USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 ASN : amide:sc= -0.884 K(o=-2.9,f=-7.5) USER MOD Set 1.2: A 107 MET CE :methyl 170:sc= -1.98 (180deg=-1.35) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.000307 USER MOD Single : A 15 LYS NZ :NH3+ 165:sc=-0.00777 (180deg=-0.134) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.16) USER MOD Single : A 33 TYR OH : rot -110:sc= -0.117 USER MOD Single : A 39 GLN : amide:sc= 0.205 X(o=0.2,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 79:sc= 0.0796 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.13) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.188 USER MOD Single : A 68 THR OG1 : rot -170:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.042) USER MOD Single : A 72 THR OG1 : rot 79:sc= 0.258 USER MOD Single : A 74 SER OG : rot -132:sc= 0.977 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0235 K(o=-0.024,f=-1.3!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0.95 (180deg=0.95) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00012 USER MOD Single : A 106 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 108 THR OG1 : rot 150:sc= 0.00505 USER MOD Single : A 109 ASN : amide:sc= 0.512 K(o=0.51,f=-2.8!) USER MOD Single : A 114 TYR OH : rot 68:sc= 0.92 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0.549 K(o=0.55,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -3.074 -9.436 -10.048 1.00 11.22 N ATOM 19 CA GLY A 2 -1.805 -8.956 -10.566 1.00 35.53 C ATOM 20 C GLY A 2 -2.054 -7.761 -11.473 1.00 41.21 C ATOM 21 O GLY A 2 -2.253 -7.918 -12.677 1.00 0.41 O ATOM 0 HA2 GLY A 2 -1.147 -8.673 -9.744 1.00 35.53 H new ATOM 0 HA3 GLY A 2 -1.301 -9.749 -11.119 1.00 35.53 H new ATOM 25 N ILE A 3 -2.092 -6.572 -10.881 1.00 45.33 N ATOM 26 CA ILE A 3 -2.214 -5.293 -11.582 1.00 14.24 C ATOM 27 C ILE A 3 -0.801 -4.842 -11.993 1.00 11.41 C ATOM 28 O ILE A 3 0.186 -5.277 -11.398 1.00 32.40 O ATOM 29 CB ILE A 3 -2.946 -4.274 -10.666 1.00 33.53 C ATOM 30 CG1 ILE A 3 -4.254 -4.882 -10.108 1.00 25.43 C ATOM 31 CG2 ILE A 3 -3.295 -2.967 -11.390 1.00 61.21 C ATOM 32 CD1 ILE A 3 -5.118 -3.902 -9.306 1.00 31.20 C ATOM 0 H ILE A 3 -2.037 -6.466 -9.868 1.00 45.33 H new ATOM 0 HA ILE A 3 -2.814 -5.378 -12.488 1.00 14.24 H new ATOM 0 HB ILE A 3 -2.251 -4.046 -9.857 1.00 33.53 H new ATOM 0 HG12 ILE A 3 -4.843 -5.270 -10.939 1.00 25.43 H new ATOM 0 HG13 ILE A 3 -4.003 -5.731 -9.472 1.00 25.43 H new ATOM 0 HG21 ILE A 3 -3.805 -2.294 -10.701 1.00 61.21 H new ATOM 0 HG22 ILE A 3 -2.381 -2.495 -11.749 1.00 61.21 H new ATOM 0 HG23 ILE A 3 -3.948 -3.183 -12.236 1.00 61.21 H new ATOM 0 HD11 ILE A 3 -6.014 -4.412 -8.953 1.00 31.20 H new ATOM 0 HD12 ILE A 3 -4.551 -3.532 -8.452 1.00 31.20 H new ATOM 0 HD13 ILE A 3 -5.404 -3.064 -9.942 1.00 31.20 H new ATOM 44 N THR A 4 -0.687 -3.968 -12.991 1.00 63.41 N ATOM 45 CA THR A 4 0.553 -3.274 -13.330 1.00 52.43 C ATOM 46 C THR A 4 0.756 -2.133 -12.328 1.00 44.24 C ATOM 47 O THR A 4 -0.211 -1.446 -11.996 1.00 54.51 O ATOM 48 CB THR A 4 0.400 -2.677 -14.741 1.00 13.41 C ATOM 49 OG1 THR A 4 0.007 -3.679 -15.661 1.00 55.23 O ATOM 50 CG2 THR A 4 1.668 -1.993 -15.256 1.00 3.33 C ATOM 0 H THR A 4 -1.468 -3.718 -13.597 1.00 63.41 H new ATOM 0 HA THR A 4 1.401 -3.958 -13.298 1.00 52.43 H new ATOM 0 HB THR A 4 -0.370 -1.910 -14.658 1.00 13.41 H new ATOM 0 HG1 THR A 4 -0.088 -3.285 -16.553 1.00 55.23 H new ATOM 0 HG21 THR A 4 1.487 -1.596 -16.255 1.00 3.33 H new ATOM 0 HG22 THR A 4 1.940 -1.178 -14.585 1.00 3.33 H new ATOM 0 HG23 THR A 4 2.482 -2.717 -15.295 1.00 3.33 H new ATOM 58 N ILE A 5 1.996 -1.841 -11.924 1.00 42.20 N ATOM 59 CA ILE A 5 2.318 -0.617 -11.197 1.00 10.01 C ATOM 60 C ILE A 5 3.157 0.307 -12.075 1.00 64.45 C ATOM 61 O ILE A 5 3.948 -0.156 -12.902 1.00 52.51 O ATOM 62 CB ILE A 5 3.008 -0.966 -9.868 1.00 11.23 C ATOM 63 CG1 ILE A 5 2.174 -1.943 -9.013 1.00 14.34 C ATOM 64 CG2 ILE A 5 3.397 0.280 -9.042 1.00 31.04 C ATOM 65 CD1 ILE A 5 0.836 -1.387 -8.505 1.00 41.10 C ATOM 0 H ILE A 5 2.800 -2.446 -12.093 1.00 42.20 H new ATOM 0 HA ILE A 5 1.404 -0.076 -10.951 1.00 10.01 H new ATOM 0 HB ILE A 5 3.933 -1.469 -10.150 1.00 11.23 H new ATOM 0 HG12 ILE A 5 1.977 -2.839 -9.602 1.00 14.34 H new ATOM 0 HG13 ILE A 5 2.771 -2.250 -8.154 1.00 14.34 H new ATOM 0 HG21 ILE A 5 3.880 -0.033 -8.116 1.00 31.04 H new ATOM 0 HG22 ILE A 5 4.085 0.898 -9.619 1.00 31.04 H new ATOM 0 HG23 ILE A 5 2.501 0.855 -8.808 1.00 31.04 H new ATOM 0 HD11 ILE A 5 0.326 -2.149 -7.915 1.00 41.10 H new ATOM 0 HD12 ILE A 5 1.019 -0.510 -7.885 1.00 41.10 H new ATOM 0 HD13 ILE A 5 0.212 -1.107 -9.354 1.00 41.10 H new ATOM 77 N THR A 6 3.013 1.608 -11.852 1.00 0.32 N ATOM 78 CA THR A 6 3.823 2.682 -12.397 1.00 42.35 C ATOM 79 C THR A 6 4.409 3.450 -11.222 1.00 5.20 C ATOM 80 O THR A 6 3.685 3.775 -10.281 1.00 30.33 O ATOM 81 CB THR A 6 2.951 3.573 -13.295 1.00 31.13 C ATOM 82 OG1 THR A 6 1.626 3.674 -12.798 1.00 42.20 O ATOM 83 CG2 THR A 6 2.867 2.923 -14.665 1.00 31.31 C ATOM 0 H THR A 6 2.275 1.961 -11.243 1.00 0.32 H new ATOM 0 HA THR A 6 4.636 2.303 -13.016 1.00 42.35 H new ATOM 0 HB THR A 6 3.398 4.566 -13.330 1.00 31.13 H new ATOM 0 HG1 THR A 6 1.097 4.249 -13.390 1.00 42.20 H new ATOM 0 HG21 THR A 6 2.252 3.538 -15.322 1.00 31.31 H new ATOM 0 HG22 THR A 6 3.868 2.831 -15.086 1.00 31.31 H new ATOM 0 HG23 THR A 6 2.420 1.933 -14.571 1.00 31.31 H new ATOM 91 N ASP A 7 5.722 3.703 -11.235 1.00 43.32 N ATOM 92 CA ASP A 7 6.373 4.395 -10.117 1.00 51.54 C ATOM 93 C ASP A 7 5.871 5.846 -10.030 1.00 61.31 C ATOM 94 O ASP A 7 5.910 6.437 -8.951 1.00 12.44 O ATOM 95 CB ASP A 7 7.906 4.348 -10.218 1.00 14.15 C ATOM 96 CG ASP A 7 8.488 2.936 -10.080 1.00 14.35 C ATOM 97 OD1 ASP A 7 8.197 2.229 -9.084 1.00 74.53 O ATOM 98 OD2 ASP A 7 9.181 2.473 -11.009 1.00 31.45 O ATOM 0 H ASP A 7 6.348 3.443 -11.997 1.00 43.32 H new ATOM 0 HA ASP A 7 6.103 3.871 -9.200 1.00 51.54 H new ATOM 0 HB2 ASP A 7 8.211 4.765 -11.177 1.00 14.15 H new ATOM 0 HB3 ASP A 7 8.332 4.985 -9.443 1.00 14.15 H new ATOM 103 N GLU A 8 5.325 6.410 -11.118 1.00 52.44 N ATOM 104 CA GLU A 8 4.679 7.725 -11.105 1.00 13.01 C ATOM 105 C GLU A 8 3.501 7.756 -10.120 1.00 62.21 C ATOM 106 O GLU A 8 3.344 8.709 -9.355 1.00 3.22 O ATOM 107 CB GLU A 8 4.294 8.158 -12.534 1.00 12.13 C ATOM 108 CG GLU A 8 3.164 7.374 -13.206 1.00 30.31 C ATOM 109 CD GLU A 8 1.860 8.146 -13.426 1.00 3.03 C ATOM 110 OE1 GLU A 8 1.776 8.980 -14.356 1.00 23.25 O ATOM 111 OE2 GLU A 8 0.846 7.800 -12.778 1.00 62.52 O ATOM 0 H GLU A 8 5.321 5.962 -12.034 1.00 52.44 H new ATOM 0 HA GLU A 8 5.392 8.464 -10.740 1.00 13.01 H new ATOM 0 HB2 GLU A 8 4.009 9.210 -12.506 1.00 12.13 H new ATOM 0 HB3 GLU A 8 5.181 8.084 -13.163 1.00 12.13 H new ATOM 0 HG2 GLU A 8 3.520 7.015 -14.172 1.00 30.31 H new ATOM 0 HG3 GLU A 8 2.946 6.495 -12.600 1.00 30.31 H new ATOM 118 N LEU A 9 2.714 6.678 -10.090 1.00 3.23 N ATOM 119 CA LEU A 9 1.542 6.526 -9.235 1.00 44.41 C ATOM 120 C LEU A 9 1.935 6.268 -7.780 1.00 12.34 C ATOM 121 O LEU A 9 1.093 6.346 -6.884 1.00 40.33 O ATOM 122 CB LEU A 9 0.686 5.352 -9.751 1.00 51.42 C ATOM 123 CG LEU A 9 -0.700 5.787 -10.252 1.00 4.44 C ATOM 124 CD1 LEU A 9 -1.424 4.539 -10.769 1.00 12.55 C ATOM 125 CD2 LEU A 9 -1.525 6.465 -9.153 1.00 2.54 C ATOM 0 H LEU A 9 2.883 5.863 -10.680 1.00 3.23 H new ATOM 0 HA LEU A 9 0.973 7.455 -9.270 1.00 44.41 H new ATOM 0 HB2 LEU A 9 1.217 4.852 -10.561 1.00 51.42 H new ATOM 0 HB3 LEU A 9 0.563 4.621 -8.951 1.00 51.42 H new ATOM 0 HG LEU A 9 -0.578 6.524 -11.046 1.00 4.44 H new ATOM 0 HD11 LEU A 9 -2.413 4.817 -11.132 1.00 12.55 H new ATOM 0 HD12 LEU A 9 -0.850 4.096 -11.583 1.00 12.55 H new ATOM 0 HD13 LEU A 9 -1.524 3.815 -9.960 1.00 12.55 H new ATOM 0 HD21 LEU A 9 -2.496 6.755 -9.554 1.00 2.54 H new ATOM 0 HD22 LEU A 9 -1.667 5.771 -8.324 1.00 2.54 H new ATOM 0 HD23 LEU A 9 -1.000 7.352 -8.798 1.00 2.54 H new ATOM 137 N LEU A 10 3.192 5.908 -7.524 1.00 62.53 N ATOM 138 CA LEU A 10 3.726 5.754 -6.179 1.00 71.33 C ATOM 139 C LEU A 10 4.151 7.116 -5.645 1.00 22.51 C ATOM 140 O LEU A 10 3.840 7.454 -4.501 1.00 0.01 O ATOM 141 CB LEU A 10 4.893 4.754 -6.182 1.00 21.35 C ATOM 142 CG LEU A 10 4.530 3.400 -6.817 1.00 74.55 C ATOM 143 CD1 LEU A 10 5.676 2.414 -6.626 1.00 63.11 C ATOM 144 CD2 LEU A 10 3.259 2.799 -6.220 1.00 52.21 C ATOM 0 H LEU A 10 3.874 5.713 -8.257 1.00 62.53 H new ATOM 0 HA LEU A 10 2.956 5.354 -5.519 1.00 71.33 H new ATOM 0 HB2 LEU A 10 5.734 5.188 -6.723 1.00 21.35 H new ATOM 0 HB3 LEU A 10 5.225 4.590 -5.157 1.00 21.35 H new ATOM 0 HG LEU A 10 4.352 3.583 -7.877 1.00 74.55 H new ATOM 0 HD11 LEU A 10 5.412 1.458 -7.078 1.00 63.11 H new ATOM 0 HD12 LEU A 10 6.575 2.805 -7.102 1.00 63.11 H new ATOM 0 HD13 LEU A 10 5.861 2.273 -5.561 1.00 63.11 H new ATOM 0 HD21 LEU A 10 3.047 1.845 -6.702 1.00 52.21 H new ATOM 0 HD22 LEU A 10 3.398 2.642 -5.150 1.00 52.21 H new ATOM 0 HD23 LEU A 10 2.424 3.481 -6.381 1.00 52.21 H new ATOM 156 N TRP A 11 4.829 7.917 -6.471 1.00 34.22 N ATOM 157 CA TRP A 11 5.213 9.278 -6.115 1.00 22.50 C ATOM 158 C TRP A 11 3.999 10.173 -5.830 1.00 31.14 C ATOM 159 O TRP A 11 4.105 11.106 -5.030 1.00 22.43 O ATOM 160 CB TRP A 11 6.098 9.873 -7.215 1.00 22.42 C ATOM 161 CG TRP A 11 7.563 9.638 -7.029 1.00 2.02 C ATOM 162 CD1 TRP A 11 8.327 8.717 -7.661 1.00 23.35 C ATOM 163 CD2 TRP A 11 8.446 10.315 -6.087 1.00 42.14 C ATOM 164 NE1 TRP A 11 9.636 8.844 -7.234 1.00 72.42 N ATOM 165 CE2 TRP A 11 9.750 9.752 -6.201 1.00 74.24 C ATOM 166 CE3 TRP A 11 8.255 11.312 -5.106 1.00 61.20 C ATOM 167 CZ2 TRP A 11 10.797 10.125 -5.344 1.00 13.40 C ATOM 168 CZ3 TRP A 11 9.308 11.701 -4.258 1.00 2.10 C ATOM 169 CH2 TRP A 11 10.566 11.092 -4.358 1.00 10.33 C ATOM 0 H TRP A 11 5.126 7.636 -7.406 1.00 34.22 H new ATOM 0 HA TRP A 11 5.783 9.232 -5.187 1.00 22.50 H new ATOM 0 HB2 TRP A 11 5.795 9.453 -8.174 1.00 22.42 H new ATOM 0 HB3 TRP A 11 5.919 10.947 -7.266 1.00 22.42 H new ATOM 0 HD1 TRP A 11 7.971 7.998 -8.384 1.00 23.35 H new ATOM 0 HE1 TRP A 11 10.421 8.330 -7.633 1.00 72.42 H new ATOM 0 HE3 TRP A 11 7.288 11.782 -5.005 1.00 61.20 H new ATOM 0 HZ2 TRP A 11 11.772 9.670 -5.444 1.00 13.40 H new ATOM 0 HZ3 TRP A 11 9.145 12.476 -3.523 1.00 2.10 H new ATOM 0 HH2 TRP A 11 11.356 11.368 -3.676 1.00 10.33 H new ATOM 180 N ALA A 12 2.831 9.874 -6.404 1.00 11.25 N ATOM 181 CA ALA A 12 1.621 10.667 -6.214 1.00 61.52 C ATOM 182 C ALA A 12 1.200 10.751 -4.735 1.00 61.21 C ATOM 183 O ALA A 12 0.658 11.771 -4.304 1.00 25.42 O ATOM 184 CB ALA A 12 0.516 10.070 -7.091 1.00 61.40 C ATOM 0 H ALA A 12 2.701 9.069 -7.017 1.00 11.25 H new ATOM 0 HA ALA A 12 1.815 11.696 -6.516 1.00 61.52 H new ATOM 0 HB1 ALA A 12 -0.400 10.647 -6.965 1.00 61.40 H new ATOM 0 HB2 ALA A 12 0.824 10.101 -8.136 1.00 61.40 H new ATOM 0 HB3 ALA A 12 0.336 9.036 -6.796 1.00 61.40 H new ATOM 190 N ILE A 13 1.461 9.712 -3.936 1.00 31.22 N ATOM 191 CA ILE A 13 1.186 9.699 -2.501 1.00 14.14 C ATOM 192 C ILE A 13 2.174 10.639 -1.799 1.00 4.34 C ATOM 193 O ILE A 13 1.806 11.401 -0.902 1.00 1.30 O ATOM 194 CB ILE A 13 1.315 8.254 -1.959 1.00 12.00 C ATOM 195 CG1 ILE A 13 0.217 7.322 -2.508 1.00 73.10 C ATOM 196 CG2 ILE A 13 1.207 8.203 -0.431 1.00 42.20 C ATOM 197 CD1 ILE A 13 0.577 6.690 -3.849 1.00 42.20 C ATOM 0 H ILE A 13 1.876 8.844 -4.276 1.00 31.22 H new ATOM 0 HA ILE A 13 0.170 10.044 -2.308 1.00 14.14 H new ATOM 0 HB ILE A 13 2.298 7.919 -2.289 1.00 12.00 H new ATOM 0 HG12 ILE A 13 0.024 6.532 -1.782 1.00 73.10 H new ATOM 0 HG13 ILE A 13 -0.709 7.887 -2.617 1.00 73.10 H new ATOM 0 HG21 ILE A 13 1.303 7.171 -0.094 1.00 42.20 H new ATOM 0 HG22 ILE A 13 2.002 8.804 0.010 1.00 42.20 H new ATOM 0 HG23 ILE A 13 0.239 8.598 -0.121 1.00 42.20 H new ATOM 0 HD11 ILE A 13 -0.238 6.046 -4.178 1.00 42.20 H new ATOM 0 HD12 ILE A 13 0.742 7.474 -4.588 1.00 42.20 H new ATOM 0 HD13 ILE A 13 1.486 6.098 -3.740 1.00 42.20 H new ATOM 209 N LEU A 14 3.455 10.514 -2.155 1.00 0.30 N ATOM 210 CA LEU A 14 4.582 11.199 -1.563 1.00 21.14 C ATOM 211 C LEU A 14 4.473 12.699 -1.712 1.00 70.32 C ATOM 212 O LEU A 14 4.661 13.390 -0.716 1.00 21.54 O ATOM 213 CB LEU A 14 5.865 10.676 -2.215 1.00 11.05 C ATOM 214 CG LEU A 14 6.437 9.469 -1.479 1.00 32.34 C ATOM 215 CD1 LEU A 14 5.435 8.337 -1.270 1.00 34.23 C ATOM 216 CD2 LEU A 14 7.653 8.959 -2.248 1.00 62.44 C ATOM 0 H LEU A 14 3.739 9.891 -2.911 1.00 0.30 H new ATOM 0 HA LEU A 14 4.598 10.996 -0.492 1.00 21.14 H new ATOM 0 HB2 LEU A 14 5.659 10.404 -3.250 1.00 11.05 H new ATOM 0 HB3 LEU A 14 6.609 11.472 -2.237 1.00 11.05 H new ATOM 0 HG LEU A 14 6.714 9.804 -0.479 1.00 32.34 H new ATOM 0 HD11 LEU A 14 5.918 7.516 -0.740 1.00 34.23 H new ATOM 0 HD12 LEU A 14 4.592 8.701 -0.683 1.00 34.23 H new ATOM 0 HD13 LEU A 14 5.078 7.984 -2.237 1.00 34.23 H new ATOM 0 HD21 LEU A 14 8.073 8.095 -1.733 1.00 62.44 H new ATOM 0 HD22 LEU A 14 7.352 8.670 -3.255 1.00 62.44 H new ATOM 0 HD23 LEU A 14 8.404 9.747 -2.306 1.00 62.44 H new ATOM 228 N LYS A 15 4.206 13.193 -2.922 1.00 43.31 N ATOM 229 CA LYS A 15 4.145 14.624 -3.191 1.00 10.21 C ATOM 230 C LYS A 15 3.019 15.244 -2.366 1.00 20.11 C ATOM 231 O LYS A 15 3.257 15.777 -1.280 1.00 44.43 O ATOM 232 CB LYS A 15 3.990 14.875 -4.703 1.00 42.54 C ATOM 233 CG LYS A 15 5.161 14.354 -5.547 1.00 73.02 C ATOM 234 CD LYS A 15 6.494 15.053 -5.255 1.00 62.24 C ATOM 235 CE LYS A 15 7.529 14.684 -6.323 1.00 62.52 C ATOM 236 NZ LYS A 15 7.261 15.332 -7.623 1.00 24.31 N ATOM 0 H LYS A 15 4.027 12.610 -3.740 1.00 43.31 H new ATOM 0 HA LYS A 15 5.075 15.107 -2.891 1.00 10.21 H new ATOM 0 HB2 LYS A 15 3.070 14.402 -5.047 1.00 42.54 H new ATOM 0 HB3 LYS A 15 3.881 15.946 -4.874 1.00 42.54 H new ATOM 0 HG2 LYS A 15 5.276 13.285 -5.371 1.00 73.02 H new ATOM 0 HG3 LYS A 15 4.920 14.479 -6.603 1.00 73.02 H new ATOM 0 HD2 LYS A 15 6.350 16.133 -5.235 1.00 62.24 H new ATOM 0 HD3 LYS A 15 6.858 14.762 -4.270 1.00 62.24 H new ATOM 0 HE2 LYS A 15 8.522 14.971 -5.976 1.00 62.52 H new ATOM 0 HE3 LYS A 15 7.538 13.602 -6.456 1.00 62.52 H new ATOM 0 HZ1 LYS A 15 8.105 15.262 -8.226 1.00 24.31 H new ATOM 0 HZ2 LYS A 15 6.462 14.857 -8.089 1.00 24.31 H new ATOM 0 HZ3 LYS A 15 7.027 16.334 -7.470 1.00 24.31 H new ATOM 250 N ASP A 16 1.785 15.183 -2.868 1.00 3.44 N ATOM 251 CA ASP A 16 0.634 15.782 -2.192 1.00 31.31 C ATOM 252 C ASP A 16 -0.698 15.363 -2.827 1.00 53.14 C ATOM 253 O ASP A 16 -1.743 15.905 -2.471 1.00 2.23 O ATOM 254 CB ASP A 16 0.761 17.325 -2.238 1.00 1.35 C ATOM 255 CG ASP A 16 0.297 18.022 -0.960 1.00 34.23 C ATOM 256 OD1 ASP A 16 0.065 17.365 0.082 1.00 52.23 O ATOM 257 OD2 ASP A 16 0.233 19.276 -0.959 1.00 20.43 O ATOM 0 H ASP A 16 1.556 14.721 -3.748 1.00 3.44 H new ATOM 0 HA ASP A 16 0.634 15.425 -1.162 1.00 31.31 H new ATOM 0 HB2 ASP A 16 1.802 17.589 -2.427 1.00 1.35 H new ATOM 0 HB3 ASP A 16 0.179 17.703 -3.078 1.00 1.35 H new ATOM 262 N GLU A 17 -0.672 14.473 -3.825 1.00 64.41 N ATOM 263 CA GLU A 17 -1.699 14.337 -4.836 1.00 50.42 C ATOM 264 C GLU A 17 -2.740 13.308 -4.423 1.00 23.32 C ATOM 265 O GLU A 17 -3.918 13.654 -4.298 1.00 13.24 O ATOM 266 CB GLU A 17 -0.979 14.033 -6.158 1.00 63.33 C ATOM 267 CG GLU A 17 -1.828 13.269 -7.181 1.00 15.15 C ATOM 268 CD GLU A 17 -1.212 13.272 -8.583 1.00 2.14 C ATOM 269 OE1 GLU A 17 -0.098 13.823 -8.765 1.00 11.31 O ATOM 270 OE2 GLU A 17 -1.905 12.818 -9.517 1.00 62.22 O ATOM 0 H GLU A 17 0.094 13.811 -3.946 1.00 64.41 H new ATOM 0 HA GLU A 17 -2.278 15.252 -4.964 1.00 50.42 H new ATOM 0 HB2 GLU A 17 -0.653 14.972 -6.604 1.00 63.33 H new ATOM 0 HB3 GLU A 17 -0.081 13.453 -5.944 1.00 63.33 H new ATOM 0 HG2 GLU A 17 -1.953 12.239 -6.846 1.00 15.15 H new ATOM 0 HG3 GLU A 17 -2.823 13.713 -7.225 1.00 15.15 H new ATOM 277 N LEU A 18 -2.323 12.056 -4.199 1.00 34.34 N ATOM 278 CA LEU A 18 -3.289 11.088 -3.713 1.00 74.14 C ATOM 279 C LEU A 18 -3.676 11.488 -2.332 1.00 25.42 C ATOM 280 O LEU A 18 -2.876 11.963 -1.516 1.00 24.01 O ATOM 281 CB LEU A 18 -2.804 9.651 -3.628 1.00 73.41 C ATOM 282 CG LEU A 18 -3.292 8.850 -4.847 1.00 3.32 C ATOM 283 CD1 LEU A 18 -2.168 8.011 -5.363 1.00 1.40 C ATOM 284 CD2 LEU A 18 -4.554 8.019 -4.638 1.00 25.02 C ATOM 0 H LEU A 18 -1.374 11.710 -4.340 1.00 34.34 H new ATOM 0 HA LEU A 18 -4.101 11.100 -4.440 1.00 74.14 H new ATOM 0 HB2 LEU A 18 -1.715 9.630 -3.582 1.00 73.41 H new ATOM 0 HB3 LEU A 18 -3.171 9.190 -2.711 1.00 73.41 H new ATOM 0 HG LEU A 18 -3.598 9.590 -5.586 1.00 3.32 H new ATOM 0 HD11 LEU A 18 -2.507 7.440 -6.228 1.00 1.40 H new ATOM 0 HD12 LEU A 18 -1.338 8.654 -5.656 1.00 1.40 H new ATOM 0 HD13 LEU A 18 -1.838 7.325 -4.583 1.00 1.40 H new ATOM 0 HD21 LEU A 18 -4.804 7.498 -5.562 1.00 25.02 H new ATOM 0 HD22 LEU A 18 -4.383 7.290 -3.846 1.00 25.02 H new ATOM 0 HD23 LEU A 18 -5.378 8.674 -4.356 1.00 25.02 H new ATOM 296 N SER A 19 -4.921 11.165 -2.078 1.00 15.04 N ATOM 297 CA SER A 19 -5.563 11.629 -0.880 1.00 45.12 C ATOM 298 C SER A 19 -5.380 10.591 0.220 1.00 13.21 C ATOM 299 O SER A 19 -4.756 9.552 0.020 1.00 62.31 O ATOM 300 CB SER A 19 -7.015 11.995 -1.201 1.00 34.04 C ATOM 301 OG SER A 19 -7.585 12.902 -0.280 1.00 23.41 O ATOM 0 H SER A 19 -5.504 10.586 -2.683 1.00 15.04 H new ATOM 0 HA SER A 19 -5.108 12.542 -0.496 1.00 45.12 H new ATOM 0 HB2 SER A 19 -7.060 12.428 -2.200 1.00 34.04 H new ATOM 0 HB3 SER A 19 -7.615 11.085 -1.221 1.00 34.04 H new ATOM 0 HG SER A 19 -8.509 13.096 -0.541 1.00 23.41 H new ATOM 307 N ASP A 20 -5.896 10.888 1.406 1.00 50.04 N ATOM 308 CA ASP A 20 -5.798 10.004 2.563 1.00 13.33 C ATOM 309 C ASP A 20 -6.555 8.701 2.305 1.00 72.13 C ATOM 310 O ASP A 20 -5.943 7.637 2.267 1.00 31.22 O ATOM 311 CB ASP A 20 -6.225 10.716 3.858 1.00 3.30 C ATOM 312 CG ASP A 20 -7.393 11.685 3.705 1.00 31.12 C ATOM 313 OD1 ASP A 20 -8.503 11.286 3.300 1.00 51.31 O ATOM 314 OD2 ASP A 20 -7.226 12.876 4.057 1.00 42.13 O ATOM 0 H ASP A 20 -6.398 11.755 1.595 1.00 50.04 H new ATOM 0 HA ASP A 20 -4.752 9.735 2.712 1.00 13.33 H new ATOM 0 HB2 ASP A 20 -6.492 9.962 4.598 1.00 3.30 H new ATOM 0 HB3 ASP A 20 -5.369 11.262 4.254 1.00 3.30 H new ATOM 319 N ALA A 21 -7.866 8.764 2.072 1.00 33.42 N ATOM 320 CA ALA A 21 -8.651 7.593 1.693 1.00 71.44 C ATOM 321 C ALA A 21 -8.205 7.032 0.340 1.00 23.40 C ATOM 322 O ALA A 21 -8.165 5.815 0.153 1.00 23.21 O ATOM 323 CB ALA A 21 -10.131 7.982 1.630 1.00 21.22 C ATOM 0 H ALA A 21 -8.410 9.624 2.141 1.00 33.42 H new ATOM 0 HA ALA A 21 -8.496 6.816 2.442 1.00 71.44 H new ATOM 0 HB1 ALA A 21 -10.724 7.112 1.347 1.00 21.22 H new ATOM 0 HB2 ALA A 21 -10.455 8.340 2.607 1.00 21.22 H new ATOM 0 HB3 ALA A 21 -10.269 8.771 0.891 1.00 21.22 H new ATOM 329 N GLU A 22 -7.910 7.911 -0.616 1.00 11.45 N ATOM 330 CA GLU A 22 -7.666 7.520 -1.996 1.00 53.35 C ATOM 331 C GLU A 22 -6.359 6.740 -2.118 1.00 11.54 C ATOM 332 O GLU A 22 -6.327 5.725 -2.807 1.00 40.40 O ATOM 333 CB GLU A 22 -7.667 8.752 -2.907 1.00 31.01 C ATOM 334 CG GLU A 22 -9.028 9.450 -2.929 1.00 1.15 C ATOM 335 CD GLU A 22 -9.116 10.433 -4.096 1.00 34.11 C ATOM 336 OE1 GLU A 22 -9.463 9.984 -5.210 1.00 61.42 O ATOM 337 OE2 GLU A 22 -8.834 11.641 -3.901 1.00 61.33 O ATOM 0 H GLU A 22 -7.834 8.915 -0.452 1.00 11.45 H new ATOM 0 HA GLU A 22 -8.472 6.861 -2.317 1.00 53.35 H new ATOM 0 HB2 GLU A 22 -6.905 9.454 -2.567 1.00 31.01 H new ATOM 0 HB3 GLU A 22 -7.397 8.454 -3.920 1.00 31.01 H new ATOM 0 HG2 GLU A 22 -9.821 8.707 -3.013 1.00 1.15 H new ATOM 0 HG3 GLU A 22 -9.185 9.979 -1.989 1.00 1.15 H new ATOM 344 N ALA A 23 -5.293 7.146 -1.414 1.00 32.25 N ATOM 345 CA ALA A 23 -4.014 6.446 -1.498 1.00 11.23 C ATOM 346 C ALA A 23 -4.190 4.972 -1.083 1.00 4.14 C ATOM 347 O ALA A 23 -3.484 4.097 -1.592 1.00 52.21 O ATOM 348 CB ALA A 23 -2.986 7.085 -0.555 1.00 42.34 C ATOM 0 H ALA A 23 -5.295 7.950 -0.786 1.00 32.25 H new ATOM 0 HA ALA A 23 -3.664 6.512 -2.528 1.00 11.23 H new ATOM 0 HB1 ALA A 23 -2.040 6.550 -0.632 1.00 42.34 H new ATOM 0 HB2 ALA A 23 -2.836 8.128 -0.833 1.00 42.34 H new ATOM 0 HB3 ALA A 23 -3.351 7.032 0.471 1.00 42.34 H new ATOM 354 N ASN A 24 -5.118 4.713 -0.146 1.00 51.41 N ATOM 355 CA ASN A 24 -5.439 3.389 0.376 1.00 40.22 C ATOM 356 C ASN A 24 -6.081 2.530 -0.712 1.00 70.35 C ATOM 357 O ASN A 24 -5.754 1.352 -0.814 1.00 63.22 O ATOM 358 CB ASN A 24 -6.363 3.439 1.616 1.00 61.54 C ATOM 359 CG ASN A 24 -5.894 4.300 2.792 1.00 24.40 C ATOM 360 OD1 ASN A 24 -4.739 4.699 2.895 1.00 71.01 O ATOM 361 ND2 ASN A 24 -6.755 4.576 3.758 1.00 40.45 N ATOM 0 H ASN A 24 -5.680 5.451 0.278 1.00 51.41 H new ATOM 0 HA ASN A 24 -4.497 2.943 0.693 1.00 40.22 H new ATOM 0 HB2 ASN A 24 -7.340 3.802 1.297 1.00 61.54 H new ATOM 0 HB3 ASN A 24 -6.504 2.420 1.976 1.00 61.54 H new ATOM 0 HD21 ASN A 24 -6.454 5.113 4.572 1.00 40.45 H new ATOM 0 HD22 ASN A 24 -7.720 4.252 3.689 1.00 40.45 H new ATOM 368 N ALA A 25 -6.966 3.103 -1.536 1.00 11.33 N ATOM 369 CA ALA A 25 -7.693 2.373 -2.572 1.00 35.21 C ATOM 370 C ALA A 25 -6.746 1.605 -3.486 1.00 53.45 C ATOM 371 O ALA A 25 -6.994 0.440 -3.782 1.00 71.55 O ATOM 372 CB ALA A 25 -8.530 3.334 -3.423 1.00 34.43 C ATOM 0 H ALA A 25 -7.197 4.096 -1.499 1.00 11.33 H new ATOM 0 HA ALA A 25 -8.346 1.663 -2.064 1.00 35.21 H new ATOM 0 HB1 ALA A 25 -9.064 2.771 -4.189 1.00 34.43 H new ATOM 0 HB2 ALA A 25 -9.248 3.852 -2.787 1.00 34.43 H new ATOM 0 HB3 ALA A 25 -7.875 4.063 -3.899 1.00 34.43 H new ATOM 378 N LEU A 26 -5.665 2.242 -3.945 1.00 40.41 N ATOM 379 CA LEU A 26 -4.752 1.647 -4.916 1.00 10.13 C ATOM 380 C LEU A 26 -3.980 0.454 -4.344 1.00 52.04 C ATOM 381 O LEU A 26 -3.503 -0.394 -5.100 1.00 10.53 O ATOM 382 CB LEU A 26 -3.771 2.708 -5.407 1.00 72.22 C ATOM 383 CG LEU A 26 -4.421 3.973 -6.004 1.00 20.22 C ATOM 384 CD1 LEU A 26 -3.309 4.841 -6.578 1.00 31.35 C ATOM 385 CD2 LEU A 26 -5.450 3.701 -7.107 1.00 72.24 C ATOM 0 H LEU A 26 -5.401 3.183 -3.652 1.00 40.41 H new ATOM 0 HA LEU A 26 -5.354 1.273 -5.744 1.00 10.13 H new ATOM 0 HB2 LEU A 26 -3.133 3.004 -4.574 1.00 72.22 H new ATOM 0 HB3 LEU A 26 -3.123 2.261 -6.161 1.00 72.22 H new ATOM 0 HG LEU A 26 -4.968 4.460 -5.196 1.00 20.22 H new ATOM 0 HD11 LEU A 26 -3.739 5.745 -7.009 1.00 31.35 H new ATOM 0 HD12 LEU A 26 -2.613 5.112 -5.784 1.00 31.35 H new ATOM 0 HD13 LEU A 26 -2.778 4.287 -7.353 1.00 31.35 H new ATOM 0 HD21 LEU A 26 -5.855 4.646 -7.468 1.00 72.24 H new ATOM 0 HD22 LEU A 26 -4.969 3.174 -7.931 1.00 72.24 H new ATOM 0 HD23 LEU A 26 -6.259 3.089 -6.707 1.00 72.24 H new ATOM 397 N VAL A 27 -3.866 0.363 -3.022 1.00 0.11 N ATOM 398 CA VAL A 27 -3.364 -0.816 -2.323 1.00 63.20 C ATOM 399 C VAL A 27 -4.438 -1.906 -2.339 1.00 4.44 C ATOM 400 O VAL A 27 -4.147 -3.038 -2.725 1.00 74.04 O ATOM 401 CB VAL A 27 -2.950 -0.429 -0.890 1.00 75.12 C ATOM 402 CG1 VAL A 27 -2.457 -1.613 -0.048 1.00 52.41 C ATOM 403 CG2 VAL A 27 -1.858 0.645 -0.925 1.00 61.42 C ATOM 0 H VAL A 27 -4.126 1.123 -2.393 1.00 0.11 H new ATOM 0 HA VAL A 27 -2.480 -1.210 -2.824 1.00 63.20 H new ATOM 0 HB VAL A 27 -3.854 -0.049 -0.413 1.00 75.12 H new ATOM 0 HG11 VAL A 27 -2.184 -1.263 0.947 1.00 52.41 H new ATOM 0 HG12 VAL A 27 -3.250 -2.356 0.034 1.00 52.41 H new ATOM 0 HG13 VAL A 27 -1.587 -2.062 -0.526 1.00 52.41 H new ATOM 0 HG21 VAL A 27 -1.575 0.909 0.094 1.00 61.42 H new ATOM 0 HG22 VAL A 27 -0.987 0.261 -1.456 1.00 61.42 H new ATOM 0 HG23 VAL A 27 -2.234 1.530 -1.438 1.00 61.42 H new ATOM 413 N TRP A 28 -5.670 -1.569 -1.946 1.00 51.41 N ATOM 414 CA TRP A 28 -6.788 -2.502 -1.870 1.00 41.13 C ATOM 415 C TRP A 28 -6.980 -3.223 -3.212 1.00 24.20 C ATOM 416 O TRP A 28 -7.056 -4.458 -3.241 1.00 32.43 O ATOM 417 CB TRP A 28 -8.059 -1.750 -1.434 1.00 22.41 C ATOM 418 CG TRP A 28 -7.991 -0.917 -0.181 1.00 42.50 C ATOM 419 CD1 TRP A 28 -7.095 -1.026 0.830 1.00 45.21 C ATOM 420 CD2 TRP A 28 -8.951 0.089 0.263 1.00 45.05 C ATOM 421 NE1 TRP A 28 -7.391 -0.114 1.825 1.00 30.23 N ATOM 422 CE2 TRP A 28 -8.541 0.586 1.536 1.00 71.44 C ATOM 423 CE3 TRP A 28 -10.178 0.562 -0.246 1.00 75.43 C ATOM 424 CZ2 TRP A 28 -9.316 1.489 2.279 1.00 54.30 C ATOM 425 CZ3 TRP A 28 -10.994 1.421 0.513 1.00 62.43 C ATOM 426 CH2 TRP A 28 -10.576 1.859 1.780 1.00 2.12 C ATOM 0 H TRP A 28 -5.919 -0.620 -1.667 1.00 51.41 H new ATOM 0 HA TRP A 28 -6.575 -3.267 -1.123 1.00 41.13 H new ATOM 0 HB2 TRP A 28 -8.359 -1.097 -2.254 1.00 22.41 H new ATOM 0 HB3 TRP A 28 -8.854 -2.484 -1.304 1.00 22.41 H new ATOM 0 HD1 TRP A 28 -6.271 -1.723 0.854 1.00 45.21 H new ATOM 0 HE1 TRP A 28 -6.830 0.023 2.666 1.00 30.23 H new ATOM 0 HE3 TRP A 28 -10.496 0.260 -1.233 1.00 75.43 H new ATOM 0 HZ2 TRP A 28 -8.952 1.891 3.213 1.00 54.30 H new ATOM 0 HZ3 TRP A 28 -11.946 1.745 0.119 1.00 62.43 H new ATOM 0 HH2 TRP A 28 -11.227 2.484 2.374 1.00 2.12 H new ATOM 437 N GLN A 29 -6.992 -2.477 -4.328 1.00 53.24 N ATOM 438 CA GLN A 29 -7.136 -3.089 -5.652 1.00 21.01 C ATOM 439 C GLN A 29 -5.999 -4.078 -5.931 1.00 71.52 C ATOM 440 O GLN A 29 -6.268 -5.164 -6.434 1.00 64.20 O ATOM 441 CB GLN A 29 -7.266 -2.045 -6.781 1.00 12.33 C ATOM 442 CG GLN A 29 -6.180 -0.975 -6.819 1.00 23.44 C ATOM 443 CD GLN A 29 -6.163 -0.083 -8.063 1.00 1.23 C ATOM 444 OE1 GLN A 29 -5.176 0.596 -8.328 1.00 73.04 O ATOM 445 NE2 GLN A 29 -7.230 -0.010 -8.842 1.00 34.12 N ATOM 0 H GLN A 29 -6.905 -1.461 -4.338 1.00 53.24 H new ATOM 0 HA GLN A 29 -8.073 -3.645 -5.639 1.00 21.01 H new ATOM 0 HB2 GLN A 29 -7.268 -2.569 -7.737 1.00 12.33 H new ATOM 0 HB3 GLN A 29 -8.233 -1.552 -6.685 1.00 12.33 H new ATOM 0 HG2 GLN A 29 -6.293 -0.339 -5.941 1.00 23.44 H new ATOM 0 HG3 GLN A 29 -5.210 -1.466 -6.734 1.00 23.44 H new ATOM 0 HE21 GLN A 29 -8.055 -0.570 -8.630 1.00 34.12 H new ATOM 0 HE22 GLN A 29 -7.227 0.607 -9.654 1.00 34.12 H new ATOM 454 N ALA A 30 -4.749 -3.730 -5.609 1.00 43.15 N ATOM 455 CA ALA A 30 -3.569 -4.519 -5.956 1.00 15.02 C ATOM 456 C ALA A 30 -3.562 -5.891 -5.276 1.00 21.54 C ATOM 457 O ALA A 30 -3.276 -6.886 -5.955 1.00 62.20 O ATOM 458 CB ALA A 30 -2.309 -3.728 -5.604 1.00 2.53 C ATOM 0 H ALA A 30 -4.528 -2.879 -5.092 1.00 43.15 H new ATOM 0 HA ALA A 30 -3.594 -4.709 -7.029 1.00 15.02 H new ATOM 0 HB1 ALA A 30 -1.427 -4.315 -5.862 1.00 2.53 H new ATOM 0 HB2 ALA A 30 -2.299 -2.792 -6.163 1.00 2.53 H new ATOM 0 HB3 ALA A 30 -2.301 -3.512 -4.536 1.00 2.53 H new ATOM 464 N LEU A 31 -3.920 -5.952 -3.980 1.00 63.24 N ATOM 465 CA LEU A 31 -4.107 -7.230 -3.284 1.00 1.13 C ATOM 466 C LEU A 31 -5.200 -8.040 -3.979 1.00 31.15 C ATOM 467 O LEU A 31 -5.063 -9.255 -4.117 1.00 44.34 O ATOM 468 CB LEU A 31 -4.471 -7.065 -1.789 1.00 51.22 C ATOM 469 CG LEU A 31 -3.336 -6.846 -0.766 1.00 25.33 C ATOM 470 CD1 LEU A 31 -2.180 -7.833 -0.902 1.00 4.04 C ATOM 471 CD2 LEU A 31 -2.897 -5.389 -0.735 1.00 70.01 C ATOM 0 H LEU A 31 -4.084 -5.130 -3.398 1.00 63.24 H new ATOM 0 HA LEU A 31 -3.150 -7.750 -3.327 1.00 1.13 H new ATOM 0 HB2 LEU A 31 -5.156 -6.221 -1.708 1.00 51.22 H new ATOM 0 HB3 LEU A 31 -5.023 -7.954 -1.484 1.00 51.22 H new ATOM 0 HG LEU A 31 -3.753 -7.072 0.215 1.00 25.33 H new ATOM 0 HD11 LEU A 31 -1.424 -7.613 -0.149 1.00 4.04 H new ATOM 0 HD12 LEU A 31 -2.550 -8.848 -0.760 1.00 4.04 H new ATOM 0 HD13 LEU A 31 -1.740 -7.743 -1.895 1.00 4.04 H new ATOM 0 HD21 LEU A 31 -2.097 -5.266 -0.005 1.00 70.01 H new ATOM 0 HD22 LEU A 31 -2.537 -5.096 -1.721 1.00 70.01 H new ATOM 0 HD23 LEU A 31 -3.742 -4.760 -0.456 1.00 70.01 H new ATOM 483 N GLY A 32 -6.257 -7.365 -4.439 1.00 63.23 N ATOM 484 CA GLY A 32 -7.338 -7.940 -5.222 1.00 61.21 C ATOM 485 C GLY A 32 -8.716 -7.673 -4.643 1.00 64.10 C ATOM 486 O GLY A 32 -9.664 -8.310 -5.091 1.00 12.53 O ATOM 0 H GLY A 32 -6.382 -6.367 -4.266 1.00 63.23 H new ATOM 0 HA2 GLY A 32 -7.295 -7.540 -6.235 1.00 61.21 H new ATOM 0 HA3 GLY A 32 -7.187 -9.017 -5.298 1.00 61.21 H new ATOM 490 N TYR A 33 -8.834 -6.807 -3.633 1.00 32.34 N ATOM 491 CA TYR A 33 -10.022 -6.782 -2.798 1.00 13.30 C ATOM 492 C TYR A 33 -11.267 -6.379 -3.559 1.00 74.02 C ATOM 493 O TYR A 33 -12.202 -7.146 -3.534 1.00 65.23 O ATOM 494 CB TYR A 33 -9.814 -5.934 -1.552 1.00 50.53 C ATOM 495 CG TYR A 33 -9.076 -6.710 -0.488 1.00 52.20 C ATOM 496 CD1 TYR A 33 -9.787 -7.629 0.300 1.00 20.05 C ATOM 497 CD2 TYR A 33 -7.697 -6.533 -0.295 1.00 11.42 C ATOM 498 CE1 TYR A 33 -9.149 -8.305 1.350 1.00 44.42 C ATOM 499 CE2 TYR A 33 -7.034 -7.230 0.729 1.00 64.53 C ATOM 500 CZ TYR A 33 -7.773 -8.087 1.575 1.00 2.02 C ATOM 501 OH TYR A 33 -7.179 -8.658 2.650 1.00 61.24 O ATOM 0 H TYR A 33 -8.123 -6.121 -3.380 1.00 32.34 H new ATOM 0 HA TYR A 33 -10.190 -7.807 -2.469 1.00 13.30 H new ATOM 0 HB2 TYR A 33 -9.252 -5.036 -1.808 1.00 50.53 H new ATOM 0 HB3 TYR A 33 -10.779 -5.606 -1.165 1.00 50.53 H new ATOM 0 HD1 TYR A 33 -10.831 -7.816 0.096 1.00 20.05 H new ATOM 0 HD2 TYR A 33 -7.145 -5.860 -0.934 1.00 11.42 H new ATOM 0 HE1 TYR A 33 -9.704 -8.985 1.979 1.00 44.42 H new ATOM 0 HE2 TYR A 33 -5.970 -7.112 0.868 1.00 64.53 H new ATOM 0 HH TYR A 33 -6.948 -7.965 3.303 1.00 61.24 H new ATOM 511 N VAL A 34 -11.281 -5.256 -4.273 1.00 51.30 N ATOM 512 CA VAL A 34 -12.388 -4.775 -5.099 1.00 52.41 C ATOM 513 C VAL A 34 -13.734 -4.669 -4.352 1.00 24.12 C ATOM 514 O VAL A 34 -14.333 -5.649 -3.911 1.00 33.40 O ATOM 515 CB VAL A 34 -12.478 -5.638 -6.369 1.00 31.32 C ATOM 516 CG1 VAL A 34 -13.579 -5.120 -7.305 1.00 14.42 C ATOM 517 CG2 VAL A 34 -11.146 -5.656 -7.136 1.00 73.34 C ATOM 0 H VAL A 34 -10.480 -4.624 -4.293 1.00 51.30 H new ATOM 0 HA VAL A 34 -12.170 -3.744 -5.379 1.00 52.41 H new ATOM 0 HB VAL A 34 -12.716 -6.651 -6.046 1.00 31.32 H new ATOM 0 HG11 VAL A 34 -13.623 -5.746 -8.196 1.00 14.42 H new ATOM 0 HG12 VAL A 34 -14.539 -5.153 -6.790 1.00 14.42 H new ATOM 0 HG13 VAL A 34 -13.357 -4.093 -7.594 1.00 14.42 H new ATOM 0 HG21 VAL A 34 -11.248 -6.275 -8.027 1.00 73.34 H new ATOM 0 HG22 VAL A 34 -10.881 -4.640 -7.429 1.00 73.34 H new ATOM 0 HG23 VAL A 34 -10.364 -6.065 -6.497 1.00 73.34 H new ATOM 527 N TRP A 35 -14.264 -3.452 -4.249 1.00 14.44 N ATOM 528 CA TRP A 35 -15.646 -3.284 -3.834 1.00 52.10 C ATOM 529 C TRP A 35 -16.574 -3.887 -4.892 1.00 45.34 C ATOM 530 O TRP A 35 -16.618 -3.424 -6.038 1.00 61.02 O ATOM 531 CB TRP A 35 -15.945 -1.820 -3.556 1.00 34.23 C ATOM 532 CG TRP A 35 -17.350 -1.559 -3.123 1.00 3.22 C ATOM 533 CD1 TRP A 35 -18.341 -1.111 -3.920 1.00 10.34 C ATOM 534 CD2 TRP A 35 -17.954 -1.772 -1.815 1.00 3.12 C ATOM 535 NE1 TRP A 35 -19.495 -0.955 -3.181 1.00 12.13 N ATOM 536 CE2 TRP A 35 -19.307 -1.332 -1.872 1.00 11.52 C ATOM 537 CE3 TRP A 35 -17.496 -2.296 -0.588 1.00 44.45 C ATOM 538 CZ2 TRP A 35 -20.148 -1.357 -0.755 1.00 2.23 C ATOM 539 CZ3 TRP A 35 -18.331 -2.332 0.543 1.00 24.34 C ATOM 540 CH2 TRP A 35 -19.647 -1.847 0.460 1.00 40.34 C ATOM 0 H TRP A 35 -13.764 -2.585 -4.444 1.00 14.44 H new ATOM 0 HA TRP A 35 -15.821 -3.818 -2.900 1.00 52.10 H new ATOM 0 HB2 TRP A 35 -15.265 -1.461 -2.783 1.00 34.23 H new ATOM 0 HB3 TRP A 35 -15.739 -1.240 -4.456 1.00 34.23 H new ATOM 0 HD1 TRP A 35 -18.246 -0.906 -4.976 1.00 10.34 H new ATOM 0 HE1 TRP A 35 -20.376 -0.605 -3.558 1.00 12.13 H new ATOM 0 HE3 TRP A 35 -16.488 -2.676 -0.516 1.00 44.45 H new ATOM 0 HZ2 TRP A 35 -21.166 -1.005 -0.827 1.00 2.23 H new ATOM 0 HZ3 TRP A 35 -17.961 -2.732 1.475 1.00 24.34 H new ATOM 0 HH2 TRP A 35 -20.277 -1.852 1.337 1.00 40.34 H new ATOM 551 N ASP A 36 -17.273 -4.946 -4.498 1.00 1.34 N ATOM 552 CA ASP A 36 -18.363 -5.592 -5.219 1.00 42.23 C ATOM 553 C ASP A 36 -19.649 -4.913 -4.763 1.00 43.01 C ATOM 554 O ASP A 36 -20.254 -5.287 -3.759 1.00 35.54 O ATOM 555 CB ASP A 36 -18.392 -7.105 -4.931 1.00 63.34 C ATOM 556 CG ASP A 36 -18.743 -7.930 -6.171 1.00 72.23 C ATOM 557 OD1 ASP A 36 -19.910 -7.919 -6.627 1.00 34.24 O ATOM 558 OD2 ASP A 36 -17.847 -8.627 -6.702 1.00 44.44 O ATOM 0 H ASP A 36 -17.080 -5.406 -3.608 1.00 1.34 H new ATOM 0 HA ASP A 36 -18.237 -5.489 -6.297 1.00 42.23 H new ATOM 0 HB2 ASP A 36 -17.419 -7.419 -4.553 1.00 63.34 H new ATOM 0 HB3 ASP A 36 -19.120 -7.308 -4.145 1.00 63.34 H new ATOM 563 N GLU A 37 -20.055 -3.861 -5.466 1.00 25.41 N ATOM 564 CA GLU A 37 -21.227 -3.067 -5.117 1.00 52.44 C ATOM 565 C GLU A 37 -22.505 -3.903 -5.089 1.00 41.35 C ATOM 566 O GLU A 37 -23.362 -3.693 -4.234 1.00 52.40 O ATOM 567 CB GLU A 37 -21.312 -1.895 -6.098 1.00 15.12 C ATOM 568 CG GLU A 37 -22.614 -1.097 -6.010 1.00 11.40 C ATOM 569 CD GLU A 37 -22.414 0.238 -6.715 1.00 62.34 C ATOM 570 OE1 GLU A 37 -22.449 0.267 -7.967 1.00 62.23 O ATOM 571 OE2 GLU A 37 -22.099 1.238 -6.022 1.00 53.24 O ATOM 0 H GLU A 37 -19.574 -3.532 -6.303 1.00 25.41 H new ATOM 0 HA GLU A 37 -21.123 -2.683 -4.102 1.00 52.44 H new ATOM 0 HB2 GLU A 37 -20.474 -1.222 -5.917 1.00 15.12 H new ATOM 0 HB3 GLU A 37 -21.201 -2.276 -7.113 1.00 15.12 H new ATOM 0 HG2 GLU A 37 -23.430 -1.651 -6.474 1.00 11.40 H new ATOM 0 HG3 GLU A 37 -22.890 -0.937 -4.968 1.00 11.40 H new ATOM 578 N ALA A 38 -22.597 -4.901 -5.963 1.00 1.30 N ATOM 579 CA ALA A 38 -23.721 -5.822 -6.037 1.00 63.32 C ATOM 580 C ALA A 38 -23.854 -6.625 -4.741 1.00 33.52 C ATOM 581 O ALA A 38 -24.955 -7.038 -4.373 1.00 60.23 O ATOM 582 CB ALA A 38 -23.517 -6.758 -7.234 1.00 14.11 C ATOM 0 H ALA A 38 -21.873 -5.094 -6.655 1.00 1.30 H new ATOM 0 HA ALA A 38 -24.643 -5.256 -6.169 1.00 63.32 H new ATOM 0 HB1 ALA A 38 -24.354 -7.453 -7.299 1.00 14.11 H new ATOM 0 HB2 ALA A 38 -23.461 -6.170 -8.150 1.00 14.11 H new ATOM 0 HB3 ALA A 38 -22.590 -7.317 -7.105 1.00 14.11 H new ATOM 588 N GLN A 39 -22.747 -6.837 -4.029 1.00 53.21 N ATOM 589 CA GLN A 39 -22.714 -7.593 -2.786 1.00 13.23 C ATOM 590 C GLN A 39 -22.499 -6.661 -1.591 1.00 41.13 C ATOM 591 O GLN A 39 -22.603 -7.101 -0.448 1.00 21.30 O ATOM 592 CB GLN A 39 -21.699 -8.740 -2.903 1.00 2.33 C ATOM 593 CG GLN A 39 -22.174 -9.706 -3.989 1.00 20.31 C ATOM 594 CD GLN A 39 -21.170 -10.777 -4.378 1.00 50.22 C ATOM 595 OE1 GLN A 39 -21.124 -11.860 -3.795 1.00 32.13 O ATOM 596 NE2 GLN A 39 -20.400 -10.531 -5.423 1.00 60.41 N ATOM 0 H GLN A 39 -21.834 -6.480 -4.309 1.00 53.21 H new ATOM 0 HA GLN A 39 -23.678 -8.066 -2.601 1.00 13.23 H new ATOM 0 HB2 GLN A 39 -20.713 -8.348 -3.151 1.00 2.33 H new ATOM 0 HB3 GLN A 39 -21.605 -9.260 -1.950 1.00 2.33 H new ATOM 0 HG2 GLN A 39 -23.088 -10.192 -3.647 1.00 20.31 H new ATOM 0 HG3 GLN A 39 -22.432 -9.131 -4.878 1.00 20.31 H new ATOM 0 HE21 GLN A 39 -20.452 -9.627 -5.893 1.00 60.41 H new ATOM 0 HE22 GLN A 39 -19.753 -11.245 -5.759 1.00 60.41 H new ATOM 605 N SER A 40 -22.269 -5.366 -1.839 1.00 73.30 N ATOM 606 CA SER A 40 -21.907 -4.341 -0.884 1.00 21.05 C ATOM 607 C SER A 40 -20.804 -4.844 0.058 1.00 14.42 C ATOM 608 O SER A 40 -20.832 -4.584 1.268 1.00 72.24 O ATOM 609 CB SER A 40 -23.169 -3.758 -0.235 1.00 42.32 C ATOM 610 OG SER A 40 -24.007 -4.733 0.365 1.00 42.34 O ATOM 0 H SER A 40 -22.339 -4.992 -2.785 1.00 73.30 H new ATOM 0 HA SER A 40 -21.445 -3.485 -1.375 1.00 21.05 H new ATOM 0 HB2 SER A 40 -22.874 -3.031 0.521 1.00 42.32 H new ATOM 0 HB3 SER A 40 -23.739 -3.218 -0.991 1.00 42.32 H new ATOM 0 HG SER A 40 -24.789 -4.294 0.759 1.00 42.34 H new ATOM 616 N CYS A 41 -19.863 -5.602 -0.516 1.00 64.53 N ATOM 617 CA CYS A 41 -18.773 -6.242 0.191 1.00 55.14 C ATOM 618 C CYS A 41 -17.507 -6.114 -0.639 1.00 63.40 C ATOM 619 O CYS A 41 -17.534 -5.863 -1.841 1.00 4.10 O ATOM 620 CB CYS A 41 -19.085 -7.730 0.425 1.00 60.13 C ATOM 621 SG CYS A 41 -20.246 -7.944 1.797 1.00 62.15 S ATOM 0 H CYS A 41 -19.848 -5.786 -1.519 1.00 64.53 H new ATOM 0 HA CYS A 41 -18.639 -5.758 1.159 1.00 55.14 H new ATOM 0 HB2 CYS A 41 -19.505 -8.164 -0.482 1.00 60.13 H new ATOM 0 HB3 CYS A 41 -18.162 -8.269 0.638 1.00 60.13 H new ATOM 0 HG CYS A 41 -21.454 -7.697 1.386 1.00 62.15 H new ATOM 627 N TRP A 42 -16.391 -6.348 0.028 1.00 12.41 N ATOM 628 CA TRP A 42 -15.060 -6.409 -0.533 1.00 13.15 C ATOM 629 C TRP A 42 -14.814 -7.846 -0.976 1.00 73.22 C ATOM 630 O TRP A 42 -14.873 -8.752 -0.135 1.00 12.43 O ATOM 631 CB TRP A 42 -14.118 -6.025 0.600 1.00 61.10 C ATOM 632 CG TRP A 42 -14.300 -4.612 1.049 1.00 40.30 C ATOM 633 CD1 TRP A 42 -14.989 -4.224 2.146 1.00 53.20 C ATOM 634 CD2 TRP A 42 -13.933 -3.389 0.355 1.00 54.24 C ATOM 635 NE1 TRP A 42 -15.071 -2.848 2.177 1.00 33.43 N ATOM 636 CE2 TRP A 42 -14.427 -2.277 1.099 1.00 63.32 C ATOM 637 CE3 TRP A 42 -13.288 -3.120 -0.867 1.00 65.01 C ATOM 638 CZ2 TRP A 42 -14.254 -0.957 0.660 1.00 34.41 C ATOM 639 CZ3 TRP A 42 -13.078 -1.799 -1.301 1.00 32.12 C ATOM 640 CH2 TRP A 42 -13.567 -0.721 -0.542 1.00 3.40 C ATOM 0 H TRP A 42 -16.394 -6.510 1.035 1.00 12.41 H new ATOM 0 HA TRP A 42 -14.917 -5.749 -1.389 1.00 13.15 H new ATOM 0 HB2 TRP A 42 -14.281 -6.694 1.445 1.00 61.10 H new ATOM 0 HB3 TRP A 42 -13.088 -6.168 0.274 1.00 61.10 H new ATOM 0 HD1 TRP A 42 -15.410 -4.890 2.885 1.00 53.20 H new ATOM 0 HE1 TRP A 42 -15.548 -2.318 2.906 1.00 33.43 H new ATOM 0 HE3 TRP A 42 -12.949 -3.941 -1.481 1.00 65.01 H new ATOM 0 HZ2 TRP A 42 -14.644 -0.132 1.238 1.00 34.41 H new ATOM 0 HZ3 TRP A 42 -12.540 -1.612 -2.219 1.00 32.12 H new ATOM 0 HH2 TRP A 42 -13.414 0.292 -0.884 1.00 3.40 H new ATOM 651 N LYS A 43 -14.557 -8.086 -2.265 1.00 24.32 N ATOM 652 CA LYS A 43 -14.239 -9.385 -2.775 1.00 23.44 C ATOM 653 C LYS A 43 -13.031 -9.965 -2.050 1.00 3.33 C ATOM 654 O LYS A 43 -12.131 -9.263 -1.589 1.00 44.22 O ATOM 655 CB LYS A 43 -13.953 -9.235 -4.283 1.00 73.11 C ATOM 656 CG LYS A 43 -14.761 -10.286 -4.991 1.00 65.22 C ATOM 657 CD LYS A 43 -14.317 -10.553 -6.435 1.00 72.34 C ATOM 658 CE LYS A 43 -15.154 -9.664 -7.347 1.00 33.43 C ATOM 659 NZ LYS A 43 -14.853 -9.810 -8.778 1.00 53.30 N ATOM 0 H LYS A 43 -14.569 -7.358 -2.980 1.00 24.32 H new ATOM 0 HA LYS A 43 -15.070 -10.071 -2.615 1.00 23.44 H new ATOM 0 HB2 LYS A 43 -14.227 -8.239 -4.630 1.00 73.11 H new ATOM 0 HB3 LYS A 43 -12.890 -9.363 -4.488 1.00 73.11 H new ATOM 0 HG2 LYS A 43 -14.701 -11.216 -4.426 1.00 65.22 H new ATOM 0 HG3 LYS A 43 -15.808 -9.982 -4.995 1.00 65.22 H new ATOM 0 HD2 LYS A 43 -13.256 -10.334 -6.556 1.00 72.34 H new ATOM 0 HD3 LYS A 43 -14.457 -11.603 -6.691 1.00 72.34 H new ATOM 0 HE2 LYS A 43 -16.208 -9.888 -7.185 1.00 33.43 H new ATOM 0 HE3 LYS A 43 -15.001 -8.624 -7.060 1.00 33.43 H new ATOM 0 HZ1 LYS A 43 -15.464 -9.173 -9.328 1.00 53.30 H new ATOM 0 HZ2 LYS A 43 -13.856 -9.568 -8.950 1.00 53.30 H new ATOM 0 HZ3 LYS A 43 -15.026 -10.793 -9.071 1.00 53.30 H new ATOM 673 N THR A 44 -12.974 -11.288 -2.020 1.00 30.52 N ATOM 674 CA THR A 44 -11.880 -12.007 -1.389 1.00 43.54 C ATOM 675 C THR A 44 -11.347 -13.117 -2.302 1.00 31.14 C ATOM 676 O THR A 44 -10.369 -13.776 -1.968 1.00 14.21 O ATOM 677 CB THR A 44 -12.349 -12.459 0.004 1.00 52.43 C ATOM 678 OG1 THR A 44 -13.604 -13.119 -0.028 1.00 41.40 O ATOM 679 CG2 THR A 44 -12.487 -11.264 0.949 1.00 2.43 C ATOM 0 H THR A 44 -13.685 -11.892 -2.432 1.00 30.52 H new ATOM 0 HA THR A 44 -11.011 -11.367 -1.237 1.00 43.54 H new ATOM 0 HB THR A 44 -11.586 -13.153 0.358 1.00 52.43 H new ATOM 0 HG1 THR A 44 -13.856 -13.387 0.880 1.00 41.40 H new ATOM 0 HG21 THR A 44 -12.820 -11.610 1.927 1.00 2.43 H new ATOM 0 HG22 THR A 44 -11.523 -10.766 1.049 1.00 2.43 H new ATOM 0 HG23 THR A 44 -13.217 -10.563 0.545 1.00 2.43 H new ATOM 687 N ASP A 45 -11.938 -13.294 -3.488 1.00 14.54 N ATOM 688 CA ASP A 45 -11.580 -14.334 -4.447 1.00 52.20 C ATOM 689 C ASP A 45 -10.219 -14.033 -5.032 1.00 22.32 C ATOM 690 O ASP A 45 -9.358 -14.903 -5.114 1.00 60.33 O ATOM 691 CB ASP A 45 -12.585 -14.344 -5.613 1.00 51.44 C ATOM 692 CG ASP A 45 -13.456 -15.595 -5.688 1.00 63.20 C ATOM 693 OD1 ASP A 45 -13.045 -16.668 -5.194 1.00 33.12 O ATOM 694 OD2 ASP A 45 -14.526 -15.516 -6.331 1.00 63.41 O ATOM 0 H ASP A 45 -12.700 -12.699 -3.813 1.00 14.54 H new ATOM 0 HA ASP A 45 -11.582 -15.294 -3.930 1.00 52.20 H new ATOM 0 HB2 ASP A 45 -13.232 -13.471 -5.526 1.00 51.44 H new ATOM 0 HB3 ASP A 45 -12.037 -14.242 -6.549 1.00 51.44 H new ATOM 699 N LEU A 46 -10.049 -12.784 -5.476 1.00 21.23 N ATOM 700 CA LEU A 46 -8.877 -12.368 -6.223 1.00 45.34 C ATOM 701 C LEU A 46 -7.688 -12.103 -5.299 1.00 12.42 C ATOM 702 O LEU A 46 -6.636 -11.675 -5.777 1.00 65.23 O ATOM 703 CB LEU A 46 -9.173 -11.118 -7.063 1.00 3.03 C ATOM 704 CG LEU A 46 -10.337 -11.229 -8.056 1.00 25.10 C ATOM 705 CD1 LEU A 46 -10.418 -9.936 -8.870 1.00 34.24 C ATOM 706 CD2 LEU A 46 -10.156 -12.406 -9.013 1.00 1.45 C ATOM 0 H LEU A 46 -10.727 -12.037 -5.323 1.00 21.23 H new ATOM 0 HA LEU A 46 -8.616 -13.188 -6.892 1.00 45.34 H new ATOM 0 HB2 LEU A 46 -9.379 -10.290 -6.384 1.00 3.03 H new ATOM 0 HB3 LEU A 46 -8.272 -10.858 -7.619 1.00 3.03 H new ATOM 0 HG LEU A 46 -11.253 -11.392 -7.488 1.00 25.10 H new ATOM 0 HD11 LEU A 46 -11.243 -10.004 -9.580 1.00 34.24 H new ATOM 0 HD12 LEU A 46 -10.585 -9.093 -8.199 1.00 34.24 H new ATOM 0 HD13 LEU A 46 -9.484 -9.788 -9.412 1.00 34.24 H new ATOM 0 HD21 LEU A 46 -11.001 -12.450 -9.700 1.00 1.45 H new ATOM 0 HD22 LEU A 46 -9.234 -12.276 -9.580 1.00 1.45 H new ATOM 0 HD23 LEU A 46 -10.103 -13.334 -8.443 1.00 1.45 H new ATOM 718 N VAL A 47 -7.880 -12.287 -3.993 1.00 42.33 N ATOM 719 CA VAL A 47 -6.925 -11.963 -2.948 1.00 75.53 C ATOM 720 C VAL A 47 -6.206 -13.253 -2.550 1.00 31.03 C ATOM 721 O VAL A 47 -6.793 -14.336 -2.571 1.00 4.11 O ATOM 722 CB VAL A 47 -7.665 -11.328 -1.752 1.00 3.14 C ATOM 723 CG1 VAL A 47 -6.683 -10.771 -0.709 1.00 61.02 C ATOM 724 CG2 VAL A 47 -8.630 -10.201 -2.146 1.00 32.53 C ATOM 0 H VAL A 47 -8.745 -12.683 -3.625 1.00 42.33 H new ATOM 0 HA VAL A 47 -6.188 -11.239 -3.297 1.00 75.53 H new ATOM 0 HB VAL A 47 -8.250 -12.146 -1.331 1.00 3.14 H new ATOM 0 HG11 VAL A 47 -7.241 -10.332 0.118 1.00 61.02 H new ATOM 0 HG12 VAL A 47 -6.054 -11.578 -0.334 1.00 61.02 H new ATOM 0 HG13 VAL A 47 -6.057 -10.007 -1.170 1.00 61.02 H new ATOM 0 HG21 VAL A 47 -9.112 -9.805 -1.252 1.00 32.53 H new ATOM 0 HG22 VAL A 47 -8.076 -9.404 -2.642 1.00 32.53 H new ATOM 0 HG23 VAL A 47 -9.389 -10.592 -2.824 1.00 32.53 H new ATOM 734 N ALA A 48 -4.938 -13.142 -2.152 1.00 43.31 N ATOM 735 CA ALA A 48 -4.205 -14.263 -1.584 1.00 42.40 C ATOM 736 C ALA A 48 -4.876 -14.721 -0.273 1.00 12.33 C ATOM 737 O ALA A 48 -5.332 -13.875 0.511 1.00 32.13 O ATOM 738 CB ALA A 48 -2.760 -13.823 -1.335 1.00 24.31 C ATOM 0 H ALA A 48 -4.398 -12.279 -2.215 1.00 43.31 H new ATOM 0 HA ALA A 48 -4.211 -15.107 -2.274 1.00 42.40 H new ATOM 0 HB1 ALA A 48 -2.195 -14.652 -0.909 1.00 24.31 H new ATOM 0 HB2 ALA A 48 -2.304 -13.520 -2.278 1.00 24.31 H new ATOM 0 HB3 ALA A 48 -2.750 -12.983 -0.641 1.00 24.31 H new ATOM 744 N PRO A 49 -4.875 -16.030 0.038 1.00 61.24 N ATOM 745 CA PRO A 49 -5.482 -16.566 1.249 1.00 2.23 C ATOM 746 C PRO A 49 -4.760 -16.051 2.481 1.00 52.04 C ATOM 747 O PRO A 49 -5.407 -15.869 3.502 1.00 45.51 O ATOM 748 CB PRO A 49 -5.435 -18.087 1.125 1.00 12.30 C ATOM 749 CG PRO A 49 -4.248 -18.323 0.201 1.00 33.35 C ATOM 750 CD PRO A 49 -4.224 -17.094 -0.705 1.00 32.02 C ATOM 0 HA PRO A 49 -6.517 -16.242 1.362 1.00 2.23 H new ATOM 0 HB2 PRO A 49 -5.293 -18.566 2.094 1.00 12.30 H new ATOM 0 HB3 PRO A 49 -6.358 -18.486 0.705 1.00 12.30 H new ATOM 0 HG2 PRO A 49 -3.319 -18.421 0.763 1.00 33.35 H new ATOM 0 HG3 PRO A 49 -4.369 -19.240 -0.376 1.00 33.35 H new ATOM 0 HD2 PRO A 49 -3.201 -16.820 -0.962 1.00 32.02 H new ATOM 0 HD3 PRO A 49 -4.746 -17.291 -1.641 1.00 32.02 H new ATOM 758 N GLU A 50 -3.467 -15.729 2.395 1.00 22.50 N ATOM 759 CA GLU A 50 -2.731 -15.212 3.533 1.00 32.32 C ATOM 760 C GLU A 50 -3.277 -13.851 3.989 1.00 53.55 C ATOM 761 O GLU A 50 -3.089 -13.511 5.152 1.00 44.51 O ATOM 762 CB GLU A 50 -1.230 -15.177 3.201 1.00 54.02 C ATOM 763 CG GLU A 50 -0.839 -14.088 2.194 1.00 12.03 C ATOM 764 CD GLU A 50 0.552 -14.325 1.593 1.00 1.42 C ATOM 765 OE1 GLU A 50 1.499 -14.626 2.358 1.00 41.43 O ATOM 766 OE2 GLU A 50 0.692 -14.195 0.354 1.00 31.54 O ATOM 0 H GLU A 50 -2.914 -15.820 1.543 1.00 22.50 H new ATOM 0 HA GLU A 50 -2.868 -15.880 4.383 1.00 32.32 H new ATOM 0 HB2 GLU A 50 -0.668 -15.024 4.122 1.00 54.02 H new ATOM 0 HB3 GLU A 50 -0.933 -16.148 2.804 1.00 54.02 H new ATOM 0 HG2 GLU A 50 -1.578 -14.054 1.393 1.00 12.03 H new ATOM 0 HG3 GLU A 50 -0.859 -13.116 2.687 1.00 12.03 H new ATOM 773 N TRP A 51 -3.966 -13.098 3.118 1.00 1.44 N ATOM 774 CA TRP A 51 -4.603 -11.816 3.417 1.00 12.54 C ATOM 775 C TRP A 51 -6.074 -12.009 3.768 1.00 23.14 C ATOM 776 O TRP A 51 -6.469 -11.777 4.912 1.00 2.30 O ATOM 777 CB TRP A 51 -4.462 -10.871 2.220 1.00 42.53 C ATOM 778 CG TRP A 51 -3.216 -10.065 2.232 1.00 74.32 C ATOM 779 CD1 TRP A 51 -2.052 -10.454 1.683 1.00 52.01 C ATOM 780 CD2 TRP A 51 -2.995 -8.727 2.766 1.00 5.53 C ATOM 781 NE1 TRP A 51 -1.102 -9.481 1.893 1.00 23.21 N ATOM 782 CE2 TRP A 51 -1.623 -8.391 2.556 1.00 14.43 C ATOM 783 CE3 TRP A 51 -3.811 -7.750 3.380 1.00 53.50 C ATOM 784 CZ2 TRP A 51 -1.078 -7.164 2.963 1.00 0.22 C ATOM 785 CZ3 TRP A 51 -3.292 -6.493 3.733 1.00 42.11 C ATOM 786 CH2 TRP A 51 -1.935 -6.203 3.525 1.00 3.45 C ATOM 0 H TRP A 51 -4.097 -13.382 2.147 1.00 1.44 H new ATOM 0 HA TRP A 51 -4.104 -11.375 4.280 1.00 12.54 H new ATOM 0 HB2 TRP A 51 -4.495 -11.457 1.301 1.00 42.53 H new ATOM 0 HB3 TRP A 51 -5.318 -10.197 2.199 1.00 42.53 H new ATOM 0 HD1 TRP A 51 -1.888 -11.384 1.159 1.00 52.01 H new ATOM 0 HE1 TRP A 51 -0.130 -9.557 1.594 1.00 23.21 H new ATOM 0 HE3 TRP A 51 -4.849 -7.973 3.581 1.00 53.50 H new ATOM 0 HZ2 TRP A 51 -0.023 -6.963 2.847 1.00 0.22 H new ATOM 0 HZ3 TRP A 51 -3.941 -5.746 4.167 1.00 42.11 H new ATOM 0 HH2 TRP A 51 -1.546 -5.233 3.799 1.00 3.45 H new ATOM 797 N ARG A 52 -6.887 -12.474 2.809 1.00 34.11 N ATOM 798 CA ARG A 52 -8.333 -12.684 3.000 1.00 32.11 C ATOM 799 C ARG A 52 -8.652 -13.777 4.026 1.00 4.21 C ATOM 800 O ARG A 52 -9.813 -14.118 4.219 1.00 41.42 O ATOM 801 CB ARG A 52 -9.033 -12.934 1.657 1.00 2.32 C ATOM 802 CG ARG A 52 -8.601 -14.216 0.922 1.00 72.13 C ATOM 803 CD ARG A 52 -9.719 -15.253 0.756 1.00 74.04 C ATOM 804 NE ARG A 52 -10.116 -15.852 2.044 1.00 50.24 N ATOM 805 CZ ARG A 52 -11.244 -16.503 2.352 1.00 22.23 C ATOM 806 NH1 ARG A 52 -12.119 -16.863 1.418 1.00 52.35 N ATOM 807 NH2 ARG A 52 -11.472 -16.809 3.624 1.00 61.02 N ATOM 0 H ARG A 52 -6.560 -12.717 1.874 1.00 34.11 H new ATOM 0 HA ARG A 52 -8.732 -11.761 3.422 1.00 32.11 H new ATOM 0 HB2 ARG A 52 -10.109 -12.977 1.828 1.00 2.32 H new ATOM 0 HB3 ARG A 52 -8.848 -12.080 1.005 1.00 2.32 H new ATOM 0 HG2 ARG A 52 -8.222 -13.946 -0.064 1.00 72.13 H new ATOM 0 HG3 ARG A 52 -7.775 -14.673 1.467 1.00 72.13 H new ATOM 0 HD2 ARG A 52 -10.586 -14.780 0.294 1.00 74.04 H new ATOM 0 HD3 ARG A 52 -9.386 -16.039 0.078 1.00 74.04 H new ATOM 0 HE ARG A 52 -9.440 -15.757 2.802 1.00 50.24 H new ATOM 0 HH11 ARG A 52 -11.938 -16.644 0.438 1.00 52.35 H new ATOM 0 HH12 ARG A 52 -12.971 -17.358 1.681 1.00 52.35 H new ATOM 0 HH21 ARG A 52 -10.795 -16.548 4.341 1.00 61.02 H new ATOM 0 HH22 ARG A 52 -12.324 -17.305 3.884 1.00 61.02 H new ATOM 821 N GLN A 53 -7.632 -14.341 4.657 1.00 20.11 N ATOM 822 CA GLN A 53 -7.675 -15.197 5.822 1.00 10.12 C ATOM 823 C GLN A 53 -8.638 -14.625 6.854 1.00 1.43 C ATOM 824 O GLN A 53 -9.499 -15.343 7.346 1.00 41.44 O ATOM 825 CB GLN A 53 -6.241 -15.227 6.396 1.00 42.34 C ATOM 826 CG GLN A 53 -5.698 -16.644 6.547 1.00 2.53 C ATOM 827 CD GLN A 53 -4.223 -16.636 6.949 1.00 41.15 C ATOM 828 OE1 GLN A 53 -3.418 -17.406 6.421 1.00 32.44 O ATOM 829 NE2 GLN A 53 -3.827 -15.833 7.930 1.00 51.04 N ATOM 0 H GLN A 53 -6.675 -14.196 4.336 1.00 20.11 H new ATOM 0 HA GLN A 53 -8.019 -16.199 5.565 1.00 10.12 H new ATOM 0 HB2 GLN A 53 -5.580 -14.657 5.743 1.00 42.34 H new ATOM 0 HB3 GLN A 53 -6.232 -14.733 7.368 1.00 42.34 H new ATOM 0 HG2 GLN A 53 -6.279 -17.180 7.298 1.00 2.53 H new ATOM 0 HG3 GLN A 53 -5.818 -17.183 5.607 1.00 2.53 H new ATOM 0 HE21 GLN A 53 -4.492 -15.196 8.367 1.00 51.04 H new ATOM 0 HE22 GLN A 53 -2.857 -15.854 8.246 1.00 51.04 H new ATOM 838 N ASP A 54 -8.484 -13.340 7.174 1.00 3.35 N ATOM 839 CA ASP A 54 -9.088 -12.746 8.360 1.00 73.03 C ATOM 840 C ASP A 54 -9.491 -11.294 8.082 1.00 30.25 C ATOM 841 O ASP A 54 -9.835 -10.561 9.003 1.00 24.12 O ATOM 842 CB ASP A 54 -8.084 -12.806 9.523 1.00 42.22 C ATOM 843 CG ASP A 54 -7.867 -14.217 10.070 1.00 41.24 C ATOM 844 OD1 ASP A 54 -8.734 -14.746 10.806 1.00 21.23 O ATOM 845 OD2 ASP A 54 -6.766 -14.764 9.818 1.00 15.32 O ATOM 0 H ASP A 54 -7.937 -12.684 6.617 1.00 3.35 H new ATOM 0 HA ASP A 54 -9.985 -13.305 8.626 1.00 73.03 H new ATOM 0 HB2 ASP A 54 -7.128 -12.404 9.188 1.00 42.22 H new ATOM 0 HB3 ASP A 54 -8.436 -12.162 10.329 1.00 42.22 H new ATOM 850 N TYR A 55 -9.408 -10.852 6.821 1.00 13.24 N ATOM 851 CA TYR A 55 -9.628 -9.477 6.396 1.00 25.51 C ATOM 852 C TYR A 55 -10.932 -9.428 5.591 1.00 63.21 C ATOM 853 O TYR A 55 -10.883 -9.588 4.372 1.00 44.41 O ATOM 854 CB TYR A 55 -8.437 -8.971 5.565 1.00 31.11 C ATOM 855 CG TYR A 55 -7.277 -8.446 6.386 1.00 20.05 C ATOM 856 CD1 TYR A 55 -6.534 -9.317 7.204 1.00 22.12 C ATOM 857 CD2 TYR A 55 -6.972 -7.070 6.371 1.00 34.41 C ATOM 858 CE1 TYR A 55 -5.519 -8.814 8.034 1.00 34.14 C ATOM 859 CE2 TYR A 55 -5.957 -6.563 7.195 1.00 74.15 C ATOM 860 CZ TYR A 55 -5.225 -7.433 8.031 1.00 2.04 C ATOM 861 OH TYR A 55 -4.239 -6.935 8.827 1.00 1.24 O ATOM 0 H TYR A 55 -9.177 -11.471 6.044 1.00 13.24 H new ATOM 0 HA TYR A 55 -9.712 -8.823 7.264 1.00 25.51 H new ATOM 0 HB2 TYR A 55 -8.080 -9.784 4.933 1.00 31.11 H new ATOM 0 HB3 TYR A 55 -8.784 -8.179 4.901 1.00 31.11 H new ATOM 0 HD1 TYR A 55 -6.745 -10.376 7.194 1.00 22.12 H new ATOM 0 HD2 TYR A 55 -7.522 -6.404 5.723 1.00 34.41 H new ATOM 0 HE1 TYR A 55 -4.964 -9.483 8.674 1.00 34.14 H new ATOM 0 HE2 TYR A 55 -5.735 -5.506 7.190 1.00 74.15 H new ATOM 0 HH TYR A 55 -4.172 -5.966 8.697 1.00 1.24 H new ATOM 871 N PRO A 56 -12.113 -9.289 6.216 1.00 64.32 N ATOM 872 CA PRO A 56 -13.336 -8.956 5.498 1.00 53.52 C ATOM 873 C PRO A 56 -13.317 -7.535 4.929 1.00 53.41 C ATOM 874 O PRO A 56 -14.024 -7.273 3.958 1.00 74.41 O ATOM 875 CB PRO A 56 -14.469 -9.135 6.516 1.00 23.21 C ATOM 876 CG PRO A 56 -13.783 -8.907 7.861 1.00 0.11 C ATOM 877 CD PRO A 56 -12.386 -9.477 7.629 1.00 14.43 C ATOM 0 HA PRO A 56 -13.461 -9.602 4.629 1.00 53.52 H new ATOM 0 HB2 PRO A 56 -15.274 -8.419 6.350 1.00 23.21 H new ATOM 0 HB3 PRO A 56 -14.910 -10.130 6.454 1.00 23.21 H new ATOM 0 HG2 PRO A 56 -13.750 -7.850 8.124 1.00 0.11 H new ATOM 0 HG3 PRO A 56 -14.300 -9.421 8.671 1.00 0.11 H new ATOM 0 HD2 PRO A 56 -11.647 -8.962 8.242 1.00 14.43 H new ATOM 0 HD3 PRO A 56 -12.344 -10.532 7.898 1.00 14.43 H new ATOM 885 N GLU A 57 -12.519 -6.618 5.473 1.00 52.44 N ATOM 886 CA GLU A 57 -12.648 -5.180 5.239 1.00 22.13 C ATOM 887 C GLU A 57 -11.274 -4.525 5.102 1.00 23.53 C ATOM 888 O GLU A 57 -10.267 -5.113 5.518 1.00 31.34 O ATOM 889 CB GLU A 57 -13.476 -4.568 6.381 1.00 32.35 C ATOM 890 CG GLU A 57 -14.914 -4.337 5.886 1.00 63.15 C ATOM 891 CD GLU A 57 -15.999 -4.344 6.959 1.00 22.42 C ATOM 892 OE1 GLU A 57 -15.707 -4.686 8.128 1.00 14.14 O ATOM 893 OE2 GLU A 57 -17.185 -4.178 6.569 1.00 33.32 O ATOM 0 H GLU A 57 -11.751 -6.857 6.100 1.00 52.44 H new ATOM 0 HA GLU A 57 -13.167 -4.999 4.298 1.00 22.13 H new ATOM 0 HB2 GLU A 57 -13.477 -5.233 7.244 1.00 32.35 H new ATOM 0 HB3 GLU A 57 -13.033 -3.626 6.705 1.00 32.35 H new ATOM 0 HG2 GLU A 57 -14.949 -3.379 5.368 1.00 63.15 H new ATOM 0 HG3 GLU A 57 -15.152 -5.106 5.151 1.00 63.15 H new ATOM 900 N PRO A 58 -11.192 -3.350 4.460 1.00 22.10 N ATOM 901 CA PRO A 58 -9.908 -2.763 4.151 1.00 11.41 C ATOM 902 C PRO A 58 -9.181 -2.331 5.424 1.00 12.24 C ATOM 903 O PRO A 58 -9.817 -1.993 6.426 1.00 35.40 O ATOM 904 CB PRO A 58 -10.188 -1.562 3.256 1.00 13.10 C ATOM 905 CG PRO A 58 -11.678 -1.273 3.394 1.00 74.02 C ATOM 906 CD PRO A 58 -12.268 -2.608 3.831 1.00 63.25 C ATOM 0 HA PRO A 58 -9.261 -3.484 3.652 1.00 11.41 H new ATOM 0 HB2 PRO A 58 -9.594 -0.701 3.562 1.00 13.10 H new ATOM 0 HB3 PRO A 58 -9.927 -1.778 2.220 1.00 13.10 H new ATOM 0 HG2 PRO A 58 -11.867 -0.492 4.130 1.00 74.02 H new ATOM 0 HG3 PRO A 58 -12.109 -0.934 2.452 1.00 74.02 H new ATOM 0 HD2 PRO A 58 -13.093 -2.458 4.527 1.00 63.25 H new ATOM 0 HD3 PRO A 58 -12.667 -3.154 2.976 1.00 63.25 H new ATOM 914 N PRO A 59 -7.845 -2.271 5.386 1.00 35.15 N ATOM 915 CA PRO A 59 -7.058 -1.674 6.440 1.00 33.20 C ATOM 916 C PRO A 59 -7.072 -0.149 6.307 1.00 72.33 C ATOM 917 O PRO A 59 -6.559 0.405 5.328 1.00 24.14 O ATOM 918 CB PRO A 59 -5.659 -2.238 6.245 1.00 61.32 C ATOM 919 CG PRO A 59 -5.577 -2.501 4.739 1.00 44.00 C ATOM 920 CD PRO A 59 -7.002 -2.866 4.365 1.00 4.14 C ATOM 0 HA PRO A 59 -7.443 -1.897 7.435 1.00 33.20 H new ATOM 0 HB2 PRO A 59 -4.894 -1.532 6.570 1.00 61.32 H new ATOM 0 HB3 PRO A 59 -5.513 -3.153 6.819 1.00 61.32 H new ATOM 0 HG2 PRO A 59 -5.232 -1.621 4.196 1.00 44.00 H new ATOM 0 HG3 PRO A 59 -4.882 -3.309 4.510 1.00 44.00 H new ATOM 0 HD2 PRO A 59 -7.257 -2.484 3.376 1.00 4.14 H new ATOM 0 HD3 PRO A 59 -7.133 -3.948 4.332 1.00 4.14 H new ATOM 928 N ASP A 60 -7.595 0.535 7.318 1.00 2.25 N ATOM 929 CA ASP A 60 -7.450 1.976 7.481 1.00 4.12 C ATOM 930 C ASP A 60 -5.986 2.282 7.840 1.00 30.50 C ATOM 931 O ASP A 60 -5.640 2.416 9.013 1.00 41.31 O ATOM 932 CB ASP A 60 -8.436 2.488 8.557 1.00 12.44 C ATOM 933 CG ASP A 60 -9.609 3.285 7.997 1.00 4.32 C ATOM 934 OD1 ASP A 60 -10.044 3.046 6.847 1.00 13.31 O ATOM 935 OD2 ASP A 60 -10.077 4.191 8.726 1.00 15.31 O ATOM 0 H ASP A 60 -8.141 0.096 8.060 1.00 2.25 H new ATOM 0 HA ASP A 60 -7.694 2.496 6.555 1.00 4.12 H new ATOM 0 HB2 ASP A 60 -8.823 1.635 9.115 1.00 12.44 H new ATOM 0 HB3 ASP A 60 -7.892 3.112 9.266 1.00 12.44 H new ATOM 940 N PHE A 61 -5.095 2.385 6.846 1.00 23.55 N ATOM 941 CA PHE A 61 -3.688 2.754 7.071 1.00 11.33 C ATOM 942 C PHE A 61 -3.534 4.174 7.639 1.00 22.40 C ATOM 943 O PHE A 61 -2.482 4.508 8.181 1.00 3.11 O ATOM 944 CB PHE A 61 -2.883 2.671 5.765 1.00 24.40 C ATOM 945 CG PHE A 61 -2.704 1.297 5.154 1.00 32.44 C ATOM 946 CD1 PHE A 61 -1.635 0.480 5.573 1.00 13.22 C ATOM 947 CD2 PHE A 61 -3.528 0.878 4.094 1.00 33.40 C ATOM 948 CE1 PHE A 61 -1.419 -0.766 4.960 1.00 12.11 C ATOM 949 CE2 PHE A 61 -3.269 -0.338 3.440 1.00 33.42 C ATOM 950 CZ PHE A 61 -2.230 -1.171 3.886 1.00 14.12 C ATOM 0 H PHE A 61 -5.326 2.216 5.867 1.00 23.55 H new ATOM 0 HA PHE A 61 -3.306 2.041 7.801 1.00 11.33 H new ATOM 0 HB2 PHE A 61 -3.368 3.309 5.027 1.00 24.40 H new ATOM 0 HB3 PHE A 61 -1.894 3.091 5.949 1.00 24.40 H new ATOM 0 HD1 PHE A 61 -0.981 0.812 6.366 1.00 13.22 H new ATOM 0 HD2 PHE A 61 -4.360 1.492 3.783 1.00 33.40 H new ATOM 0 HE1 PHE A 61 -0.630 -1.412 5.314 1.00 12.11 H new ATOM 0 HE2 PHE A 61 -3.870 -0.633 2.593 1.00 33.42 H new ATOM 0 HZ PHE A 61 -2.054 -2.122 3.404 1.00 14.12 H new ATOM 960 N ILE A 62 -4.554 5.019 7.478 1.00 2.42 N ATOM 961 CA ILE A 62 -4.582 6.371 8.011 1.00 13.21 C ATOM 962 C ILE A 62 -4.768 6.251 9.524 1.00 41.24 C ATOM 963 O ILE A 62 -3.832 6.497 10.284 1.00 22.51 O ATOM 964 CB ILE A 62 -5.680 7.190 7.288 1.00 31.33 C ATOM 965 CG1 ILE A 62 -5.386 7.360 5.783 1.00 11.55 C ATOM 966 CG2 ILE A 62 -5.925 8.570 7.913 1.00 22.33 C ATOM 967 CD1 ILE A 62 -4.178 8.238 5.435 1.00 54.45 C ATOM 0 H ILE A 62 -5.398 4.772 6.962 1.00 2.42 H new ATOM 0 HA ILE A 62 -3.656 6.918 7.833 1.00 13.21 H new ATOM 0 HB ILE A 62 -6.588 6.600 7.412 1.00 31.33 H new ATOM 0 HG12 ILE A 62 -5.231 6.372 5.348 1.00 11.55 H new ATOM 0 HG13 ILE A 62 -6.269 7.784 5.305 1.00 11.55 H new ATOM 0 HG21 ILE A 62 -6.706 9.088 7.356 1.00 22.33 H new ATOM 0 HG22 ILE A 62 -6.238 8.449 8.950 1.00 22.33 H new ATOM 0 HG23 ILE A 62 -5.005 9.154 7.877 1.00 22.33 H new ATOM 0 HD11 ILE A 62 -4.065 8.288 4.352 1.00 54.45 H new ATOM 0 HD12 ILE A 62 -4.332 9.242 5.831 1.00 54.45 H new ATOM 0 HD13 ILE A 62 -3.278 7.809 5.875 1.00 54.45 H new ATOM 979 N ALA A 63 -5.964 5.873 9.978 1.00 25.53 N ATOM 980 CA ALA A 63 -6.285 5.893 11.399 1.00 35.45 C ATOM 981 C ALA A 63 -5.610 4.785 12.216 1.00 25.21 C ATOM 982 O ALA A 63 -5.434 4.970 13.425 1.00 72.34 O ATOM 983 CB ALA A 63 -7.796 5.803 11.565 1.00 73.51 C ATOM 0 H ALA A 63 -6.724 5.550 9.379 1.00 25.53 H new ATOM 0 HA ALA A 63 -5.894 6.831 11.792 1.00 35.45 H new ATOM 0 HB1 ALA A 63 -8.047 5.817 12.626 1.00 73.51 H new ATOM 0 HB2 ALA A 63 -8.268 6.651 11.069 1.00 73.51 H new ATOM 0 HB3 ALA A 63 -8.156 4.876 11.119 1.00 73.51 H new ATOM 989 N SER A 64 -5.220 3.671 11.593 1.00 51.35 N ATOM 990 CA SER A 64 -4.841 2.430 12.256 1.00 11.25 C ATOM 991 C SER A 64 -3.600 1.819 11.602 1.00 5.33 C ATOM 992 O SER A 64 -3.043 2.382 10.656 1.00 74.43 O ATOM 993 CB SER A 64 -6.065 1.509 12.243 1.00 73.43 C ATOM 994 OG SER A 64 -5.929 0.533 13.247 1.00 71.52 O ATOM 0 H SER A 64 -5.159 3.610 10.577 1.00 51.35 H new ATOM 0 HA SER A 64 -4.552 2.603 13.293 1.00 11.25 H new ATOM 0 HB2 SER A 64 -6.972 2.090 12.407 1.00 73.43 H new ATOM 0 HB3 SER A 64 -6.164 1.032 11.268 1.00 73.43 H new ATOM 0 HG SER A 64 -6.713 -0.055 13.240 1.00 71.52 H new ATOM 1000 N ARG A 65 -3.111 0.682 12.119 1.00 13.21 N ATOM 1001 CA ARG A 65 -1.984 -0.019 11.512 1.00 43.12 C ATOM 1002 C ARG A 65 -2.088 -1.548 11.631 1.00 53.22 C ATOM 1003 O ARG A 65 -1.090 -2.207 11.933 1.00 62.25 O ATOM 1004 CB ARG A 65 -0.669 0.566 12.081 1.00 43.43 C ATOM 1005 CG ARG A 65 -0.470 0.569 13.609 1.00 44.43 C ATOM 1006 CD ARG A 65 -0.109 -0.791 14.227 1.00 52.00 C ATOM 1007 NE ARG A 65 0.572 -0.630 15.518 1.00 14.03 N ATOM 1008 CZ ARG A 65 0.632 -1.504 16.529 1.00 43.03 C ATOM 1009 NH1 ARG A 65 -0.058 -2.641 16.530 1.00 54.23 N ATOM 1010 NH2 ARG A 65 1.413 -1.217 17.556 1.00 65.21 N ATOM 0 H ARG A 65 -3.483 0.233 12.956 1.00 13.21 H new ATOM 0 HA ARG A 65 -1.996 0.152 10.435 1.00 43.12 H new ATOM 0 HB2 ARG A 65 0.159 0.012 11.639 1.00 43.43 H new ATOM 0 HB3 ARG A 65 -0.586 1.596 11.733 1.00 43.43 H new ATOM 0 HG2 ARG A 65 0.317 1.282 13.855 1.00 44.43 H new ATOM 0 HG3 ARG A 65 -1.385 0.931 14.077 1.00 44.43 H new ATOM 0 HD2 ARG A 65 -1.015 -1.382 14.363 1.00 52.00 H new ATOM 0 HD3 ARG A 65 0.533 -1.345 13.542 1.00 52.00 H new ATOM 0 HE ARG A 65 1.058 0.255 15.661 1.00 14.03 H new ATOM 0 HH11 ARG A 65 -0.660 -2.873 15.740 1.00 54.23 H new ATOM 0 HH12 ARG A 65 0.015 -3.281 17.321 1.00 54.23 H new ATOM 0 HH21 ARG A 65 1.949 -0.349 17.562 1.00 65.21 H new ATOM 0 HH22 ARG A 65 1.480 -1.863 18.342 1.00 65.21 H new ATOM 1024 N PRO A 66 -3.201 -2.184 11.225 1.00 23.04 N ATOM 1025 CA PRO A 66 -3.284 -3.636 11.284 1.00 71.52 C ATOM 1026 C PRO A 66 -2.486 -4.253 10.139 1.00 24.25 C ATOM 1027 O PRO A 66 -1.597 -5.079 10.352 1.00 11.22 O ATOM 1028 CB PRO A 66 -4.775 -3.956 11.206 1.00 23.22 C ATOM 1029 CG PRO A 66 -5.389 -2.770 10.459 1.00 14.43 C ATOM 1030 CD PRO A 66 -4.495 -1.605 10.879 1.00 25.12 C ATOM 0 HA PRO A 66 -2.855 -4.051 12.196 1.00 71.52 H new ATOM 0 HB2 PRO A 66 -4.952 -4.892 10.676 1.00 23.22 H new ATOM 0 HB3 PRO A 66 -5.209 -4.065 12.200 1.00 23.22 H new ATOM 0 HG2 PRO A 66 -5.376 -2.921 9.380 1.00 14.43 H new ATOM 0 HG3 PRO A 66 -6.428 -2.606 10.745 1.00 14.43 H new ATOM 0 HD2 PRO A 66 -4.393 -0.882 10.070 1.00 25.12 H new ATOM 0 HD3 PRO A 66 -4.923 -1.074 11.729 1.00 25.12 H new ATOM 1038 N ALA A 67 -2.768 -3.814 8.910 1.00 21.13 N ATOM 1039 CA ALA A 67 -2.119 -4.339 7.712 1.00 22.43 C ATOM 1040 C ALA A 67 -0.649 -3.952 7.630 1.00 23.34 C ATOM 1041 O ALA A 67 0.061 -4.515 6.812 1.00 21.40 O ATOM 1042 CB ALA A 67 -2.829 -3.861 6.451 1.00 53.32 C ATOM 0 H ALA A 67 -3.454 -3.083 8.720 1.00 21.13 H new ATOM 0 HA ALA A 67 -2.184 -5.425 7.783 1.00 22.43 H new ATOM 0 HB1 ALA A 67 -2.325 -4.267 5.574 1.00 53.32 H new ATOM 0 HB2 ALA A 67 -3.864 -4.202 6.465 1.00 53.32 H new ATOM 0 HB3 ALA A 67 -2.806 -2.772 6.411 1.00 53.32 H new ATOM 1048 N THR A 68 -0.174 -3.028 8.458 1.00 64.33 N ATOM 1049 CA THR A 68 1.228 -2.655 8.524 1.00 5.02 C ATOM 1050 C THR A 68 2.106 -3.878 8.853 1.00 65.44 C ATOM 1051 O THR A 68 3.201 -3.994 8.304 1.00 75.20 O ATOM 1052 CB THR A 68 1.330 -1.494 9.518 1.00 32.05 C ATOM 1053 OG1 THR A 68 0.570 -0.403 9.013 1.00 25.42 O ATOM 1054 CG2 THR A 68 2.755 -1.013 9.757 1.00 65.14 C ATOM 0 H THR A 68 -0.764 -2.511 9.111 1.00 64.33 H new ATOM 0 HA THR A 68 1.614 -2.311 7.564 1.00 5.02 H new ATOM 0 HB THR A 68 0.953 -1.860 10.473 1.00 32.05 H new ATOM 0 HG1 THR A 68 0.749 0.397 9.550 1.00 25.42 H new ATOM 0 HG21 THR A 68 2.746 -0.190 10.472 1.00 65.14 H new ATOM 0 HG22 THR A 68 3.354 -1.832 10.155 1.00 65.14 H new ATOM 0 HG23 THR A 68 3.186 -0.672 8.816 1.00 65.14 H new ATOM 1062 N VAL A 69 1.606 -4.841 9.639 1.00 51.12 N ATOM 1063 CA VAL A 69 2.278 -6.124 9.862 1.00 12.41 C ATOM 1064 C VAL A 69 2.296 -6.921 8.558 1.00 71.14 C ATOM 1065 O VAL A 69 3.317 -7.479 8.155 1.00 62.22 O ATOM 1066 CB VAL A 69 1.538 -6.929 10.955 1.00 15.13 C ATOM 1067 CG1 VAL A 69 2.292 -8.222 11.297 1.00 62.12 C ATOM 1068 CG2 VAL A 69 1.331 -6.098 12.227 1.00 43.33 C ATOM 0 H VAL A 69 0.721 -4.750 10.139 1.00 51.12 H new ATOM 0 HA VAL A 69 3.300 -5.940 10.192 1.00 12.41 H new ATOM 0 HB VAL A 69 0.559 -7.187 10.550 1.00 15.13 H new ATOM 0 HG11 VAL A 69 1.748 -8.767 12.068 1.00 62.12 H new ATOM 0 HG12 VAL A 69 2.375 -8.842 10.404 1.00 62.12 H new ATOM 0 HG13 VAL A 69 3.289 -7.976 11.661 1.00 62.12 H new ATOM 0 HG21 VAL A 69 0.808 -6.697 12.972 1.00 43.33 H new ATOM 0 HG22 VAL A 69 2.299 -5.791 12.623 1.00 43.33 H new ATOM 0 HG23 VAL A 69 0.739 -5.214 11.992 1.00 43.33 H new ATOM 1078 N LYS A 70 1.134 -7.018 7.911 1.00 13.45 N ATOM 1079 CA LYS A 70 0.932 -7.885 6.762 1.00 65.13 C ATOM 1080 C LYS A 70 1.754 -7.406 5.564 1.00 21.55 C ATOM 1081 O LYS A 70 2.327 -8.217 4.849 1.00 50.03 O ATOM 1082 CB LYS A 70 -0.573 -7.963 6.462 1.00 14.32 C ATOM 1083 CG LYS A 70 -1.025 -9.377 6.075 1.00 32.10 C ATOM 1084 CD LYS A 70 -2.319 -9.789 6.801 1.00 30.41 C ATOM 1085 CE LYS A 70 -2.423 -11.313 6.901 1.00 60.52 C ATOM 1086 NZ LYS A 70 -1.509 -11.890 7.917 1.00 62.43 N ATOM 0 H LYS A 70 0.303 -6.490 8.176 1.00 13.45 H new ATOM 0 HA LYS A 70 1.287 -8.892 6.982 1.00 65.13 H new ATOM 0 HB2 LYS A 70 -1.132 -7.634 7.338 1.00 14.32 H new ATOM 0 HB3 LYS A 70 -0.815 -7.274 5.653 1.00 14.32 H new ATOM 0 HG2 LYS A 70 -1.183 -9.425 4.998 1.00 32.10 H new ATOM 0 HG3 LYS A 70 -0.234 -10.088 6.313 1.00 32.10 H new ATOM 0 HD2 LYS A 70 -2.336 -9.352 7.800 1.00 30.41 H new ATOM 0 HD3 LYS A 70 -3.183 -9.395 6.266 1.00 30.41 H new ATOM 0 HE2 LYS A 70 -3.449 -11.586 7.146 1.00 60.52 H new ATOM 0 HE3 LYS A 70 -2.200 -11.752 5.928 1.00 60.52 H new ATOM 0 HZ1 LYS A 70 -1.740 -12.894 8.061 1.00 62.43 H new ATOM 0 HZ2 LYS A 70 -0.526 -11.805 7.588 1.00 62.43 H new ATOM 0 HZ3 LYS A 70 -1.620 -11.377 8.815 1.00 62.43 H new ATOM 1100 N LEU A 71 1.889 -6.091 5.408 1.00 74.23 N ATOM 1101 CA LEU A 71 2.804 -5.437 4.485 1.00 54.51 C ATOM 1102 C LEU A 71 4.230 -5.930 4.702 1.00 32.21 C ATOM 1103 O LEU A 71 4.905 -6.256 3.732 1.00 41.40 O ATOM 1104 CB LEU A 71 2.718 -3.909 4.681 1.00 31.51 C ATOM 1105 CG LEU A 71 1.923 -3.202 3.578 1.00 55.12 C ATOM 1106 CD1 LEU A 71 0.482 -3.675 3.448 1.00 42.13 C ATOM 1107 CD2 LEU A 71 1.945 -1.689 3.781 1.00 2.21 C ATOM 0 H LEU A 71 1.337 -5.425 5.948 1.00 74.23 H new ATOM 0 HA LEU A 71 2.520 -5.683 3.462 1.00 54.51 H new ATOM 0 HB2 LEU A 71 2.255 -3.698 5.645 1.00 31.51 H new ATOM 0 HB3 LEU A 71 3.726 -3.496 4.715 1.00 31.51 H new ATOM 0 HG LEU A 71 2.424 -3.468 2.647 1.00 55.12 H new ATOM 0 HD11 LEU A 71 -0.010 -3.125 2.646 1.00 42.13 H new ATOM 0 HD12 LEU A 71 0.468 -4.741 3.219 1.00 42.13 H new ATOM 0 HD13 LEU A 71 -0.045 -3.498 4.386 1.00 42.13 H new ATOM 0 HD21 LEU A 71 1.375 -1.207 2.987 1.00 2.21 H new ATOM 0 HD22 LEU A 71 1.501 -1.445 4.746 1.00 2.21 H new ATOM 0 HD23 LEU A 71 2.975 -1.333 3.755 1.00 2.21 H new ATOM 1119 N THR A 72 4.700 -5.999 5.949 1.00 71.20 N ATOM 1120 CA THR A 72 6.051 -6.442 6.258 1.00 72.01 C ATOM 1121 C THR A 72 6.282 -7.892 5.823 1.00 51.41 C ATOM 1122 O THR A 72 7.382 -8.230 5.391 1.00 15.14 O ATOM 1123 CB THR A 72 6.310 -6.235 7.751 1.00 52.31 C ATOM 1124 OG1 THR A 72 6.166 -4.868 8.055 1.00 73.12 O ATOM 1125 CG2 THR A 72 7.703 -6.680 8.162 1.00 41.14 C ATOM 0 H THR A 72 4.150 -5.748 6.770 1.00 71.20 H new ATOM 0 HA THR A 72 6.767 -5.845 5.693 1.00 72.01 H new ATOM 0 HB THR A 72 5.589 -6.842 8.298 1.00 52.31 H new ATOM 0 HG1 THR A 72 5.214 -4.646 8.120 1.00 73.12 H new ATOM 0 HG21 THR A 72 7.838 -6.513 9.231 1.00 41.14 H new ATOM 0 HG22 THR A 72 7.826 -7.741 7.942 1.00 41.14 H new ATOM 0 HG23 THR A 72 8.446 -6.106 7.608 1.00 41.14 H new ATOM 1133 N ARG A 73 5.251 -8.739 5.864 1.00 12.33 N ATOM 1134 CA ARG A 73 5.340 -10.100 5.332 1.00 1.00 C ATOM 1135 C ARG A 73 5.776 -10.101 3.865 1.00 23.24 C ATOM 1136 O ARG A 73 6.513 -10.998 3.465 1.00 64.22 O ATOM 1137 CB ARG A 73 4.025 -10.884 5.454 1.00 72.40 C ATOM 1138 CG ARG A 73 3.359 -10.855 6.836 1.00 51.23 C ATOM 1139 CD ARG A 73 4.197 -11.441 7.982 1.00 12.20 C ATOM 1140 NE ARG A 73 3.555 -12.581 8.671 1.00 22.24 N ATOM 1141 CZ ARG A 73 3.191 -13.756 8.135 1.00 40.11 C ATOM 1142 NH1 ARG A 73 3.462 -14.049 6.868 1.00 41.12 N ATOM 1143 NH2 ARG A 73 2.535 -14.649 8.864 1.00 54.02 N ATOM 0 H ARG A 73 4.342 -8.505 6.262 1.00 12.33 H new ATOM 0 HA ARG A 73 6.091 -10.598 5.945 1.00 1.00 H new ATOM 0 HB2 ARG A 73 3.319 -10.490 4.723 1.00 72.40 H new ATOM 0 HB3 ARG A 73 4.216 -11.923 5.185 1.00 72.40 H new ATOM 0 HG2 ARG A 73 3.112 -9.822 7.080 1.00 51.23 H new ATOM 0 HG3 ARG A 73 2.418 -11.403 6.779 1.00 51.23 H new ATOM 0 HD2 ARG A 73 5.160 -11.764 7.587 1.00 12.20 H new ATOM 0 HD3 ARG A 73 4.398 -10.655 8.710 1.00 12.20 H new ATOM 0 HE ARG A 73 3.368 -12.461 9.666 1.00 22.24 H new ATOM 0 HH11 ARG A 73 3.956 -13.375 6.283 1.00 41.12 H new ATOM 0 HH12 ARG A 73 3.176 -14.948 6.480 1.00 41.12 H new ATOM 0 HH21 ARG A 73 2.305 -14.444 9.836 1.00 54.02 H new ATOM 0 HH22 ARG A 73 2.260 -15.541 8.452 1.00 54.02 H new ATOM 1157 N SER A 74 5.364 -9.108 3.080 1.00 3.21 N ATOM 1158 CA SER A 74 5.738 -8.917 1.683 1.00 61.21 C ATOM 1159 C SER A 74 7.052 -8.127 1.532 1.00 44.33 C ATOM 1160 O SER A 74 7.527 -7.950 0.413 1.00 15.33 O ATOM 1161 CB SER A 74 4.527 -8.261 0.992 1.00 30.33 C ATOM 1162 OG SER A 74 4.779 -7.689 -0.274 1.00 52.53 O ATOM 0 H SER A 74 4.732 -8.382 3.417 1.00 3.21 H new ATOM 0 HA SER A 74 5.961 -9.868 1.199 1.00 61.21 H new ATOM 0 HB2 SER A 74 3.745 -9.012 0.882 1.00 30.33 H new ATOM 0 HB3 SER A 74 4.134 -7.485 1.649 1.00 30.33 H new ATOM 0 HG SER A 74 4.398 -6.787 -0.307 1.00 52.53 H new ATOM 1168 N ILE A 75 7.692 -7.667 2.612 1.00 41.10 N ATOM 1169 CA ILE A 75 8.885 -6.823 2.563 1.00 65.23 C ATOM 1170 C ILE A 75 10.058 -7.637 3.154 1.00 12.33 C ATOM 1171 O ILE A 75 10.403 -7.467 4.330 1.00 71.23 O ATOM 1172 CB ILE A 75 8.588 -5.457 3.227 1.00 52.30 C ATOM 1173 CG1 ILE A 75 7.504 -4.671 2.448 1.00 60.42 C ATOM 1174 CG2 ILE A 75 9.847 -4.584 3.327 1.00 24.34 C ATOM 1175 CD1 ILE A 75 6.864 -3.565 3.294 1.00 13.24 C ATOM 0 H ILE A 75 7.387 -7.877 3.563 1.00 41.10 H new ATOM 0 HA ILE A 75 9.183 -6.557 1.549 1.00 65.23 H new ATOM 0 HB ILE A 75 8.227 -5.681 4.231 1.00 52.30 H new ATOM 0 HG12 ILE A 75 7.949 -4.231 1.556 1.00 60.42 H new ATOM 0 HG13 ILE A 75 6.730 -5.361 2.111 1.00 60.42 H new ATOM 0 HG21 ILE A 75 9.595 -3.634 3.799 1.00 24.34 H new ATOM 0 HG22 ILE A 75 10.599 -5.098 3.925 1.00 24.34 H new ATOM 0 HG23 ILE A 75 10.242 -4.399 2.328 1.00 24.34 H new ATOM 0 HD11 ILE A 75 6.111 -3.044 2.702 1.00 13.24 H new ATOM 0 HD12 ILE A 75 6.394 -4.005 4.173 1.00 13.24 H new ATOM 0 HD13 ILE A 75 7.631 -2.858 3.609 1.00 13.24 H new ATOM 1187 N PRO A 76 10.678 -8.527 2.355 1.00 4.53 N ATOM 1188 CA PRO A 76 11.854 -9.298 2.729 1.00 64.52 C ATOM 1189 C PRO A 76 13.098 -8.401 2.798 1.00 51.22 C ATOM 1190 O PRO A 76 13.056 -7.206 2.488 1.00 0.24 O ATOM 1191 CB PRO A 76 11.968 -10.368 1.633 1.00 63.50 C ATOM 1192 CG PRO A 76 11.507 -9.621 0.404 1.00 74.11 C ATOM 1193 CD PRO A 76 10.313 -8.872 0.993 1.00 64.21 C ATOM 0 HA PRO A 76 11.772 -9.745 3.720 1.00 64.52 H new ATOM 0 HB2 PRO A 76 12.989 -10.734 1.527 1.00 63.50 H new ATOM 0 HB3 PRO A 76 11.339 -11.233 1.843 1.00 63.50 H new ATOM 0 HG2 PRO A 76 12.270 -8.949 0.012 1.00 74.11 H new ATOM 0 HG3 PRO A 76 11.222 -10.289 -0.409 1.00 74.11 H new ATOM 0 HD2 PRO A 76 10.091 -7.977 0.412 1.00 64.21 H new ATOM 0 HD3 PRO A 76 9.418 -9.494 0.976 1.00 64.21 H new ATOM 1201 N ALA A 77 14.233 -8.981 3.189 1.00 0.31 N ATOM 1202 CA ALA A 77 15.484 -8.261 3.403 1.00 10.13 C ATOM 1203 C ALA A 77 15.987 -7.490 2.162 1.00 33.35 C ATOM 1204 O ALA A 77 16.451 -6.360 2.336 1.00 34.42 O ATOM 1205 CB ALA A 77 16.536 -9.232 3.945 1.00 32.45 C ATOM 0 H ALA A 77 14.308 -9.982 3.368 1.00 0.31 H new ATOM 0 HA ALA A 77 15.291 -7.482 4.141 1.00 10.13 H new ATOM 0 HB1 ALA A 77 17.473 -8.700 4.107 1.00 32.45 H new ATOM 0 HB2 ALA A 77 16.190 -9.653 4.889 1.00 32.45 H new ATOM 0 HB3 ALA A 77 16.695 -10.035 3.226 1.00 32.45 H new ATOM 1211 N PRO A 78 15.899 -8.009 0.920 1.00 1.35 N ATOM 1212 CA PRO A 78 16.284 -7.250 -0.272 1.00 11.05 C ATOM 1213 C PRO A 78 15.341 -6.087 -0.615 1.00 3.54 C ATOM 1214 O PRO A 78 15.689 -5.288 -1.475 1.00 20.21 O ATOM 1215 CB PRO A 78 16.363 -8.267 -1.421 1.00 14.32 C ATOM 1216 CG PRO A 78 15.451 -9.395 -0.951 1.00 73.22 C ATOM 1217 CD PRO A 78 15.684 -9.400 0.549 1.00 63.54 C ATOM 0 HA PRO A 78 17.240 -6.760 -0.090 1.00 11.05 H new ATOM 0 HB2 PRO A 78 16.020 -7.838 -2.363 1.00 14.32 H new ATOM 0 HB3 PRO A 78 17.384 -8.615 -1.582 1.00 14.32 H new ATOM 0 HG2 PRO A 78 14.407 -9.203 -1.199 1.00 73.22 H new ATOM 0 HG3 PRO A 78 15.717 -10.349 -1.407 1.00 73.22 H new ATOM 0 HD2 PRO A 78 14.827 -9.818 1.077 1.00 63.54 H new ATOM 0 HD3 PRO A 78 16.548 -10.012 0.809 1.00 63.54 H new ATOM 1225 N TYR A 79 14.182 -5.931 0.038 1.00 25.45 N ATOM 1226 CA TYR A 79 13.131 -5.008 -0.402 1.00 33.22 C ATOM 1227 C TYR A 79 12.846 -3.917 0.649 1.00 5.13 C ATOM 1228 O TYR A 79 11.780 -3.291 0.657 1.00 1.21 O ATOM 1229 CB TYR A 79 11.893 -5.826 -0.825 1.00 35.34 C ATOM 1230 CG TYR A 79 12.076 -6.726 -2.050 1.00 64.30 C ATOM 1231 CD1 TYR A 79 13.036 -6.409 -3.029 1.00 50.41 C ATOM 1232 CD2 TYR A 79 11.269 -7.868 -2.256 1.00 2.43 C ATOM 1233 CE1 TYR A 79 13.211 -7.210 -4.158 1.00 33.14 C ATOM 1234 CE2 TYR A 79 11.454 -8.694 -3.381 1.00 55.05 C ATOM 1235 CZ TYR A 79 12.446 -8.384 -4.338 1.00 73.23 C ATOM 1236 OH TYR A 79 12.616 -9.164 -5.447 1.00 75.22 O ATOM 0 H TYR A 79 13.948 -6.443 0.888 1.00 25.45 H new ATOM 0 HA TYR A 79 13.465 -4.450 -1.276 1.00 33.22 H new ATOM 0 HB2 TYR A 79 11.587 -6.447 0.016 1.00 35.34 H new ATOM 0 HB3 TYR A 79 11.075 -5.134 -1.025 1.00 35.34 H new ATOM 0 HD1 TYR A 79 13.649 -5.529 -2.904 1.00 50.41 H new ATOM 0 HD2 TYR A 79 10.498 -8.111 -1.539 1.00 2.43 H new ATOM 0 HE1 TYR A 79 13.940 -6.929 -4.903 1.00 33.14 H new ATOM 0 HE2 TYR A 79 10.835 -9.569 -3.513 1.00 55.05 H new ATOM 0 HH TYR A 79 12.008 -9.931 -5.404 1.00 75.22 H new ATOM 1246 N LYS A 80 13.778 -3.670 1.578 1.00 22.31 N ATOM 1247 CA LYS A 80 13.525 -2.793 2.726 1.00 14.13 C ATOM 1248 C LYS A 80 13.489 -1.312 2.386 1.00 33.51 C ATOM 1249 O LYS A 80 12.721 -0.603 3.037 1.00 75.34 O ATOM 1250 CB LYS A 80 14.540 -3.015 3.864 1.00 20.30 C ATOM 1251 CG LYS A 80 14.464 -4.396 4.525 1.00 24.45 C ATOM 1252 CD LYS A 80 13.026 -4.796 4.852 1.00 13.12 C ATOM 1253 CE LYS A 80 12.925 -5.871 5.928 1.00 50.11 C ATOM 1254 NZ LYS A 80 12.728 -5.272 7.264 1.00 5.44 N ATOM 0 H LYS A 80 14.717 -4.067 1.556 1.00 22.31 H new ATOM 0 HA LYS A 80 12.527 -3.080 3.057 1.00 14.13 H new ATOM 0 HB2 LYS A 80 15.546 -2.870 3.470 1.00 20.30 H new ATOM 0 HB3 LYS A 80 14.384 -2.252 4.627 1.00 20.30 H new ATOM 0 HG2 LYS A 80 14.905 -5.140 3.862 1.00 24.45 H new ATOM 0 HG3 LYS A 80 15.056 -4.393 5.440 1.00 24.45 H new ATOM 0 HD2 LYS A 80 12.477 -3.913 5.179 1.00 13.12 H new ATOM 0 HD3 LYS A 80 12.541 -5.155 3.944 1.00 13.12 H new ATOM 0 HE2 LYS A 80 12.095 -6.540 5.701 1.00 50.11 H new ATOM 0 HE3 LYS A 80 13.832 -6.476 5.928 1.00 50.11 H new ATOM 0 HZ1 LYS A 80 12.663 -6.027 7.977 1.00 5.44 H new ATOM 0 HZ2 LYS A 80 13.532 -4.652 7.489 1.00 5.44 H new ATOM 0 HZ3 LYS A 80 11.850 -4.715 7.269 1.00 5.44 H new ATOM 1268 N GLN A 81 14.307 -0.837 1.448 1.00 42.20 N ATOM 1269 CA GLN A 81 14.510 0.593 1.203 1.00 4.35 C ATOM 1270 C GLN A 81 13.991 1.023 -0.173 1.00 40.33 C ATOM 1271 O GLN A 81 14.453 2.012 -0.737 1.00 41.00 O ATOM 1272 CB GLN A 81 15.998 0.943 1.371 1.00 12.42 C ATOM 1273 CG GLN A 81 16.542 0.704 2.786 1.00 71.24 C ATOM 1274 CD GLN A 81 17.894 1.400 3.014 1.00 73.34 C ATOM 1275 OE1 GLN A 81 18.322 2.259 2.247 1.00 12.23 O ATOM 1276 NE2 GLN A 81 18.618 1.074 4.071 1.00 53.33 N ATOM 0 H GLN A 81 14.853 -1.438 0.830 1.00 42.20 H new ATOM 0 HA GLN A 81 13.929 1.148 1.940 1.00 4.35 H new ATOM 0 HB2 GLN A 81 16.581 0.352 0.665 1.00 12.42 H new ATOM 0 HB3 GLN A 81 16.146 1.991 1.109 1.00 12.42 H new ATOM 0 HG2 GLN A 81 15.820 1.068 3.517 1.00 71.24 H new ATOM 0 HG3 GLN A 81 16.654 -0.367 2.954 1.00 71.24 H new ATOM 0 HE21 GLN A 81 18.281 0.363 4.720 1.00 53.33 H new ATOM 0 HE22 GLN A 81 19.514 1.533 4.237 1.00 53.33 H new ATOM 1285 N LEU A 82 13.049 0.291 -0.768 1.00 3.35 N ATOM 1286 CA LEU A 82 12.661 0.520 -2.163 1.00 43.11 C ATOM 1287 C LEU A 82 12.059 1.918 -2.385 1.00 20.45 C ATOM 1288 O LEU A 82 12.172 2.463 -3.477 1.00 21.44 O ATOM 1289 CB LEU A 82 11.741 -0.593 -2.677 1.00 60.02 C ATOM 1290 CG LEU A 82 12.310 -2.021 -2.583 1.00 64.42 C ATOM 1291 CD1 LEU A 82 11.290 -3.031 -3.114 1.00 25.42 C ATOM 1292 CD2 LEU A 82 13.627 -2.216 -3.340 1.00 71.50 C ATOM 0 H LEU A 82 12.541 -0.464 -0.308 1.00 3.35 H new ATOM 0 HA LEU A 82 13.575 0.487 -2.756 1.00 43.11 H new ATOM 0 HB2 LEU A 82 10.807 -0.556 -2.117 1.00 60.02 H new ATOM 0 HB3 LEU A 82 11.497 -0.386 -3.719 1.00 60.02 H new ATOM 0 HG LEU A 82 12.516 -2.185 -1.525 1.00 64.42 H new ATOM 0 HD11 LEU A 82 11.703 -4.037 -3.043 1.00 25.42 H new ATOM 0 HD12 LEU A 82 10.377 -2.971 -2.522 1.00 25.42 H new ATOM 0 HD13 LEU A 82 11.063 -2.805 -4.156 1.00 25.42 H new ATOM 0 HD21 LEU A 82 13.963 -3.247 -3.226 1.00 71.50 H new ATOM 0 HD22 LEU A 82 13.475 -1.999 -4.397 1.00 71.50 H new ATOM 0 HD23 LEU A 82 14.382 -1.541 -2.936 1.00 71.50 H new ATOM 1304 N LEU A 83 11.525 2.562 -1.341 1.00 63.23 N ATOM 1305 CA LEU A 83 11.132 3.976 -1.370 1.00 30.53 C ATOM 1306 C LEU A 83 12.268 4.938 -1.732 1.00 1.41 C ATOM 1307 O LEU A 83 11.989 6.071 -2.117 1.00 14.04 O ATOM 1308 CB LEU A 83 10.584 4.377 0.017 1.00 11.31 C ATOM 1309 CG LEU A 83 9.057 4.495 0.074 1.00 23.34 C ATOM 1310 CD1 LEU A 83 8.639 4.921 1.485 1.00 22.42 C ATOM 1311 CD2 LEU A 83 8.544 5.503 -0.956 1.00 0.01 C ATOM 0 H LEU A 83 11.352 2.111 -0.442 1.00 63.23 H new ATOM 0 HA LEU A 83 10.380 4.063 -2.154 1.00 30.53 H new ATOM 0 HB2 LEU A 83 10.909 3.640 0.751 1.00 11.31 H new ATOM 0 HB3 LEU A 83 11.023 5.331 0.308 1.00 11.31 H new ATOM 0 HG LEU A 83 8.619 3.525 -0.163 1.00 23.34 H new ATOM 0 HD11 LEU A 83 7.553 5.007 1.533 1.00 22.42 H new ATOM 0 HD12 LEU A 83 8.976 4.175 2.205 1.00 22.42 H new ATOM 0 HD13 LEU A 83 9.090 5.884 1.723 1.00 22.42 H new ATOM 0 HD21 LEU A 83 7.458 5.566 -0.893 1.00 0.01 H new ATOM 0 HD22 LEU A 83 8.977 6.483 -0.753 1.00 0.01 H new ATOM 0 HD23 LEU A 83 8.831 5.179 -1.956 1.00 0.01 H new ATOM 1323 N LYS A 84 13.536 4.547 -1.636 1.00 64.25 N ATOM 1324 CA LYS A 84 14.657 5.307 -2.148 1.00 12.20 C ATOM 1325 C LYS A 84 15.337 4.588 -3.300 1.00 35.43 C ATOM 1326 O LYS A 84 15.817 5.251 -4.209 1.00 43.32 O ATOM 1327 CB LYS A 84 15.606 5.753 -1.042 1.00 34.31 C ATOM 1328 CG LYS A 84 15.608 4.905 0.218 1.00 15.21 C ATOM 1329 CD LYS A 84 16.648 5.403 1.229 1.00 14.55 C ATOM 1330 CE LYS A 84 16.219 5.027 2.648 1.00 24.21 C ATOM 1331 NZ LYS A 84 15.235 6.001 3.164 1.00 73.50 N ATOM 0 H LYS A 84 13.812 3.673 -1.189 1.00 64.25 H new ATOM 0 HA LYS A 84 14.268 6.234 -2.569 1.00 12.20 H new ATOM 0 HB2 LYS A 84 16.619 5.771 -1.445 1.00 34.31 H new ATOM 0 HB3 LYS A 84 15.354 6.777 -0.766 1.00 34.31 H new ATOM 0 HG2 LYS A 84 14.618 4.925 0.673 1.00 15.21 H new ATOM 0 HG3 LYS A 84 15.818 3.867 -0.041 1.00 15.21 H new ATOM 0 HD2 LYS A 84 17.622 4.966 1.007 1.00 14.55 H new ATOM 0 HD3 LYS A 84 16.758 6.484 1.148 1.00 14.55 H new ATOM 0 HE2 LYS A 84 15.786 4.027 2.651 1.00 24.21 H new ATOM 0 HE3 LYS A 84 17.090 4.999 3.303 1.00 24.21 H new ATOM 0 HZ1 LYS A 84 14.953 5.732 4.128 1.00 73.50 H new ATOM 0 HZ2 LYS A 84 15.661 6.950 3.179 1.00 73.50 H new ATOM 0 HZ3 LYS A 84 14.397 6.008 2.548 1.00 73.50 H new ATOM 1345 N GLU A 85 15.345 3.260 -3.299 1.00 32.10 N ATOM 1346 CA GLU A 85 16.050 2.483 -4.311 1.00 44.13 C ATOM 1347 C GLU A 85 15.266 2.333 -5.623 1.00 2.52 C ATOM 1348 O GLU A 85 15.837 1.849 -6.597 1.00 32.34 O ATOM 1349 CB GLU A 85 16.450 1.123 -3.729 1.00 14.42 C ATOM 1350 CG GLU A 85 17.362 1.283 -2.499 1.00 34.23 C ATOM 1351 CD GLU A 85 18.153 0.008 -2.240 1.00 75.54 C ATOM 1352 OE1 GLU A 85 18.981 -0.361 -3.104 1.00 14.35 O ATOM 1353 OE2 GLU A 85 17.956 -0.631 -1.182 1.00 20.42 O ATOM 0 H GLU A 85 14.865 2.694 -2.600 1.00 32.10 H new ATOM 0 HA GLU A 85 16.949 3.037 -4.580 1.00 44.13 H new ATOM 0 HB2 GLU A 85 15.555 0.568 -3.450 1.00 14.42 H new ATOM 0 HB3 GLU A 85 16.964 0.537 -4.491 1.00 14.42 H new ATOM 0 HG2 GLU A 85 18.048 2.116 -2.655 1.00 34.23 H new ATOM 0 HG3 GLU A 85 16.760 1.526 -1.624 1.00 34.23 H new ATOM 1360 N GLU A 86 13.995 2.744 -5.691 1.00 14.12 N ATOM 1361 CA GLU A 86 13.208 2.764 -6.927 1.00 52.10 C ATOM 1362 C GLU A 86 12.657 4.175 -7.187 1.00 11.52 C ATOM 1363 O GLU A 86 12.223 4.481 -8.295 1.00 72.23 O ATOM 1364 CB GLU A 86 12.047 1.766 -6.796 1.00 54.11 C ATOM 1365 CG GLU A 86 12.444 0.278 -6.672 1.00 2.14 C ATOM 1366 CD GLU A 86 12.689 -0.455 -7.998 1.00 34.12 C ATOM 1367 OE1 GLU A 86 12.928 0.200 -9.037 1.00 62.30 O ATOM 1368 OE2 GLU A 86 12.599 -1.708 -7.995 1.00 65.40 O ATOM 0 H GLU A 86 13.478 3.077 -4.877 1.00 14.12 H new ATOM 0 HA GLU A 86 13.845 2.483 -7.765 1.00 52.10 H new ATOM 0 HB2 GLU A 86 11.457 2.038 -5.921 1.00 54.11 H new ATOM 0 HB3 GLU A 86 11.398 1.877 -7.665 1.00 54.11 H new ATOM 0 HG2 GLU A 86 13.349 0.211 -6.068 1.00 2.14 H new ATOM 0 HG3 GLU A 86 11.658 -0.245 -6.128 1.00 2.14 H new ATOM 1375 N LEU A 87 12.667 5.036 -6.164 1.00 51.22 N ATOM 1376 CA LEU A 87 12.033 6.350 -6.147 1.00 20.13 C ATOM 1377 C LEU A 87 13.062 7.430 -5.831 1.00 52.30 C ATOM 1378 O LEU A 87 13.424 8.200 -6.720 1.00 74.34 O ATOM 1379 CB LEU A 87 10.879 6.376 -5.123 1.00 0.11 C ATOM 1380 CG LEU A 87 9.541 5.892 -5.676 1.00 52.31 C ATOM 1381 CD1 LEU A 87 9.437 4.385 -5.714 1.00 63.40 C ATOM 1382 CD2 LEU A 87 8.362 6.476 -4.891 1.00 20.25 C ATOM 0 H LEU A 87 13.141 4.822 -5.286 1.00 51.22 H new ATOM 0 HA LEU A 87 11.618 6.552 -7.134 1.00 20.13 H new ATOM 0 HB2 LEU A 87 11.152 5.756 -4.269 1.00 0.11 H new ATOM 0 HB3 LEU A 87 10.760 7.394 -4.753 1.00 0.11 H new ATOM 0 HG LEU A 87 9.495 6.254 -6.703 1.00 52.31 H new ATOM 0 HD11 LEU A 87 8.465 4.097 -6.116 1.00 63.40 H new ATOM 0 HD12 LEU A 87 10.226 3.982 -6.349 1.00 63.40 H new ATOM 0 HD13 LEU A 87 9.544 3.987 -4.705 1.00 63.40 H new ATOM 0 HD21 LEU A 87 7.426 6.109 -5.313 1.00 20.25 H new ATOM 0 HD22 LEU A 87 8.433 6.171 -3.847 1.00 20.25 H new ATOM 0 HD23 LEU A 87 8.386 7.564 -4.953 1.00 20.25 H new ATOM 1394 N GLY A 88 13.467 7.526 -4.560 1.00 34.20 N ATOM 1395 CA GLY A 88 14.388 8.536 -4.048 1.00 60.14 C ATOM 1396 C GLY A 88 13.751 9.363 -2.938 1.00 40.14 C ATOM 1397 O GLY A 88 13.753 10.592 -3.015 1.00 24.22 O ATOM 0 H GLY A 88 13.150 6.879 -3.838 1.00 34.20 H new ATOM 0 HA2 GLY A 88 15.288 8.051 -3.671 1.00 60.14 H new ATOM 0 HA3 GLY A 88 14.697 9.193 -4.861 1.00 60.14 H new ATOM 1401 N PHE A 89 13.164 8.712 -1.931 1.00 54.32 N ATOM 1402 CA PHE A 89 12.507 9.354 -0.804 1.00 31.43 C ATOM 1403 C PHE A 89 12.973 8.703 0.503 1.00 10.23 C ATOM 1404 O PHE A 89 13.287 7.509 0.540 1.00 41.41 O ATOM 1405 CB PHE A 89 10.995 9.184 -0.968 1.00 51.30 C ATOM 1406 CG PHE A 89 10.148 9.752 0.155 1.00 31.43 C ATOM 1407 CD1 PHE A 89 10.232 11.116 0.487 1.00 32.41 C ATOM 1408 CD2 PHE A 89 9.244 8.922 0.846 1.00 1.04 C ATOM 1409 CE1 PHE A 89 9.362 11.655 1.449 1.00 5.51 C ATOM 1410 CE2 PHE A 89 8.385 9.458 1.820 1.00 40.24 C ATOM 1411 CZ PHE A 89 8.427 10.833 2.099 1.00 41.40 C ATOM 0 H PHE A 89 13.135 7.694 -1.881 1.00 54.32 H new ATOM 0 HA PHE A 89 12.759 10.414 -0.772 1.00 31.43 H new ATOM 0 HB2 PHE A 89 10.693 9.657 -1.902 1.00 51.30 H new ATOM 0 HB3 PHE A 89 10.775 8.121 -1.064 1.00 51.30 H new ATOM 0 HD1 PHE A 89 10.963 11.747 0.004 1.00 32.41 H new ATOM 0 HD2 PHE A 89 9.211 7.865 0.625 1.00 1.04 H new ATOM 0 HE1 PHE A 89 9.412 12.707 1.690 1.00 5.51 H new ATOM 0 HE2 PHE A 89 7.697 8.816 2.350 1.00 40.24 H new ATOM 0 HZ PHE A 89 7.739 11.259 2.814 1.00 41.40 H new ATOM 1567 N ARG A 100 -0.796 11.901 9.172 1.00 21.44 N ATOM 1568 CA ARG A 100 -1.585 11.457 8.019 1.00 22.25 C ATOM 1569 C ARG A 100 -0.718 11.290 6.765 1.00 4.24 C ATOM 1570 O ARG A 100 -1.163 10.637 5.823 1.00 42.10 O ATOM 1571 CB ARG A 100 -2.817 12.363 7.834 1.00 62.41 C ATOM 1572 CG ARG A 100 -3.818 12.184 8.992 1.00 11.05 C ATOM 1573 CD ARG A 100 -5.029 13.125 8.937 1.00 63.35 C ATOM 1574 NE ARG A 100 -5.924 12.838 7.803 1.00 22.14 N ATOM 1575 CZ ARG A 100 -7.197 12.422 7.846 1.00 52.32 C ATOM 1576 NH1 ARG A 100 -7.855 12.276 8.989 1.00 30.31 N ATOM 1577 NH2 ARG A 100 -7.842 12.157 6.718 1.00 62.11 N ATOM 0 HA ARG A 100 -1.973 10.457 8.212 1.00 22.25 H new ATOM 0 HB2 ARG A 100 -2.501 13.405 7.780 1.00 62.41 H new ATOM 0 HB3 ARG A 100 -3.305 12.129 6.888 1.00 62.41 H new ATOM 0 HG2 ARG A 100 -4.174 11.154 8.992 1.00 11.05 H new ATOM 0 HG3 ARG A 100 -3.295 12.340 9.935 1.00 11.05 H new ATOM 0 HD2 ARG A 100 -5.591 13.042 9.867 1.00 63.35 H new ATOM 0 HD3 ARG A 100 -4.680 14.155 8.867 1.00 63.35 H new ATOM 0 HE ARG A 100 -5.527 12.972 6.873 1.00 22.14 H new ATOM 0 HH11 ARG A 100 -7.392 12.483 9.874 1.00 30.31 H new ATOM 0 HH12 ARG A 100 -8.824 11.957 8.983 1.00 30.31 H new ATOM 0 HH21 ARG A 100 -7.369 12.270 5.821 1.00 62.11 H new ATOM 0 HH22 ARG A 100 -8.811 11.840 6.747 1.00 62.11 H new ATOM 1591 N LYS A 101 0.529 11.781 6.763 1.00 60.35 N ATOM 1592 CA LYS A 101 1.527 11.579 5.710 1.00 11.54 C ATOM 1593 C LYS A 101 2.475 10.458 6.097 1.00 60.02 C ATOM 1594 O LYS A 101 2.651 9.556 5.285 1.00 3.43 O ATOM 1595 CB LYS A 101 2.288 12.891 5.432 1.00 34.52 C ATOM 1596 CG LYS A 101 1.633 13.801 4.370 1.00 24.13 C ATOM 1597 CD LYS A 101 2.269 15.208 4.351 1.00 41.21 C ATOM 1598 CE LYS A 101 2.265 15.916 2.983 1.00 11.52 C ATOM 1599 NZ LYS A 101 0.910 16.155 2.446 1.00 32.31 N ATOM 0 H LYS A 101 0.882 12.354 7.529 1.00 60.35 H new ATOM 0 HA LYS A 101 1.021 11.289 4.790 1.00 11.54 H new ATOM 0 HB2 LYS A 101 2.377 13.449 6.364 1.00 34.52 H new ATOM 0 HB3 LYS A 101 3.300 12.647 5.108 1.00 34.52 H new ATOM 0 HG2 LYS A 101 1.734 13.343 3.386 1.00 24.13 H new ATOM 0 HG3 LYS A 101 0.566 13.887 4.573 1.00 24.13 H new ATOM 0 HD2 LYS A 101 1.741 15.837 5.068 1.00 41.21 H new ATOM 0 HD3 LYS A 101 3.300 15.127 4.696 1.00 41.21 H new ATOM 0 HE2 LYS A 101 2.784 16.870 3.075 1.00 11.52 H new ATOM 0 HE3 LYS A 101 2.829 15.314 2.270 1.00 11.52 H new ATOM 0 HZ1 LYS A 101 0.981 16.634 1.525 1.00 32.31 H new ATOM 0 HZ2 LYS A 101 0.419 15.246 2.327 1.00 32.31 H new ATOM 0 HZ3 LYS A 101 0.375 16.754 3.107 1.00 32.31 H new ATOM 1613 N THR A 102 3.046 10.451 7.303 1.00 12.02 N ATOM 1614 CA THR A 102 4.036 9.447 7.696 1.00 24.20 C ATOM 1615 C THR A 102 3.523 8.028 7.456 1.00 3.40 C ATOM 1616 O THR A 102 4.195 7.229 6.809 1.00 32.42 O ATOM 1617 CB THR A 102 4.441 9.660 9.162 1.00 61.54 C ATOM 1618 OG1 THR A 102 3.292 9.872 9.957 1.00 13.50 O ATOM 1619 CG2 THR A 102 5.367 10.865 9.286 1.00 2.42 C ATOM 0 H THR A 102 2.837 11.136 8.030 1.00 12.02 H new ATOM 0 HA THR A 102 4.920 9.570 7.071 1.00 24.20 H new ATOM 0 HB THR A 102 4.963 8.768 9.508 1.00 61.54 H new ATOM 0 HG1 THR A 102 3.560 10.005 10.890 1.00 13.50 H new ATOM 0 HG21 THR A 102 5.646 11.004 10.331 1.00 2.42 H new ATOM 0 HG22 THR A 102 6.264 10.697 8.690 1.00 2.42 H new ATOM 0 HG23 THR A 102 4.854 11.757 8.926 1.00 2.42 H new ATOM 1627 N ARG A 103 2.302 7.727 7.906 1.00 51.42 N ATOM 1628 CA ARG A 103 1.720 6.398 7.749 1.00 64.34 C ATOM 1629 C ARG A 103 1.540 5.999 6.280 1.00 14.23 C ATOM 1630 O ARG A 103 1.562 4.803 5.995 1.00 75.13 O ATOM 1631 CB ARG A 103 0.394 6.315 8.518 1.00 23.40 C ATOM 1632 CG ARG A 103 0.589 6.500 10.033 1.00 2.43 C ATOM 1633 CD ARG A 103 -0.758 6.482 10.758 1.00 10.10 C ATOM 1634 NE ARG A 103 -0.595 6.677 12.212 1.00 43.11 N ATOM 1635 CZ ARG A 103 -1.528 6.426 13.140 1.00 61.00 C ATOM 1636 NH1 ARG A 103 -2.736 6.001 12.795 1.00 30.25 N ATOM 1637 NH2 ARG A 103 -1.245 6.611 14.421 1.00 54.13 N ATOM 0 H ARG A 103 1.696 8.393 8.385 1.00 51.42 H new ATOM 0 HA ARG A 103 2.422 5.679 8.171 1.00 64.34 H new ATOM 0 HB2 ARG A 103 -0.289 7.079 8.145 1.00 23.40 H new ATOM 0 HB3 ARG A 103 -0.074 5.349 8.329 1.00 23.40 H new ATOM 0 HG2 ARG A 103 1.228 5.707 10.422 1.00 2.43 H new ATOM 0 HG3 ARG A 103 1.099 7.444 10.226 1.00 2.43 H new ATOM 0 HD2 ARG A 103 -1.399 7.266 10.355 1.00 10.10 H new ATOM 0 HD3 ARG A 103 -1.260 5.532 10.572 1.00 10.10 H new ATOM 0 HE ARG A 103 0.304 7.033 12.538 1.00 43.11 H new ATOM 0 HH11 ARG A 103 -2.966 5.861 11.811 1.00 30.25 H new ATOM 0 HH12 ARG A 103 -3.435 5.814 13.514 1.00 30.25 H new ATOM 0 HH21 ARG A 103 -0.321 6.943 14.696 1.00 54.13 H new ATOM 0 HH22 ARG A 103 -1.951 6.422 15.132 1.00 54.13 H new ATOM 1651 N ARG A 104 1.411 6.945 5.340 1.00 42.10 N ATOM 1652 CA ARG A 104 1.259 6.629 3.917 1.00 54.33 C ATOM 1653 C ARG A 104 2.520 5.943 3.391 1.00 13.22 C ATOM 1654 O ARG A 104 2.419 4.963 2.656 1.00 64.31 O ATOM 1655 CB ARG A 104 0.954 7.885 3.081 1.00 35.54 C ATOM 1656 CG ARG A 104 -0.296 8.679 3.501 1.00 34.24 C ATOM 1657 CD ARG A 104 -1.495 8.542 2.545 1.00 61.21 C ATOM 1658 NE ARG A 104 -1.730 9.726 1.694 1.00 54.13 N ATOM 1659 CZ ARG A 104 -2.224 10.906 2.098 1.00 41.22 C ATOM 1660 NH1 ARG A 104 -2.383 11.186 3.386 1.00 31.04 N ATOM 1661 NH2 ARG A 104 -2.571 11.823 1.208 1.00 62.41 N ATOM 0 H ARG A 104 1.409 7.944 5.545 1.00 42.10 H new ATOM 0 HA ARG A 104 0.410 5.952 3.820 1.00 54.33 H new ATOM 0 HB2 ARG A 104 1.817 8.549 3.129 1.00 35.54 H new ATOM 0 HB3 ARG A 104 0.839 7.586 2.039 1.00 35.54 H new ATOM 0 HG2 ARG A 104 -0.601 8.351 4.495 1.00 34.24 H new ATOM 0 HG3 ARG A 104 -0.031 9.733 3.581 1.00 34.24 H new ATOM 0 HD2 ARG A 104 -1.337 7.674 1.905 1.00 61.21 H new ATOM 0 HD3 ARG A 104 -2.393 8.346 3.132 1.00 61.21 H new ATOM 0 HE ARG A 104 -1.494 9.638 0.705 1.00 54.13 H new ATOM 0 HH11 ARG A 104 -2.127 10.497 4.093 1.00 31.04 H new ATOM 0 HH12 ARG A 104 -2.761 12.090 3.668 1.00 31.04 H new ATOM 0 HH21 ARG A 104 -2.463 11.633 0.212 1.00 62.41 H new ATOM 0 HH22 ARG A 104 -2.946 12.719 1.519 1.00 62.41 H new ATOM 1675 N ALA A 105 3.700 6.400 3.819 1.00 70.22 N ATOM 1676 CA ALA A 105 4.990 5.848 3.385 1.00 24.03 C ATOM 1677 C ALA A 105 5.114 4.331 3.604 1.00 20.25 C ATOM 1678 O ALA A 105 5.928 3.665 2.953 1.00 35.22 O ATOM 1679 CB ALA A 105 6.129 6.586 4.099 1.00 40.12 C ATOM 0 H ALA A 105 3.790 7.170 4.482 1.00 70.22 H new ATOM 0 HA ALA A 105 5.056 6.002 2.308 1.00 24.03 H new ATOM 0 HB1 ALA A 105 7.086 6.176 3.777 1.00 40.12 H new ATOM 0 HB2 ALA A 105 6.087 7.647 3.852 1.00 40.12 H new ATOM 0 HB3 ALA A 105 6.025 6.460 5.177 1.00 40.12 H new ATOM 1685 N THR A 106 4.302 3.760 4.494 1.00 12.14 N ATOM 1686 CA THR A 106 4.219 2.328 4.698 1.00 4.13 C ATOM 1687 C THR A 106 3.849 1.613 3.395 1.00 72.24 C ATOM 1688 O THR A 106 4.540 0.672 2.989 1.00 22.21 O ATOM 1689 CB THR A 106 3.171 2.023 5.790 1.00 1.14 C ATOM 1690 OG1 THR A 106 3.227 2.925 6.875 1.00 61.14 O ATOM 1691 CG2 THR A 106 3.310 0.620 6.368 1.00 55.52 C ATOM 0 H THR A 106 3.678 4.294 5.098 1.00 12.14 H new ATOM 0 HA THR A 106 5.194 1.962 5.019 1.00 4.13 H new ATOM 0 HB THR A 106 2.217 2.122 5.271 1.00 1.14 H new ATOM 0 HG1 THR A 106 2.648 3.694 6.691 1.00 61.14 H new ATOM 0 HG21 THR A 106 2.547 0.463 7.130 1.00 55.52 H new ATOM 0 HG22 THR A 106 3.185 -0.115 5.573 1.00 55.52 H new ATOM 0 HG23 THR A 106 4.298 0.507 6.815 1.00 55.52 H new ATOM 1699 N MET A 107 2.744 2.016 2.758 1.00 23.34 N ATOM 1700 CA MET A 107 2.251 1.310 1.588 1.00 40.34 C ATOM 1701 C MET A 107 3.076 1.610 0.350 1.00 5.33 C ATOM 1702 O MET A 107 3.174 0.741 -0.511 1.00 62.54 O ATOM 1703 CB MET A 107 0.772 1.550 1.342 1.00 31.20 C ATOM 1704 CG MET A 107 0.403 3.004 1.072 1.00 41.44 C ATOM 1705 SD MET A 107 -0.571 3.776 2.388 1.00 33.14 S ATOM 1706 CE MET A 107 -2.169 3.042 2.001 1.00 61.45 C ATOM 0 H MET A 107 2.184 2.822 3.036 1.00 23.34 H new ATOM 0 HA MET A 107 2.366 0.248 1.805 1.00 40.34 H new ATOM 0 HB2 MET A 107 0.455 0.944 0.493 1.00 31.20 H new ATOM 0 HB3 MET A 107 0.211 1.201 2.209 1.00 31.20 H new ATOM 0 HG2 MET A 107 1.318 3.579 0.927 1.00 41.44 H new ATOM 0 HG3 MET A 107 -0.159 3.058 0.140 1.00 41.44 H new ATOM 0 HE1 MET A 107 -2.872 3.254 2.807 1.00 61.45 H new ATOM 0 HE2 MET A 107 -2.547 3.463 1.070 1.00 61.45 H new ATOM 0 HE3 MET A 107 -2.057 1.963 1.892 1.00 61.45 H new ATOM 1716 N THR A 108 3.717 2.776 0.269 1.00 1.33 N ATOM 1717 CA THR A 108 4.545 3.060 -0.886 1.00 25.54 C ATOM 1718 C THR A 108 5.697 2.056 -0.929 1.00 54.14 C ATOM 1719 O THR A 108 5.887 1.423 -1.961 1.00 2.12 O ATOM 1720 CB THR A 108 5.016 4.517 -0.890 1.00 1.25 C ATOM 1721 OG1 THR A 108 4.019 5.372 -0.362 1.00 14.12 O ATOM 1722 CG2 THR A 108 5.358 4.928 -2.326 1.00 24.35 C ATOM 0 H THR A 108 3.678 3.515 0.971 1.00 1.33 H new ATOM 0 HA THR A 108 3.961 2.942 -1.799 1.00 25.54 H new ATOM 0 HB THR A 108 5.901 4.606 -0.260 1.00 1.25 H new ATOM 0 HG1 THR A 108 4.444 6.143 0.068 1.00 14.12 H new ATOM 0 HG21 THR A 108 5.694 5.965 -2.337 1.00 24.35 H new ATOM 0 HG22 THR A 108 6.150 4.285 -2.710 1.00 24.35 H new ATOM 0 HG23 THR A 108 4.473 4.827 -2.954 1.00 24.35 H new ATOM 1730 N ASN A 109 6.403 1.814 0.190 1.00 11.01 N ATOM 1731 CA ASN A 109 7.504 0.842 0.177 1.00 54.14 C ATOM 1732 C ASN A 109 7.023 -0.549 -0.239 1.00 42.11 C ATOM 1733 O ASN A 109 7.751 -1.306 -0.875 1.00 42.12 O ATOM 1734 CB ASN A 109 8.196 0.730 1.542 1.00 62.32 C ATOM 1735 CG ASN A 109 9.583 0.106 1.337 1.00 61.53 C ATOM 1736 OD1 ASN A 109 10.540 0.807 1.027 1.00 53.42 O ATOM 1737 ND2 ASN A 109 9.713 -1.209 1.469 1.00 61.13 N ATOM 0 H ASN A 109 6.236 2.265 1.090 1.00 11.01 H new ATOM 0 HA ASN A 109 8.220 1.216 -0.555 1.00 54.14 H new ATOM 0 HB2 ASN A 109 8.288 1.714 2.002 1.00 62.32 H new ATOM 0 HB3 ASN A 109 7.601 0.116 2.219 1.00 62.32 H new ATOM 0 HD21 ASN A 109 10.619 -1.650 1.312 1.00 61.13 H new ATOM 0 HD22 ASN A 109 8.907 -1.778 1.728 1.00 61.13 H new ATOM 1744 N TRP A 110 5.803 -0.900 0.164 1.00 22.35 N ATOM 1745 CA TRP A 110 5.201 -2.176 -0.166 1.00 42.20 C ATOM 1746 C TRP A 110 4.857 -2.274 -1.652 1.00 12.10 C ATOM 1747 O TRP A 110 5.035 -3.344 -2.218 1.00 4.52 O ATOM 1748 CB TRP A 110 3.956 -2.383 0.689 1.00 23.31 C ATOM 1749 CG TRP A 110 3.161 -3.582 0.305 1.00 24.24 C ATOM 1750 CD1 TRP A 110 3.469 -4.864 0.587 1.00 33.14 C ATOM 1751 CD2 TRP A 110 1.990 -3.627 -0.553 1.00 32.24 C ATOM 1752 NE1 TRP A 110 2.552 -5.693 -0.023 1.00 10.43 N ATOM 1753 CE2 TRP A 110 1.605 -4.985 -0.736 1.00 44.34 C ATOM 1754 CE3 TRP A 110 1.249 -2.641 -1.226 1.00 13.51 C ATOM 1755 CZ2 TRP A 110 0.509 -5.341 -1.538 1.00 34.21 C ATOM 1756 CZ3 TRP A 110 0.227 -2.993 -2.123 1.00 13.24 C ATOM 1757 CH2 TRP A 110 -0.136 -4.339 -2.283 1.00 62.30 C ATOM 0 H TRP A 110 5.207 -0.298 0.732 1.00 22.35 H new ATOM 0 HA TRP A 110 5.925 -2.963 0.046 1.00 42.20 H new ATOM 0 HB2 TRP A 110 4.254 -2.474 1.733 1.00 23.31 H new ATOM 0 HB3 TRP A 110 3.323 -1.499 0.614 1.00 23.31 H new ATOM 0 HD1 TRP A 110 4.301 -5.189 1.194 1.00 33.14 H new ATOM 0 HE1 TRP A 110 2.571 -6.711 0.044 1.00 10.43 H new ATOM 0 HE3 TRP A 110 1.468 -1.598 -1.051 1.00 13.51 H new ATOM 0 HZ2 TRP A 110 0.168 -6.365 -1.582 1.00 34.21 H new ATOM 0 HZ3 TRP A 110 -0.280 -2.227 -2.690 1.00 13.24 H new ATOM 0 HH2 TRP A 110 -0.915 -4.606 -2.982 1.00 62.30 H new ATOM 1768 N LEU A 111 4.378 -1.208 -2.299 1.00 1.15 N ATOM 1769 CA LEU A 111 3.970 -1.279 -3.703 1.00 42.22 C ATOM 1770 C LEU A 111 5.160 -1.639 -4.600 1.00 50.20 C ATOM 1771 O LEU A 111 4.983 -2.357 -5.586 1.00 52.52 O ATOM 1772 CB LEU A 111 3.314 0.043 -4.138 1.00 5.53 C ATOM 1773 CG LEU A 111 1.833 0.123 -3.715 1.00 63.22 C ATOM 1774 CD1 LEU A 111 1.333 1.559 -3.551 1.00 24.44 C ATOM 1775 CD2 LEU A 111 0.919 -0.606 -4.709 1.00 21.13 C ATOM 0 H LEU A 111 4.264 -0.288 -1.873 1.00 1.15 H new ATOM 0 HA LEU A 111 3.230 -2.072 -3.811 1.00 42.22 H new ATOM 0 HB2 LEU A 111 3.861 0.879 -3.702 1.00 5.53 H new ATOM 0 HB3 LEU A 111 3.387 0.144 -5.221 1.00 5.53 H new ATOM 0 HG LEU A 111 1.788 -0.368 -2.743 1.00 63.22 H new ATOM 0 HD11 LEU A 111 0.285 1.547 -3.253 1.00 24.44 H new ATOM 0 HD12 LEU A 111 1.922 2.064 -2.786 1.00 24.44 H new ATOM 0 HD13 LEU A 111 1.435 2.090 -4.497 1.00 24.44 H new ATOM 0 HD21 LEU A 111 -0.116 -0.527 -4.377 1.00 21.13 H new ATOM 0 HD22 LEU A 111 1.019 -0.153 -5.695 1.00 21.13 H new ATOM 0 HD23 LEU A 111 1.204 -1.657 -4.762 1.00 21.13 H new ATOM 1787 N LEU A 112 6.379 -1.216 -4.242 1.00 22.13 N ATOM 1788 CA LEU A 112 7.584 -1.696 -4.905 1.00 55.00 C ATOM 1789 C LEU A 112 7.774 -3.187 -4.638 1.00 42.05 C ATOM 1790 O LEU A 112 8.022 -3.938 -5.571 1.00 3.21 O ATOM 1791 CB LEU A 112 8.839 -0.944 -4.448 1.00 53.21 C ATOM 1792 CG LEU A 112 8.969 0.540 -4.814 1.00 62.31 C ATOM 1793 CD1 LEU A 112 8.674 0.778 -6.292 1.00 22.24 C ATOM 1794 CD2 LEU A 112 8.148 1.427 -3.888 1.00 61.12 C ATOM 0 H LEU A 112 6.550 -0.542 -3.496 1.00 22.13 H new ATOM 0 HA LEU A 112 7.451 -1.516 -5.972 1.00 55.00 H new ATOM 0 HB2 LEU A 112 8.899 -1.026 -3.363 1.00 53.21 H new ATOM 0 HB3 LEU A 112 9.706 -1.464 -4.855 1.00 53.21 H new ATOM 0 HG LEU A 112 10.008 0.831 -4.659 1.00 62.31 H new ATOM 0 HD11 LEU A 112 8.775 1.840 -6.517 1.00 22.24 H new ATOM 0 HD12 LEU A 112 9.378 0.210 -6.900 1.00 22.24 H new ATOM 0 HD13 LEU A 112 7.658 0.455 -6.517 1.00 22.24 H new ATOM 0 HD21 LEU A 112 8.268 2.470 -4.182 1.00 61.12 H new ATOM 0 HD22 LEU A 112 7.096 1.150 -3.957 1.00 61.12 H new ATOM 0 HD23 LEU A 112 8.491 1.298 -2.862 1.00 61.12 H new ATOM 1806 N ALA A 113 7.673 -3.631 -3.382 1.00 51.23 N ATOM 1807 CA ALA A 113 7.860 -5.035 -3.029 1.00 22.43 C ATOM 1808 C ALA A 113 6.832 -5.944 -3.727 1.00 54.44 C ATOM 1809 O ALA A 113 7.167 -7.061 -4.115 1.00 44.53 O ATOM 1810 CB ALA A 113 7.815 -5.199 -1.508 1.00 20.41 C ATOM 0 H ALA A 113 7.460 -3.028 -2.587 1.00 51.23 H new ATOM 0 HA ALA A 113 8.841 -5.349 -3.384 1.00 22.43 H new ATOM 0 HB1 ALA A 113 7.955 -6.249 -1.251 1.00 20.41 H new ATOM 0 HB2 ALA A 113 8.609 -4.605 -1.054 1.00 20.41 H new ATOM 0 HB3 ALA A 113 6.849 -4.860 -1.134 1.00 20.41 H new ATOM 1816 N TYR A 114 5.603 -5.460 -3.931 1.00 53.12 N ATOM 1817 CA TYR A 114 4.581 -6.111 -4.738 1.00 74.02 C ATOM 1818 C TYR A 114 5.083 -6.266 -6.168 1.00 12.34 C ATOM 1819 O TYR A 114 5.209 -7.397 -6.636 1.00 42.13 O ATOM 1820 CB TYR A 114 3.266 -5.317 -4.691 1.00 50.21 C ATOM 1821 CG TYR A 114 2.199 -5.747 -5.690 1.00 53.02 C ATOM 1822 CD1 TYR A 114 1.690 -7.057 -5.664 1.00 44.44 C ATOM 1823 CD2 TYR A 114 1.686 -4.832 -6.630 1.00 21.51 C ATOM 1824 CE1 TYR A 114 0.607 -7.422 -6.485 1.00 14.22 C ATOM 1825 CE2 TYR A 114 0.603 -5.188 -7.457 1.00 53.52 C ATOM 1826 CZ TYR A 114 0.021 -6.468 -7.347 1.00 31.34 C ATOM 1827 OH TYR A 114 -1.153 -6.743 -7.983 1.00 72.52 O ATOM 0 H TYR A 114 5.288 -4.579 -3.525 1.00 53.12 H new ATOM 0 HA TYR A 114 4.379 -7.102 -4.331 1.00 74.02 H new ATOM 0 HB2 TYR A 114 2.850 -5.397 -3.686 1.00 50.21 H new ATOM 0 HB3 TYR A 114 3.492 -4.264 -4.860 1.00 50.21 H new ATOM 0 HD1 TYR A 114 2.134 -7.790 -5.008 1.00 44.44 H new ATOM 0 HD2 TYR A 114 2.127 -3.850 -6.717 1.00 21.51 H new ATOM 0 HE1 TYR A 114 0.224 -8.431 -6.456 1.00 14.22 H new ATOM 0 HE2 TYR A 114 0.218 -4.480 -8.176 1.00 53.52 H new ATOM 0 HH TYR A 114 -1.877 -6.797 -7.325 1.00 72.52 H new ATOM 1837 N ARG A 115 5.381 -5.162 -6.872 1.00 54.32 N ATOM 1838 CA ARG A 115 5.747 -5.296 -8.277 1.00 54.43 C ATOM 1839 C ARG A 115 7.053 -6.069 -8.437 1.00 53.04 C ATOM 1840 O ARG A 115 7.178 -6.814 -9.409 1.00 62.32 O ATOM 1841 CB ARG A 115 5.699 -3.953 -9.019 1.00 43.32 C ATOM 1842 CG ARG A 115 6.816 -2.970 -8.650 1.00 50.51 C ATOM 1843 CD ARG A 115 6.527 -1.589 -9.259 1.00 11.23 C ATOM 1844 NE ARG A 115 7.682 -0.683 -9.227 1.00 43.40 N ATOM 1845 CZ ARG A 115 8.849 -0.847 -9.866 1.00 25.35 C ATOM 1846 NH1 ARG A 115 8.997 -1.791 -10.792 1.00 71.40 N ATOM 1847 NH2 ARG A 115 9.845 -0.030 -9.561 1.00 1.03 N ATOM 0 H ARG A 115 5.375 -4.210 -6.506 1.00 54.32 H new ATOM 0 HA ARG A 115 4.990 -5.904 -8.773 1.00 54.43 H new ATOM 0 HB2 ARG A 115 5.744 -4.145 -10.091 1.00 43.32 H new ATOM 0 HB3 ARG A 115 4.738 -3.479 -8.820 1.00 43.32 H new ATOM 0 HG2 ARG A 115 6.896 -2.888 -7.566 1.00 50.51 H new ATOM 0 HG3 ARG A 115 7.774 -3.343 -9.013 1.00 50.51 H new ATOM 0 HD2 ARG A 115 6.203 -1.716 -10.292 1.00 11.23 H new ATOM 0 HD3 ARG A 115 5.699 -1.129 -8.720 1.00 11.23 H new ATOM 0 HE ARG A 115 7.586 0.159 -8.659 1.00 43.40 H new ATOM 0 HH11 ARG A 115 8.215 -2.404 -11.025 1.00 71.40 H new ATOM 0 HH12 ARG A 115 9.892 -1.902 -11.269 1.00 71.40 H new ATOM 0 HH21 ARG A 115 9.711 0.697 -8.858 1.00 1.03 H new ATOM 0 HH22 ARG A 115 10.746 -0.128 -10.029 1.00 1.03 H new ATOM 1861 N ARG A 116 7.983 -5.982 -7.477 1.00 12.55 N ATOM 1862 CA ARG A 116 9.147 -6.861 -7.365 1.00 15.33 C ATOM 1863 C ARG A 116 8.707 -8.313 -7.433 1.00 55.24 C ATOM 1864 O ARG A 116 9.103 -9.032 -8.341 1.00 45.43 O ATOM 1865 CB ARG A 116 9.973 -6.569 -6.093 1.00 21.24 C ATOM 1866 CG ARG A 116 10.985 -5.414 -6.216 1.00 11.10 C ATOM 1867 CD ARG A 116 12.095 -5.772 -7.209 1.00 53.20 C ATOM 1868 NE ARG A 116 12.869 -4.635 -7.728 1.00 5.54 N ATOM 1869 CZ ARG A 116 13.575 -4.726 -8.865 1.00 33.12 C ATOM 1870 NH1 ARG A 116 13.877 -5.921 -9.378 1.00 21.23 N ATOM 1871 NH2 ARG A 116 13.939 -3.610 -9.480 1.00 55.53 N ATOM 0 H ARG A 116 7.943 -5.279 -6.739 1.00 12.55 H new ATOM 0 HA ARG A 116 9.808 -6.661 -8.208 1.00 15.33 H new ATOM 0 HB2 ARG A 116 9.286 -6.343 -5.278 1.00 21.24 H new ATOM 0 HB3 ARG A 116 10.512 -7.474 -5.814 1.00 21.24 H new ATOM 0 HG2 ARG A 116 10.474 -4.509 -6.545 1.00 11.10 H new ATOM 0 HG3 ARG A 116 11.419 -5.198 -5.240 1.00 11.10 H new ATOM 0 HD2 ARG A 116 12.782 -6.466 -6.725 1.00 53.20 H new ATOM 0 HD3 ARG A 116 11.649 -6.300 -8.051 1.00 53.20 H new ATOM 0 HE ARG A 116 12.869 -3.756 -7.211 1.00 5.54 H new ATOM 0 HH11 ARG A 116 13.571 -6.771 -8.905 1.00 21.23 H new ATOM 0 HH12 ARG A 116 14.414 -5.984 -10.243 1.00 21.23 H new ATOM 0 HH21 ARG A 116 13.682 -2.704 -9.088 1.00 55.53 H new ATOM 0 HH22 ARG A 116 14.476 -3.657 -10.346 1.00 55.53 H new ATOM 1885 N SER A 117 7.865 -8.741 -6.509 1.00 43.40 N ATOM 1886 CA SER A 117 7.377 -10.110 -6.456 1.00 13.12 C ATOM 1887 C SER A 117 6.635 -10.550 -7.730 1.00 64.24 C ATOM 1888 O SER A 117 6.581 -11.752 -7.990 1.00 23.43 O ATOM 1889 CB SER A 117 6.519 -10.289 -5.200 1.00 71.21 C ATOM 1890 OG SER A 117 7.358 -10.461 -4.069 1.00 1.51 O ATOM 0 H SER A 117 7.497 -8.144 -5.768 1.00 43.40 H new ATOM 0 HA SER A 117 8.243 -10.770 -6.402 1.00 13.12 H new ATOM 0 HB2 SER A 117 5.877 -9.420 -5.060 1.00 71.21 H new ATOM 0 HB3 SER A 117 5.865 -11.153 -5.315 1.00 71.21 H new ATOM 0 HG SER A 117 6.807 -10.574 -3.267 1.00 1.51 H new ATOM 1896 N GLN A 118 6.118 -9.640 -8.564 1.00 53.52 N ATOM 1897 CA GLN A 118 5.504 -10.024 -9.838 1.00 32.32 C ATOM 1898 C GLN A 118 6.522 -10.416 -10.919 1.00 64.02 C ATOM 1899 O GLN A 118 6.152 -11.097 -11.875 1.00 42.33 O ATOM 1900 CB GLN A 118 4.578 -8.913 -10.358 1.00 53.12 C ATOM 1901 CG GLN A 118 3.370 -8.643 -9.450 1.00 5.34 C ATOM 1902 CD GLN A 118 2.560 -7.461 -9.971 1.00 51.34 C ATOM 1903 OE1 GLN A 118 2.911 -6.307 -9.762 1.00 70.24 O ATOM 1904 NE2 GLN A 118 1.484 -7.701 -10.704 1.00 22.21 N ATOM 0 H GLN A 118 6.113 -8.637 -8.380 1.00 53.52 H new ATOM 0 HA GLN A 118 4.917 -10.918 -9.626 1.00 32.32 H new ATOM 0 HB2 GLN A 118 5.153 -7.993 -10.466 1.00 53.12 H new ATOM 0 HB3 GLN A 118 4.221 -9.185 -11.352 1.00 53.12 H new ATOM 0 HG2 GLN A 118 2.739 -9.530 -9.402 1.00 5.34 H new ATOM 0 HG3 GLN A 118 3.710 -8.438 -8.435 1.00 5.34 H new ATOM 0 HE21 GLN A 118 1.190 -8.662 -10.879 1.00 22.21 H new ATOM 0 HE22 GLN A 118 0.949 -6.925 -11.094 1.00 22.21 H new