM 843 OE1 GLN A 54 10.168 -18.512 15.590 1.00 42.33 O ATOM 844 NE2 GLN A 54 12.026 -17.958 14.456 1.00 73.31 N ATOM 0 H GLN A 54 9.830 -18.653 9.864 1.00 15.02 H new ATOM 0 HA GLN A 54 8.465 -18.805 12.338 1.00 25.40 H new ATOM 0 HB2 GLN A 54 10.661 -19.941 11.442 1.00 40.14 H new ATOM 0 HB3 GLN A 54 11.456 -18.492 12.026 1.00 40.14 H new ATOM 0 HG2 GLN A 54 9.655 -20.179 13.788 1.00 62.25 H new ATOM 0 HG3 GLN A 54 11.368 -20.502 13.613 1.00 62.25 H new ATOM 0 HE21 GLN A 54 12.620 -18.124 13.644 1.00 73.31 H new ATOM 0 HE22 GLN A 54 12.281 -17.243 15.137 1.00 73.31 H new ATOM 853 N ASN A 55 10.396 -16.145 11.916 1.00 30.02 N ATOM 854 CA ASN A 55 10.627 -14.783 12.384 1.00 24.21 C ATOM 855 C ASN A 55 10.379 -13.775 11.267 1.00 52.52 C ATOM 856 O ASN A 55 10.015 -12.627 11.522 1.00 60.25 O ATOM 857 CB ASN A 55 12.057 -14.638 12.909 1.00 63.02 C ATOM 858 CG ASN A 55 12.101 -14.123 14.334 1.00 15.14 C ATOM 859 OD1 ASN A 55 11.192 -13.423 14.781 1.00 13.31 O ATOM 860 ND2 ASN A 55 13.160 -14.468 15.056 1.00 24.02 N ATOM 0 H ASN A 55 11.010 -16.440 11.157 1.00 30.02 H new ATOM 0 HA ASN A 55 9.927 -14.580 13.194 1.00 24.21 H new ATOM 0 HB2 ASN A 55 12.559 -15.604 12.859 1.00 63.02 H new ATOM 0 HB3 ASN A 55 12.611 -13.957 12.263 1.00 63.02 H new ATOM 0 HD21 ASN A 55 13.244 -14.151 16.022 1.00 24.02 H new ATOM 0 HD22 ASN A 55 13.890 -15.050 14.645 1.00 24.02 H new ATOM 867 N GLY A 56 10.578 -14.212 10.027 1.00 53.21 N ATOM 868 CA GLY A 56 10.370 -13.335 8.889 1.00 22.30 C ATOM 869 C GLY A 56 11.672 -12.914 8.237 1.00 1.41 C ATOM 870 O GLY A 56 11.670 -12.329 7.153 1.00 2.35 O ATOM 0 H GLY A 56 10.879 -15.157 9.790 1.00 53.21 H new ATOM 0 HA2 GLY A 56 9.746 -13.842 8.153 1.00 22.30 H new ATOM 0 HA3 GLY A 56 9.825 -12.448 9.212 1.00 22.30 H new ATOM 874 N ILE A 57 12.786 -13.209 8.899 1.00 50.15 N ATOM 875 CA ILE A 57 14.100 -12.856 8.376 1.00 2.45 C ATOM 876 C ILE A 57 14.403 -13.616 7.090 1.00 24.21 C ATOM 877 O ILE A 57 13.921 -14.731 6.887 1.00 61.24 O ATOM 878 CB ILE A 57 15.210 -13.144 9.404 1.00 24.41 C ATOM 879 CG1 ILE A 57 16.544 -12.568 8.923 1.00 74.34 C ATOM 880 CG2 ILE A 57 15.331 -14.641 9.647 1.00 31.40 C ATOM 881 CD1 ILE A 57 16.492 -11.084 8.634 1.00 33.32 C ATOM 0 H ILE A 57 12.805 -13.691 9.798 1.00 50.15 H new ATOM 0 HA ILE A 57 14.079 -11.787 8.166 1.00 2.45 H new ATOM 0 HB ILE A 57 14.946 -12.662 10.345 1.00 24.41 H new ATOM 0 HG12 ILE A 57 17.306 -12.756 9.680 1.00 74.34 H new ATOM 0 HG13 ILE A 57 16.854 -13.095 8.021 1.00 74.34 H new ATOM 0 HG21 ILE A 57 16.120 -14.829 10.376 1.00 31.40 H new ATOM 0 HG22 ILE A 57 14.385 -15.025 10.029 1.00 31.40 H new ATOM 0 HG23 ILE A 57 15.575 -15.143 8.711 1.00 31.40 H new ATOM 0 HD11 ILE A 57 17.472 -10.744 8.298 1.00 33.32 H new ATOM 0 HD12 ILE A 57 15.754 -10.891 7.856 1.00 33.32 H new ATOM 0 HD13 ILE A 57 16.213 -10.546 9.540 1.00 33.32 H new ATOM 893 N LEU A 58 15.207 -13.007 6.225 1.00 73.42 N ATOM 894 CA LEU A 58 15.577 -13.628 4.957 1.00 10.34 C ATOM 895 C LEU A 58 16.917 -14.346 5.074 1.00 65.12 C ATOM 896 O LEU A 58 17.930 -13.740 5.425 1.00 20.01 O ATOM 897 CB LEU A 58 15.645 -12.573 3.851 1.00 31.15 C ATOM 898 CG LEU A 58 15.109 -12.999 2.484 1.00 65.10 C ATOM 899 CD1 LEU A 58 15.762 -14.297 2.036 1.00 64.51 C ATOM 900 CD2 LEU A 58 13.596 -13.148 2.527 1.00 73.32 C ATOM 0 H LEU A 58 15.615 -12.085 6.378 1.00 73.42 H new ATOM 0 HA LEU A 58 14.813 -14.363 4.703 1.00 10.34 H new ATOM 0 HB2 LEU A 58 15.089 -11.695 4.179 1.00 31.15 H new ATOM 0 HB3 LEU A 58 16.684 -12.266 3.732 1.00 31.15 H new ATOM 0 HG LEU A 58 15.357 -12.223 1.760 1.00 65.10 H new ATOM 0 HD11 LEU A 58 15.368 -14.585 1.061 1.00 64.51 H new ATOM 0 HD12 LEU A 58 16.840 -14.156 1.965 1.00 64.51 H new ATOM 0 HD13 LEU A 58 15.546 -15.082 2.761 1.00 64.51 H new ATOM 0 HD21 LEU A 58 13.232 -13.452 1.545 1.00 73.32 H new ATOM 0 HD22 LEU A 58 13.326 -13.904 3.264 1.00 73.32 H new ATOM 0 HD23 LEU A 58 13.144 -12.195 2.802 1.00 73.32 H new ATOM 912 N PHE A 59 16.917 -15.641 4.775 1.00 40.24 N ATOM 913 CA PHE A 59 18.133 -16.442 4.844 1.00 25.04 C ATOM 914 C PHE A 59 18.582 -16.873 3.451 1.00 52.42 C ATOM 915 O PHE A 59 17.764 -17.254 2.613 1.00 10.33 O ATOM 916 CB PHE A 59 17.908 -17.674 5.723 1.00 23.13 C ATOM 917 CG PHE A 59 16.776 -18.544 5.257 1.00 22.13 C ATOM 918 CD1 PHE A 59 15.485 -18.326 5.711 1.00 24.34 C ATOM 919 CD2 PHE A 59 17.003 -19.579 4.365 1.00 75.34 C ATOM 920 CE1 PHE A 59 14.442 -19.126 5.285 1.00 40.03 C ATOM 921 CE2 PHE A 59 15.963 -20.382 3.934 1.00 30.10 C ATOM 922 CZ PHE A 59 14.681 -20.154 4.394 1.00 31.30 C ATOM 0 H PHE A 59 16.088 -16.158 4.482 1.00 40.24 H new ATOM 0 HA PHE A 59 18.918 -15.827 5.285 1.00 25.04 H new ATOM 0 HB2 PHE A 59 18.824 -18.265 5.748 1.00 23.13 H new ATOM 0 HB3 PHE A 59 17.710 -17.350 6.745 1.00 23.13 H new ATOM 0 HD1 PHE A 59 15.292 -17.522 6.406 1.00 24.34 H new ATOM 0 HD2 PHE A 59 18.004 -19.761 4.002 1.00 75.34 H new ATOM 0 HE1 PHE A 59 13.441 -18.948 5.648 1.00 40.03 H new ATOM 0 HE2 PHE A 59 16.153 -21.186 3.239 1.00 30.10 H new ATOM 0 HZ PHE A 59 13.867 -20.778 4.058 1.00 31.30 H new ATOM 932 N VAL A 60 19.887 -16.808 3.210 1.00 64.25 N ATOM 933 CA VAL A 60 20.446 -17.192 1.918 1.00 1.55 C ATOM 934 C VAL A 60 20.284 -18.687 1.672 1.00 74.14 C ATOM 935 O VAL A 60 20.343 -19.490 2.602 1.00 55.02 O ATOM 936 CB VAL A 60 21.939 -16.826 1.822 1.00 1.31 C ATOM 937 CG1 VAL A 60 22.485 -17.169 0.445 1.00 64.33 C ATOM 938 CG2 VAL A 60 22.147 -15.352 2.135 1.00 43.43 C ATOM 0 H VAL A 60 20.577 -16.493 3.892 1.00 64.25 H new ATOM 0 HA VAL A 60 19.894 -16.640 1.157 1.00 1.55 H new ATOM 0 HB VAL A 60 22.487 -17.412 2.560 1.00 1.31 H new ATOM 0 HG11 VAL A 60 23.541 -16.903 0.396 1.00 64.33 H new ATOM 0 HG12 VAL A 60 22.371 -18.238 0.264 1.00 64.33 H new ATOM 0 HG13 VAL A 60 21.935 -16.612 -0.314 1.00 64.33 H new ATOM 0 HG21 VAL A 60 23.208 -15.111 2.063 1.00 43.43 H new ATOM 0 HG22 VAL A 60 21.588 -14.746 1.422 1.00 43.43 H new ATOM 0 HG23 VAL A 60 21.795 -15.141 3.145 1.00 43.43 H new ATOM 948 N ASN A 61 20.079 -19.054 0.411 1.00 61.43 N ATOM 949 CA ASN A 61 19.908 -20.455 0.041 1.00 50.44 C ATOM 950 C ASN A 61 20.447 -20.716 -1.363 1.00 31.25 C ATOM 951 O ASN A 61 19.773 -21.325 -2.194 1.00 2.41 O ATOM 952 CB ASN A 61 18.431 -20.846 0.113 1.00 54.02 C ATOM 953 CG ASN A 61 18.236 -22.308 0.464 1.00 64.53 C ATOM 954 OD1 ASN A 61 18.471 -22.722 1.599 1.00 24.31 O ATOM 955 ND2 ASN A 61 17.805 -23.099 -0.513 1.00 4.25 N ATOM 0 H ASN A 61 20.027 -18.402 -0.371 1.00 61.43 H new ATOM 0 HA ASN A 61 20.473 -21.064 0.747 1.00 50.44 H new ATOM 0 HB2 ASN A 61 17.930 -20.227 0.857 1.00 54.02 H new ATOM 0 HB3 ASN A 61 17.956 -20.639 -0.846 1.00 54.02 H new ATOM 0 HD21 ASN A 61 17.656 -24.093 -0.337 1.00 4.25 H new ATOM 0 HD22 ASN A 61 17.623 -22.713 -1.439 1.00 4.25 H new ATOM 962 N SER A 62 21.666 -20.253 -1.618 1.00 41.32 N ATOM 963 CA SER A 62 22.295 -20.433 -2.921 1.00 71.44 C ATOM 964 C SER A 62 23.739 -19.941 -2.901 1.00 31.43 C ATOM 965 O SER A 62 24.287 -19.637 -1.841 1.00 44.14 O ATOM 966 CB SER A 62 21.506 -19.688 -4.000 1.00 32.43 C ATOM 967 OG SER A 62 21.558 -18.287 -3.794 1.00 24.41 O ATOM 0 H SER A 62 22.238 -19.750 -0.939 1.00 41.32 H new ATOM 0 HA SER A 62 22.296 -21.498 -3.151 1.00 71.44 H new ATOM 0 HB2 SER A 62 21.911 -19.929 -4.983 1.00 32.43 H new ATOM 0 HB3 SER A 62 20.468 -20.022 -3.992 1.00 32.43 H new ATOM 0 HG SER A 62 20.815 -18.013 -3.217 1.00 24.41 H new ATOM 973 N ARG A 63 24.349 -19.867 -4.079 1.00 52.42 N ATOM 974 CA ARG A 63 25.729 -19.413 -4.198 1.00 23.14 C ATOM 975 C ARG A 63 25.790 -17.900 -4.388 1.00 22.40 C ATOM 976 O ARG A 63 25.204 -17.359 -5.325 1.00 55.05 O ATOM 977 CB ARG A 63 26.420 -20.114 -5.369 1.00 51.42 C ATOM 978 CG ARG A 63 26.211 -21.619 -5.387 1.00 65.12 C ATOM 979 CD ARG A 63 25.290 -22.040 -6.521 1.00 62.33 C ATOM 980 NE ARG A 63 24.848 -23.425 -6.382 1.00 22.32 N ATOM 981 CZ ARG A 63 23.919 -23.981 -7.151 1.00 72.11 C ATOM 982 NH1 ARG A 63 23.337 -23.274 -8.110 1.00 12.34 N ATOM 983 NH2 ARG A 63 23.570 -25.248 -6.963 1.00 2.54 N ATOM 0 H ARG A 63 23.909 -20.116 -4.965 1.00 52.42 H new ATOM 0 HA ARG A 63 26.249 -19.666 -3.274 1.00 23.14 H new ATOM 0 HB2 ARG A 63 26.049 -19.693 -6.303 1.00 51.42 H new ATOM 0 HB3 ARG A 63 27.489 -19.905 -5.327 1.00 51.42 H new ATOM 0 HG2 ARG A 63 27.173 -22.120 -5.493 1.00 65.12 H new ATOM 0 HG3 ARG A 63 25.788 -21.940 -4.435 1.00 65.12 H new ATOM 0 HD2 ARG A 63 24.421 -21.383 -6.545 1.00 62.33 H new ATOM 0 HD3 ARG A 63 25.808 -21.919 -7.472 1.00 62.33 H new ATOM 0 HE ARG A 63 25.276 -23.997 -5.654 1.00 22.32 H new ATOM 0 HH11 ARG A 63 23.603 -22.300 -8.259 1.00 12.34 H new ATOM 0 HH12 ARG A 63 22.624 -23.704 -8.699 1.00 12.34 H new ATOM 0 HH21 ARG A 63 24.016 -25.796 -6.227 1.00 2.54 H new ATOM 0 HH22 ARG A 63 22.856 -25.674 -7.555 1.00 2.54 H new ATOM 997 N ILE A 64 26.503 -17.225 -3.493 1.00 11.12 N ATOM 998 CA ILE A 64 26.641 -15.775 -3.563 1.00 75.51 C ATOM 999 C ILE A 64 28.048 -15.377 -3.992 1.00 65.25 C ATOM 1000 O ILE A 64 28.280 -14.249 -4.428 1.00 30.03 O ATOM 1001 CB ILE A 64 26.322 -15.114 -2.209 1.00 42.54 C ATOM 1002 CG1 ILE A 64 25.035 -15.696 -1.623 1.00 14.44 C ATOM 1003 CG2 ILE A 64 26.202 -13.606 -2.372 1.00 41.35 C ATOM 1004 CD1 ILE A 64 23.835 -15.549 -2.533 1.00 25.21 C ATOM 0 H ILE A 64 26.994 -17.658 -2.711 1.00 11.12 H new ATOM 0 HA ILE A 64 25.925 -15.425 -4.307 1.00 75.51 H new ATOM 0 HB ILE A 64 27.139 -15.322 -1.518 1.00 42.54 H new ATOM 0 HG12 ILE A 64 25.189 -16.753 -1.407 1.00 14.44 H new ATOM 0 HG13 ILE A 64 24.823 -15.204 -0.674 1.00 14.44 H new ATOM 0 HG21 ILE A 64 25.976 -13.153 -1.407 1.00 41.35 H new ATOM 0 HG22 ILE A 64 27.142 -13.205 -2.750 1.00 41.35 H new ATOM 0 HG23 ILE A 64 25.401 -13.379 -3.076 1.00 41.35 H new ATOM 0 HD11 ILE A 64 22.959 -15.984 -2.053 1.00 25.21 H new ATOM 0 HD12 ILE A 64 23.654 -14.492 -2.729 1.00 25.21 H new ATOM 0 HD13 ILE A 64 24.026 -16.065 -3.474 1.00 25.21 H new ATOM 1016 N ASP A 65 28.985 -16.311 -3.869 1.00 21.03 N ATOM 1017 CA ASP A 65 30.371 -16.059 -4.247 1.00 32.01 C ATOM 1018 C ASP A 65 30.449 -15.415 -5.627 1.00 53.43 C ATOM 1019 O ASP A 65 29.707 -15.784 -6.538 1.00 45.13 O ATOM 1020 CB ASP A 65 31.171 -17.363 -4.233 1.00 13.40 C ATOM 1021 CG ASP A 65 32.478 -17.232 -3.476 1.00 50.45 C ATOM 1022 OD1 ASP A 65 33.243 -16.290 -3.772 1.00 43.22 O ATOM 1023 OD2 ASP A 65 32.735 -18.070 -2.588 1.00 64.30 O ATOM 0 H ASP A 65 28.810 -17.250 -3.510 1.00 21.03 H new ATOM 0 HA ASP A 65 30.801 -15.370 -3.520 1.00 32.01 H new ATOM 0 HB2 ASP A 65 30.569 -18.150 -3.779 1.00 13.40 H new ATOM 0 HB3 ASP A 65 31.377 -17.670 -5.258 1.00 13.40 H new ATOM 1028 N ARG A 66 31.350 -14.449 -5.774 1.00 62.10 N ATOM 1029 CA ARG A 66 31.523 -13.752 -7.043 1.00 2.34 C ATOM 1030 C ARG A 66 31.646 -14.743 -8.196 1.00 32.32 C ATOM 1031 O ARG A 66 31.208 -14.468 -9.312 1.00 42.24 O ATOM 1032 CB ARG A 66 32.762 -12.856 -6.992 1.00 25.32 C ATOM 1033 CG ARG A 66 33.969 -13.522 -6.351 1.00 62.31 C ATOM 1034 CD ARG A 66 35.258 -13.147 -7.066 1.00 73.03 C ATOM 1035 NE ARG A 66 36.440 -13.579 -6.327 1.00 23.45 N ATOM 1036 CZ ARG A 66 36.908 -14.823 -6.350 1.00 11.51 C ATOM 1037 NH1 ARG A 66 36.296 -15.751 -7.073 1.00 5.14 N ATOM 1038 NH2 ARG A 66 37.990 -15.139 -5.650 1.00 12.01 N ATOM 0 H ARG A 66 31.971 -14.131 -5.030 1.00 62.10 H new ATOM 0 HA ARG A 66 30.642 -13.133 -7.212 1.00 2.34 H new ATOM 0 HB2 ARG A 66 33.022 -12.551 -8.006 1.00 25.32 H new ATOM 0 HB3 ARG A 66 32.521 -11.949 -6.438 1.00 25.32 H new ATOM 0 HG2 ARG A 66 34.034 -13.228 -5.303 1.00 62.31 H new ATOM 0 HG3 ARG A 66 33.842 -14.604 -6.371 1.00 62.31 H new ATOM 0 HD2 ARG A 66 35.266 -13.598 -8.058 1.00 73.03 H new ATOM 0 HD3 ARG A 66 35.293 -12.067 -7.206 1.00 73.03 H new ATOM 0 HE ARG A 66 36.934 -12.888 -5.762 1.00 23.45 H new ATOM 0 HH11 ARG A 66 35.465 -15.511 -7.613 1.00 5.14 H new ATOM 0 HH12 ARG A 66 36.657 -16.705 -7.089 1.00 5.14 H new ATOM 0 HH21 ARG A 66 38.463 -14.427 -5.094 1.00 12.01 H new ATOM 0 HH22 ARG A 66 38.348 -16.094 -5.668 1.00 12.01 H new ATOM 1052 N GLU A 67 32.244 -15.897 -7.917 1.00 4.04 N ATOM 1053 CA GLU A 67 32.426 -16.928 -8.932 1.00 35.25 C ATOM 1054 C GLU A 67 31.079 -17.427 -9.447 1.00 15.21 C ATOM 1055 O GLU A 67 30.878 -17.568 -10.653 1.00 0.13 O ATOM 1056 CB GLU A 67 33.231 -18.098 -8.363 1.00 65.25 C ATOM 1057 CG GLU A 67 33.799 -19.021 -9.429 1.00 54.12 C ATOM 1058 CD GLU A 67 34.645 -20.136 -8.845 1.00 51.55 C ATOM 1059 OE1 GLU A 67 34.699 -20.252 -7.603 1.00 41.05 O ATOM 1060 OE2 GLU A 67 35.253 -20.892 -9.632 1.00 0.22 O ATOM 0 H GLU A 67 32.610 -16.141 -6.997 1.00 4.04 H new ATOM 0 HA GLU A 67 32.975 -16.489 -9.765 1.00 35.25 H new ATOM 0 HB2 GLU A 67 34.050 -17.706 -7.760 1.00 65.25 H new ATOM 0 HB3 GLU A 67 32.593 -18.677 -7.696 1.00 65.25 H new ATOM 0 HG2 GLU A 67 32.980 -19.454 -10.003 1.00 54.12 H new ATOM 0 HG3 GLU A 67 34.403 -18.438 -10.125 1.00 54.12 H new ATOM 1067 N GLU A 68 30.160 -17.692 -8.524 1.00 34.24 N ATOM 1068 CA GLU A 68 28.833 -18.177 -8.885 1.00 15.43 C ATOM 1069 C GLU A 68 27.916 -17.018 -9.269 1.00 24.22 C ATOM 1070 O GLU A 68 27.358 -16.991 -10.367 1.00 2.35 O ATOM 1071 CB GLU A 68 28.219 -18.963 -7.724 1.00 62.13 C ATOM 1072 CG GLU A 68 28.919 -20.283 -7.446 1.00 40.23 C ATOM 1073 CD GLU A 68 30.053 -20.143 -6.450 1.00 22.05 C ATOM 1074 OE1 GLU A 68 29.776 -19.802 -5.280 1.00 71.34 O ATOM 1075 OE2 GLU A 68 31.217 -20.374 -6.838 1.00 1.10 O ATOM 0 H GLU A 68 30.310 -17.579 -7.521 1.00 34.24 H new ATOM 0 HA GLU A 68 28.938 -18.837 -9.746 1.00 15.43 H new ATOM 0 HB2 GLU A 68 28.249 -18.349 -6.824 1.00 62.13 H new ATOM 0 HB3 GLU A 68 27.169 -19.157 -7.943 1.00 62.13 H new ATOM 0 HG2 GLU A 68 28.193 -21.002 -7.066 1.00 40.23 H new ATOM 0 HG3 GLU A 68 29.309 -20.687 -8.380 1.00 40.23 H new ATOM 1082 N LEU A 69 27.766 -16.064 -8.357 1.00 51.43 N ATOM 1083 CA LEU A 69 26.917 -14.902 -8.599 1.00 1.00 C ATOM 1084 C LEU A 69 27.204 -14.293 -9.968 1.00 22.22 C ATOM 1085 O LEU A 69 26.399 -14.409 -10.892 1.00 72.10 O ATOM 1086 CB LEU A 69 27.131 -13.853 -7.506 1.00 45.05 C ATOM 1087 CG LEU A 69 25.868 -13.197 -6.949 1.00 31.04 C ATOM 1088 CD1 LEU A 69 25.171 -12.380 -8.025 1.00 74.13 C ATOM 1089 CD2 LEU A 69 24.926 -14.250 -6.382 1.00 5.44 C ATOM 0 H LEU A 69 28.221 -16.072 -7.444 1.00 51.43 H new ATOM 0 HA LEU A 69 25.878 -15.231 -8.579 1.00 1.00 H new ATOM 0 HB2 LEU A 69 27.667 -14.322 -6.681 1.00 45.05 H new ATOM 0 HB3 LEU A 69 27.778 -13.071 -7.903 1.00 45.05 H new ATOM 0 HG LEU A 69 26.157 -12.524 -6.142 1.00 31.04 H new ATOM 0 HD11 LEU A 69 24.274 -11.921 -7.609 1.00 74.13 H new ATOM 0 HD12 LEU A 69 25.844 -11.602 -8.384 1.00 74.13 H new ATOM 0 HD13 LEU A 69 24.894 -13.031 -8.854 1.00 74.13 H new ATOM 0 HD21 LEU A 69 24.032 -13.765 -5.990 1.00 5.44 H new ATOM 0 HD22 LEU A 69 24.644 -14.948 -7.170 1.00 5.44 H new ATOM 0 HD23 LEU A 69 25.427 -14.792 -5.580 1.00 5.44 H new ATOM 1101 N CYS A 70 28.358 -13.646 -10.091 1.00 50.34 N ATOM 1102 CA CYS A 70 28.753 -13.020 -11.347 1.00 44.23 C ATOM 1103 C CYS A 70 30.251 -12.727 -11.361 1.00 51.40 C ATOM 1104 O CYS A 70 30.966 -13.135 -12.275 1.00 30.53 O ATOM 1105 CB CYS A 70 27.967 -11.726 -11.566 1.00 41.22 C ATOM 1106 SG CYS A 70 27.576 -10.825 -10.032 1.00 11.11 S ATOM 0 H CYS A 70 29.036 -13.542 -9.336 1.00 50.34 H new ATOM 0 HA CYS A 70 28.529 -13.715 -12.157 1.00 44.23 H new ATOM 0 HB2 CYS A 70 28.540 -11.072 -12.223 1.00 41.22 H new ATOM 0 HB3 CYS A 70 27.037 -11.962 -12.084 1.00 41.22 H new ATOM 1111 N GLY A 71 30.718 -12.015 -10.340 1.00 5.32 N ATOM 1112 CA GLY A 71 32.128 -11.679 -10.253 1.00 54.23 C ATOM 1113 C GLY A 71 32.576 -10.766 -11.377 1.00 62.34 C ATOM 1114 O GLY A 71 33.774 -10.587 -11.600 1.00 13.12 O ATOM 0 H GLY A 71 30.146 -11.665 -9.572 1.00 5.32 H new ATOM 0 HA2 GLY A 71 32.325 -11.196 -9.296 1.00 54.23 H new ATOM 0 HA3 GLY A 71 32.719 -12.595 -10.275 1.00 54.23 H new ATOM 1118 N ARG A 72 31.613 -10.189 -12.089 1.00 65.41 N ATOM 1119 CA ARG A 72 31.916 -9.293 -13.198 1.00 51.13 C ATOM 1120 C ARG A 72 32.383 -7.933 -12.687 1.00 24.43 C ATOM 1121 O ARG A 72 33.571 -7.613 -12.741 1.00 73.23 O ATOM 1122 CB ARG A 72 30.686 -9.118 -14.091 1.00 31.41 C ATOM 1123 CG ARG A 72 30.735 -9.947 -15.364 1.00 40.24 C ATOM 1124 CD ARG A 72 30.720 -11.437 -15.061 1.00 14.34 C ATOM 1125 NE ARG A 72 29.703 -12.143 -15.836 1.00 44.12 N ATOM 1126 CZ ARG A 72 29.870 -12.514 -17.101 1.00 0.32 C ATOM 1127 NH1 ARG A 72 31.007 -12.247 -17.729 1.00 32.10 N ATOM 1128 NH2 ARG A 72 28.898 -13.153 -17.740 1.00 24.04 N ATOM 0 H ARG A 72 30.617 -10.326 -11.917 1.00 65.41 H new ATOM 0 HA ARG A 72 32.721 -9.739 -13.782 1.00 51.13 H new ATOM 0 HB2 ARG A 72 29.795 -9.389 -13.525 1.00 31.41 H new ATOM 0 HB3 ARG A 72 30.587 -8.065 -14.356 1.00 31.41 H new ATOM 0 HG2 ARG A 72 29.884 -9.695 -15.996 1.00 40.24 H new ATOM 0 HG3 ARG A 72 31.635 -9.698 -15.927 1.00 40.24 H new ATOM 0 HD2 ARG A 72 31.700 -11.861 -15.278 1.00 14.34 H new ATOM 0 HD3 ARG A 72 30.536 -11.589 -13.997 1.00 14.34 H new ATOM 0 HE ARG A 72 28.817 -12.363 -15.382 1.00 44.12 H new ATOM 0 HH11 ARG A 72 31.756 -11.756 -17.241 1.00 32.10 H new ATOM 0 HH12 ARG A 72 31.133 -12.533 -18.700 1.00 32.10 H new ATOM 0 HH21 ARG A 72 28.022 -13.360 -17.260 1.00 24.04 H new ATOM 0 HH22 ARG A 72 29.027 -13.437 -18.711 1.00 24.04 H new ATOM 1142 N SER A 73 31.441 -7.138 -12.190 1.00 43.23 N ATOM 1143 CA SER A 73 31.756 -5.811 -11.673 1.00 73.20 C ATOM 1144 C SER A 73 31.769 -5.812 -10.147 1.00 61.24 C ATOM 1145 O SER A 73 31.113 -6.635 -9.511 1.00 34.54 O ATOM 1146 CB SER A 73 30.741 -4.787 -12.185 1.00 33.32 C ATOM 1147 OG SER A 73 31.292 -3.482 -12.192 1.00 23.02 O ATOM 0 H SER A 73 30.454 -7.389 -12.134 1.00 43.23 H new ATOM 0 HA SER A 73 32.749 -5.536 -12.028 1.00 73.20 H new ATOM 0 HB2 SER A 73 30.424 -5.057 -13.193 1.00 33.32 H new ATOM 0 HB3 SER A 73 29.851 -4.806 -11.555 1.00 33.32 H new ATOM 0 HG SER A 73 30.624 -2.847 -12.525 1.00 23.02 H new ATOM 1153 N ALA A 74 32.522 -4.883 -9.568 1.00 23.10 N ATOM 1154 CA ALA A 74 32.620 -4.774 -8.118 1.00 25.42 C ATOM 1155 C ALA A 74 31.238 -4.712 -7.477 1.00 41.41 C ATOM 1156 O ALA A 74 31.050 -5.149 -6.343 1.00 31.15 O ATOM 1157 CB ALA A 74 33.438 -3.550 -7.734 1.00 40.25 C ATOM 0 H ALA A 74 33.073 -4.195 -10.081 1.00 23.10 H new ATOM 0 HA ALA A 74 33.125 -5.665 -7.745 1.00 25.42 H new ATOM 0 HB1 ALA A 74 33.503 -3.482 -6.648 1.00 40.25 H new ATOM 0 HB2 ALA A 74 34.441 -3.637 -8.152 1.00 40.25 H new ATOM 0 HB3 ALA A 74 32.957 -2.654 -8.126 1.00 40.25 H new ATOM 1163 N GLU A 75 30.275 -4.164 -8.212 1.00 33.14 N ATOM 1164 CA GLU A 75 28.910 -4.043 -7.713 1.00 31.23 C ATOM 1165 C GLU A 75 27.938 -4.827 -8.590 1.00 64.15 C ATOM 1166 O GLU A 75 27.688 -4.461 -9.739 1.00 60.33 O ATOM 1167 CB GLU A 75 28.492 -2.572 -7.658 1.00 33.42 C ATOM 1168 CG GLU A 75 28.685 -1.835 -8.972 1.00 71.12 C ATOM 1169 CD GLU A 75 28.597 -0.330 -8.815 1.00 41.50 C ATOM 1170 OE1 GLU A 75 27.564 0.154 -8.305 1.00 63.23 O ATOM 1171 OE2 GLU A 75 29.560 0.365 -9.201 1.00 50.25 O ATOM 0 H GLU A 75 30.415 -3.797 -9.154 1.00 33.14 H new ATOM 0 HA GLU A 75 28.880 -4.460 -6.706 1.00 31.23 H new ATOM 0 HB2 GLU A 75 27.443 -2.512 -7.368 1.00 33.42 H new ATOM 0 HB3 GLU A 75 29.067 -2.068 -6.881 1.00 33.42 H new ATOM 0 HG2 GLU A 75 29.656 -2.097 -9.392 1.00 71.12 H new ATOM 0 HG3 GLU A 75 27.930 -2.167 -9.685 1.00 71.12 H new ATOM 1178 N CYS A 76 27.394 -5.908 -8.041 1.00 41.23 N ATOM 1179 CA CYS A 76 26.451 -6.745 -8.772 1.00 60.34 C ATOM 1180 C CYS A 76 25.052 -6.642 -8.171 1.00 43.11 C ATOM 1181 O CYS A 76 24.863 -6.854 -6.973 1.00 50.34 O ATOM 1182 CB CYS A 76 26.916 -8.203 -8.762 1.00 3.34 C ATOM 1183 SG CYS A 76 27.145 -8.922 -10.419 1.00 62.44 S ATOM 0 H CYS A 76 27.590 -6.225 -7.092 1.00 41.23 H new ATOM 0 HA CYS A 76 26.412 -6.390 -9.802 1.00 60.34 H new ATOM 0 HB2 CYS A 76 27.857 -8.269 -8.216 1.00 3.34 H new ATOM 0 HB3 CYS A 76 26.187 -8.802 -8.215 1.00 3.34 H new ATOM 1188 N SER A 77 24.076 -6.315 -9.011 1.00 74.15 N ATOM 1189 CA SER A 77 22.695 -6.180 -8.563 1.00 73.01 C ATOM 1190 C SER A 77 21.876 -7.409 -8.947 1.00 22.12 C ATOM 1191 O SER A 77 22.087 -8.003 -10.005 1.00 10.12 O ATOM 1192 CB SER A 77 22.062 -4.924 -9.164 1.00 54.42 C ATOM 1193 OG SER A 77 22.676 -4.582 -10.394 1.00 41.44 O ATOM 0 H SER A 77 24.216 -6.139 -10.006 1.00 74.15 H new ATOM 0 HA SER A 77 22.699 -6.092 -7.477 1.00 73.01 H new ATOM 0 HB2 SER A 77 20.996 -5.089 -9.320 1.00 54.42 H new ATOM 0 HB3 SER A 77 22.157 -4.094 -8.463 1.00 54.42 H new ATOM 0 HG SER A 77 22.252 -3.777 -10.758 1.00 41.44 H new ATOM 1199 N ILE A 78 20.942 -7.784 -8.079 1.00 63.54 N ATOM 1200 CA ILE A 78 20.091 -8.942 -8.327 1.00 42.42 C ATOM 1201 C ILE A 78 18.617 -8.579 -8.187 1.00 74.44 C ATOM 1202 O ILE A 78 18.236 -7.808 -7.306 1.00 24.33 O ATOM 1203 CB ILE A 78 20.418 -10.097 -7.363 1.00 71.42 C ATOM 1204 CG1 ILE A 78 21.882 -10.515 -7.511 1.00 64.42 C ATOM 1205 CG2 ILE A 78 19.495 -11.279 -7.622 1.00 25.34 C ATOM 1206 CD1 ILE A 78 22.747 -10.114 -6.337 1.00 10.42 C ATOM 0 H ILE A 78 20.755 -7.304 -7.199 1.00 63.54 H new ATOM 0 HA ILE A 78 20.288 -9.266 -9.349 1.00 42.42 H new ATOM 0 HB ILE A 78 20.260 -9.754 -6.341 1.00 71.42 H new ATOM 0 HG12 ILE A 78 21.932 -11.597 -7.636 1.00 64.42 H new ATOM 0 HG13 ILE A 78 22.288 -10.071 -8.420 1.00 64.42 H new ATOM 0 HG21 ILE A 78 19.738 -12.088 -6.933 1.00 25.34 H new ATOM 0 HG22 ILE A 78 18.460 -10.972 -7.471 1.00 25.34 H new ATOM 0 HG23 ILE A 78 19.625 -11.624 -8.648 1.00 25.34 H new ATOM 0 HD11 ILE A 78 23.772 -10.443 -6.511 1.00 10.42 H new ATOM 0 HD12 ILE A 78 22.728 -9.030 -6.224 1.00 10.42 H new ATOM 0 HD13 ILE A 78 22.366 -10.580 -5.428 1.00 10.42 H new ATOM 1218 N HIS A 79 17.789 -9.142 -9.062 1.00 60.32 N ATOM 1219 CA HIS A 79 16.354 -8.881 -9.035 1.00 44.42 C ATOM 1220 C HIS A 79 15.578 -10.147 -8.686 1.00 54.52 C ATOM 1221 O HIS A 79 15.931 -11.244 -9.121 1.00 14.31 O ATOM 1222 CB HIS A 79 15.888 -8.338 -10.387 1.00 30.34 C ATOM 1223 CG HIS A 79 16.772 -7.262 -10.938 1.00 22.43 C ATOM 1224 ND1 HIS A 79 16.950 -7.053 -12.289 1.00 12.20 N ATOM 1225 CD2 HIS A 79 17.530 -6.332 -10.311 1.00 51.14 C ATOM 1226 CE1 HIS A 79 17.780 -6.041 -12.470 1.00 72.20 C ATOM 1227 NE2 HIS A 79 18.146 -5.586 -11.286 1.00 1.44 N ATOM 0 H HIS A 79 18.087 -9.782 -9.798 1.00 60.32 H new ATOM 0 HA HIS A 79 16.159 -8.134 -8.265 1.00 44.42 H new ATOM 0 HB2 HIS A 79 15.841 -9.159 -11.102 1.00 30.34 H new ATOM 0 HB3 HIS A 79 14.876 -7.947 -10.283 1.00 30.34 H new ATOM 0 HD2 HIS A 79 17.631 -6.201 -9.244 1.00 51.14 H new ATOM 0 HE1 HIS A 79 18.104 -5.652 -13.424 1.00 72.20 H new ATOM 0 HE2 HIS A 79 18.783 -4.807 -11.122 1.00 1.44 H new ATOM 1235 N LEU A 80 14.520 -9.987 -7.899 1.00 75.30 N ATOM 1236 CA LEU A 80 13.693 -11.118 -7.491 1.00 14.32 C ATOM 1237 C LEU A 80 12.222 -10.719 -7.421 1.00 31.40 C ATOM 1238 O LEU A 80 11.895 -9.546 -7.244 1.00 31.53 O ATOM 1239 CB LEU A 80 14.154 -11.648 -6.132 1.00 61.33 C ATOM 1240 CG LEU A 80 13.335 -12.799 -5.548 1.00 31.42 C ATOM 1241 CD1 LEU A 80 14.220 -13.718 -4.720 1.00 62.55 C ATOM 1242 CD2 LEU A 80 12.186 -12.263 -4.706 1.00 41.02 C ATOM 0 H LEU A 80 14.214 -9.086 -7.531 1.00 75.30 H new ATOM 0 HA LEU A 80 13.803 -11.905 -8.237 1.00 14.32 H new ATOM 0 HB2 LEU A 80 15.189 -11.976 -6.224 1.00 61.33 H new ATOM 0 HB3 LEU A 80 14.143 -10.823 -5.420 1.00 61.33 H new ATOM 0 HG LEU A 80 12.917 -13.376 -6.373 1.00 31.42 H new ATOM 0 HD11 LEU A 80 13.619 -14.531 -4.312 1.00 62.55 H new ATOM 0 HD12 LEU A 80 15.008 -14.130 -5.351 1.00 62.55 H new ATOM 0 HD13 LEU A 80 14.668 -13.153 -3.903 1.00 62.55 H new ATOM 0 HD21 LEU A 80 11.614 -13.096 -4.298 1.00 41.02 H new ATOM 0 HD22 LEU A 80 12.584 -11.662 -3.889 1.00 41.02 H new ATOM 0 HD23 LEU A 80 11.536 -11.646 -5.327 1.00 41.02 H new ATOM 1254 N GLU A 81 11.340 -11.704 -7.560 1.00 30.55 N ATOM 1255 CA GLU A 81 9.904 -11.456 -7.511 1.00 0.25 C ATOM 1256 C GLU A 81 9.226 -12.378 -6.501 1.00 3.32 C ATOM 1257 O GLU A 81 9.206 -13.597 -6.672 1.00 54.45 O ATOM 1258 CB GLU A 81 9.282 -11.652 -8.895 1.00 23.53 C ATOM 1259 CG GLU A 81 9.447 -10.452 -9.812 1.00 32.30 C ATOM 1260 CD GLU A 81 10.292 -10.762 -11.032 1.00 74.45 C ATOM 1261 OE1 GLU A 81 9.831 -11.544 -11.890 1.00 63.23 O ATOM 1262 OE2 GLU A 81 11.414 -10.222 -11.129 1.00 75.34 O ATOM 0 H GLU A 81 11.595 -12.681 -7.707 1.00 30.55 H new ATOM 0 HA GLU A 81 9.751 -10.424 -7.195 1.00 0.25 H new ATOM 0 HB2 GLU A 81 9.734 -12.524 -9.367 1.00 23.53 H new ATOM 0 HB3 GLU A 81 8.220 -11.867 -8.779 1.00 23.53 H new ATOM 0 HG2 GLU A 81 8.464 -10.107 -10.133 1.00 32.30 H new ATOM 0 HG3 GLU A 81 9.905 -9.634 -9.255 1.00 32.30 H new ATOM 1269 N VAL A 82 8.673 -11.786 -5.447 1.00 20.43 N ATOM 1270 CA VAL A 82 7.994 -12.553 -4.409 1.00 72.11 C ATOM 1271 C VAL A 82 6.506 -12.692 -4.713 1.00 3.31 C ATOM 1272 O VAL A 82 5.750 -11.725 -4.614 1.00 33.22 O ATOM 1273 CB VAL A 82 8.165 -11.899 -3.025 1.00 62.21 C ATOM 1274 CG1 VAL A 82 7.770 -12.870 -1.923 1.00 22.21 C ATOM 1275 CG2 VAL A 82 9.596 -11.419 -2.837 1.00 24.45 C ATOM 0 H VAL A 82 8.682 -10.778 -5.289 1.00 20.43 H new ATOM 0 HA VAL A 82 8.453 -13.542 -4.395 1.00 72.11 H new ATOM 0 HB VAL A 82 7.505 -11.034 -2.967 1.00 62.21 H new ATOM 0 HG11 VAL A 82 7.897 -12.390 -0.953 1.00 22.21 H new ATOM 0 HG12 VAL A 82 6.727 -13.160 -2.050 1.00 22.21 H new ATOM 0 HG13 VAL A 82 8.402 -13.756 -1.975 1.00 22.21 H new ATOM 0 HG21 VAL A 82 9.699 -10.959 -1.854 1.00 24.45 H new ATOM 0 HG22 VAL A 82 10.277 -12.266 -2.915 1.00 24.45 H new ATOM 0 HG23 VAL A 82 9.838 -10.687 -3.607 1.00 24.45 H new ATOM 1285 N ILE A 83 6.094 -13.899 -5.083 1.00 33.34 N ATOM 1286 CA ILE A 83 4.696 -14.165 -5.399 1.00 52.33 C ATOM 1287 C ILE A 83 3.892 -14.454 -4.137 1.00 35.35 C ATOM 1288 O ILE A 83 4.327 -15.214 -3.271 1.00 14.22 O ATOM 1289 CB ILE A 83 4.554 -15.353 -6.369 1.00 10.04 C ATOM 1290 CG1 ILE A 83 3.076 -15.671 -6.607 1.00 65.12 C ATOM 1291 CG2 ILE A 83 5.282 -16.572 -5.822 1.00 44.15 C ATOM 1292 CD1 ILE A 83 2.537 -16.754 -5.699 1.00 63.01 C ATOM 0 H ILE A 83 6.708 -14.709 -5.171 1.00 33.34 H new ATOM 0 HA ILE A 83 4.305 -13.267 -5.878 1.00 52.33 H new ATOM 0 HB ILE A 83 5.006 -15.081 -7.323 1.00 10.04 H new ATOM 0 HG12 ILE A 83 2.490 -14.763 -6.464 1.00 65.12 H new ATOM 0 HG13 ILE A 83 2.941 -15.977 -7.644 1.00 65.12 H new ATOM 0 HG21 ILE A 83 5.173 -17.404 -6.518 1.00 44.15 H new ATOM 0 HG22 ILE A 83 6.340 -16.339 -5.698 1.00 44.15 H new ATOM 0 HG23 ILE A 83 4.856 -16.848 -4.857 1.00 44.15 H new ATOM 0 HD11 ILE A 83 1.484 -16.927 -5.924 1.00 63.01 H new ATOM 0 HD12 ILE A 83 3.098 -17.675 -5.858 1.00 63.01 H new ATOM 0 HD13 ILE A 83 2.640 -16.442 -4.660 1.00 63.01 H new ATOM 1304 N VAL A 84 2.714 -13.845 -4.039 1.00 21.14 N ATOM 1305 CA VAL A 84 1.846 -14.040 -2.883 1.00 45.51 C ATOM 1306 C VAL A 84 0.392 -14.204 -3.310 1.00 0.25 C ATOM 1307 O VAL A 84 -0.078 -13.527 -4.224 1.00 42.50 O ATOM 1308 CB VAL A 84 1.951 -12.860 -1.898 1.00 21.21 C ATOM 1309 CG1 VAL A 84 3.294 -12.878 -1.184 1.00 30.32 C ATOM 1310 CG2 VAL A 84 1.742 -11.540 -2.624 1.00 13.12 C ATOM 0 H VAL A 84 2.339 -13.213 -4.746 1.00 21.14 H new ATOM 0 HA VAL A 84 2.180 -14.950 -2.385 1.00 45.51 H new ATOM 0 HB VAL A 84 1.167 -12.964 -1.148 1.00 21.21 H new ATOM 0 HG11 VAL A 84 3.350 -12.037 -0.493 1.00 30.32 H new ATOM 0 HG12 VAL A 84 3.399 -13.811 -0.630 1.00 30.32 H new ATOM 0 HG13 VAL A 84 4.097 -12.799 -1.917 1.00 30.32 H new ATOM 0 HG21 VAL A 84 1.820 -10.717 -1.913 1.00 13.12 H new ATOM 0 HG22 VAL A 84 2.503 -11.425 -3.396 1.00 13.12 H new ATOM 0 HG23 VAL A 84 0.754 -11.530 -3.084 1.00 13.12 H new ATOM 1320 N ASP A 85 -0.316 -15.107 -2.641 1.00 32.02 N ATOM 1321 CA ASP A 85 -1.719 -15.360 -2.949 1.00 10.20 C ATOM 1322 C ASP A 85 -2.616 -14.919 -1.797 1.00 34.02 C ATOM 1323 O ASP A 85 -2.538 -15.460 -0.694 1.00 4.03 O ATOM 1324 CB ASP A 85 -1.939 -16.844 -3.244 1.00 70.31 C ATOM 1325 CG ASP A 85 -2.736 -17.070 -4.514 1.00 63.20 C ATOM 1326 OD1 ASP A 85 -3.883 -16.583 -4.589 1.00 2.12 O ATOM 1327 OD2 ASP A 85 -2.212 -17.735 -5.433 1.00 34.12 O ATOM 0 H ASP A 85 0.058 -15.676 -1.882 1.00 32.02 H new ATOM 0 HA ASP A 85 -1.982 -14.779 -3.833 1.00 10.20 H new ATOM 0 HB2 ASP A 85 -0.973 -17.341 -3.331 1.00 70.31 H new ATOM 0 HB3 ASP A 85 -2.460 -17.305 -2.405 1.00 70.31 H new ATOM 1332 N ARG A 86 -3.468 -13.933 -2.060 1.00 60.33 N ATOM 1333 CA ARG A 86 -4.378 -13.418 -1.045 1.00 35.32 C ATOM 1334 C ARG A 86 -3.607 -12.735 0.081 1.00 72.23 C ATOM 1335 O ARG A 86 -3.342 -13.322 1.130 1.00 13.01 O ATOM 1336 CB ARG A 86 -5.235 -14.551 -0.476 1.00 54.21 C ATOM 1337 CG ARG A 86 -6.687 -14.500 -0.924 1.00 10.22 C ATOM 1338 CD ARG A 86 -7.636 -14.479 0.264 1.00 0.13 C ATOM 1339 NE ARG A 86 -8.893 -13.805 -0.051 1.00 5.44 N ATOM 1340 CZ ARG A 86 -9.020 -12.484 -0.122 1.00 71.33 C ATOM 1341 NH1 ARG A 86 -7.973 -11.701 0.097 1.00 52.10 N ATOM 1342 NH2 ARG A 86 -10.197 -11.945 -0.414 1.00 61.23 N ATOM 0 H ARG A 86 -3.547 -13.475 -2.968 1.00 60.33 H new ATOM 0 HA ARG A 86 -5.028 -12.681 -1.516 1.00 35.32 H new ATOM 0 HB2 ARG A 86 -4.804 -15.507 -0.776 1.00 54.21 H new ATOM 0 HB3 ARG A 86 -5.198 -14.512 0.613 1.00 54.21 H new ATOM 0 HG2 ARG A 86 -6.849 -13.613 -1.536 1.00 10.22 H new ATOM 0 HG3 ARG A 86 -6.906 -15.364 -1.551 1.00 10.22 H new ATOM 0 HD2 ARG A 86 -7.842 -15.501 0.581 1.00 0.13 H new ATOM 0 HD3 ARG A 86 -7.155 -13.976 1.103 1.00 0.13 H new ATOM 0 HE ARG A 86 -9.718 -14.379 -0.226 1.00 5.44 H new ATOM 0 HH11 ARG A 86 -7.067 -12.112 0.321 1.00 52.10 H new ATOM 0 HH12 ARG A 86 -8.074 -10.687 0.042 1.00 52.10 H new ATOM 0 HH21 ARG A 86 -11.004 -12.545 -0.584 1.00 61.23 H new ATOM 0 HH22 ARG A 86 -10.294 -10.931 -0.468 1.00 61.23 H new ATOM 1356 N PRO A 87 -3.237 -11.465 -0.141 1.00 72.11 N ATOM 1357 CA PRO A 87 -3.546 -10.757 -1.387 1.00 14.55 C ATOM 1358 C PRO A 87 -2.755 -11.297 -2.573 1.00 34.22 C ATOM 1359 O PRO A 87 -1.686 -11.885 -2.403 1.00 50.53 O ATOM 1360 CB PRO A 87 -3.137 -9.313 -1.084 1.00 51.13 C ATOM 1361 CG PRO A 87 -2.102 -9.428 -0.019 1.00 45.25 C ATOM 1362 CD PRO A 87 -2.488 -10.623 0.807 1.00 60.33 C ATOM 0 HA PRO A 87 -4.593 -10.868 -1.670 1.00 14.55 H new ATOM 0 HB2 PRO A 87 -2.739 -8.820 -1.971 1.00 51.13 H new ATOM 0 HB3 PRO A 87 -3.989 -8.723 -0.746 1.00 51.13 H new ATOM 0 HG2 PRO A 87 -1.110 -9.557 -0.452 1.00 45.25 H new ATOM 0 HG3 PRO A 87 -2.069 -8.526 0.592 1.00 45.25 H new ATOM 0 HD2 PRO A 87 -1.612 -11.140 1.199 1.00 60.33 H new ATOM 0 HD3 PRO A 87 -3.100 -10.339 1.663 1.00 60.33 H new ATOM 1370 N LEU A 88 -3.287 -11.095 -3.773 1.00 62.45 N ATOM 1371 CA LEU A 88 -2.630 -11.562 -4.989 1.00 63.53 C ATOM 1372 C LEU A 88 -1.805 -10.448 -5.625 1.00 51.12 C ATOM 1373 O LEU A 88 -2.353 -9.466 -6.126 1.00 34.41 O ATOM 1374 CB LEU A 88 -3.668 -12.078 -5.988 1.00 3.32 C ATOM 1375 CG LEU A 88 -3.167 -13.099 -7.010 1.00 2.12 C ATOM 1376 CD1 LEU A 88 -2.490 -14.267 -6.310 1.00 31.05 C ATOM 1377 CD2 LEU A 88 -4.315 -13.589 -7.880 1.00 64.15 C ATOM 0 H LEU A 88 -4.171 -10.611 -3.930 1.00 62.45 H new ATOM 0 HA LEU A 88 -1.958 -12.377 -4.719 1.00 63.53 H new ATOM 0 HB2 LEU A 88 -4.489 -12.527 -5.429 1.00 3.32 H new ATOM 0 HB3 LEU A 88 -4.079 -11.225 -6.528 1.00 3.32 H new ATOM 0 HG LEU A 88 -2.433 -12.612 -7.652 1.00 2.12 H new ATOM 0 HD11 LEU A 88 -2.140 -14.983 -7.053 1.00 31.05 H new ATOM 0 HD12 LEU A 88 -1.642 -13.902 -5.730 1.00 31.05 H new ATOM 0 HD13 LEU A 88 -3.202 -14.754 -5.644 1.00 31.05 H new ATOM 0 HD21 LEU A 88 -3.940 -14.315 -8.602 1.00 64.15 H new ATOM 0 HD22 LEU A 88 -5.072 -14.059 -7.252 1.00 64.15 H new ATOM 0 HD23 LEU A 88 -4.756 -12.745 -8.410 1.00 64.15 H new ATOM 1389 N GLN A 89 -0.486 -10.608 -5.603 1.00 21.40 N ATOM 1390 CA GLN A 89 0.414 -9.616 -6.179 1.00 54.10 C ATOM 1391 C GLN A 89 1.869 -10.048 -6.029 1.00 54.12 C ATOM 1392 O GLN A 89 2.154 -11.158 -5.580 1.00 3.24 O ATOM 1393 CB GLN A 89 0.202 -8.256 -5.511 1.00 73.13 C ATOM 1394 CG GLN A 89 -0.291 -7.180 -6.466 1.00 5.15 C ATOM 1395 CD GLN A 89 0.825 -6.588 -7.304 1.00 25.41 C ATOM 1396 OE1 GLN A 89 1.151 -7.101 -8.375 1.00 25.01 O ATOM 1397 NE2 GLN A 89 1.418 -5.503 -6.820 1.00 62.11 N ATOM 0 H GLN A 89 -0.017 -11.415 -5.192 1.00 21.40 H new ATOM 0 HA GLN A 89 0.188 -9.531 -7.242 1.00 54.10 H new ATOM 0 HB2 GLN A 89 -0.517 -8.367 -4.699 1.00 73.13 H new ATOM 0 HB3 GLN A 89 1.141 -7.930 -5.063 1.00 73.13 H new ATOM 0 HG2 GLN A 89 -1.049 -7.604 -7.125 1.00 5.15 H new ATOM 0 HG3 GLN A 89 -0.772 -6.386 -5.895 1.00 5.15 H new ATOM 0 HE21 GLN A 89 1.116 -5.111 -5.928 1.00 62.11 H new ATOM 0 HE22 GLN A 89 2.176 -5.061 -7.340 1.00 62.11 H new ATOM 1406 N VAL A 90 2.786 -9.164 -6.409 1.00 55.34 N ATOM 1407 CA VAL A 90 4.211 -9.453 -6.317 1.00 25.24 C ATOM 1408 C VAL A 90 4.953 -8.337 -5.589 1.00 74.20 C ATOM 1409 O VAL A 90 4.494 -7.195 -5.551 1.00 24.12 O ATOM 1410 CB VAL A 90 4.837 -9.646 -7.711 1.00 11.01 C ATOM 1411 CG1 VAL A 90 6.231 -10.243 -7.593 1.00 2.40 C ATOM 1412 CG2 VAL A 90 3.945 -10.522 -8.578 1.00 40.40 C ATOM 0 H VAL A 90 2.567 -8.241 -6.784 1.00 55.34 H new ATOM 0 HA VAL A 90 4.309 -10.380 -5.752 1.00 25.24 H new ATOM 0 HB VAL A 90 4.925 -8.670 -8.189 1.00 11.01 H new ATOM 0 HG11 VAL A 90 6.657 -10.372 -8.588 1.00 2.40 H new ATOM 0 HG12 VAL A 90 6.865 -9.574 -7.011 1.00 2.40 H new ATOM 0 HG13 VAL A 90 6.171 -11.211 -7.096 1.00 2.40 H new ATOM 0 HG21 VAL A 90 4.402 -10.648 -9.559 1.00 40.40 H new ATOM 0 HG22 VAL A 90 3.823 -11.497 -8.106 1.00 40.40 H new ATOM 0 HG23 VAL A 90 2.969 -10.049 -8.690 1.00 40.40 H new ATOM 1422 N PHE A 91 6.101 -8.675 -5.013 1.00 23.03 N ATOM 1423 CA PHE A 91 6.907 -7.701 -4.285 1.00 61.41 C ATOM 1424 C PHE A 91 8.285 -7.551 -4.923 1.00 23.05 C ATOM 1425 O PHE A 91 9.019 -8.527 -5.079 1.00 24.33 O ATOM 1426 CB PHE A 91 7.053 -8.121 -2.821 1.00 11.31 C ATOM 1427 CG PHE A 91 5.740 -8.283 -2.110 1.00 53.02 C ATOM 1428 CD1 PHE A 91 4.812 -7.254 -2.098 1.00 32.23 C ATOM 1429 CD2 PHE A 91 5.434 -9.464 -1.454 1.00 35.30 C ATOM 1430 CE1 PHE A 91 3.602 -7.400 -1.445 1.00 22.40 C ATOM 1431 CE2 PHE A 91 4.226 -9.616 -0.800 1.00 35.40 C ATOM 1432 CZ PHE A 91 3.309 -8.583 -0.794 1.00 43.24 C ATOM 0 H PHE A 91 6.495 -9.616 -5.036 1.00 23.03 H new ATOM 0 HA PHE A 91 6.398 -6.738 -4.330 1.00 61.41 H new ATOM 0 HB2 PHE A 91 7.601 -9.062 -2.774 1.00 11.31 H new ATOM 0 HB3 PHE A 91 7.652 -7.377 -2.296 1.00 11.31 H new ATOM 0 HD1 PHE A 91 5.036 -6.327 -2.605 1.00 32.23 H new ATOM 0 HD2 PHE A 91 6.147 -10.275 -1.454 1.00 35.30 H new ATOM 0 HE1 PHE A 91 2.887 -6.591 -1.444 1.00 22.40 H new ATOM 0 HE2 PHE A 91 3.999 -10.543 -0.294 1.00 35.40 H new ATOM 0 HZ PHE A 91 2.365 -8.700 -0.282 1.00 43.24 H new ATOM 1442 N HIS A 92 8.630 -6.321 -5.290 1.00 11.23 N ATOM 1443 CA HIS A 92 9.920 -6.041 -5.911 1.00 31.45 C ATOM 1444 C HIS A 92 11.055 -6.209 -4.905 1.00 14.25 C ATOM 1445 O HIS A 92 11.152 -5.459 -3.933 1.00 23.11 O ATOM 1446 CB HIS A 92 9.937 -4.625 -6.485 1.00 51.50 C ATOM 1447 CG HIS A 92 10.295 -4.572 -7.938 1.00 41.33 C ATOM 1448 ND1 HIS A 92 11.597 -4.537 -8.392 1.00 31.52 N ATOM 1449 CD2 HIS A 92 9.513 -4.549 -9.043 1.00 32.23 C ATOM 1450 CE1 HIS A 92 11.600 -4.494 -9.712 1.00 72.32 C ATOM 1451 NE2 HIS A 92 10.348 -4.501 -10.132 1.00 55.10 N ATOM 0 H HIS A 92 8.034 -5.502 -5.168 1.00 11.23 H new ATOM 0 HA HIS A 92 10.068 -6.755 -6.721 1.00 31.45 H new ATOM 0 HB2 HIS A 92 8.955 -4.173 -6.344 1.00 51.50 H new ATOM 0 HB3 HIS A 92 10.649 -4.022 -5.922 1.00 51.50 H new ATOM 0 HD1 HIS A 92 12.428 -4.543 -7.800 1.00 31.52 H new ATOM 0 HD2 HIS A 92 8.433 -4.565 -9.064 1.00 32.23 H new ATOM 0 HE1 HIS A 92 12.477 -4.459 -10.341 1.00 72.32 H new ATOM 1459 N VAL A 93 11.910 -7.198 -5.144 1.00 1.33 N ATOM 1460 CA VAL A 93 13.038 -7.463 -4.259 1.00 62.51 C ATOM 1461 C VAL A 93 14.363 -7.322 -5.000 1.00 51.41 C ATOM 1462 O VAL A 93 14.565 -7.929 -6.051 1.00 21.01 O ATOM 1463 CB VAL A 93 12.952 -8.875 -3.649 1.00 25.12 C ATOM 1464 CG1 VAL A 93 14.196 -9.178 -2.826 1.00 53.24 C ATOM 1465 CG2 VAL A 93 11.696 -9.014 -2.802 1.00 43.41 C ATOM 0 H VAL A 93 11.843 -7.829 -5.943 1.00 1.33 H new ATOM 0 HA VAL A 93 12.993 -6.725 -3.458 1.00 62.51 H new ATOM 0 HB VAL A 93 12.897 -9.600 -4.461 1.00 25.12 H new ATOM 0 HG11 VAL A 93 14.117 -10.179 -2.403 1.00 53.24 H new ATOM 0 HG12 VAL A 93 15.077 -9.122 -3.465 1.00 53.24 H new ATOM 0 HG13 VAL A 93 14.285 -8.450 -2.020 1.00 53.24 H new ATOM 0 HG21 VAL A 93 11.652 -10.018 -2.379 1.00 43.41 H new ATOM 0 HG22 VAL A 93 11.718 -8.281 -1.996 1.00 43.41 H new ATOM 0 HG23 VAL A 93 10.817 -8.843 -3.424 1.00 43.41 H new ATOM 1475 N GLU A 94 15.262 -6.516 -4.444 1.00 43.34 N ATOM 1476 CA GLU A 94 16.568 -6.294 -5.054 1.00 25.23 C ATOM 1477 C GLU A 94 17.684 -6.463 -4.026 1.00 12.50 C ATOM 1478 O GLU A 94 17.790 -5.687 -3.075 1.00 73.34 O ATOM 1479 CB GLU A 94 16.637 -4.897 -5.673 1.00 11.54 C ATOM 1480 CG GLU A 94 16.469 -4.891 -7.183 1.00 1.33 C ATOM 1481 CD GLU A 94 15.417 -3.903 -7.649 1.00 21.10 C ATOM 1482 OE1 GLU A 94 15.442 -2.745 -7.181 1.00 23.41 O ATOM 1483 OE2 GLU A 94 14.569 -4.287 -8.481 1.00 62.31 O ATOM 0 H GLU A 94 15.110 -6.007 -3.573 1.00 43.34 H new ATOM 0 HA GLU A 94 16.704 -7.038 -5.839 1.00 25.23 H new ATOM 0 HB2 GLU A 94 15.863 -4.273 -5.227 1.00 11.54 H new ATOM 0 HB3 GLU A 94 17.596 -4.444 -5.421 1.00 11.54 H new ATOM 0 HG2 GLU A 94 17.423 -4.647 -7.650 1.00 1.33 H new ATOM 0 HG3 GLU A 94 16.196 -5.892 -7.518 1.00 1.33 H new ATOM 1490 N VAL A 95 18.514 -7.482 -4.224 1.00 0.32 N ATOM 1491 CA VAL A 95 19.622 -7.753 -3.316 1.00 10.44 C ATOM 1492 C VAL A 95 20.963 -7.499 -3.994 1.00 64.12 C ATOM 1493 O VAL A 95 21.227 -8.014 -5.080 1.00 64.11 O ATOM 1494 CB VAL A 95 19.585 -9.204 -2.802 1.00 70.44 C ATOM 1495 CG1 VAL A 95 18.372 -9.425 -1.912 1.00 32.32 C ATOM 1496 CG2 VAL A 95 19.586 -10.181 -3.968 1.00 73.34 C ATOM 0 H VAL A 95 18.440 -8.134 -5.005 1.00 0.32 H new ATOM 0 HA VAL A 95 19.512 -7.074 -2.471 1.00 10.44 H new ATOM 0 HB VAL A 95 20.480 -9.383 -2.206 1.00 70.44 H new ATOM 0 HG11 VAL A 95 18.363 -10.456 -1.558 1.00 32.32 H new ATOM 0 HG12 VAL A 95 18.419 -8.749 -1.058 1.00 32.32 H new ATOM 0 HG13 VAL A 95 17.463 -9.229 -2.480 1.00 32.32 H new ATOM 0 HG21 VAL A 95 19.560 -11.202 -3.587 1.00 73.34 H new ATOM 0 HG22 VAL A 95 18.710 -10.004 -4.592 1.00 73.34 H new ATOM 0 HG23 VAL A 95 20.489 -10.038 -4.561 1.00 73.34 H new ATOM 1506 N GLU A 96 21.807 -6.702 -3.346 1.00 23.31 N ATOM 1507 CA GLU A 96 23.122 -6.380 -3.888 1.00 21.30 C ATOM 1508 C GLU A 96 24.220 -7.113 -3.123 1.00 63.51 C ATOM 1509 O GLU A 96 24.048 -7.472 -1.958 1.00 72.11 O ATOM 1510 CB GLU A 96 23.366 -4.871 -3.831 1.00 1.11 C ATOM 1511 CG GLU A 96 24.241 -4.353 -4.960 1.00 1.31 C ATOM 1512 CD GLU A 96 24.553 -2.875 -4.825 1.00 54.24 C ATOM 1513 OE1 GLU A 96 24.119 -2.266 -3.825 1.00 34.54 O ATOM 1514 OE2 GLU A 96 25.229 -2.327 -5.720 1.00 44.41 O ATOM 0 H GLU A 96 21.604 -6.268 -2.446 1.00 23.31 H new ATOM 0 HA GLU A 96 23.148 -6.706 -4.928 1.00 21.30 H new ATOM 0 HB2 GLU A 96 22.406 -4.355 -3.860 1.00 1.11 H new ATOM 0 HB3 GLU A 96 23.833 -4.623 -2.878 1.00 1.11 H new ATOM 0 HG2 GLU A 96 25.174 -4.917 -4.980 1.00 1.31 H new ATOM 0 HG3 GLU A 96 23.741 -4.530 -5.912 1.00 1.31 H new ATOM 1521 N VAL A 97 25.350 -7.333 -3.788 1.00 25.35 N ATOM 1522 CA VAL A 97 26.478 -8.023 -3.171 1.00 52.24 C ATOM 1523 C VAL A 97 27.445 -7.033 -2.533 1.00 3.40 C ATOM 1524 O VAL A 97 27.880 -6.074 -3.172 1.00 32.13 O ATOM 1525 CB VAL A 97 27.241 -8.880 -4.199 1.00 0.32 C ATOM 1526 CG1 VAL A 97 26.468 -10.152 -4.513 1.00 2.31 C ATOM 1527 CG2 VAL A 97 27.507 -8.081 -5.466 1.00 13.11 C ATOM 0 H VAL A 97 25.509 -7.044 -4.753 1.00 25.35 H new ATOM 0 HA VAL A 97 26.068 -8.674 -2.399 1.00 52.24 H new ATOM 0 HB VAL A 97 28.201 -9.164 -3.768 1.00 0.32 H new ATOM 0 HG11 VAL A 97 27.022 -10.744 -5.241 1.00 2.31 H new ATOM 0 HG12 VAL A 97 26.335 -10.732 -3.600 1.00 2.31 H new ATOM 0 HG13 VAL A 97 25.492 -9.893 -4.924 1.00 2.31 H new ATOM 0 HG21 VAL A 97 28.047 -8.702 -6.181 1.00 13.11 H new ATOM 0 HG22 VAL A 97 26.560 -7.765 -5.902 1.00 13.11 H new ATOM 0 HG23 VAL A 97 28.106 -7.203 -5.223 1.00 13.11 H new ATOM 1537 N ARG A 98 27.779 -7.271 -1.269 1.00 21.31 N ATOM 1538 CA ARG A 98 28.695 -6.400 -0.543 1.00 42.11 C ATOM 1539 C ARG A 98 30.100 -6.994 -0.511 1.00 44.14 C ATOM 1540 O ARG A 98 30.360 -7.961 0.205 1.00 62.24 O ATOM 1541 CB ARG A 98 28.194 -6.173 0.884 1.00 13.42 C ATOM 1542 CG ARG A 98 28.667 -4.864 1.495 1.00 54.42 C ATOM 1543 CD ARG A 98 30.069 -4.991 2.069 1.00 70.12 C ATOM 1544 NE ARG A 98 31.091 -4.558 1.119 1.00 34.22 N ATOM 1545 CZ ARG A 98 31.280 -3.291 0.770 1.00 12.54 C ATOM 1546 NH1 ARG A 98 30.521 -2.336 1.291 1.00 72.03 N ATOM 1547 NH2 ARG A 98 32.230 -2.975 -0.100 1.00 63.42 N ATOM 0 H ARG A 98 27.429 -8.060 -0.726 1.00 21.31 H new ATOM 0 HA ARG A 98 28.735 -5.443 -1.063 1.00 42.11 H new ATOM 0 HB2 ARG A 98 27.104 -6.191 0.885 1.00 13.42 H new ATOM 0 HB3 ARG A 98 28.527 -6.999 1.513 1.00 13.42 H new ATOM 0 HG2 ARG A 98 28.653 -4.081 0.737 1.00 54.42 H new ATOM 0 HG3 ARG A 98 27.977 -4.558 2.282 1.00 54.42 H new ATOM 0 HD2 ARG A 98 30.144 -4.395 2.978 1.00 70.12 H new ATOM 0 HD3 ARG A 98 30.253 -6.028 2.351 1.00 70.12 H new ATOM 0 HE ARG A 98 31.692 -5.268 0.701 1.00 34.22 H new ATOM 0 HH11 ARG A 98 29.790 -2.574 1.961 1.00 72.03 H new ATOM 0 HH12 ARG A 98 30.668 -1.363 1.021 1.00 72.03 H new ATOM 0 HH21 ARG A 98 32.817 -3.706 -0.502 1.00 63.42 H new ATOM 0 HH22 ARG A 98 32.374 -2.001 -0.367 1.00 63.42 H new ATOM 1561 N ASP A 99 31.002 -6.409 -1.292 1.00 1.21 N ATOM 1562 CA ASP A 99 32.381 -6.879 -1.353 1.00 70.51 C ATOM 1563 C ASP A 99 33.202 -6.033 -2.321 1.00 74.34 C ATOM 1564 O ASP A 99 32.740 -4.997 -2.800 1.00 74.24 O ATOM 1565 CB ASP A 99 32.423 -8.348 -1.778 1.00 73.12 C ATOM 1566 CG ASP A 99 33.120 -9.227 -0.758 1.00 13.40 C ATOM 1567 OD1 ASP A 99 32.797 -9.112 0.443 1.00 21.13 O ATOM 1568 OD2 ASP A 99 33.987 -10.029 -1.161 1.00 22.22 O ATOM 0 H ASP A 99 30.803 -5.608 -1.892 1.00 1.21 H new ATOM 0 HA ASP A 99 32.815 -6.784 -0.358 1.00 70.51 H new ATOM 0 HB2 ASP A 99 31.406 -8.709 -1.929 1.00 73.12 H new ATOM 0 HB3 ASP A 99 32.936 -8.431 -2.736 1.00 73.12 H new ATOM 1573 N ILE A 100 34.420 -6.481 -2.604 1.00 3.01 N ATOM 1574 CA ILE A 100 35.305 -5.765 -3.515 1.00 14.22 C ATOM 1575 C ILE A 100 35.584 -6.586 -4.769 1.00 0.01 C ATOM 1576 O ILE A 100 35.485 -7.812 -4.755 1.00 74.01 O ATOM 1577 CB ILE A 100 36.642 -5.410 -2.838 1.00 70.24 C ATOM 1578 CG1 ILE A 100 36.396 -4.843 -1.439 1.00 1.21 C ATOM 1579 CG2 ILE A 100 37.419 -4.417 -3.690 1.00 0.05 C ATOM 1580 CD1 ILE A 100 37.668 -4.545 -0.675 1.00 74.44 C ATOM 0 H ILE A 100 34.817 -7.337 -2.216 1.00 3.01 H new ATOM 0 HA ILE A 100 34.793 -4.844 -3.794 1.00 14.22 H new ATOM 0 HB ILE A 100 37.236 -6.319 -2.741 1.00 70.24 H new ATOM 0 HG12 ILE A 100 35.810 -3.928 -1.525 1.00 1.21 H new ATOM 0 HG13 ILE A 100 35.797 -5.553 -0.868 1.00 1.21 H new ATOM 0 HG21 ILE A 100 38.362 -4.175 -3.199 1.00 0.05 H new ATOM 0 HG22 ILE A 100 37.621 -4.856 -4.667 1.00 0.05 H new ATOM 0 HG23 ILE A 100 36.832 -3.507 -3.815 1.00 0.05 H new ATOM 0 HD11 ILE A 100 37.417 -4.146 0.308 1.00 74.44 H new ATOM 0 HD12 ILE A 100 38.245 -5.462 -0.558 1.00 74.44 H new ATOM 0 HD13 ILE A 100 38.259 -3.812 -1.224 1.00 74.44 H new ATOM 1592 N ASN A 101 35.936 -5.901 -5.852 1.00 51.30 N ATOM 1593 CA ASN A 101 36.232 -6.567 -7.115 1.00 55.13 C ATOM 1594 C ASN A 101 37.604 -7.232 -7.072 1.00 1.54 C ATOM 1595 O ASN A 101 37.724 -8.443 -7.252 1.00 24.54 O ATOM 1596 CB ASN A 101 36.174 -5.565 -8.270 1.00 3.41 C ATOM 1597 CG ASN A 101 36.863 -6.081 -9.518 1.00 71.15 C ATOM 1598 OD1 ASN A 101 37.715 -5.252 -10.110 1.00 33.45 O flip ATOM 1599 ND2 ASN A 101 36.632 -7.212 -9.946 1.00 52.31 N flip ATOM 0 H ASN A 101 36.023 -4.885 -5.880 1.00 51.30 H new ATOM 0 HA ASN A 101 35.479 -7.339 -7.274 1.00 55.13 H new ATOM 0 HB2 ASN A 101 35.133 -5.340 -8.500 1.00 3.41 H new ATOM 0 HB3 ASN A 101 36.641 -4.630 -7.960 1.00 3.41 H new ATOM 0 HD21 ASN A 101 35.970 -7.816 -9.459 1.00 52.31 H new ATOM 0 HD22 ASN A 101 37.103 -7.545 -10.787 1.00 52.31 H new ATOM 1606 N ASP A 102 38.636 -6.430 -6.831 1.00 31.11 N ATOM 1607 CA ASP A 102 40.000 -6.940 -6.762 1.00 23.14 C ATOM 1608 C ASP A 102 40.559 -6.808 -5.348 1.00 52.52 C ATOM 1609 O ASP A 102 41.768 -6.687 -5.157 1.00 41.41 O ATOM 1610 CB ASP A 102 40.897 -6.193 -7.750 1.00 24.40 C ATOM 1611 CG ASP A 102 40.363 -6.242 -9.168 1.00 30.32 C ATOM 1612 OD1 ASP A 102 39.628 -7.198 -9.492 1.00 22.42 O ATOM 1613 OD2 ASP A 102 40.680 -5.325 -9.954 1.00 2.22 O ATOM 0 H ASP A 102 38.553 -5.425 -6.680 1.00 31.11 H new ATOM 0 HA ASP A 102 39.980 -7.997 -7.028 1.00 23.14 H new ATOM 0 HB2 ASP A 102 40.991 -5.153 -7.436 1.00 24.40 H new ATOM 0 HB3 ASP A 102 41.897 -6.625 -7.726 1.00 24.40 H new ATOM 1618 N ASN A 103 39.669 -6.830 -4.361 1.00 70.02 N ATOM 1619 CA ASN A 103 40.073 -6.711 -2.965 1.00 1.50 C ATOM 1620 C ASN A 103 40.938 -5.472 -2.753 1.00 65.02 C ATOM 1621 O ASN A 103 40.789 -4.761 -1.760 1.00 21.23 O ATOM 1622 CB ASN A 103 40.836 -7.961 -2.524 1.00 64.24 C ATOM 1623 CG ASN A 103 40.057 -8.791 -1.523 1.00 71.50 C ATOM 1624 OD1 ASN A 103 40.264 -8.682 -0.314 1.00 71.14 O ATOM 1625 ND2 ASN A 103 39.155 -9.628 -2.023 1.00 53.10 N ATOM 0 H ASN A 103 38.664 -6.929 -4.502 1.00 70.02 H new ATOM 0 HA ASN A 103 39.172 -6.612 -2.359 1.00 1.50 H new ATOM 0 HB2 ASN A 103 41.064 -8.571 -3.398 1.00 64.24 H new ATOM 0 HB3 ASN A 103 41.788 -7.665 -2.084 1.00 64.24 H new ATOM 0 HD21 ASN A 103 38.601 -10.213 -1.398 1.00 53.10 H new ATOM 0 HD22 ASN A 103 39.017 -9.686 -3.032 1.00 53.10 H new TER 1632 ASN A 103