USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 46 SER OG : rot -0:sc= 2 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -145:sc= 1.07 (180deg=-0.00425) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0611 X(o=-0.061,f=-0.06) USER MOD Single : A 3 MET CE :methyl -163:sc= -0.0188 (180deg=-0.285) USER MOD Single : A 4 ASN : amide:sc=-0.00668 K(o=-0.0067,f=-1.5) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 14 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 17 CYS SG : rot 150:sc= -2.08 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.172 F(o=-1.3,f=-0.17) USER MOD Single : A 34 SER OG : rot 173:sc= 1.2 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0618) USER MOD Single : A 44 MET CE :methyl -169:sc= -0.843 (180deg=-1.18) USER MOD Single : A 49 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -91:sc= 0.747 USER MOD Single : A 65 SER OG : rot 100:sc= 1.23 USER MOD Single : A 66 SER OG : rot 168:sc= 0.0236 USER MOD Single : A 74 THR OG1 : rot 22:sc= -0.164 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.423 F(o=-1.1,f=-0.42) USER MOD Single : A 86 GLN : amide:sc=-0.00402 X(o=-0.004,f=-0.093) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.269 K(o=0.27,f=-0.93) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.603 K(o=0.6,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.208 15.859 -3.201 1.00 11.11 N ATOM 2 CA GLY A 1 -12.961 15.461 -4.592 1.00 73.41 C ATOM 3 C GLY A 1 -13.417 16.530 -5.562 1.00 15.34 C ATOM 4 O GLY A 1 -12.631 17.416 -5.893 1.00 0.01 O ATOM 0 H1 GLY A 1 -12.885 15.105 -2.562 1.00 11.11 H new ATOM 0 H2 GLY A 1 -12.689 16.736 -2.993 1.00 11.11 H new ATOM 0 H3 GLY A 1 -14.226 16.018 -3.061 1.00 11.11 H new ATOM 0 HA2 GLY A 1 -11.897 15.269 -4.734 1.00 73.41 H new ATOM 0 HA3 GLY A 1 -13.484 14.529 -4.804 1.00 73.41 H new ATOM 8 N HIS A 2 -14.675 16.472 -6.021 1.00 31.45 N ATOM 9 CA HIS A 2 -15.218 17.336 -7.073 1.00 73.14 C ATOM 10 C HIS A 2 -14.293 17.299 -8.301 1.00 51.20 C ATOM 11 O HIS A 2 -13.716 18.307 -8.701 1.00 30.44 O ATOM 12 CB HIS A 2 -15.528 18.730 -6.490 1.00 31.54 C ATOM 13 CG HIS A 2 -16.005 19.779 -7.465 1.00 40.31 C ATOM 14 ND1 HIS A 2 -15.444 21.026 -7.627 1.00 53.03 N ATOM 15 CD2 HIS A 2 -17.068 19.689 -8.322 1.00 60.31 C ATOM 16 CE1 HIS A 2 -16.140 21.672 -8.574 1.00 32.12 C ATOM 17 NE2 HIS A 2 -17.151 20.904 -9.020 1.00 34.43 N ATOM 0 H HIS A 2 -15.358 15.806 -5.661 1.00 31.45 H new ATOM 0 HA HIS A 2 -16.178 16.975 -7.443 1.00 73.14 H new ATOM 0 HB2 HIS A 2 -16.286 18.615 -5.716 1.00 31.54 H new ATOM 0 HB3 HIS A 2 -14.628 19.103 -6.002 1.00 31.54 H new ATOM 0 HD2 HIS A 2 -17.723 18.839 -8.440 1.00 60.31 H new ATOM 0 HE1 HIS A 2 -15.920 22.668 -8.929 1.00 32.12 H new ATOM 0 HE2 HIS A 2 -17.842 21.155 -9.727 1.00 34.43 H new ATOM 24 N MET A 3 -14.144 16.092 -8.859 1.00 41.04 N ATOM 25 CA MET A 3 -13.374 15.676 -10.039 1.00 10.43 C ATOM 26 C MET A 3 -11.945 16.213 -10.191 1.00 23.22 C ATOM 27 O MET A 3 -11.343 16.008 -11.242 1.00 2.21 O ATOM 28 CB MET A 3 -14.206 15.784 -11.336 1.00 71.11 C ATOM 29 CG MET A 3 -14.417 17.203 -11.886 1.00 32.15 C ATOM 30 SD MET A 3 -15.793 18.169 -11.192 1.00 1.13 S ATOM 31 CE MET A 3 -17.218 17.203 -11.758 1.00 70.14 C ATOM 0 H MET A 3 -14.616 15.288 -8.445 1.00 41.04 H new ATOM 0 HA MET A 3 -13.177 14.623 -9.836 1.00 10.43 H new ATOM 0 HB2 MET A 3 -13.720 15.186 -12.107 1.00 71.11 H new ATOM 0 HB3 MET A 3 -15.184 15.337 -11.155 1.00 71.11 H new ATOM 0 HG2 MET A 3 -13.497 17.766 -11.730 1.00 32.15 H new ATOM 0 HG3 MET A 3 -14.566 17.129 -12.963 1.00 32.15 H new ATOM 0 HE1 MET A 3 -18.121 17.808 -11.681 1.00 70.14 H new ATOM 0 HE2 MET A 3 -17.067 16.907 -12.796 1.00 70.14 H new ATOM 0 HE3 MET A 3 -17.323 16.313 -11.138 1.00 70.14 H new ATOM 39 N ASN A 4 -11.373 16.842 -9.166 1.00 14.13 N ATOM 40 CA ASN A 4 -10.053 17.449 -9.209 1.00 30.43 C ATOM 41 C ASN A 4 -9.193 16.839 -8.111 1.00 70.52 C ATOM 42 O ASN A 4 -9.683 16.564 -7.014 1.00 25.53 O ATOM 43 CB ASN A 4 -10.208 18.959 -9.042 1.00 30.24 C ATOM 44 CG ASN A 4 -8.892 19.714 -9.141 1.00 22.53 C ATOM 45 OD1 ASN A 4 -7.899 19.241 -9.691 1.00 62.54 O ATOM 46 ND2 ASN A 4 -8.871 20.929 -8.625 1.00 53.42 N ATOM 0 H ASN A 4 -11.831 16.944 -8.260 1.00 14.13 H new ATOM 0 HA ASN A 4 -9.560 17.260 -10.163 1.00 30.43 H new ATOM 0 HB2 ASN A 4 -10.892 19.333 -9.804 1.00 30.24 H new ATOM 0 HB3 ASN A 4 -10.665 19.165 -8.074 1.00 30.24 H new ATOM 0 HD21 ASN A 4 -8.022 21.491 -8.679 1.00 53.42 H new ATOM 0 HD22 ASN A 4 -9.704 21.305 -8.172 1.00 53.42 H new ATOM 52 N LEU A 5 -7.923 16.605 -8.421 1.00 25.23 N ATOM 53 CA LEU A 5 -6.937 16.024 -7.524 1.00 13.03 C ATOM 54 C LEU A 5 -6.579 17.061 -6.462 1.00 65.14 C ATOM 55 O LEU A 5 -6.339 18.229 -6.794 1.00 25.21 O ATOM 56 CB LEU A 5 -5.703 15.610 -8.356 1.00 22.42 C ATOM 57 CG LEU A 5 -5.110 14.234 -8.010 1.00 2.42 C ATOM 58 CD1 LEU A 5 -4.695 14.129 -6.547 1.00 74.52 C ATOM 59 CD2 LEU A 5 -6.053 13.073 -8.353 1.00 62.30 C ATOM 0 H LEU A 5 -7.539 16.824 -9.340 1.00 25.23 H new ATOM 0 HA LEU A 5 -7.325 15.138 -7.021 1.00 13.03 H new ATOM 0 HB2 LEU A 5 -5.978 15.614 -9.411 1.00 22.42 H new ATOM 0 HB3 LEU A 5 -4.928 16.365 -8.226 1.00 22.42 H new ATOM 0 HG LEU A 5 -4.221 14.149 -8.635 1.00 2.42 H new ATOM 0 HD11 LEU A 5 -4.283 13.138 -6.356 1.00 74.52 H new ATOM 0 HD12 LEU A 5 -3.940 14.884 -6.328 1.00 74.52 H new ATOM 0 HD13 LEU A 5 -5.565 14.289 -5.910 1.00 74.52 H new ATOM 0 HD21 LEU A 5 -5.579 12.128 -8.086 1.00 62.30 H new ATOM 0 HD22 LEU A 5 -6.983 13.183 -7.795 1.00 62.30 H new ATOM 0 HD23 LEU A 5 -6.268 13.082 -9.422 1.00 62.30 H new ATOM 70 N THR A 6 -6.515 16.660 -5.196 1.00 63.51 N ATOM 71 CA THR A 6 -6.016 17.509 -4.122 1.00 51.13 C ATOM 72 C THR A 6 -4.514 17.806 -4.326 1.00 62.33 C ATOM 73 O THR A 6 -3.839 17.163 -5.140 1.00 22.44 O ATOM 74 CB THR A 6 -6.321 16.852 -2.752 1.00 50.00 C ATOM 75 OG1 THR A 6 -6.623 15.471 -2.855 1.00 24.43 O ATOM 76 CG2 THR A 6 -7.557 17.485 -2.122 1.00 32.21 C ATOM 0 H THR A 6 -6.809 15.734 -4.886 1.00 63.51 H new ATOM 0 HA THR A 6 -6.528 18.471 -4.140 1.00 51.13 H new ATOM 0 HB THR A 6 -5.419 17.000 -2.159 1.00 50.00 H new ATOM 0 HG1 THR A 6 -6.805 15.109 -1.963 1.00 24.43 H new ATOM 0 HG21 THR A 6 -7.758 17.013 -1.160 1.00 32.21 H new ATOM 0 HG22 THR A 6 -7.384 18.551 -1.974 1.00 32.21 H new ATOM 0 HG23 THR A 6 -8.414 17.345 -2.781 1.00 32.21 H new ATOM 84 N PRO A 7 -3.948 18.802 -3.625 1.00 41.10 N ATOM 85 CA PRO A 7 -2.503 18.984 -3.553 1.00 31.35 C ATOM 86 C PRO A 7 -1.861 17.837 -2.766 1.00 53.40 C ATOM 87 O PRO A 7 -0.878 17.252 -3.228 1.00 24.33 O ATOM 88 CB PRO A 7 -2.299 20.342 -2.880 1.00 53.01 C ATOM 89 CG PRO A 7 -3.575 20.569 -2.076 1.00 13.04 C ATOM 90 CD PRO A 7 -4.647 19.823 -2.861 1.00 52.01 C ATOM 0 HA PRO A 7 -2.028 18.968 -4.534 1.00 31.35 H new ATOM 0 HB2 PRO A 7 -1.420 20.337 -2.235 1.00 53.01 H new ATOM 0 HB3 PRO A 7 -2.149 21.131 -3.617 1.00 53.01 H new ATOM 0 HG2 PRO A 7 -3.481 20.181 -1.062 1.00 13.04 H new ATOM 0 HG3 PRO A 7 -3.809 21.630 -1.991 1.00 13.04 H new ATOM 0 HD2 PRO A 7 -5.380 19.375 -2.191 1.00 52.01 H new ATOM 0 HD3 PRO A 7 -5.190 20.500 -3.520 1.00 52.01 H new ATOM 95 N GLU A 8 -2.424 17.516 -1.600 1.00 11.45 N ATOM 96 CA GLU A 8 -1.836 16.614 -0.626 1.00 23.14 C ATOM 97 C GLU A 8 -1.671 15.211 -1.204 1.00 73.42 C ATOM 98 O GLU A 8 -0.573 14.672 -1.146 1.00 21.15 O ATOM 99 CB GLU A 8 -2.711 16.613 0.631 1.00 63.10 C ATOM 100 CG GLU A 8 -2.000 15.953 1.814 1.00 31.21 C ATOM 101 CD GLU A 8 -2.916 15.892 3.032 1.00 62.52 C ATOM 102 OE1 GLU A 8 -3.589 16.902 3.346 1.00 3.24 O ATOM 103 OE2 GLU A 8 -2.991 14.823 3.673 1.00 31.32 O ATOM 0 H GLU A 8 -3.326 17.890 -1.305 1.00 11.45 H new ATOM 0 HA GLU A 8 -0.836 16.958 -0.362 1.00 23.14 H new ATOM 0 HB2 GLU A 8 -2.976 17.638 0.891 1.00 63.10 H new ATOM 0 HB3 GLU A 8 -3.643 16.085 0.426 1.00 63.10 H new ATOM 0 HG2 GLU A 8 -1.686 14.946 1.539 1.00 31.21 H new ATOM 0 HG3 GLU A 8 -1.098 16.513 2.060 1.00 31.21 H new ATOM 108 N GLU A 9 -2.715 14.649 -1.823 1.00 12.31 N ATOM 109 CA GLU A 9 -2.683 13.318 -2.435 1.00 12.12 C ATOM 110 C GLU A 9 -1.498 13.174 -3.399 1.00 21.53 C ATOM 111 O GLU A 9 -0.786 12.174 -3.376 1.00 61.43 O ATOM 112 CB GLU A 9 -4.023 13.053 -3.158 1.00 72.21 C ATOM 113 CG GLU A 9 -4.829 11.903 -2.549 1.00 65.30 C ATOM 114 CD GLU A 9 -4.191 10.531 -2.801 1.00 74.31 C ATOM 115 OE1 GLU A 9 -3.294 10.135 -2.020 1.00 72.33 O ATOM 116 OE2 GLU A 9 -4.607 9.885 -3.789 1.00 65.34 O ATOM 0 H GLU A 9 -3.619 15.114 -1.914 1.00 12.31 H new ATOM 0 HA GLU A 9 -2.548 12.574 -1.650 1.00 12.12 H new ATOM 0 HB2 GLU A 9 -4.625 13.961 -3.134 1.00 72.21 H new ATOM 0 HB3 GLU A 9 -3.823 12.831 -4.206 1.00 72.21 H new ATOM 0 HG2 GLU A 9 -4.926 12.062 -1.475 1.00 65.30 H new ATOM 0 HG3 GLU A 9 -5.837 11.912 -2.964 1.00 65.30 H new ATOM 121 N ARG A 10 -1.246 14.185 -4.238 1.00 51.21 N ATOM 122 CA ARG A 10 -0.105 14.160 -5.155 1.00 12.15 C ATOM 123 C ARG A 10 1.217 14.147 -4.405 1.00 23.51 C ATOM 124 O ARG A 10 2.173 13.530 -4.874 1.00 52.30 O ATOM 125 CB ARG A 10 -0.142 15.376 -6.088 1.00 14.03 C ATOM 126 CG ARG A 10 -0.875 15.062 -7.387 1.00 50.21 C ATOM 127 CD ARG A 10 -0.859 16.302 -8.268 1.00 34.34 C ATOM 128 NE ARG A 10 -1.492 16.060 -9.564 1.00 21.21 N ATOM 129 CZ ARG A 10 -1.493 16.924 -10.579 1.00 42.42 C ATOM 130 NH1 ARG A 10 -1.001 18.154 -10.462 1.00 74.31 N ATOM 131 NH2 ARG A 10 -2.000 16.542 -11.736 1.00 12.33 N ATOM 0 H ARG A 10 -1.817 15.028 -4.300 1.00 51.21 H new ATOM 0 HA ARG A 10 -0.181 13.243 -5.740 1.00 12.15 H new ATOM 0 HB2 ARG A 10 -0.634 16.208 -5.584 1.00 14.03 H new ATOM 0 HB3 ARG A 10 0.876 15.695 -6.312 1.00 14.03 H new ATOM 0 HG2 ARG A 10 -0.395 14.228 -7.900 1.00 50.21 H new ATOM 0 HG3 ARG A 10 -1.901 14.760 -7.178 1.00 50.21 H new ATOM 0 HD2 ARG A 10 -1.375 17.116 -7.758 1.00 34.34 H new ATOM 0 HD3 ARG A 10 0.171 16.625 -8.422 1.00 34.34 H new ATOM 0 HE ARG A 10 -1.966 15.167 -9.701 1.00 21.21 H new ATOM 0 HH11 ARG A 10 -0.606 18.463 -9.574 1.00 74.31 H new ATOM 0 HH12 ARG A 10 -1.019 18.788 -11.261 1.00 74.31 H new ATOM 0 HH21 ARG A 10 -2.381 15.602 -11.840 1.00 12.33 H new ATOM 0 HH22 ARG A 10 -2.011 17.187 -12.526 1.00 12.33 H new ATOM 142 N ASP A 11 1.298 14.870 -3.295 1.00 70.34 N ATOM 143 CA ASP A 11 2.527 14.982 -2.519 1.00 52.20 C ATOM 144 C ASP A 11 2.743 13.751 -1.635 1.00 74.21 C ATOM 145 O ASP A 11 3.861 13.538 -1.164 1.00 5.43 O ATOM 146 CB ASP A 11 2.495 16.283 -1.692 1.00 72.32 C ATOM 147 CG ASP A 11 3.761 17.116 -1.890 1.00 73.41 C ATOM 148 OD1 ASP A 11 4.191 17.263 -3.061 1.00 54.02 O ATOM 149 OD2 ASP A 11 4.296 17.663 -0.902 1.00 63.30 O ATOM 0 H ASP A 11 0.514 15.395 -2.907 1.00 70.34 H new ATOM 0 HA ASP A 11 3.376 15.026 -3.202 1.00 52.20 H new ATOM 0 HB2 ASP A 11 1.624 16.873 -1.977 1.00 72.32 H new ATOM 0 HB3 ASP A 11 2.383 16.039 -0.636 1.00 72.32 H new ATOM 153 N ALA A 12 1.686 12.959 -1.418 1.00 32.53 N ATOM 154 CA ALA A 12 1.625 11.807 -0.530 1.00 21.53 C ATOM 155 C ALA A 12 1.814 10.488 -1.289 1.00 52.01 C ATOM 156 O ALA A 12 2.635 9.672 -0.866 1.00 1.13 O ATOM 157 CB ALA A 12 0.288 11.843 0.220 1.00 45.03 C ATOM 0 H ALA A 12 0.797 13.122 -1.891 1.00 32.53 H new ATOM 0 HA ALA A 12 2.446 11.860 0.185 1.00 21.53 H new ATOM 0 HB1 ALA A 12 0.224 10.986 0.891 1.00 45.03 H new ATOM 0 HB2 ALA A 12 0.221 12.764 0.799 1.00 45.03 H new ATOM 0 HB3 ALA A 12 -0.532 11.804 -0.497 1.00 45.03 H new ATOM 163 N ARG A 13 1.094 10.284 -2.401 1.00 51.03 N ATOM 164 CA ARG A 13 1.288 9.254 -3.435 1.00 22.42 C ATOM 165 C ARG A 13 1.328 7.786 -2.972 1.00 63.20 C ATOM 166 O ARG A 13 1.663 6.911 -3.772 1.00 41.14 O ATOM 167 CB ARG A 13 2.521 9.649 -4.284 1.00 34.54 C ATOM 168 CG ARG A 13 2.112 10.140 -5.675 1.00 23.44 C ATOM 169 CD ARG A 13 3.331 10.637 -6.459 1.00 51.00 C ATOM 170 NE ARG A 13 2.976 11.012 -7.843 1.00 31.35 N ATOM 171 CZ ARG A 13 2.735 12.240 -8.322 1.00 74.50 C ATOM 172 NH1 ARG A 13 2.806 13.302 -7.529 1.00 21.12 N ATOM 173 NH2 ARG A 13 2.404 12.392 -9.601 1.00 72.40 N ATOM 0 H ARG A 13 0.297 10.882 -2.619 1.00 51.03 H new ATOM 0 HA ARG A 13 0.378 9.252 -4.034 1.00 22.42 H new ATOM 0 HB2 ARG A 13 3.081 10.431 -3.771 1.00 34.54 H new ATOM 0 HB3 ARG A 13 3.187 8.791 -4.381 1.00 34.54 H new ATOM 0 HG2 ARG A 13 1.627 9.332 -6.222 1.00 23.44 H new ATOM 0 HG3 ARG A 13 1.382 10.944 -5.581 1.00 23.44 H new ATOM 0 HD2 ARG A 13 3.765 11.497 -5.949 1.00 51.00 H new ATOM 0 HD3 ARG A 13 4.094 9.859 -6.477 1.00 51.00 H new ATOM 0 HE ARG A 13 2.906 10.246 -8.513 1.00 31.35 H new ATOM 0 HH11 ARG A 13 3.046 13.188 -6.544 1.00 21.12 H new ATOM 0 HH12 ARG A 13 2.621 14.232 -7.904 1.00 21.12 H new ATOM 0 HH21 ARG A 13 2.335 11.577 -10.210 1.00 72.40 H new ATOM 0 HH22 ARG A 13 2.219 13.324 -9.973 1.00 72.40 H new ATOM 184 N THR A 14 0.993 7.479 -1.723 1.00 70.24 N ATOM 185 CA THR A 14 1.305 6.198 -1.095 1.00 5.04 C ATOM 186 C THR A 14 0.018 5.384 -0.876 1.00 50.23 C ATOM 187 O THR A 14 -1.056 5.968 -0.730 1.00 33.15 O ATOM 188 CB THR A 14 2.091 6.510 0.193 1.00 11.41 C ATOM 189 OG1 THR A 14 3.285 7.210 -0.124 1.00 65.32 O ATOM 190 CG2 THR A 14 2.531 5.286 0.988 1.00 52.00 C ATOM 0 H THR A 14 0.491 8.121 -1.110 1.00 70.24 H new ATOM 0 HA THR A 14 1.927 5.564 -1.727 1.00 5.04 H new ATOM 0 HB THR A 14 1.393 7.088 0.799 1.00 11.41 H new ATOM 0 HG1 THR A 14 3.121 8.175 -0.075 1.00 65.32 H new ATOM 0 HG21 THR A 14 3.076 5.606 1.876 1.00 52.00 H new ATOM 0 HG22 THR A 14 1.654 4.712 1.288 1.00 52.00 H new ATOM 0 HG23 THR A 14 3.178 4.664 0.370 1.00 52.00 H new ATOM 198 N VAL A 15 0.121 4.048 -0.829 1.00 12.34 N ATOM 199 CA VAL A 15 -0.983 3.113 -0.566 1.00 32.14 C ATOM 200 C VAL A 15 -0.575 2.125 0.542 1.00 4.35 C ATOM 201 O VAL A 15 0.586 1.729 0.600 1.00 32.15 O ATOM 202 CB VAL A 15 -1.445 2.428 -1.878 1.00 44.20 C ATOM 203 CG1 VAL A 15 -2.161 3.445 -2.765 1.00 25.32 C ATOM 204 CG2 VAL A 15 -0.340 1.742 -2.702 1.00 2.53 C ATOM 0 H VAL A 15 1.010 3.570 -0.979 1.00 12.34 H new ATOM 0 HA VAL A 15 -1.853 3.656 -0.196 1.00 32.14 H new ATOM 0 HB VAL A 15 -2.107 1.626 -1.551 1.00 44.20 H new ATOM 0 HG11 VAL A 15 -2.484 2.960 -3.686 1.00 25.32 H new ATOM 0 HG12 VAL A 15 -3.030 3.839 -2.238 1.00 25.32 H new ATOM 0 HG13 VAL A 15 -1.480 4.262 -3.004 1.00 25.32 H new ATOM 0 HG21 VAL A 15 -0.776 1.297 -3.596 1.00 2.53 H new ATOM 0 HG22 VAL A 15 0.409 2.479 -2.992 1.00 2.53 H new ATOM 0 HG23 VAL A 15 0.131 0.963 -2.102 1.00 2.53 H new ATOM 214 N PHE A 16 -1.495 1.761 1.444 1.00 10.21 N ATOM 215 CA PHE A 16 -1.293 1.064 2.715 1.00 20.41 C ATOM 216 C PHE A 16 -1.961 -0.308 2.695 1.00 2.51 C ATOM 217 O PHE A 16 -3.192 -0.382 2.688 1.00 74.01 O ATOM 218 CB PHE A 16 -1.912 1.885 3.864 1.00 41.50 C ATOM 219 CG PHE A 16 -1.971 1.188 5.221 1.00 31.02 C ATOM 220 CD1 PHE A 16 -0.891 0.414 5.682 1.00 0.42 C ATOM 221 CD2 PHE A 16 -3.105 1.315 6.047 1.00 73.02 C ATOM 222 CE1 PHE A 16 -0.941 -0.219 6.933 1.00 13.51 C ATOM 223 CE2 PHE A 16 -3.154 0.691 7.305 1.00 24.25 C ATOM 224 CZ PHE A 16 -2.068 -0.073 7.755 1.00 42.51 C ATOM 0 H PHE A 16 -2.482 1.965 1.288 1.00 10.21 H new ATOM 0 HA PHE A 16 -0.220 0.944 2.865 1.00 20.41 H new ATOM 0 HB2 PHE A 16 -1.342 2.807 3.975 1.00 41.50 H new ATOM 0 HB3 PHE A 16 -2.925 2.169 3.578 1.00 41.50 H new ATOM 0 HD1 PHE A 16 -0.011 0.305 5.065 1.00 0.42 H new ATOM 0 HD2 PHE A 16 -3.948 1.900 5.709 1.00 73.02 H new ATOM 0 HE1 PHE A 16 -0.108 -0.821 7.265 1.00 13.51 H new ATOM 0 HE2 PHE A 16 -4.030 0.800 7.927 1.00 24.25 H new ATOM 0 HZ PHE A 16 -2.099 -0.545 8.726 1.00 42.51 H new ATOM 233 N CYS A 17 -1.172 -1.382 2.755 1.00 51.51 N ATOM 234 CA CYS A 17 -1.680 -2.731 2.961 1.00 40.32 C ATOM 235 C CYS A 17 -1.867 -2.981 4.452 1.00 20.11 C ATOM 236 O CYS A 17 -0.905 -2.825 5.217 1.00 13.32 O ATOM 237 CB CYS A 17 -0.749 -3.800 2.393 1.00 74.12 C ATOM 238 SG CYS A 17 -1.698 -5.354 2.312 1.00 12.23 S ATOM 0 H CYS A 17 -0.157 -1.336 2.661 1.00 51.51 H new ATOM 0 HA CYS A 17 -2.630 -2.802 2.432 1.00 40.32 H new ATOM 0 HB2 CYS A 17 -0.394 -3.514 1.403 1.00 74.12 H new ATOM 0 HB3 CYS A 17 0.131 -3.919 3.025 1.00 74.12 H new ATOM 0 HG CYS A 17 -1.260 -6.079 1.325 1.00 12.23 H new ATOM 243 N MET A 18 -3.039 -3.484 4.852 1.00 22.00 N ATOM 244 CA MET A 18 -3.339 -3.862 6.232 1.00 35.22 C ATOM 245 C MET A 18 -3.882 -5.299 6.323 1.00 32.33 C ATOM 246 O MET A 18 -4.924 -5.552 6.925 1.00 75.42 O ATOM 247 CB MET A 18 -4.276 -2.804 6.841 1.00 20.41 C ATOM 248 CG MET A 18 -4.238 -2.803 8.379 1.00 40.10 C ATOM 249 SD MET A 18 -5.716 -3.457 9.199 1.00 74.04 S ATOM 250 CE MET A 18 -6.826 -2.055 8.929 1.00 15.25 C ATOM 0 H MET A 18 -3.818 -3.642 4.213 1.00 22.00 H new ATOM 0 HA MET A 18 -2.424 -3.877 6.824 1.00 35.22 H new ATOM 0 HB2 MET A 18 -3.994 -1.818 6.473 1.00 20.41 H new ATOM 0 HB3 MET A 18 -5.296 -2.990 6.506 1.00 20.41 H new ATOM 0 HG2 MET A 18 -3.376 -3.386 8.704 1.00 40.10 H new ATOM 0 HG3 MET A 18 -4.078 -1.780 8.720 1.00 40.10 H new ATOM 0 HE1 MET A 18 -7.799 -2.272 9.369 1.00 15.25 H new ATOM 0 HE2 MET A 18 -6.407 -1.164 9.396 1.00 15.25 H new ATOM 0 HE3 MET A 18 -6.942 -1.883 7.859 1.00 15.25 H new ATOM 258 N GLN A 19 -3.207 -6.255 5.679 1.00 34.12 N ATOM 259 CA GLN A 19 -3.600 -7.663 5.701 1.00 71.14 C ATOM 260 C GLN A 19 -2.436 -8.622 5.378 1.00 0.40 C ATOM 261 O GLN A 19 -2.663 -9.803 5.111 1.00 40.44 O ATOM 262 CB GLN A 19 -4.770 -7.819 4.717 1.00 72.41 C ATOM 263 CG GLN A 19 -5.610 -9.078 4.952 1.00 34.12 C ATOM 264 CD GLN A 19 -7.032 -8.906 4.435 1.00 60.43 C ATOM 265 OE1 GLN A 19 -7.208 -8.466 3.202 1.00 32.42 O flip ATOM 266 NE2 GLN A 19 -7.995 -9.155 5.153 1.00 73.02 N flip ATOM 0 H GLN A 19 -2.370 -6.072 5.126 1.00 34.12 H new ATOM 0 HA GLN A 19 -3.906 -7.943 6.709 1.00 71.14 H new ATOM 0 HB2 GLN A 19 -5.415 -6.944 4.792 1.00 72.41 H new ATOM 0 HB3 GLN A 19 -4.378 -7.840 3.700 1.00 72.41 H new ATOM 0 HG2 GLN A 19 -5.141 -9.927 4.455 1.00 34.12 H new ATOM 0 HG3 GLN A 19 -5.634 -9.306 6.018 1.00 34.12 H new ATOM 0 HE21 GLN A 19 -7.848 -9.494 6.104 1.00 73.02 H new ATOM 0 HE22 GLN A 19 -8.943 -9.023 4.799 1.00 73.02 H new ATOM 273 N LEU A 20 -1.190 -8.138 5.338 1.00 41.32 N ATOM 274 CA LEU A 20 -0.057 -8.910 4.833 1.00 11.14 C ATOM 275 C LEU A 20 0.284 -10.113 5.699 1.00 60.01 C ATOM 276 O LEU A 20 -0.167 -10.245 6.840 1.00 73.01 O ATOM 277 CB LEU A 20 1.197 -8.024 4.714 1.00 32.04 C ATOM 278 CG LEU A 20 1.099 -6.937 3.642 1.00 44.25 C ATOM 279 CD1 LEU A 20 2.379 -6.105 3.687 1.00 72.43 C ATOM 280 CD2 LEU A 20 0.879 -7.535 2.249 1.00 62.12 C ATOM 0 H LEU A 20 -0.942 -7.201 5.655 1.00 41.32 H new ATOM 0 HA LEU A 20 -0.365 -9.276 3.853 1.00 11.14 H new ATOM 0 HB2 LEU A 20 1.387 -7.552 5.678 1.00 32.04 H new ATOM 0 HB3 LEU A 20 2.056 -8.658 4.495 1.00 32.04 H new ATOM 0 HG LEU A 20 0.236 -6.304 3.846 1.00 44.25 H new ATOM 0 HD11 LEU A 20 2.331 -5.322 2.930 1.00 72.43 H new ATOM 0 HD12 LEU A 20 2.483 -5.651 4.672 1.00 72.43 H new ATOM 0 HD13 LEU A 20 3.238 -6.747 3.491 1.00 72.43 H new ATOM 0 HD21 LEU A 20 0.814 -6.732 1.514 1.00 62.12 H new ATOM 0 HD22 LEU A 20 1.713 -8.190 1.998 1.00 62.12 H new ATOM 0 HD23 LEU A 20 -0.048 -8.109 2.242 1.00 62.12 H new ATOM 291 N ALA A 21 1.149 -10.963 5.140 1.00 22.30 N ATOM 292 CA ALA A 21 1.429 -12.295 5.626 1.00 62.43 C ATOM 293 C ALA A 21 2.899 -12.514 5.964 1.00 41.24 C ATOM 294 O ALA A 21 3.783 -11.712 5.642 1.00 54.11 O ATOM 295 CB ALA A 21 0.997 -13.292 4.560 1.00 70.42 C ATOM 0 H ALA A 21 1.687 -10.724 4.307 1.00 22.30 H new ATOM 0 HA ALA A 21 0.875 -12.435 6.554 1.00 62.43 H new ATOM 0 HB1 ALA A 21 1.200 -14.305 4.906 1.00 70.42 H new ATOM 0 HB2 ALA A 21 -0.070 -13.180 4.369 1.00 70.42 H new ATOM 0 HB3 ALA A 21 1.552 -13.105 3.641 1.00 70.42 H new ATOM 301 N ALA A 22 3.140 -13.660 6.595 1.00 44.55 N ATOM 302 CA ALA A 22 4.331 -13.968 7.360 1.00 61.12 C ATOM 303 C ALA A 22 5.606 -14.175 6.529 1.00 31.13 C ATOM 304 O ALA A 22 6.698 -14.237 7.112 1.00 22.13 O ATOM 305 CB ALA A 22 4.045 -15.203 8.202 1.00 22.00 C ATOM 0 H ALA A 22 2.474 -14.432 6.582 1.00 44.55 H new ATOM 0 HA ALA A 22 4.545 -13.094 7.975 1.00 61.12 H new ATOM 0 HB1 ALA A 22 4.928 -15.456 8.789 1.00 22.00 H new ATOM 0 HB2 ALA A 22 3.210 -15.001 8.873 1.00 22.00 H new ATOM 0 HB3 ALA A 22 3.792 -16.038 7.549 1.00 22.00 H new ATOM 311 N ARG A 23 5.509 -14.313 5.202 1.00 54.52 N ATOM 312 CA ARG A 23 6.662 -14.502 4.313 1.00 52.52 C ATOM 313 C ARG A 23 6.565 -13.605 3.081 1.00 43.14 C ATOM 314 O ARG A 23 7.051 -13.976 2.010 1.00 11.30 O ATOM 315 CB ARG A 23 6.887 -15.997 3.998 1.00 71.05 C ATOM 316 CG ARG A 23 7.248 -16.783 5.271 1.00 43.44 C ATOM 317 CD ARG A 23 7.859 -18.155 4.984 1.00 50.32 C ATOM 318 NE ARG A 23 8.125 -18.869 6.244 1.00 14.21 N ATOM 319 CZ ARG A 23 7.406 -19.862 6.791 1.00 10.53 C ATOM 320 NH1 ARG A 23 6.396 -20.434 6.141 1.00 71.44 N ATOM 321 NH2 ARG A 23 7.691 -20.259 8.020 1.00 70.04 N ATOM 0 H ARG A 23 4.616 -14.296 4.709 1.00 54.52 H new ATOM 0 HA ARG A 23 7.564 -14.179 4.833 1.00 52.52 H new ATOM 0 HB2 ARG A 23 5.986 -16.417 3.551 1.00 71.05 H new ATOM 0 HB3 ARG A 23 7.686 -16.101 3.264 1.00 71.05 H new ATOM 0 HG2 ARG A 23 7.951 -16.197 5.864 1.00 43.44 H new ATOM 0 HG3 ARG A 23 6.351 -16.912 5.876 1.00 43.44 H new ATOM 0 HD2 ARG A 23 7.181 -18.740 4.363 1.00 50.32 H new ATOM 0 HD3 ARG A 23 8.785 -18.038 4.422 1.00 50.32 H new ATOM 0 HE ARG A 23 8.953 -18.575 6.762 1.00 14.21 H new ATOM 0 HH11 ARG A 23 6.151 -20.120 5.202 1.00 71.44 H new ATOM 0 HH12 ARG A 23 5.867 -21.187 6.582 1.00 71.44 H new ATOM 0 HH21 ARG A 23 8.448 -19.812 8.538 1.00 70.04 H new ATOM 0 HH22 ARG A 23 7.154 -21.012 8.450 1.00 70.04 H new ATOM 332 N ILE A 24 5.948 -12.429 3.212 1.00 24.11 N ATOM 333 CA ILE A 24 5.917 -11.458 2.129 1.00 41.11 C ATOM 334 C ILE A 24 7.356 -10.985 1.817 1.00 13.44 C ATOM 335 O ILE A 24 8.282 -11.185 2.612 1.00 43.45 O ATOM 336 CB ILE A 24 4.911 -10.337 2.475 1.00 4.22 C ATOM 337 CG1 ILE A 24 4.479 -9.508 1.248 1.00 3.32 C ATOM 338 CG2 ILE A 24 5.424 -9.405 3.587 1.00 11.34 C ATOM 339 CD1 ILE A 24 3.716 -10.314 0.189 1.00 3.41 C ATOM 0 H ILE A 24 5.465 -12.131 4.059 1.00 24.11 H new ATOM 0 HA ILE A 24 5.553 -11.898 1.201 1.00 41.11 H new ATOM 0 HB ILE A 24 4.030 -10.860 2.846 1.00 4.22 H new ATOM 0 HG12 ILE A 24 3.852 -8.682 1.583 1.00 3.32 H new ATOM 0 HG13 ILE A 24 5.365 -9.070 0.788 1.00 3.32 H new ATOM 0 HG21 ILE A 24 4.678 -8.636 3.790 1.00 11.34 H new ATOM 0 HG22 ILE A 24 5.604 -9.984 4.493 1.00 11.34 H new ATOM 0 HG23 ILE A 24 6.353 -8.934 3.267 1.00 11.34 H new ATOM 0 HD11 ILE A 24 3.447 -9.661 -0.641 1.00 3.41 H new ATOM 0 HD12 ILE A 24 4.347 -11.124 -0.176 1.00 3.41 H new ATOM 0 HD13 ILE A 24 2.811 -10.730 0.631 1.00 3.41 H new ATOM 350 N ARG A 25 7.555 -10.337 0.670 1.00 62.32 N ATOM 351 CA ARG A 25 8.822 -9.741 0.232 1.00 21.42 C ATOM 352 C ARG A 25 8.606 -8.253 -0.037 1.00 34.31 C ATOM 353 O ARG A 25 7.467 -7.891 -0.321 1.00 72.24 O ATOM 354 CB ARG A 25 9.276 -10.428 -1.068 1.00 11.23 C ATOM 355 CG ARG A 25 9.879 -11.800 -0.778 1.00 4.54 C ATOM 356 CD ARG A 25 10.198 -12.549 -2.073 1.00 14.30 C ATOM 357 NE ARG A 25 10.754 -13.875 -1.773 1.00 3.50 N ATOM 358 CZ ARG A 25 12.014 -14.150 -1.425 1.00 11.30 C ATOM 359 NH1 ARG A 25 12.905 -13.178 -1.261 1.00 10.33 N ATOM 360 NH2 ARG A 25 12.399 -15.403 -1.235 1.00 12.50 N ATOM 0 H ARG A 25 6.807 -10.206 -0.011 1.00 62.32 H new ATOM 0 HA ARG A 25 9.581 -9.871 1.004 1.00 21.42 H new ATOM 0 HB2 ARG A 25 8.427 -10.535 -1.743 1.00 11.23 H new ATOM 0 HB3 ARG A 25 10.011 -9.804 -1.576 1.00 11.23 H new ATOM 0 HG2 ARG A 25 10.789 -11.683 -0.189 1.00 4.54 H new ATOM 0 HG3 ARG A 25 9.183 -12.386 -0.178 1.00 4.54 H new ATOM 0 HD2 ARG A 25 9.294 -12.654 -2.672 1.00 14.30 H new ATOM 0 HD3 ARG A 25 10.909 -11.975 -2.667 1.00 14.30 H new ATOM 0 HE ARG A 25 10.113 -14.666 -1.837 1.00 3.50 H new ATOM 0 HH11 ARG A 25 12.631 -12.206 -1.401 1.00 10.33 H new ATOM 0 HH12 ARG A 25 13.863 -13.404 -0.995 1.00 10.33 H new ATOM 0 HH21 ARG A 25 11.732 -16.165 -1.354 1.00 12.50 H new ATOM 0 HH22 ARG A 25 13.363 -15.606 -0.969 1.00 12.50 H new ATOM 371 N PRO A 26 9.669 -7.429 -0.092 1.00 12.13 N ATOM 372 CA PRO A 26 9.572 -6.085 -0.644 1.00 65.14 C ATOM 373 C PRO A 26 9.050 -6.158 -2.076 1.00 62.24 C ATOM 374 O PRO A 26 8.019 -5.566 -2.374 1.00 74.01 O ATOM 375 CB PRO A 26 10.980 -5.479 -0.552 1.00 72.34 C ATOM 376 CG PRO A 26 11.898 -6.698 -0.476 1.00 13.44 C ATOM 377 CD PRO A 26 11.048 -7.726 0.272 1.00 72.41 C ATOM 0 HA PRO A 26 8.870 -5.455 -0.098 1.00 65.14 H new ATOM 0 HB2 PRO A 26 11.207 -4.861 -1.421 1.00 72.34 H new ATOM 0 HB3 PRO A 26 11.085 -4.844 0.327 1.00 72.34 H new ATOM 0 HG2 PRO A 26 12.180 -7.053 -1.467 1.00 13.44 H new ATOM 0 HG3 PRO A 26 12.822 -6.474 0.057 1.00 13.44 H new ATOM 0 HD2 PRO A 26 11.319 -8.742 -0.014 1.00 72.41 H new ATOM 0 HD3 PRO A 26 11.195 -7.648 1.349 1.00 72.41 H new ATOM 382 N ARG A 27 9.713 -6.950 -2.932 1.00 25.44 N ATOM 383 CA ARG A 27 9.385 -7.044 -4.346 1.00 11.30 C ATOM 384 C ARG A 27 7.919 -7.415 -4.570 1.00 41.25 C ATOM 385 O ARG A 27 7.304 -6.851 -5.463 1.00 24.40 O ATOM 386 CB ARG A 27 10.320 -8.036 -5.055 1.00 41.25 C ATOM 387 CG ARG A 27 10.354 -7.804 -6.578 1.00 72.13 C ATOM 388 CD ARG A 27 11.348 -6.708 -6.986 1.00 1.43 C ATOM 389 NE ARG A 27 12.717 -7.247 -7.044 1.00 4.11 N ATOM 390 CZ ARG A 27 13.791 -6.915 -6.321 1.00 24.14 C ATOM 391 NH1 ARG A 27 13.746 -5.978 -5.383 1.00 43.51 N ATOM 392 NH2 ARG A 27 14.923 -7.568 -6.538 1.00 74.14 N ATOM 0 H ARG A 27 10.495 -7.543 -2.652 1.00 25.44 H new ATOM 0 HA ARG A 27 9.535 -6.057 -4.783 1.00 11.30 H new ATOM 0 HB2 ARG A 27 11.327 -7.938 -4.650 1.00 41.25 H new ATOM 0 HB3 ARG A 27 9.991 -9.055 -4.850 1.00 41.25 H new ATOM 0 HG2 ARG A 27 10.620 -8.735 -7.078 1.00 72.13 H new ATOM 0 HG3 ARG A 27 9.357 -7.531 -6.923 1.00 72.13 H new ATOM 0 HD2 ARG A 27 11.070 -6.301 -7.958 1.00 1.43 H new ATOM 0 HD3 ARG A 27 11.305 -5.886 -6.272 1.00 1.43 H new ATOM 0 HE ARG A 27 12.868 -7.980 -7.737 1.00 4.11 H new ATOM 0 HH11 ARG A 27 12.872 -5.486 -5.195 1.00 43.51 H new ATOM 0 HH12 ARG A 27 14.585 -5.750 -4.850 1.00 43.51 H new ATOM 0 HH21 ARG A 27 14.960 -8.304 -7.243 1.00 74.14 H new ATOM 0 HH22 ARG A 27 15.758 -7.335 -6.000 1.00 74.14 H new ATOM 403 N ASP A 28 7.333 -8.306 -3.764 1.00 30.14 N ATOM 404 CA ASP A 28 5.931 -8.701 -3.950 1.00 43.45 C ATOM 405 C ASP A 28 4.994 -7.500 -3.837 1.00 53.24 C ATOM 406 O ASP A 28 3.961 -7.453 -4.499 1.00 14.12 O ATOM 407 CB ASP A 28 5.484 -9.748 -2.917 1.00 42.42 C ATOM 408 CG ASP A 28 5.625 -11.177 -3.422 1.00 54.54 C ATOM 409 OD1 ASP A 28 5.030 -11.540 -4.460 1.00 13.24 O ATOM 410 OD2 ASP A 28 6.218 -12.020 -2.702 1.00 14.24 O ATOM 0 H ASP A 28 7.802 -8.765 -2.983 1.00 30.14 H new ATOM 0 HA ASP A 28 5.873 -9.130 -4.950 1.00 43.45 H new ATOM 0 HB2 ASP A 28 6.074 -9.629 -2.008 1.00 42.42 H new ATOM 0 HB3 ASP A 28 4.444 -9.564 -2.648 1.00 42.42 H new ATOM 414 N LEU A 29 5.329 -6.538 -2.977 1.00 4.41 N ATOM 415 CA LEU A 29 4.466 -5.407 -2.661 1.00 12.54 C ATOM 416 C LEU A 29 4.522 -4.320 -3.727 1.00 2.34 C ATOM 417 O LEU A 29 3.684 -3.418 -3.702 1.00 53.22 O ATOM 418 CB LEU A 29 4.855 -4.832 -1.296 1.00 34.30 C ATOM 419 CG LEU A 29 4.676 -5.838 -0.149 1.00 4.31 C ATOM 420 CD1 LEU A 29 5.156 -5.228 1.165 1.00 45.15 C ATOM 421 CD2 LEU A 29 3.221 -6.281 -0.014 1.00 31.20 C ATOM 0 H LEU A 29 6.218 -6.525 -2.476 1.00 4.41 H new ATOM 0 HA LEU A 29 3.439 -5.771 -2.632 1.00 12.54 H new ATOM 0 HB2 LEU A 29 5.895 -4.507 -1.328 1.00 34.30 H new ATOM 0 HB3 LEU A 29 4.250 -3.948 -1.094 1.00 34.30 H new ATOM 0 HG LEU A 29 5.276 -6.717 -0.382 1.00 4.31 H new ATOM 0 HD11 LEU A 29 5.024 -5.950 1.971 1.00 45.15 H new ATOM 0 HD12 LEU A 29 6.211 -4.966 1.081 1.00 45.15 H new ATOM 0 HD13 LEU A 29 4.576 -4.331 1.383 1.00 45.15 H new ATOM 0 HD21 LEU A 29 3.132 -6.992 0.807 1.00 31.20 H new ATOM 0 HD22 LEU A 29 2.594 -5.413 0.188 1.00 31.20 H new ATOM 0 HD23 LEU A 29 2.897 -6.754 -0.941 1.00 31.20 H new ATOM 432 N GLU A 30 5.458 -4.413 -4.663 1.00 25.33 N ATOM 433 CA GLU A 30 5.567 -3.524 -5.805 1.00 2.21 C ATOM 434 C GLU A 30 5.182 -4.275 -7.086 1.00 32.20 C ATOM 435 O GLU A 30 4.558 -3.688 -7.973 1.00 31.13 O ATOM 436 CB GLU A 30 6.952 -2.844 -5.844 1.00 1.20 C ATOM 437 CG GLU A 30 8.108 -3.582 -5.179 1.00 24.22 C ATOM 438 CD GLU A 30 9.452 -2.903 -5.415 1.00 74.12 C ATOM 439 OE1 GLU A 30 10.094 -3.211 -6.446 1.00 74.05 O ATOM 440 OE2 GLU A 30 9.923 -2.147 -4.538 1.00 32.02 O ATOM 0 H GLU A 30 6.182 -5.131 -4.645 1.00 25.33 H new ATOM 0 HA GLU A 30 4.857 -2.702 -5.714 1.00 2.21 H new ATOM 0 HB2 GLU A 30 7.216 -2.673 -6.888 1.00 1.20 H new ATOM 0 HB3 GLU A 30 6.861 -1.865 -5.374 1.00 1.20 H new ATOM 0 HG2 GLU A 30 7.922 -3.649 -4.107 1.00 24.22 H new ATOM 0 HG3 GLU A 30 8.149 -4.603 -5.560 1.00 24.22 H new ATOM 445 N GLU A 31 5.444 -5.583 -7.148 1.00 54.55 N ATOM 446 CA GLU A 31 5.060 -6.473 -8.235 1.00 44.22 C ATOM 447 C GLU A 31 3.560 -6.722 -8.281 1.00 3.23 C ATOM 448 O GLU A 31 3.012 -6.938 -9.360 1.00 24.40 O ATOM 449 CB GLU A 31 5.772 -7.825 -8.094 1.00 32.12 C ATOM 450 CG GLU A 31 7.152 -7.797 -8.750 1.00 11.50 C ATOM 451 CD GLU A 31 6.993 -7.962 -10.257 1.00 54.54 C ATOM 452 OE1 GLU A 31 6.902 -9.126 -10.713 1.00 44.51 O ATOM 453 OE2 GLU A 31 6.847 -6.946 -10.977 1.00 50.43 O ATOM 0 H GLU A 31 5.952 -6.067 -6.407 1.00 54.55 H new ATOM 0 HA GLU A 31 5.356 -5.977 -9.159 1.00 44.22 H new ATOM 0 HB2 GLU A 31 5.874 -8.076 -7.038 1.00 32.12 H new ATOM 0 HB3 GLU A 31 5.166 -8.607 -8.551 1.00 32.12 H new ATOM 0 HG2 GLU A 31 7.655 -6.857 -8.526 1.00 11.50 H new ATOM 0 HG3 GLU A 31 7.775 -8.596 -8.348 1.00 11.50 H new ATOM 458 N PHE A 32 2.862 -6.706 -7.146 1.00 71.15 N ATOM 459 CA PHE A 32 1.408 -6.842 -7.164 1.00 62.01 C ATOM 460 C PHE A 32 0.741 -5.688 -7.917 1.00 23.20 C ATOM 461 O PHE A 32 -0.357 -5.839 -8.452 1.00 11.52 O ATOM 462 CB PHE A 32 0.869 -6.921 -5.741 1.00 41.22 C ATOM 463 CG PHE A 32 -0.572 -7.373 -5.711 1.00 13.42 C ATOM 464 CD1 PHE A 32 -0.913 -8.638 -6.229 1.00 3.23 C ATOM 465 CD2 PHE A 32 -1.573 -6.536 -5.189 1.00 42.13 C ATOM 466 CE1 PHE A 32 -2.234 -9.100 -6.157 1.00 51.54 C ATOM 467 CE2 PHE A 32 -2.898 -6.993 -5.130 1.00 32.03 C ATOM 468 CZ PHE A 32 -3.222 -8.284 -5.583 1.00 64.41 C ATOM 0 H PHE A 32 3.272 -6.602 -6.218 1.00 71.15 H new ATOM 0 HA PHE A 32 1.169 -7.765 -7.692 1.00 62.01 H new ATOM 0 HB2 PHE A 32 1.479 -7.612 -5.159 1.00 41.22 H new ATOM 0 HB3 PHE A 32 0.953 -5.944 -5.266 1.00 41.22 H new ATOM 0 HD1 PHE A 32 -0.152 -9.255 -6.684 1.00 3.23 H new ATOM 0 HD2 PHE A 32 -1.324 -5.547 -4.835 1.00 42.13 H new ATOM 0 HE1 PHE A 32 -2.490 -10.077 -6.540 1.00 51.54 H new ATOM 0 HE2 PHE A 32 -3.672 -6.351 -4.735 1.00 32.03 H new ATOM 0 HZ PHE A 32 -4.234 -8.649 -5.489 1.00 64.41 H new ATOM 477 N PHE A 33 1.414 -4.535 -7.960 1.00 14.14 N ATOM 478 CA PHE A 33 0.927 -3.348 -8.636 1.00 14.53 C ATOM 479 C PHE A 33 1.641 -3.094 -9.975 1.00 14.30 C ATOM 480 O PHE A 33 1.170 -2.253 -10.740 1.00 31.14 O ATOM 481 CB PHE A 33 1.079 -2.126 -7.723 1.00 34.31 C ATOM 482 CG PHE A 33 0.474 -2.147 -6.316 1.00 32.44 C ATOM 483 CD1 PHE A 33 -0.825 -2.638 -6.065 1.00 73.01 C ATOM 484 CD2 PHE A 33 1.172 -1.529 -5.256 1.00 2.41 C ATOM 485 CE1 PHE A 33 -1.381 -2.566 -4.774 1.00 54.12 C ATOM 486 CE2 PHE A 33 0.592 -1.413 -3.982 1.00 13.32 C ATOM 487 CZ PHE A 33 -0.684 -1.938 -3.735 1.00 13.30 C ATOM 0 H PHE A 33 2.324 -4.407 -7.518 1.00 14.14 H new ATOM 0 HA PHE A 33 -0.126 -3.516 -8.860 1.00 14.53 H new ATOM 0 HB2 PHE A 33 2.146 -1.931 -7.615 1.00 34.31 H new ATOM 0 HB3 PHE A 33 0.651 -1.272 -8.248 1.00 34.31 H new ATOM 0 HD1 PHE A 33 -1.398 -3.073 -6.871 1.00 73.01 H new ATOM 0 HD2 PHE A 33 2.165 -1.140 -5.427 1.00 2.41 H new ATOM 0 HE1 PHE A 33 -2.352 -2.998 -4.584 1.00 54.12 H new ATOM 0 HE2 PHE A 33 1.132 -0.917 -3.189 1.00 13.32 H new ATOM 0 HZ PHE A 33 -1.125 -1.859 -2.752 1.00 13.30 H new ATOM 496 N SER A 34 2.756 -3.772 -10.299 1.00 73.23 N ATOM 497 CA SER A 34 3.483 -3.553 -11.559 1.00 43.11 C ATOM 498 C SER A 34 2.636 -3.902 -12.779 1.00 73.14 C ATOM 499 O SER A 34 2.900 -3.437 -13.889 1.00 63.23 O ATOM 500 CB SER A 34 4.819 -4.307 -11.573 1.00 64.25 C ATOM 501 OG SER A 34 4.634 -5.708 -11.555 1.00 61.45 O ATOM 0 H SER A 34 3.175 -4.482 -9.699 1.00 73.23 H new ATOM 0 HA SER A 34 3.702 -2.487 -11.618 1.00 43.11 H new ATOM 0 HB2 SER A 34 5.385 -4.027 -12.462 1.00 64.25 H new ATOM 0 HB3 SER A 34 5.413 -4.008 -10.710 1.00 64.25 H new ATOM 0 HG SER A 34 5.499 -6.154 -11.673 1.00 61.45 H new ATOM 506 N THR A 35 1.591 -4.696 -12.574 1.00 32.04 N ATOM 507 CA THR A 35 0.709 -5.184 -13.612 1.00 5.43 C ATOM 508 C THR A 35 -0.059 -4.027 -14.268 1.00 72.13 C ATOM 509 O THR A 35 -0.466 -4.134 -15.428 1.00 14.32 O ATOM 510 CB THR A 35 -0.186 -6.287 -13.003 1.00 1.44 C ATOM 511 OG1 THR A 35 -1.162 -5.808 -12.103 1.00 54.51 O ATOM 512 CG2 THR A 35 0.672 -7.279 -12.203 1.00 63.03 C ATOM 0 H THR A 35 1.331 -5.026 -11.645 1.00 32.04 H new ATOM 0 HA THR A 35 1.271 -5.635 -14.430 1.00 5.43 H new ATOM 0 HB THR A 35 -0.685 -6.743 -13.858 1.00 1.44 H new ATOM 0 HG1 THR A 35 -1.689 -6.560 -11.761 1.00 54.51 H new ATOM 0 HG21 THR A 35 0.033 -8.053 -11.778 1.00 63.03 H new ATOM 0 HG22 THR A 35 1.408 -7.739 -12.863 1.00 63.03 H new ATOM 0 HG23 THR A 35 1.185 -6.751 -11.400 1.00 63.03 H new ATOM 520 N VAL A 36 -0.216 -2.906 -13.553 1.00 54.31 N ATOM 521 CA VAL A 36 -1.137 -1.819 -13.869 1.00 73.44 C ATOM 522 C VAL A 36 -0.583 -0.443 -13.451 1.00 44.24 C ATOM 523 O VAL A 36 -1.311 0.551 -13.481 1.00 10.00 O ATOM 524 CB VAL A 36 -2.495 -2.128 -13.201 1.00 50.13 C ATOM 525 CG1 VAL A 36 -3.210 -3.296 -13.892 1.00 62.02 C ATOM 526 CG2 VAL A 36 -2.367 -2.424 -11.691 1.00 43.15 C ATOM 0 H VAL A 36 0.320 -2.729 -12.704 1.00 54.31 H new ATOM 0 HA VAL A 36 -1.268 -1.758 -14.949 1.00 73.44 H new ATOM 0 HB VAL A 36 -3.091 -1.223 -13.315 1.00 50.13 H new ATOM 0 HG11 VAL A 36 -4.162 -3.485 -13.395 1.00 62.02 H new ATOM 0 HG12 VAL A 36 -3.390 -3.045 -14.937 1.00 62.02 H new ATOM 0 HG13 VAL A 36 -2.587 -4.189 -13.835 1.00 62.02 H new ATOM 0 HG21 VAL A 36 -3.353 -2.634 -11.276 1.00 43.15 H new ATOM 0 HG22 VAL A 36 -1.720 -3.289 -11.543 1.00 43.15 H new ATOM 0 HG23 VAL A 36 -1.938 -1.559 -11.186 1.00 43.15 H new ATOM 536 N GLY A 37 0.685 -0.347 -13.039 1.00 51.13 N ATOM 537 CA GLY A 37 1.248 0.890 -12.524 1.00 25.42 C ATOM 538 C GLY A 37 2.736 0.750 -12.223 1.00 54.33 C ATOM 539 O GLY A 37 3.323 -0.301 -12.483 1.00 44.32 O ATOM 0 H GLY A 37 1.343 -1.126 -13.056 1.00 51.13 H new ATOM 0 HA2 GLY A 37 1.097 1.689 -13.250 1.00 25.42 H new ATOM 0 HA3 GLY A 37 0.719 1.181 -11.616 1.00 25.42 H new ATOM 543 N LYS A 38 3.362 1.815 -11.716 1.00 52.32 N ATOM 544 CA LYS A 38 4.790 1.903 -11.419 1.00 52.01 C ATOM 545 C LYS A 38 4.940 2.449 -10.007 1.00 30.33 C ATOM 546 O LYS A 38 4.216 3.365 -9.618 1.00 43.20 O ATOM 547 CB LYS A 38 5.469 2.831 -12.444 1.00 14.44 C ATOM 548 CG LYS A 38 7.000 2.841 -12.326 1.00 25.40 C ATOM 549 CD LYS A 38 7.646 3.983 -13.123 1.00 52.13 C ATOM 550 CE LYS A 38 7.371 3.908 -14.627 1.00 14.35 C ATOM 551 NZ LYS A 38 6.202 4.712 -15.047 1.00 30.32 N ATOM 0 H LYS A 38 2.863 2.676 -11.492 1.00 52.32 H new ATOM 0 HA LYS A 38 5.266 0.924 -11.484 1.00 52.01 H new ATOM 0 HB2 LYS A 38 5.190 2.517 -13.450 1.00 14.44 H new ATOM 0 HB3 LYS A 38 5.094 3.846 -12.311 1.00 14.44 H new ATOM 0 HG2 LYS A 38 7.279 2.932 -11.276 1.00 25.40 H new ATOM 0 HG3 LYS A 38 7.394 1.888 -12.679 1.00 25.40 H new ATOM 0 HD2 LYS A 38 7.278 4.935 -12.741 1.00 52.13 H new ATOM 0 HD3 LYS A 38 8.723 3.968 -12.957 1.00 52.13 H new ATOM 0 HE2 LYS A 38 8.253 4.251 -15.168 1.00 14.35 H new ATOM 0 HE3 LYS A 38 7.208 2.868 -14.909 1.00 14.35 H new ATOM 0 HZ1 LYS A 38 5.698 4.219 -15.811 1.00 30.32 H new ATOM 0 HZ2 LYS A 38 5.562 4.843 -14.238 1.00 30.32 H new ATOM 0 HZ3 LYS A 38 6.524 5.641 -15.387 1.00 30.32 H new ATOM 561 N VAL A 39 5.905 1.950 -9.252 1.00 53.02 N ATOM 562 CA VAL A 39 6.122 2.285 -7.853 1.00 65.32 C ATOM 563 C VAL A 39 7.599 2.509 -7.616 1.00 25.42 C ATOM 564 O VAL A 39 8.457 1.907 -8.264 1.00 71.41 O ATOM 565 CB VAL A 39 5.509 1.187 -6.988 1.00 53.23 C ATOM 566 CG1 VAL A 39 6.167 -0.152 -7.248 1.00 25.23 C ATOM 567 CG2 VAL A 39 5.639 1.393 -5.479 1.00 43.02 C ATOM 0 H VAL A 39 6.583 1.277 -9.609 1.00 53.02 H new ATOM 0 HA VAL A 39 5.627 3.216 -7.576 1.00 65.32 H new ATOM 0 HB VAL A 39 4.457 1.221 -7.272 1.00 53.23 H new ATOM 0 HG11 VAL A 39 5.707 -0.912 -6.616 1.00 25.23 H new ATOM 0 HG12 VAL A 39 6.037 -0.424 -8.296 1.00 25.23 H new ATOM 0 HG13 VAL A 39 7.231 -0.085 -7.020 1.00 25.23 H new ATOM 0 HG21 VAL A 39 5.172 0.558 -4.956 1.00 43.02 H new ATOM 0 HG22 VAL A 39 6.694 1.446 -5.209 1.00 43.02 H new ATOM 0 HG23 VAL A 39 5.144 2.322 -5.195 1.00 43.02 H new ATOM 577 N ARG A 40 7.863 3.441 -6.708 1.00 41.24 N ATOM 578 CA ARG A 40 9.199 3.916 -6.443 1.00 64.42 C ATOM 579 C ARG A 40 9.887 3.054 -5.401 1.00 25.25 C ATOM 580 O ARG A 40 11.039 2.694 -5.619 1.00 73.22 O ATOM 581 CB ARG A 40 9.080 5.383 -6.065 1.00 33.21 C ATOM 582 CG ARG A 40 10.411 6.033 -5.696 1.00 65.53 C ATOM 583 CD ARG A 40 10.191 7.538 -5.702 1.00 4.44 C ATOM 584 NE ARG A 40 11.456 8.270 -5.836 1.00 1.24 N ATOM 585 CZ ARG A 40 11.680 9.291 -6.670 1.00 1.33 C ATOM 586 NH1 ARG A 40 10.681 9.880 -7.325 1.00 61.41 N ATOM 587 NH2 ARG A 40 12.925 9.688 -6.866 1.00 51.02 N ATOM 0 H ARG A 40 7.145 3.886 -6.136 1.00 41.24 H new ATOM 0 HA ARG A 40 9.842 3.837 -7.320 1.00 64.42 H new ATOM 0 HB2 ARG A 40 8.638 5.929 -6.899 1.00 33.21 H new ATOM 0 HB3 ARG A 40 8.394 5.477 -5.223 1.00 33.21 H new ATOM 0 HG2 ARG A 40 10.745 5.697 -4.714 1.00 65.53 H new ATOM 0 HG3 ARG A 40 11.187 5.754 -6.409 1.00 65.53 H new ATOM 0 HD2 ARG A 40 9.527 7.806 -6.524 1.00 4.44 H new ATOM 0 HD3 ARG A 40 9.693 7.837 -4.779 1.00 4.44 H new ATOM 0 HE ARG A 40 12.231 7.975 -5.242 1.00 1.24 H new ATOM 0 HH11 ARG A 40 9.723 9.554 -7.195 1.00 61.41 H new ATOM 0 HH12 ARG A 40 10.874 10.657 -7.957 1.00 61.41 H new ATOM 0 HH21 ARG A 40 13.692 9.218 -6.385 1.00 51.02 H new ATOM 0 HH22 ARG A 40 13.119 10.465 -7.498 1.00 51.02 H new ATOM 598 N ASP A 41 9.222 2.737 -4.289 1.00 44.00 N ATOM 599 CA ASP A 41 9.770 1.855 -3.248 1.00 54.35 C ATOM 600 C ASP A 41 8.670 1.489 -2.246 1.00 62.25 C ATOM 601 O ASP A 41 7.564 2.040 -2.318 1.00 73.13 O ATOM 602 CB ASP A 41 10.952 2.530 -2.505 1.00 14.04 C ATOM 603 CG ASP A 41 12.074 1.551 -2.127 1.00 21.04 C ATOM 604 OD1 ASP A 41 12.447 0.695 -2.960 1.00 44.34 O ATOM 605 OD2 ASP A 41 12.689 1.718 -1.046 1.00 30.04 O ATOM 0 H ASP A 41 8.286 3.084 -4.081 1.00 44.00 H new ATOM 0 HA ASP A 41 10.143 0.951 -3.730 1.00 54.35 H new ATOM 0 HB2 ASP A 41 11.365 3.318 -3.135 1.00 14.04 H new ATOM 0 HB3 ASP A 41 10.577 3.008 -1.600 1.00 14.04 H new ATOM 609 N VAL A 42 8.973 0.605 -1.292 1.00 41.31 N ATOM 610 CA VAL A 42 8.047 0.138 -0.268 1.00 54.14 C ATOM 611 C VAL A 42 8.661 0.352 1.120 1.00 5.24 C ATOM 612 O VAL A 42 9.864 0.163 1.323 1.00 12.33 O ATOM 613 CB VAL A 42 7.717 -1.352 -0.521 1.00 4.10 C ATOM 614 CG1 VAL A 42 6.693 -1.853 0.509 1.00 73.15 C ATOM 615 CG2 VAL A 42 7.181 -1.599 -1.941 1.00 13.44 C ATOM 0 H VAL A 42 9.899 0.184 -1.212 1.00 41.31 H new ATOM 0 HA VAL A 42 7.118 0.706 -0.313 1.00 54.14 H new ATOM 0 HB VAL A 42 8.650 -1.906 -0.417 1.00 4.10 H new ATOM 0 HG11 VAL A 42 6.470 -2.903 0.319 1.00 73.15 H new ATOM 0 HG12 VAL A 42 7.104 -1.745 1.513 1.00 73.15 H new ATOM 0 HG13 VAL A 42 5.778 -1.267 0.427 1.00 73.15 H new ATOM 0 HG21 VAL A 42 6.964 -2.660 -2.069 1.00 13.44 H new ATOM 0 HG22 VAL A 42 6.269 -1.022 -2.091 1.00 13.44 H new ATOM 0 HG23 VAL A 42 7.929 -1.291 -2.671 1.00 13.44 H new ATOM 625 N ARG A 43 7.814 0.668 2.105 1.00 51.24 N ATOM 626 CA ARG A 43 8.146 0.784 3.518 1.00 24.30 C ATOM 627 C ARG A 43 7.338 -0.277 4.259 1.00 70.31 C ATOM 628 O ARG A 43 6.142 -0.100 4.496 1.00 13.51 O ATOM 629 CB ARG A 43 7.852 2.218 4.016 1.00 42.10 C ATOM 630 CG ARG A 43 8.866 2.683 5.071 1.00 23.05 C ATOM 631 CD ARG A 43 10.121 3.208 4.367 1.00 10.22 C ATOM 632 NE ARG A 43 11.214 3.502 5.302 1.00 23.44 N ATOM 633 CZ ARG A 43 12.146 4.454 5.160 1.00 43.10 C ATOM 634 NH1 ARG A 43 12.099 5.338 4.164 1.00 5.05 N ATOM 635 NH2 ARG A 43 13.141 4.510 6.036 1.00 25.02 N ATOM 0 H ARG A 43 6.829 0.859 1.923 1.00 51.24 H new ATOM 0 HA ARG A 43 9.207 0.613 3.700 1.00 24.30 H new ATOM 0 HB2 ARG A 43 7.869 2.905 3.170 1.00 42.10 H new ATOM 0 HB3 ARG A 43 6.848 2.256 4.438 1.00 42.10 H new ATOM 0 HG2 ARG A 43 8.429 3.465 5.693 1.00 23.05 H new ATOM 0 HG3 ARG A 43 9.125 1.857 5.733 1.00 23.05 H new ATOM 0 HD2 ARG A 43 10.460 2.471 3.639 1.00 10.22 H new ATOM 0 HD3 ARG A 43 9.870 4.112 3.812 1.00 10.22 H new ATOM 0 HE ARG A 43 11.269 2.925 6.142 1.00 23.44 H new ATOM 0 HH11 ARG A 43 11.339 5.301 3.485 1.00 5.05 H new ATOM 0 HH12 ARG A 43 12.823 6.052 4.081 1.00 5.05 H new ATOM 0 HH21 ARG A 43 13.186 3.836 6.800 1.00 25.02 H new ATOM 0 HH22 ARG A 43 13.861 5.227 5.945 1.00 25.02 H new ATOM 646 N MET A 44 7.951 -1.420 4.560 1.00 14.34 N ATOM 647 CA MET A 44 7.349 -2.423 5.434 1.00 2.12 C ATOM 648 C MET A 44 7.838 -2.159 6.852 1.00 31.13 C ATOM 649 O MET A 44 8.983 -1.745 7.049 1.00 23.04 O ATOM 650 CB MET A 44 7.757 -3.844 5.037 1.00 4.43 C ATOM 651 CG MET A 44 7.420 -4.234 3.596 1.00 54.44 C ATOM 652 SD MET A 44 8.857 -4.743 2.612 1.00 51.12 S ATOM 653 CE MET A 44 9.815 -3.205 2.584 1.00 4.41 C ATOM 0 H MET A 44 8.873 -1.675 4.207 1.00 14.34 H new ATOM 0 HA MET A 44 6.264 -2.349 5.355 1.00 2.12 H new ATOM 0 HB2 MET A 44 8.831 -3.952 5.185 1.00 4.43 H new ATOM 0 HB3 MET A 44 7.270 -4.548 5.712 1.00 4.43 H new ATOM 0 HG2 MET A 44 6.696 -5.049 3.611 1.00 54.44 H new ATOM 0 HG3 MET A 44 6.938 -3.389 3.105 1.00 54.44 H new ATOM 0 HE1 MET A 44 10.625 -3.294 1.860 1.00 4.41 H new ATOM 0 HE2 MET A 44 9.165 -2.377 2.301 1.00 4.41 H new ATOM 0 HE3 MET A 44 10.231 -3.018 3.574 1.00 4.41 H new ATOM 661 N ILE A 45 7.015 -2.485 7.844 1.00 71.45 N ATOM 662 CA ILE A 45 7.311 -2.230 9.248 1.00 12.50 C ATOM 663 C ILE A 45 7.492 -3.591 9.909 1.00 35.34 C ATOM 664 O ILE A 45 6.516 -4.262 10.245 1.00 64.01 O ATOM 665 CB ILE A 45 6.206 -1.363 9.899 1.00 0.20 C ATOM 666 CG1 ILE A 45 5.912 -0.068 9.115 1.00 33.21 C ATOM 667 CG2 ILE A 45 6.598 -0.946 11.321 1.00 11.44 C ATOM 668 CD1 ILE A 45 4.798 -0.217 8.083 1.00 14.14 C ATOM 0 H ILE A 45 6.114 -2.939 7.693 1.00 71.45 H new ATOM 0 HA ILE A 45 8.224 -1.649 9.373 1.00 12.50 H new ATOM 0 HB ILE A 45 5.317 -1.993 9.900 1.00 0.20 H new ATOM 0 HG12 ILE A 45 5.641 0.719 9.819 1.00 33.21 H new ATOM 0 HG13 ILE A 45 6.822 0.256 8.610 1.00 33.21 H new ATOM 0 HG21 ILE A 45 5.804 -0.338 11.754 1.00 11.44 H new ATOM 0 HG22 ILE A 45 6.748 -1.836 11.933 1.00 11.44 H new ATOM 0 HG23 ILE A 45 7.521 -0.367 11.289 1.00 11.44 H new ATOM 0 HD11 ILE A 45 4.647 0.733 7.571 1.00 14.14 H new ATOM 0 HD12 ILE A 45 5.075 -0.981 7.356 1.00 14.14 H new ATOM 0 HD13 ILE A 45 3.875 -0.510 8.584 1.00 14.14 H new ATOM 679 N SER A 46 8.731 -4.050 10.063 1.00 44.12 N ATOM 680 CA SER A 46 9.079 -5.255 10.807 1.00 34.00 C ATOM 681 C SER A 46 10.499 -5.055 11.326 1.00 22.31 C ATOM 682 O SER A 46 11.451 -5.119 10.554 1.00 53.13 O ATOM 683 CB SER A 46 8.933 -6.491 9.911 1.00 21.21 C ATOM 684 OG SER A 46 7.555 -6.677 9.630 1.00 44.51 O ATOM 0 H SER A 46 9.543 -3.580 9.662 1.00 44.12 H new ATOM 0 HA SER A 46 8.410 -5.425 11.651 1.00 34.00 H new ATOM 0 HB2 SER A 46 9.495 -6.358 8.986 1.00 21.21 H new ATOM 0 HB3 SER A 46 9.341 -7.371 10.408 1.00 21.21 H new ATOM 0 HG SER A 46 7.033 -5.979 10.077 1.00 44.51 H new ATOM 689 N ASP A 47 10.604 -4.668 12.601 1.00 35.10 N ATOM 690 CA ASP A 47 11.862 -4.316 13.278 1.00 75.13 C ATOM 691 C ASP A 47 11.723 -4.380 14.806 1.00 52.11 C ATOM 692 O ASP A 47 12.528 -3.808 15.537 1.00 20.22 O ATOM 693 CB ASP A 47 12.265 -2.888 12.880 1.00 2.23 C ATOM 694 CG ASP A 47 13.727 -2.545 13.162 1.00 54.33 C ATOM 695 OD1 ASP A 47 14.608 -3.380 12.851 1.00 22.20 O ATOM 696 OD2 ASP A 47 13.978 -1.375 13.550 1.00 11.21 O ATOM 0 H ASP A 47 9.791 -4.588 13.212 1.00 35.10 H new ATOM 0 HA ASP A 47 12.621 -5.036 12.972 1.00 75.13 H new ATOM 0 HB2 ASP A 47 12.071 -2.751 11.816 1.00 2.23 H new ATOM 0 HB3 ASP A 47 11.629 -2.182 13.413 1.00 2.23 H new ATOM 700 N ARG A 48 10.628 -4.966 15.304 1.00 44.53 N ATOM 701 CA ARG A 48 10.145 -4.762 16.658 1.00 61.44 C ATOM 702 C ARG A 48 10.238 -6.076 17.407 1.00 53.21 C ATOM 703 O ARG A 48 11.210 -6.286 18.128 1.00 31.22 O ATOM 704 CB ARG A 48 8.720 -4.183 16.630 1.00 54.14 C ATOM 705 CG ARG A 48 8.675 -2.673 16.304 1.00 41.11 C ATOM 706 CD ARG A 48 8.735 -2.314 14.809 1.00 31.34 C ATOM 707 NE ARG A 48 8.823 -0.857 14.580 1.00 72.24 N ATOM 708 CZ ARG A 48 9.289 -0.250 13.476 1.00 1.34 C ATOM 709 NH1 ARG A 48 9.653 -0.978 12.420 1.00 13.24 N ATOM 710 NH2 ARG A 48 9.416 1.068 13.416 1.00 2.33 N ATOM 0 H ARG A 48 10.048 -5.605 14.760 1.00 44.53 H new ATOM 0 HA ARG A 48 10.760 -4.033 17.185 1.00 61.44 H new ATOM 0 HB2 ARG A 48 8.131 -4.724 15.890 1.00 54.14 H new ATOM 0 HB3 ARG A 48 8.249 -4.352 17.598 1.00 54.14 H new ATOM 0 HG2 ARG A 48 7.759 -2.256 16.723 1.00 41.11 H new ATOM 0 HG3 ARG A 48 9.508 -2.185 16.810 1.00 41.11 H new ATOM 0 HD2 ARG A 48 9.598 -2.802 14.356 1.00 31.34 H new ATOM 0 HD3 ARG A 48 7.848 -2.704 14.309 1.00 31.34 H new ATOM 0 HE ARG A 48 8.498 -0.253 15.335 1.00 72.24 H new ATOM 0 HH11 ARG A 48 9.577 -1.995 12.451 1.00 13.24 H new ATOM 0 HH12 ARG A 48 10.007 -0.518 11.581 1.00 13.24 H new ATOM 0 HH21 ARG A 48 9.158 1.642 14.218 1.00 2.33 H new ATOM 0 HH22 ARG A 48 9.772 1.508 12.567 1.00 2.33 H new ATOM 721 N ASN A 49 9.243 -6.953 17.255 1.00 44.51 N ATOM 722 CA ASN A 49 9.179 -8.260 17.918 1.00 22.01 C ATOM 723 C ASN A 49 8.377 -9.286 17.117 1.00 54.43 C ATOM 724 O ASN A 49 8.320 -10.438 17.527 1.00 62.31 O ATOM 725 CB ASN A 49 8.554 -8.122 19.321 1.00 72.03 C ATOM 726 CG ASN A 49 9.519 -8.377 20.466 1.00 0.31 C ATOM 727 OD1 ASN A 49 9.187 -9.079 21.408 1.00 21.31 O ATOM 728 ND2 ASN A 49 10.683 -7.758 20.450 1.00 15.23 N ATOM 0 H ASN A 49 8.440 -6.771 16.653 1.00 44.51 H new ATOM 0 HA ASN A 49 10.206 -8.618 17.995 1.00 22.01 H new ATOM 0 HB2 ASN A 49 8.143 -7.118 19.425 1.00 72.03 H new ATOM 0 HB3 ASN A 49 7.719 -8.818 19.404 1.00 72.03 H new ATOM 0 HD21 ASN A 49 11.326 -7.861 21.235 1.00 15.23 H new ATOM 0 HD22 ASN A 49 10.940 -7.176 19.653 1.00 15.23 H new ATOM 734 N SER A 50 7.746 -8.901 15.999 1.00 71.21 N ATOM 735 CA SER A 50 7.194 -9.809 14.992 1.00 40.24 C ATOM 736 C SER A 50 6.352 -10.971 15.555 1.00 1.21 C ATOM 737 O SER A 50 6.470 -12.107 15.093 1.00 73.03 O ATOM 738 CB SER A 50 8.372 -10.271 14.128 1.00 43.45 C ATOM 739 OG SER A 50 8.024 -10.393 12.762 1.00 12.14 O ATOM 0 H SER A 50 7.603 -7.918 15.766 1.00 71.21 H new ATOM 0 HA SER A 50 6.458 -9.275 14.391 1.00 40.24 H new ATOM 0 HB2 SER A 50 9.193 -9.561 14.229 1.00 43.45 H new ATOM 0 HB3 SER A 50 8.734 -11.231 14.495 1.00 43.45 H new ATOM 0 HG SER A 50 8.806 -10.688 12.250 1.00 12.14 H new ATOM 744 N ARG A 51 5.523 -10.691 16.566 1.00 53.25 N ATOM 745 CA ARG A 51 4.573 -11.616 17.197 1.00 11.11 C ATOM 746 C ARG A 51 3.360 -10.835 17.717 1.00 52.42 C ATOM 747 O ARG A 51 2.783 -11.180 18.750 1.00 51.12 O ATOM 748 CB ARG A 51 5.261 -12.397 18.344 1.00 75.41 C ATOM 749 CG ARG A 51 6.315 -13.430 17.920 1.00 3.21 C ATOM 750 CD ARG A 51 5.708 -14.543 17.056 1.00 64.44 C ATOM 751 NE ARG A 51 6.701 -15.569 16.717 1.00 43.44 N ATOM 752 CZ ARG A 51 6.443 -16.736 16.123 1.00 71.15 C ATOM 753 NH1 ARG A 51 5.242 -17.003 15.634 1.00 53.21 N ATOM 754 NH2 ARG A 51 7.392 -17.651 16.018 1.00 55.52 N ATOM 0 H ARG A 51 5.494 -9.764 16.989 1.00 53.25 H new ATOM 0 HA ARG A 51 4.231 -12.339 16.457 1.00 11.11 H new ATOM 0 HB2 ARG A 51 5.735 -11.678 19.013 1.00 75.41 H new ATOM 0 HB3 ARG A 51 4.491 -12.909 18.921 1.00 75.41 H new ATOM 0 HG2 ARG A 51 7.109 -12.931 17.365 1.00 3.21 H new ATOM 0 HG3 ARG A 51 6.772 -13.868 18.807 1.00 3.21 H new ATOM 0 HD2 ARG A 51 4.876 -15.004 17.588 1.00 64.44 H new ATOM 0 HD3 ARG A 51 5.302 -14.113 16.140 1.00 64.44 H new ATOM 0 HE ARG A 51 7.673 -15.373 16.956 1.00 43.44 H new ATOM 0 HH11 ARG A 51 4.496 -16.311 15.708 1.00 53.21 H new ATOM 0 HH12 ARG A 51 5.063 -17.900 15.183 1.00 53.21 H new ATOM 0 HH21 ARG A 51 8.323 -17.465 16.391 1.00 55.52 H new ATOM 0 HH22 ARG A 51 7.193 -18.542 15.564 1.00 55.52 H new ATOM 765 N ARG A 52 3.038 -9.689 17.108 1.00 51.25 N ATOM 766 CA ARG A 52 2.039 -8.757 17.620 1.00 35.34 C ATOM 767 C ARG A 52 1.121 -8.372 16.468 1.00 20.13 C ATOM 768 O ARG A 52 0.093 -9.022 16.304 1.00 4.14 O ATOM 769 CB ARG A 52 2.680 -7.545 18.313 1.00 12.53 C ATOM 770 CG ARG A 52 3.754 -7.833 19.377 1.00 4.43 C ATOM 771 CD ARG A 52 5.125 -7.229 19.032 1.00 63.05 C ATOM 772 NE ARG A 52 5.493 -6.123 19.934 1.00 20.31 N ATOM 773 CZ ARG A 52 6.011 -6.240 21.166 1.00 23.00 C ATOM 774 NH1 ARG A 52 6.296 -7.432 21.674 1.00 35.30 N ATOM 775 NH2 ARG A 52 6.243 -5.160 21.896 1.00 54.51 N ATOM 0 H ARG A 52 3.471 -9.383 16.237 1.00 51.25 H new ATOM 0 HA ARG A 52 1.446 -9.236 18.400 1.00 35.34 H new ATOM 0 HB2 ARG A 52 3.126 -6.913 17.545 1.00 12.53 H new ATOM 0 HB3 ARG A 52 1.886 -6.965 18.782 1.00 12.53 H new ATOM 0 HG2 ARG A 52 3.421 -7.437 20.337 1.00 4.43 H new ATOM 0 HG3 ARG A 52 3.859 -8.911 19.496 1.00 4.43 H new ATOM 0 HD2 ARG A 52 5.886 -8.007 19.086 1.00 63.05 H new ATOM 0 HD3 ARG A 52 5.112 -6.867 18.004 1.00 63.05 H new ATOM 0 HE ARG A 52 5.339 -5.176 19.588 1.00 20.31 H new ATOM 0 HH11 ARG A 52 6.122 -8.275 21.126 1.00 35.30 H new ATOM 0 HH12 ARG A 52 6.690 -7.506 22.612 1.00 35.30 H new ATOM 0 HH21 ARG A 52 6.028 -4.236 21.522 1.00 54.51 H new ATOM 0 HH22 ARG A 52 6.637 -5.252 22.832 1.00 54.51 H new ATOM 786 N SER A 53 1.482 -7.374 15.658 1.00 74.02 N ATOM 787 CA SER A 53 0.728 -6.913 14.506 1.00 32.00 C ATOM 788 C SER A 53 1.683 -6.381 13.435 1.00 15.44 C ATOM 789 O SER A 53 1.487 -5.296 12.886 1.00 60.32 O ATOM 790 CB SER A 53 -0.278 -5.868 14.941 1.00 15.24 C ATOM 791 OG SER A 53 -1.214 -6.367 15.889 1.00 20.30 O ATOM 0 H SER A 53 2.344 -6.848 15.799 1.00 74.02 H new ATOM 0 HA SER A 53 0.176 -7.744 14.067 1.00 32.00 H new ATOM 0 HB2 SER A 53 0.251 -5.018 15.372 1.00 15.24 H new ATOM 0 HB3 SER A 53 -0.814 -5.500 14.066 1.00 15.24 H new ATOM 0 HG SER A 53 -1.839 -5.654 16.138 1.00 20.30 H new ATOM 796 N LYS A 54 2.732 -7.140 13.111 1.00 54.44 N ATOM 797 CA LYS A 54 3.693 -6.736 12.077 1.00 31.30 C ATOM 798 C LYS A 54 3.114 -6.606 10.666 1.00 73.22 C ATOM 799 O LYS A 54 3.855 -6.202 9.770 1.00 1.24 O ATOM 800 CB LYS A 54 4.984 -7.570 12.104 1.00 61.35 C ATOM 801 CG LYS A 54 4.685 -9.035 11.823 1.00 60.34 C ATOM 802 CD LYS A 54 5.308 -9.647 10.560 1.00 0.33 C ATOM 803 CE LYS A 54 4.646 -9.137 9.274 1.00 61.25 C ATOM 804 NZ LYS A 54 5.501 -8.230 8.484 1.00 55.32 N ATOM 0 H LYS A 54 2.939 -8.038 13.548 1.00 54.44 H new ATOM 0 HA LYS A 54 3.961 -5.717 12.355 1.00 31.30 H new ATOM 0 HB2 LYS A 54 5.685 -7.188 11.362 1.00 61.35 H new ATOM 0 HB3 LYS A 54 5.465 -7.472 13.077 1.00 61.35 H new ATOM 0 HG2 LYS A 54 5.018 -9.619 12.681 1.00 60.34 H new ATOM 0 HG3 LYS A 54 3.603 -9.153 11.758 1.00 60.34 H new ATOM 0 HD2 LYS A 54 6.373 -9.414 10.534 1.00 0.33 H new ATOM 0 HD3 LYS A 54 5.220 -10.733 10.605 1.00 0.33 H new ATOM 0 HE2 LYS A 54 4.369 -9.991 8.656 1.00 61.25 H new ATOM 0 HE3 LYS A 54 3.723 -8.618 9.533 1.00 61.25 H new ATOM 0 HZ1 LYS A 54 4.911 -7.502 8.033 1.00 55.32 H new ATOM 0 HZ2 LYS A 54 6.195 -7.774 9.110 1.00 55.32 H new ATOM 0 HZ3 LYS A 54 6.000 -8.774 7.751 1.00 55.32 H new ATOM 814 N GLY A 55 1.860 -6.989 10.422 1.00 20.32 N ATOM 815 CA GLY A 55 1.331 -7.136 9.070 1.00 24.14 C ATOM 816 C GLY A 55 0.888 -5.793 8.524 1.00 60.33 C ATOM 817 O GLY A 55 -0.309 -5.516 8.501 1.00 55.24 O ATOM 0 H GLY A 55 1.186 -7.205 11.156 1.00 20.32 H new ATOM 0 HA2 GLY A 55 2.093 -7.566 8.420 1.00 24.14 H new ATOM 0 HA3 GLY A 55 0.489 -7.828 9.076 1.00 24.14 H new ATOM 821 N ILE A 56 1.833 -4.956 8.092 1.00 61.15 N ATOM 822 CA ILE A 56 1.610 -3.585 7.630 1.00 40.21 C ATOM 823 C ILE A 56 2.732 -3.194 6.649 1.00 42.52 C ATOM 824 O ILE A 56 3.910 -3.506 6.888 1.00 31.02 O ATOM 825 CB ILE A 56 1.484 -2.619 8.844 1.00 62.25 C ATOM 826 CG1 ILE A 56 2.442 -2.977 10.005 1.00 54.15 C ATOM 827 CG2 ILE A 56 0.034 -2.592 9.371 1.00 40.11 C ATOM 828 CD1 ILE A 56 2.424 -1.998 11.183 1.00 72.01 C ATOM 0 H ILE A 56 2.816 -5.226 8.053 1.00 61.15 H new ATOM 0 HA ILE A 56 0.667 -3.512 7.089 1.00 40.21 H new ATOM 0 HB ILE A 56 1.767 -1.633 8.475 1.00 62.25 H new ATOM 0 HG12 ILE A 56 2.187 -3.971 10.374 1.00 54.15 H new ATOM 0 HG13 ILE A 56 3.458 -3.033 9.614 1.00 54.15 H new ATOM 0 HG21 ILE A 56 -0.032 -1.911 10.219 1.00 40.11 H new ATOM 0 HG22 ILE A 56 -0.634 -2.252 8.580 1.00 40.11 H new ATOM 0 HG23 ILE A 56 -0.257 -3.594 9.687 1.00 40.11 H new ATOM 0 HD11 ILE A 56 3.127 -2.333 11.946 1.00 72.01 H new ATOM 0 HD12 ILE A 56 2.711 -1.006 10.836 1.00 72.01 H new ATOM 0 HD13 ILE A 56 1.421 -1.958 11.607 1.00 72.01 H new ATOM 839 N ALA A 57 2.384 -2.537 5.531 1.00 71.23 N ATOM 840 CA ALA A 57 3.332 -1.896 4.614 1.00 5.41 C ATOM 841 C ALA A 57 2.664 -0.727 3.885 1.00 73.02 C ATOM 842 O ALA A 57 1.470 -0.803 3.610 1.00 34.31 O ATOM 843 CB ALA A 57 3.799 -2.894 3.552 1.00 54.12 C ATOM 0 H ALA A 57 1.413 -2.436 5.235 1.00 71.23 H new ATOM 0 HA ALA A 57 4.176 -1.542 5.206 1.00 5.41 H new ATOM 0 HB1 ALA A 57 4.502 -2.405 2.878 1.00 54.12 H new ATOM 0 HB2 ALA A 57 4.288 -3.739 4.037 1.00 54.12 H new ATOM 0 HB3 ALA A 57 2.939 -3.250 2.984 1.00 54.12 H new ATOM 849 N TYR A 58 3.433 0.290 3.496 1.00 65.40 N ATOM 850 CA TYR A 58 2.979 1.462 2.744 1.00 12.15 C ATOM 851 C TYR A 58 3.909 1.592 1.536 1.00 5.53 C ATOM 852 O TYR A 58 5.119 1.389 1.662 1.00 24.22 O ATOM 853 CB TYR A 58 3.032 2.738 3.603 1.00 73.03 C ATOM 854 CG TYR A 58 2.241 2.692 4.895 1.00 54.14 C ATOM 855 CD1 TYR A 58 2.731 1.942 5.972 1.00 11.55 C ATOM 856 CD2 TYR A 58 1.027 3.391 5.031 1.00 3.44 C ATOM 857 CE1 TYR A 58 1.995 1.832 7.160 1.00 24.31 C ATOM 858 CE2 TYR A 58 0.284 3.301 6.223 1.00 42.52 C ATOM 859 CZ TYR A 58 0.765 2.510 7.292 1.00 73.02 C ATOM 860 OH TYR A 58 0.061 2.419 8.451 1.00 52.43 O ATOM 0 H TYR A 58 4.431 0.322 3.704 1.00 65.40 H new ATOM 0 HA TYR A 58 1.941 1.338 2.436 1.00 12.15 H new ATOM 0 HB2 TYR A 58 4.074 2.949 3.843 1.00 73.03 H new ATOM 0 HB3 TYR A 58 2.667 3.573 3.004 1.00 73.03 H new ATOM 0 HD1 TYR A 58 3.685 1.444 5.886 1.00 11.55 H new ATOM 0 HD2 TYR A 58 0.664 4.000 4.216 1.00 3.44 H new ATOM 0 HE1 TYR A 58 2.369 1.229 7.974 1.00 24.31 H new ATOM 0 HE2 TYR A 58 -0.650 3.834 6.321 1.00 42.52 H new ATOM 0 HH TYR A 58 -0.566 1.668 8.395 1.00 52.43 H new ATOM 869 N VAL A 59 3.361 1.904 0.369 1.00 31.32 N ATOM 870 CA VAL A 59 3.978 1.691 -0.929 1.00 54.14 C ATOM 871 C VAL A 59 3.922 3.003 -1.706 1.00 54.43 C ATOM 872 O VAL A 59 2.830 3.471 -2.025 1.00 22.34 O ATOM 873 CB VAL A 59 3.215 0.547 -1.627 1.00 64.03 C ATOM 874 CG1 VAL A 59 3.742 0.342 -3.038 1.00 13.20 C ATOM 875 CG2 VAL A 59 3.314 -0.796 -0.893 1.00 63.05 C ATOM 0 H VAL A 59 2.437 2.330 0.301 1.00 31.32 H new ATOM 0 HA VAL A 59 5.026 1.401 -0.854 1.00 54.14 H new ATOM 0 HB VAL A 59 2.170 0.857 -1.630 1.00 64.03 H new ATOM 0 HG11 VAL A 59 3.193 -0.469 -3.517 1.00 13.20 H new ATOM 0 HG12 VAL A 59 3.610 1.259 -3.613 1.00 13.20 H new ATOM 0 HG13 VAL A 59 4.801 0.089 -2.998 1.00 13.20 H new ATOM 0 HG21 VAL A 59 2.753 -1.553 -1.442 1.00 63.05 H new ATOM 0 HG22 VAL A 59 4.359 -1.097 -0.825 1.00 63.05 H new ATOM 0 HG23 VAL A 59 2.900 -0.694 0.110 1.00 63.05 H new ATOM 885 N GLU A 60 5.074 3.624 -1.968 1.00 12.43 N ATOM 886 CA GLU A 60 5.150 4.941 -2.585 1.00 33.53 C ATOM 887 C GLU A 60 5.101 4.808 -4.113 1.00 61.30 C ATOM 888 O GLU A 60 6.120 4.808 -4.809 1.00 50.22 O ATOM 889 CB GLU A 60 6.402 5.683 -2.098 1.00 32.52 C ATOM 890 CG GLU A 60 6.329 7.178 -2.463 1.00 14.42 C ATOM 891 CD GLU A 60 7.684 7.887 -2.387 1.00 45.40 C ATOM 892 OE1 GLU A 60 8.644 7.346 -1.792 1.00 1.25 O ATOM 893 OE2 GLU A 60 7.798 9.007 -2.946 1.00 3.33 O ATOM 0 H GLU A 60 5.986 3.220 -1.754 1.00 12.43 H new ATOM 0 HA GLU A 60 4.289 5.538 -2.285 1.00 33.53 H new ATOM 0 HB2 GLU A 60 6.499 5.572 -1.018 1.00 32.52 H new ATOM 0 HB3 GLU A 60 7.291 5.238 -2.545 1.00 32.52 H new ATOM 0 HG2 GLU A 60 5.930 7.279 -3.472 1.00 14.42 H new ATOM 0 HG3 GLU A 60 5.629 7.675 -1.792 1.00 14.42 H new ATOM 898 N PHE A 61 3.900 4.665 -4.657 1.00 52.04 N ATOM 899 CA PHE A 61 3.626 4.694 -6.082 1.00 64.50 C ATOM 900 C PHE A 61 4.187 5.919 -6.792 1.00 13.33 C ATOM 901 O PHE A 61 4.250 7.017 -6.236 1.00 3.23 O ATOM 902 CB PHE A 61 2.124 4.684 -6.294 1.00 2.05 C ATOM 903 CG PHE A 61 1.671 3.588 -7.212 1.00 32.23 C ATOM 904 CD1 PHE A 61 1.399 2.328 -6.665 1.00 73.42 C ATOM 905 CD2 PHE A 61 1.493 3.817 -8.586 1.00 13.45 C ATOM 906 CE1 PHE A 61 0.926 1.307 -7.493 1.00 65.51 C ATOM 907 CE2 PHE A 61 1.058 2.775 -9.420 1.00 62.30 C ATOM 908 CZ PHE A 61 0.764 1.515 -8.872 1.00 51.43 C ATOM 0 H PHE A 61 3.061 4.521 -4.095 1.00 52.04 H new ATOM 0 HA PHE A 61 4.114 3.817 -6.506 1.00 64.50 H new ATOM 0 HB2 PHE A 61 1.627 4.572 -5.330 1.00 2.05 H new ATOM 0 HB3 PHE A 61 1.814 5.645 -6.703 1.00 2.05 H new ATOM 0 HD1 PHE A 61 1.554 2.147 -5.612 1.00 73.42 H new ATOM 0 HD2 PHE A 61 1.691 4.794 -9.001 1.00 13.45 H new ATOM 0 HE1 PHE A 61 0.682 0.345 -7.067 1.00 65.51 H new ATOM 0 HE2 PHE A 61 0.949 2.942 -10.482 1.00 62.30 H new ATOM 0 HZ PHE A 61 0.416 0.713 -9.506 1.00 51.43 H new ATOM 917 N VAL A 62 4.525 5.744 -8.068 1.00 4.35 N ATOM 918 CA VAL A 62 5.070 6.820 -8.883 1.00 34.14 C ATOM 919 C VAL A 62 3.946 7.779 -9.311 1.00 42.22 C ATOM 920 O VAL A 62 4.228 8.954 -9.561 1.00 61.30 O ATOM 921 CB VAL A 62 5.872 6.249 -10.078 1.00 24.32 C ATOM 922 CG1 VAL A 62 6.321 7.336 -11.060 1.00 44.44 C ATOM 923 CG2 VAL A 62 7.127 5.535 -9.564 1.00 45.33 C ATOM 0 H VAL A 62 4.428 4.856 -8.561 1.00 4.35 H new ATOM 0 HA VAL A 62 5.777 7.403 -8.293 1.00 34.14 H new ATOM 0 HB VAL A 62 5.206 5.562 -10.601 1.00 24.32 H new ATOM 0 HG11 VAL A 62 6.879 6.880 -11.878 1.00 44.44 H new ATOM 0 HG12 VAL A 62 5.446 7.849 -11.459 1.00 44.44 H new ATOM 0 HG13 VAL A 62 6.958 8.053 -10.542 1.00 44.44 H new ATOM 0 HG21 VAL A 62 7.689 5.134 -10.408 1.00 45.33 H new ATOM 0 HG22 VAL A 62 7.750 6.243 -9.016 1.00 45.33 H new ATOM 0 HG23 VAL A 62 6.836 4.720 -8.902 1.00 45.33 H new ATOM 933 N ASP A 63 2.670 7.360 -9.368 1.00 70.33 N ATOM 934 CA ASP A 63 1.568 8.289 -9.628 1.00 65.13 C ATOM 935 C ASP A 63 0.412 8.124 -8.667 1.00 34.11 C ATOM 936 O ASP A 63 0.038 7.009 -8.306 1.00 52.10 O ATOM 937 CB ASP A 63 0.998 8.237 -11.053 1.00 1.24 C ATOM 938 CG ASP A 63 0.219 9.532 -11.340 1.00 50.30 C ATOM 939 OD1 ASP A 63 0.612 10.597 -10.804 1.00 25.31 O ATOM 940 OD2 ASP A 63 -0.838 9.480 -12.002 1.00 33.43 O ATOM 0 H ASP A 63 2.382 6.390 -9.238 1.00 70.33 H new ATOM 0 HA ASP A 63 2.046 9.258 -9.485 1.00 65.13 H new ATOM 0 HB2 ASP A 63 1.806 8.118 -11.775 1.00 1.24 H new ATOM 0 HB3 ASP A 63 0.342 7.373 -11.163 1.00 1.24 H new ATOM 944 N VAL A 64 -0.188 9.260 -8.332 1.00 33.42 N ATOM 945 CA VAL A 64 -1.353 9.367 -7.484 1.00 21.43 C ATOM 946 C VAL A 64 -2.587 8.760 -8.154 1.00 62.30 C ATOM 947 O VAL A 64 -3.442 8.216 -7.467 1.00 44.10 O ATOM 948 CB VAL A 64 -1.540 10.850 -7.133 1.00 52.10 C ATOM 949 CG1 VAL A 64 -2.028 11.703 -8.317 1.00 32.21 C ATOM 950 CG2 VAL A 64 -2.471 11.010 -5.944 1.00 30.55 C ATOM 0 H VAL A 64 0.144 10.166 -8.662 1.00 33.42 H new ATOM 0 HA VAL A 64 -1.212 8.796 -6.566 1.00 21.43 H new ATOM 0 HB VAL A 64 -0.551 11.225 -6.870 1.00 52.10 H new ATOM 0 HG11 VAL A 64 -2.138 12.739 -7.998 1.00 32.21 H new ATOM 0 HG12 VAL A 64 -1.302 11.649 -9.128 1.00 32.21 H new ATOM 0 HG13 VAL A 64 -2.990 11.326 -8.665 1.00 32.21 H new ATOM 0 HG21 VAL A 64 -2.588 12.069 -5.714 1.00 30.55 H new ATOM 0 HG22 VAL A 64 -3.444 10.581 -6.183 1.00 30.55 H new ATOM 0 HG23 VAL A 64 -2.050 10.495 -5.080 1.00 30.55 H new ATOM 960 N SER A 65 -2.690 8.792 -9.488 1.00 24.23 N ATOM 961 CA SER A 65 -3.905 8.330 -10.158 1.00 70.51 C ATOM 962 C SER A 65 -4.105 6.819 -9.970 1.00 12.11 C ATOM 963 O SER A 65 -5.211 6.305 -10.176 1.00 11.01 O ATOM 964 CB SER A 65 -3.876 8.724 -11.636 1.00 70.43 C ATOM 965 OG SER A 65 -3.383 10.041 -11.796 1.00 50.14 O ATOM 0 H SER A 65 -1.958 9.128 -10.114 1.00 24.23 H new ATOM 0 HA SER A 65 -4.763 8.820 -9.698 1.00 70.51 H new ATOM 0 HB2 SER A 65 -3.249 8.026 -12.191 1.00 70.43 H new ATOM 0 HB3 SER A 65 -4.880 8.653 -12.056 1.00 70.43 H new ATOM 0 HG SER A 65 -2.441 10.007 -12.063 1.00 50.14 H new ATOM 970 N SER A 66 -3.059 6.099 -9.547 1.00 12.41 N ATOM 971 CA SER A 66 -3.159 4.702 -9.164 1.00 74.31 C ATOM 972 C SER A 66 -3.516 4.470 -7.683 1.00 31.52 C ATOM 973 O SER A 66 -3.786 3.325 -7.329 1.00 62.44 O ATOM 974 CB SER A 66 -1.852 4.008 -9.535 1.00 21.52 C ATOM 975 OG SER A 66 -1.558 4.250 -10.907 1.00 62.21 O ATOM 0 H SER A 66 -2.117 6.480 -9.463 1.00 12.41 H new ATOM 0 HA SER A 66 -3.997 4.271 -9.712 1.00 74.31 H new ATOM 0 HB2 SER A 66 -1.041 4.378 -8.908 1.00 21.52 H new ATOM 0 HB3 SER A 66 -1.933 2.936 -9.353 1.00 21.52 H new ATOM 0 HG SER A 66 -0.637 3.976 -11.097 1.00 62.21 H new ATOM 980 N VAL A 67 -3.585 5.480 -6.806 1.00 45.04 N ATOM 981 CA VAL A 67 -4.062 5.315 -5.422 1.00 44.42 C ATOM 982 C VAL A 67 -5.453 4.651 -5.424 1.00 71.53 C ATOM 983 O VAL A 67 -5.577 3.546 -4.890 1.00 14.33 O ATOM 984 CB VAL A 67 -3.963 6.645 -4.629 1.00 64.43 C ATOM 985 CG1 VAL A 67 -4.629 6.553 -3.249 1.00 12.45 C ATOM 986 CG2 VAL A 67 -2.490 7.056 -4.433 1.00 61.41 C ATOM 0 H VAL A 67 -3.312 6.436 -7.034 1.00 45.04 H new ATOM 0 HA VAL A 67 -3.409 4.633 -4.877 1.00 44.42 H new ATOM 0 HB VAL A 67 -4.490 7.393 -5.221 1.00 64.43 H new ATOM 0 HG11 VAL A 67 -4.533 7.509 -2.734 1.00 12.45 H new ATOM 0 HG12 VAL A 67 -5.685 6.311 -3.370 1.00 12.45 H new ATOM 0 HG13 VAL A 67 -4.143 5.774 -2.662 1.00 12.45 H new ATOM 0 HG21 VAL A 67 -2.444 7.991 -3.875 1.00 61.41 H new ATOM 0 HG22 VAL A 67 -1.965 6.277 -3.880 1.00 61.41 H new ATOM 0 HG23 VAL A 67 -2.017 7.191 -5.406 1.00 61.41 H new ATOM 996 N PRO A 68 -6.478 5.205 -6.100 1.00 12.25 N ATOM 997 CA PRO A 68 -7.781 4.552 -6.192 1.00 41.23 C ATOM 998 C PRO A 68 -7.785 3.263 -7.025 1.00 12.05 C ATOM 999 O PRO A 68 -8.818 2.598 -7.102 1.00 63.51 O ATOM 1000 CB PRO A 68 -8.726 5.599 -6.785 1.00 42.34 C ATOM 1001 CG PRO A 68 -7.798 6.521 -7.569 1.00 1.24 C ATOM 1002 CD PRO A 68 -6.534 6.521 -6.721 1.00 12.15 C ATOM 0 HA PRO A 68 -8.092 4.219 -5.202 1.00 41.23 H new ATOM 0 HB2 PRO A 68 -9.475 5.142 -7.431 1.00 42.34 H new ATOM 0 HB3 PRO A 68 -9.264 6.140 -6.006 1.00 42.34 H new ATOM 0 HG2 PRO A 68 -7.611 6.147 -8.575 1.00 1.24 H new ATOM 0 HG3 PRO A 68 -8.216 7.522 -7.674 1.00 1.24 H new ATOM 0 HD2 PRO A 68 -5.651 6.703 -7.334 1.00 12.15 H new ATOM 0 HD3 PRO A 68 -6.567 7.308 -5.968 1.00 12.15 H new ATOM 1007 N LEU A 69 -6.696 2.891 -7.699 1.00 1.01 N ATOM 1008 CA LEU A 69 -6.579 1.586 -8.352 1.00 23.24 C ATOM 1009 C LEU A 69 -6.536 0.511 -7.270 1.00 65.22 C ATOM 1010 O LEU A 69 -7.338 -0.420 -7.291 1.00 2.15 O ATOM 1011 CB LEU A 69 -5.317 1.523 -9.224 1.00 43.24 C ATOM 1012 CG LEU A 69 -5.367 0.526 -10.385 1.00 72.53 C ATOM 1013 CD1 LEU A 69 -4.019 0.616 -11.093 1.00 73.51 C ATOM 1014 CD2 LEU A 69 -5.617 -0.917 -9.950 1.00 61.32 C ATOM 0 H LEU A 69 -5.873 3.483 -7.808 1.00 1.01 H new ATOM 0 HA LEU A 69 -7.436 1.424 -9.005 1.00 23.24 H new ATOM 0 HB2 LEU A 69 -5.127 2.517 -9.629 1.00 43.24 H new ATOM 0 HB3 LEU A 69 -4.469 1.271 -8.587 1.00 43.24 H new ATOM 0 HG LEU A 69 -6.206 0.787 -11.030 1.00 72.53 H new ATOM 0 HD11 LEU A 69 -4.002 -0.078 -11.933 1.00 73.51 H new ATOM 0 HD12 LEU A 69 -3.867 1.632 -11.459 1.00 73.51 H new ATOM 0 HD13 LEU A 69 -3.223 0.359 -10.394 1.00 73.51 H new ATOM 0 HD21 LEU A 69 -5.639 -1.563 -10.828 1.00 61.32 H new ATOM 0 HD22 LEU A 69 -4.818 -1.239 -9.282 1.00 61.32 H new ATOM 0 HD23 LEU A 69 -6.573 -0.980 -9.429 1.00 61.32 H new ATOM 1025 N ALA A 70 -5.629 0.670 -6.300 1.00 30.12 N ATOM 1026 CA ALA A 70 -5.364 -0.326 -5.273 1.00 54.41 C ATOM 1027 C ALA A 70 -6.594 -0.621 -4.409 1.00 34.34 C ATOM 1028 O ALA A 70 -6.705 -1.710 -3.838 1.00 70.41 O ATOM 1029 CB ALA A 70 -4.177 0.120 -4.419 1.00 74.13 C ATOM 0 H ALA A 70 -5.054 1.508 -6.211 1.00 30.12 H new ATOM 0 HA ALA A 70 -5.115 -1.263 -5.771 1.00 54.41 H new ATOM 0 HB1 ALA A 70 -3.980 -0.628 -3.650 1.00 74.13 H new ATOM 0 HB2 ALA A 70 -3.296 0.231 -5.051 1.00 74.13 H new ATOM 0 HB3 ALA A 70 -4.407 1.075 -3.946 1.00 74.13 H new ATOM 1035 N ILE A 71 -7.537 0.316 -4.332 1.00 2.31 N ATOM 1036 CA ILE A 71 -8.821 0.154 -3.663 1.00 4.32 C ATOM 1037 C ILE A 71 -9.619 -0.965 -4.345 1.00 14.22 C ATOM 1038 O ILE A 71 -10.124 -1.866 -3.673 1.00 1.24 O ATOM 1039 CB ILE A 71 -9.539 1.524 -3.637 1.00 3.53 C ATOM 1040 CG1 ILE A 71 -8.696 2.469 -2.748 1.00 25.04 C ATOM 1041 CG2 ILE A 71 -10.984 1.400 -3.133 1.00 3.34 C ATOM 1042 CD1 ILE A 71 -9.253 3.885 -2.563 1.00 62.10 C ATOM 0 H ILE A 71 -7.422 1.240 -4.749 1.00 2.31 H new ATOM 0 HA ILE A 71 -8.701 -0.159 -2.626 1.00 4.32 H new ATOM 0 HB ILE A 71 -9.616 1.929 -4.646 1.00 3.53 H new ATOM 0 HG12 ILE A 71 -8.587 2.011 -1.765 1.00 25.04 H new ATOM 0 HG13 ILE A 71 -7.697 2.545 -3.177 1.00 25.04 H new ATOM 0 HG21 ILE A 71 -11.454 2.384 -3.130 1.00 3.34 H new ATOM 0 HG22 ILE A 71 -11.543 0.733 -3.790 1.00 3.34 H new ATOM 0 HG23 ILE A 71 -10.983 0.995 -2.121 1.00 3.34 H new ATOM 0 HD11 ILE A 71 -8.583 4.459 -1.923 1.00 62.10 H new ATOM 0 HD12 ILE A 71 -9.335 4.374 -3.534 1.00 62.10 H new ATOM 0 HD13 ILE A 71 -10.238 3.831 -2.100 1.00 62.10 H new ATOM 1053 N GLY A 72 -9.668 -0.972 -5.676 1.00 11.34 N ATOM 1054 CA GLY A 72 -10.338 -1.999 -6.458 1.00 13.25 C ATOM 1055 C GLY A 72 -9.612 -3.342 -6.437 1.00 4.42 C ATOM 1056 O GLY A 72 -10.099 -4.290 -7.045 1.00 4.34 O ATOM 0 H GLY A 72 -9.233 -0.248 -6.248 1.00 11.34 H new ATOM 0 HA2 GLY A 72 -11.350 -2.135 -6.076 1.00 13.25 H new ATOM 0 HA3 GLY A 72 -10.429 -1.659 -7.490 1.00 13.25 H new ATOM 1060 N LEU A 73 -8.447 -3.449 -5.780 1.00 3.24 N ATOM 1061 CA LEU A 73 -7.709 -4.703 -5.609 1.00 65.24 C ATOM 1062 C LEU A 73 -8.048 -5.371 -4.265 1.00 71.42 C ATOM 1063 O LEU A 73 -7.462 -6.404 -3.948 1.00 61.31 O ATOM 1064 CB LEU A 73 -6.181 -4.494 -5.739 1.00 12.24 C ATOM 1065 CG LEU A 73 -5.703 -3.723 -6.987 1.00 53.34 C ATOM 1066 CD1 LEU A 73 -4.189 -3.522 -6.922 1.00 51.51 C ATOM 1067 CD2 LEU A 73 -6.014 -4.406 -8.314 1.00 42.12 C ATOM 0 H LEU A 73 -7.986 -2.650 -5.346 1.00 3.24 H new ATOM 0 HA LEU A 73 -8.024 -5.368 -6.413 1.00 65.24 H new ATOM 0 HB2 LEU A 73 -5.831 -3.963 -4.854 1.00 12.24 H new ATOM 0 HB3 LEU A 73 -5.700 -5.472 -5.735 1.00 12.24 H new ATOM 0 HG LEU A 73 -6.252 -2.782 -6.965 1.00 53.34 H new ATOM 0 HD11 LEU A 73 -3.856 -2.977 -7.805 1.00 51.51 H new ATOM 0 HD12 LEU A 73 -3.936 -2.953 -6.028 1.00 51.51 H new ATOM 0 HD13 LEU A 73 -3.694 -4.493 -6.887 1.00 51.51 H new ATOM 0 HD21 LEU A 73 -5.642 -3.793 -9.135 1.00 42.12 H new ATOM 0 HD22 LEU A 73 -5.531 -5.383 -8.343 1.00 42.12 H new ATOM 0 HD23 LEU A 73 -7.092 -4.531 -8.415 1.00 42.12 H new ATOM 1078 N THR A 74 -8.967 -4.813 -3.462 1.00 53.44 N ATOM 1079 CA THR A 74 -9.355 -5.348 -2.152 1.00 30.44 C ATOM 1080 C THR A 74 -9.859 -6.810 -2.212 1.00 52.52 C ATOM 1081 O THR A 74 -9.852 -7.526 -1.208 1.00 62.35 O ATOM 1082 CB THR A 74 -10.365 -4.386 -1.501 1.00 61.22 C ATOM 1083 OG1 THR A 74 -10.458 -4.620 -0.111 1.00 43.53 O ATOM 1084 CG2 THR A 74 -11.763 -4.425 -2.135 1.00 11.12 C ATOM 0 H THR A 74 -9.470 -3.961 -3.712 1.00 53.44 H new ATOM 0 HA THR A 74 -8.467 -5.404 -1.522 1.00 30.44 H new ATOM 0 HB THR A 74 -9.973 -3.385 -1.683 1.00 61.22 H new ATOM 0 HG1 THR A 74 -9.649 -5.079 0.198 1.00 43.53 H new ATOM 0 HG21 THR A 74 -12.416 -3.720 -1.621 1.00 11.12 H new ATOM 0 HG22 THR A 74 -11.693 -4.153 -3.188 1.00 11.12 H new ATOM 0 HG23 THR A 74 -12.174 -5.431 -2.047 1.00 11.12 H new ATOM 1092 N GLY A 75 -10.290 -7.266 -3.388 1.00 51.24 N ATOM 1093 CA GLY A 75 -10.899 -8.560 -3.646 1.00 13.22 C ATOM 1094 C GLY A 75 -10.015 -9.445 -4.520 1.00 14.23 C ATOM 1095 O GLY A 75 -10.526 -10.343 -5.191 1.00 10.21 O ATOM 0 H GLY A 75 -10.216 -6.703 -4.235 1.00 51.24 H new ATOM 0 HA2 GLY A 75 -11.093 -9.064 -2.699 1.00 13.22 H new ATOM 0 HA3 GLY A 75 -11.863 -8.416 -4.134 1.00 13.22 H new ATOM 1099 N GLN A 76 -8.704 -9.199 -4.545 1.00 32.34 N ATOM 1100 CA GLN A 76 -7.647 -10.045 -4.990 1.00 50.45 C ATOM 1101 C GLN A 76 -6.698 -10.341 -3.830 1.00 10.52 C ATOM 1102 O GLN A 76 -6.876 -9.838 -2.721 1.00 65.34 O ATOM 1103 CB GLN A 76 -7.004 -9.538 -6.282 1.00 3.50 C ATOM 1104 CG GLN A 76 -6.942 -8.052 -6.544 1.00 30.23 C ATOM 1105 CD GLN A 76 -6.956 -7.732 -8.037 1.00 14.24 C ATOM 1106 OE1 GLN A 76 -5.824 -7.705 -8.711 1.00 73.02 O flip ATOM 1107 NE2 GLN A 76 -8.026 -7.526 -8.614 1.00 23.22 N flip ATOM 0 H GLN A 76 -8.342 -8.304 -4.215 1.00 32.34 H new ATOM 0 HA GLN A 76 -8.044 -11.014 -5.291 1.00 50.45 H new ATOM 0 HB2 GLN A 76 -5.983 -9.918 -6.311 1.00 3.50 H new ATOM 0 HB3 GLN A 76 -7.538 -9.995 -7.115 1.00 3.50 H new ATOM 0 HG2 GLN A 76 -7.788 -7.563 -6.061 1.00 30.23 H new ATOM 0 HG3 GLN A 76 -6.038 -7.642 -6.094 1.00 30.23 H new ATOM 0 HE21 GLN A 76 -8.901 -7.548 -8.090 1.00 23.22 H new ATOM 0 HE22 GLN A 76 -8.037 -7.334 -9.616 1.00 23.22 H new ATOM 1114 N ARG A 77 -5.719 -11.198 -4.102 1.00 34.01 N ATOM 1115 CA ARG A 77 -4.753 -11.737 -3.150 1.00 5.52 C ATOM 1116 C ARG A 77 -3.474 -12.074 -3.896 1.00 1.13 C ATOM 1117 O ARG A 77 -3.523 -12.820 -4.879 1.00 74.15 O ATOM 1118 CB ARG A 77 -5.337 -12.944 -2.388 1.00 32.02 C ATOM 1119 CG ARG A 77 -6.009 -13.980 -3.298 1.00 61.34 C ATOM 1120 CD ARG A 77 -6.355 -15.277 -2.574 1.00 1.20 C ATOM 1121 NE ARG A 77 -7.672 -15.274 -1.920 1.00 73.43 N ATOM 1122 CZ ARG A 77 -8.850 -15.436 -2.529 1.00 12.23 C ATOM 1123 NH1 ARG A 77 -8.946 -15.345 -3.851 1.00 50.11 N ATOM 1124 NH2 ARG A 77 -9.950 -15.644 -1.823 1.00 5.10 N ATOM 0 H ARG A 77 -5.570 -11.555 -5.046 1.00 34.01 H new ATOM 0 HA ARG A 77 -4.521 -10.992 -2.389 1.00 5.52 H new ATOM 0 HB2 ARG A 77 -4.538 -13.430 -1.827 1.00 32.02 H new ATOM 0 HB3 ARG A 77 -6.065 -12.586 -1.660 1.00 32.02 H new ATOM 0 HG2 ARG A 77 -6.919 -13.551 -3.717 1.00 61.34 H new ATOM 0 HG3 ARG A 77 -5.347 -14.203 -4.135 1.00 61.34 H new ATOM 0 HD2 ARG A 77 -6.320 -16.099 -3.289 1.00 1.20 H new ATOM 0 HD3 ARG A 77 -5.590 -15.475 -1.823 1.00 1.20 H new ATOM 0 HE ARG A 77 -7.688 -15.136 -0.910 1.00 73.43 H new ATOM 0 HH11 ARG A 77 -8.116 -15.150 -4.410 1.00 50.11 H new ATOM 0 HH12 ARG A 77 -9.850 -15.470 -4.307 1.00 50.11 H new ATOM 0 HH21 ARG A 77 -9.903 -15.682 -0.805 1.00 5.10 H new ATOM 0 HH22 ARG A 77 -10.845 -15.767 -2.297 1.00 5.10 H new ATOM 1135 N VAL A 78 -2.336 -11.572 -3.429 1.00 23.10 N ATOM 1136 CA VAL A 78 -1.048 -12.060 -3.894 1.00 41.22 C ATOM 1137 C VAL A 78 -0.807 -13.410 -3.204 1.00 4.13 C ATOM 1138 O VAL A 78 -0.520 -13.500 -2.010 1.00 71.33 O ATOM 1139 CB VAL A 78 0.041 -10.978 -3.749 1.00 21.20 C ATOM 1140 CG1 VAL A 78 0.364 -10.588 -2.313 1.00 31.32 C ATOM 1141 CG2 VAL A 78 1.326 -11.357 -4.494 1.00 71.45 C ATOM 0 H VAL A 78 -2.282 -10.830 -2.731 1.00 23.10 H new ATOM 0 HA VAL A 78 -1.020 -12.256 -4.966 1.00 41.22 H new ATOM 0 HB VAL A 78 -0.398 -10.094 -4.212 1.00 21.20 H new ATOM 0 HG11 VAL A 78 1.140 -9.822 -2.310 1.00 31.32 H new ATOM 0 HG12 VAL A 78 -0.533 -10.198 -1.831 1.00 31.32 H new ATOM 0 HG13 VAL A 78 0.717 -11.464 -1.769 1.00 31.32 H new ATOM 0 HG21 VAL A 78 2.067 -10.568 -4.366 1.00 71.45 H new ATOM 0 HG22 VAL A 78 1.718 -12.291 -4.092 1.00 71.45 H new ATOM 0 HG23 VAL A 78 1.108 -11.482 -5.555 1.00 71.45 H new ATOM 1151 N LEU A 79 -1.046 -14.490 -3.943 1.00 70.33 N ATOM 1152 CA LEU A 79 -0.908 -15.909 -3.577 1.00 50.43 C ATOM 1153 C LEU A 79 -1.823 -16.422 -2.474 1.00 11.10 C ATOM 1154 O LEU A 79 -1.842 -17.631 -2.235 1.00 44.34 O ATOM 1155 CB LEU A 79 0.543 -16.285 -3.219 1.00 10.33 C ATOM 1156 CG LEU A 79 1.676 -15.649 -4.034 1.00 41.45 C ATOM 1157 CD1 LEU A 79 3.008 -16.267 -3.600 1.00 24.10 C ATOM 1158 CD2 LEU A 79 1.503 -15.816 -5.544 1.00 50.15 C ATOM 0 H LEU A 79 -1.372 -14.392 -4.904 1.00 70.33 H new ATOM 0 HA LEU A 79 -1.227 -16.405 -4.494 1.00 50.43 H new ATOM 0 HB2 LEU A 79 0.704 -16.033 -2.171 1.00 10.33 H new ATOM 0 HB3 LEU A 79 0.638 -17.368 -3.304 1.00 10.33 H new ATOM 0 HG LEU A 79 1.655 -14.578 -3.834 1.00 41.45 H new ATOM 0 HD11 LEU A 79 3.820 -15.821 -4.174 1.00 24.10 H new ATOM 0 HD12 LEU A 79 3.168 -16.078 -2.538 1.00 24.10 H new ATOM 0 HD13 LEU A 79 2.985 -17.342 -3.778 1.00 24.10 H new ATOM 0 HD21 LEU A 79 2.338 -15.343 -6.060 1.00 50.15 H new ATOM 0 HD22 LEU A 79 1.477 -16.877 -5.792 1.00 50.15 H new ATOM 0 HD23 LEU A 79 0.570 -15.347 -5.857 1.00 50.15 H new ATOM 1169 N GLY A 80 -2.553 -15.552 -1.784 1.00 71.45 N ATOM 1170 CA GLY A 80 -3.089 -15.917 -0.484 1.00 74.13 C ATOM 1171 C GLY A 80 -3.069 -14.771 0.527 1.00 73.44 C ATOM 1172 O GLY A 80 -3.580 -14.924 1.637 1.00 61.25 O ATOM 0 H GLY A 80 -2.782 -14.609 -2.097 1.00 71.45 H new ATOM 0 HA2 GLY A 80 -4.115 -16.264 -0.607 1.00 74.13 H new ATOM 0 HA3 GLY A 80 -2.515 -16.753 -0.085 1.00 74.13 H new ATOM 1176 N VAL A 81 -2.518 -13.619 0.148 1.00 30.42 N ATOM 1177 CA VAL A 81 -2.340 -12.426 0.963 1.00 45.23 C ATOM 1178 C VAL A 81 -3.218 -11.336 0.330 1.00 43.12 C ATOM 1179 O VAL A 81 -2.728 -10.617 -0.543 1.00 25.11 O ATOM 1180 CB VAL A 81 -0.835 -12.100 1.012 1.00 72.32 C ATOM 1181 CG1 VAL A 81 -0.567 -11.029 2.066 1.00 43.34 C ATOM 1182 CG2 VAL A 81 0.012 -13.337 1.346 1.00 33.14 C ATOM 0 H VAL A 81 -2.162 -13.489 -0.799 1.00 30.42 H new ATOM 0 HA VAL A 81 -2.653 -12.538 2.001 1.00 45.23 H new ATOM 0 HB VAL A 81 -0.553 -11.744 0.021 1.00 72.32 H new ATOM 0 HG11 VAL A 81 0.499 -10.805 2.094 1.00 43.34 H new ATOM 0 HG12 VAL A 81 -1.122 -10.125 1.815 1.00 43.34 H new ATOM 0 HG13 VAL A 81 -0.887 -11.392 3.043 1.00 43.34 H new ATOM 0 HG21 VAL A 81 1.066 -13.061 1.370 1.00 33.14 H new ATOM 0 HG22 VAL A 81 -0.283 -13.728 2.320 1.00 33.14 H new ATOM 0 HG23 VAL A 81 -0.145 -14.102 0.585 1.00 33.14 H new ATOM 1192 N PRO A 82 -4.521 -11.256 0.664 1.00 54.53 N ATOM 1193 CA PRO A 82 -5.414 -10.197 0.199 1.00 61.42 C ATOM 1194 C PRO A 82 -5.018 -8.830 0.758 1.00 50.52 C ATOM 1195 O PRO A 82 -4.077 -8.719 1.543 1.00 53.43 O ATOM 1196 CB PRO A 82 -6.824 -10.633 0.608 1.00 73.43 C ATOM 1197 CG PRO A 82 -6.591 -11.560 1.800 1.00 60.01 C ATOM 1198 CD PRO A 82 -5.254 -12.212 1.477 1.00 54.15 C ATOM 0 HA PRO A 82 -5.357 -10.066 -0.882 1.00 61.42 H new ATOM 0 HB2 PRO A 82 -7.443 -9.778 0.882 1.00 73.43 H new ATOM 0 HB3 PRO A 82 -7.334 -11.149 -0.205 1.00 73.43 H new ATOM 0 HG2 PRO A 82 -6.553 -11.007 2.739 1.00 60.01 H new ATOM 0 HG3 PRO A 82 -7.386 -12.299 1.897 1.00 60.01 H new ATOM 0 HD2 PRO A 82 -4.706 -12.448 2.389 1.00 54.15 H new ATOM 0 HD3 PRO A 82 -5.398 -13.150 0.940 1.00 54.15 H new ATOM 1203 N ILE A 83 -5.741 -7.773 0.386 1.00 22.00 N ATOM 1204 CA ILE A 83 -5.448 -6.394 0.780 1.00 41.44 C ATOM 1205 C ILE A 83 -6.743 -5.673 1.158 1.00 23.34 C ATOM 1206 O ILE A 83 -7.823 -6.153 0.825 1.00 52.33 O ATOM 1207 CB ILE A 83 -4.626 -5.727 -0.349 1.00 42.41 C ATOM 1208 CG1 ILE A 83 -4.122 -4.330 0.066 1.00 13.40 C ATOM 1209 CG2 ILE A 83 -5.364 -5.686 -1.709 1.00 54.14 C ATOM 1210 CD1 ILE A 83 -2.802 -3.906 -0.590 1.00 30.34 C ATOM 0 H ILE A 83 -6.564 -7.853 -0.211 1.00 22.00 H new ATOM 0 HA ILE A 83 -4.832 -6.347 1.678 1.00 41.44 H new ATOM 0 HB ILE A 83 -3.757 -6.367 -0.502 1.00 42.41 H new ATOM 0 HG12 ILE A 83 -4.888 -3.594 -0.180 1.00 13.40 H new ATOM 0 HG13 ILE A 83 -3.997 -4.310 1.149 1.00 13.40 H new ATOM 0 HG21 ILE A 83 -4.729 -5.205 -2.453 1.00 54.14 H new ATOM 0 HG22 ILE A 83 -5.593 -6.702 -2.029 1.00 54.14 H new ATOM 0 HG23 ILE A 83 -6.290 -5.121 -1.603 1.00 54.14 H new ATOM 0 HD11 ILE A 83 -2.525 -2.912 -0.240 1.00 30.34 H new ATOM 0 HD12 ILE A 83 -2.019 -4.616 -0.324 1.00 30.34 H new ATOM 0 HD13 ILE A 83 -2.923 -3.889 -1.673 1.00 30.34 H new ATOM 1221 N ILE A 84 -6.664 -4.558 1.888 1.00 73.35 N ATOM 1222 CA ILE A 84 -7.810 -3.739 2.279 1.00 55.24 C ATOM 1223 C ILE A 84 -7.842 -2.523 1.343 1.00 13.54 C ATOM 1224 O ILE A 84 -6.809 -2.086 0.826 1.00 3.35 O ATOM 1225 CB ILE A 84 -7.709 -3.349 3.790 1.00 71.21 C ATOM 1226 CG1 ILE A 84 -7.413 -4.544 4.721 1.00 15.50 C ATOM 1227 CG2 ILE A 84 -8.969 -2.623 4.296 1.00 41.32 C ATOM 1228 CD1 ILE A 84 -8.448 -5.671 4.670 1.00 74.05 C ATOM 0 H ILE A 84 -5.776 -4.191 2.232 1.00 73.35 H new ATOM 0 HA ILE A 84 -8.748 -4.285 2.178 1.00 55.24 H new ATOM 0 HB ILE A 84 -6.858 -2.669 3.832 1.00 71.21 H new ATOM 0 HG12 ILE A 84 -6.437 -4.955 4.462 1.00 15.50 H new ATOM 0 HG13 ILE A 84 -7.344 -4.179 5.746 1.00 15.50 H new ATOM 0 HG21 ILE A 84 -8.847 -2.375 5.350 1.00 41.32 H new ATOM 0 HG22 ILE A 84 -9.117 -1.708 3.722 1.00 41.32 H new ATOM 0 HG23 ILE A 84 -9.836 -3.272 4.174 1.00 41.32 H new ATOM 0 HD11 ILE A 84 -8.155 -6.465 5.357 1.00 74.05 H new ATOM 0 HD12 ILE A 84 -9.424 -5.282 4.960 1.00 74.05 H new ATOM 0 HD13 ILE A 84 -8.503 -6.069 3.657 1.00 74.05 H new ATOM 1239 N VAL A 85 -9.002 -1.894 1.207 1.00 52.42 N ATOM 1240 CA VAL A 85 -9.221 -0.616 0.524 1.00 75.24 C ATOM 1241 C VAL A 85 -8.476 0.582 1.138 1.00 63.01 C ATOM 1242 O VAL A 85 -8.602 1.696 0.644 1.00 1.41 O ATOM 1243 CB VAL A 85 -10.734 -0.343 0.513 1.00 15.33 C ATOM 1244 CG1 VAL A 85 -11.468 -1.425 -0.272 1.00 35.34 C ATOM 1245 CG2 VAL A 85 -11.342 -0.220 1.924 1.00 12.24 C ATOM 0 H VAL A 85 -9.866 -2.279 1.590 1.00 52.42 H new ATOM 0 HA VAL A 85 -8.811 -0.715 -0.481 1.00 75.24 H new ATOM 0 HB VAL A 85 -10.864 0.623 0.025 1.00 15.33 H new ATOM 0 HG11 VAL A 85 -12.538 -1.215 -0.269 1.00 35.34 H new ATOM 0 HG12 VAL A 85 -11.104 -1.439 -1.299 1.00 35.34 H new ATOM 0 HG13 VAL A 85 -11.288 -2.396 0.190 1.00 35.34 H new ATOM 0 HG21 VAL A 85 -12.412 -0.028 1.844 1.00 12.24 H new ATOM 0 HG22 VAL A 85 -11.180 -1.148 2.472 1.00 12.24 H new ATOM 0 HG23 VAL A 85 -10.864 0.603 2.456 1.00 12.24 H new ATOM 1255 N GLN A 86 -7.730 0.391 2.228 1.00 11.53 N ATOM 1256 CA GLN A 86 -7.193 1.470 3.046 1.00 71.00 C ATOM 1257 C GLN A 86 -6.407 2.511 2.237 1.00 40.12 C ATOM 1258 O GLN A 86 -6.640 3.702 2.438 1.00 31.44 O ATOM 1259 CB GLN A 86 -6.367 0.872 4.196 1.00 64.23 C ATOM 1260 CG GLN A 86 -7.121 0.907 5.534 1.00 20.24 C ATOM 1261 CD GLN A 86 -6.947 2.247 6.246 1.00 74.00 C ATOM 1262 OE1 GLN A 86 -6.068 2.389 7.088 1.00 64.00 O ATOM 1263 NE2 GLN A 86 -7.729 3.266 5.934 1.00 11.34 N ATOM 0 H GLN A 86 -7.480 -0.537 2.570 1.00 11.53 H new ATOM 0 HA GLN A 86 -8.031 2.026 3.465 1.00 71.00 H new ATOM 0 HB2 GLN A 86 -6.106 -0.159 3.955 1.00 64.23 H new ATOM 0 HB3 GLN A 86 -5.432 1.423 4.294 1.00 64.23 H new ATOM 0 HG2 GLN A 86 -8.181 0.723 5.359 1.00 20.24 H new ATOM 0 HG3 GLN A 86 -6.760 0.104 6.176 1.00 20.24 H new ATOM 0 HE21 GLN A 86 -8.461 3.151 5.234 1.00 11.34 H new ATOM 0 HE22 GLN A 86 -7.600 4.167 6.394 1.00 11.34 H new ATOM 1270 N ALA A 87 -5.511 2.088 1.331 1.00 74.10 N ATOM 1271 CA ALA A 87 -4.879 2.919 0.298 1.00 44.32 C ATOM 1272 C ALA A 87 -4.282 4.250 0.788 1.00 42.21 C ATOM 1273 O ALA A 87 -4.185 5.206 0.024 1.00 62.13 O ATOM 1274 CB ALA A 87 -5.845 3.076 -0.883 1.00 25.21 C ATOM 0 H ALA A 87 -5.196 1.119 1.298 1.00 74.10 H new ATOM 0 HA ALA A 87 -3.988 2.387 -0.036 1.00 44.32 H new ATOM 0 HB1 ALA A 87 -5.381 3.692 -1.653 1.00 25.21 H new ATOM 0 HB2 ALA A 87 -6.078 2.094 -1.295 1.00 25.21 H new ATOM 0 HB3 ALA A 87 -6.763 3.553 -0.541 1.00 25.21 H new ATOM 1280 N SER A 88 -3.832 4.281 2.045 1.00 32.02 N ATOM 1281 CA SER A 88 -3.340 5.451 2.770 1.00 1.44 C ATOM 1282 C SER A 88 -4.287 6.669 2.636 1.00 43.43 C ATOM 1283 O SER A 88 -5.444 6.529 2.236 1.00 63.32 O ATOM 1284 CB SER A 88 -1.870 5.700 2.382 1.00 61.23 C ATOM 1285 OG SER A 88 -1.057 5.841 3.535 1.00 43.00 O ATOM 0 H SER A 88 -3.800 3.437 2.617 1.00 32.02 H new ATOM 0 HA SER A 88 -3.348 5.261 3.843 1.00 1.44 H new ATOM 0 HB2 SER A 88 -1.505 4.872 1.775 1.00 61.23 H new ATOM 0 HB3 SER A 88 -1.799 6.599 1.770 1.00 61.23 H new ATOM 0 HG SER A 88 -0.128 5.996 3.263 1.00 43.00 H new ATOM 1290 N GLN A 89 -3.842 7.859 3.051 1.00 73.10 N ATOM 1291 CA GLN A 89 -4.492 9.159 2.877 1.00 44.32 C ATOM 1292 C GLN A 89 -5.992 9.162 3.237 1.00 13.05 C ATOM 1293 O GLN A 89 -6.854 9.648 2.500 1.00 12.34 O ATOM 1294 CB GLN A 89 -4.173 9.645 1.458 1.00 63.12 C ATOM 1295 CG GLN A 89 -3.715 11.097 1.371 1.00 41.14 C ATOM 1296 CD GLN A 89 -4.856 12.106 1.470 1.00 12.13 C ATOM 1297 OE1 GLN A 89 -5.861 12.009 0.771 1.00 52.04 O ATOM 1298 NE2 GLN A 89 -4.737 13.147 2.270 1.00 1.35 N ATOM 0 H GLN A 89 -2.957 7.944 3.552 1.00 73.10 H new ATOM 0 HA GLN A 89 -4.090 9.873 3.596 1.00 44.32 H new ATOM 0 HB2 GLN A 89 -3.396 9.007 1.036 1.00 63.12 H new ATOM 0 HB3 GLN A 89 -5.060 9.520 0.837 1.00 63.12 H new ATOM 0 HG2 GLN A 89 -2.999 11.292 2.170 1.00 41.14 H new ATOM 0 HG3 GLN A 89 -3.189 11.247 0.428 1.00 41.14 H new ATOM 0 HE21 GLN A 89 -3.910 13.246 2.859 1.00 1.35 H new ATOM 0 HE22 GLN A 89 -5.472 13.853 2.300 1.00 1.35 H new ATOM 1305 N ALA A 90 -6.308 8.589 4.395 1.00 52.04 N ATOM 1306 CA ALA A 90 -7.655 8.561 4.962 1.00 44.31 C ATOM 1307 C ALA A 90 -7.868 9.731 5.928 1.00 23.33 C ATOM 1308 O ALA A 90 -6.930 10.203 6.567 1.00 20.24 O ATOM 1309 CB ALA A 90 -7.890 7.232 5.690 1.00 4.42 C ATOM 0 H ALA A 90 -5.618 8.119 4.981 1.00 52.04 H new ATOM 0 HA ALA A 90 -8.371 8.656 4.146 1.00 44.31 H new ATOM 0 HB1 ALA A 90 -8.896 7.220 6.109 1.00 4.42 H new ATOM 0 HB2 ALA A 90 -7.780 6.407 4.986 1.00 4.42 H new ATOM 0 HB3 ALA A 90 -7.161 7.123 6.493 1.00 4.42 H new ATOM 1315 N GLU A 91 -9.132 10.100 6.126 1.00 2.45 N ATOM 1316 CA GLU A 91 -9.642 11.295 6.811 1.00 62.11 C ATOM 1317 C GLU A 91 -9.527 11.230 8.348 1.00 42.14 C ATOM 1318 O GLU A 91 -10.072 12.052 9.085 1.00 34.21 O ATOM 1319 CB GLU A 91 -11.100 11.424 6.329 1.00 43.32 C ATOM 1320 CG GLU A 91 -11.895 12.661 6.770 1.00 71.51 C ATOM 1321 CD GLU A 91 -13.178 12.790 5.950 1.00 64.34 C ATOM 1322 OE1 GLU A 91 -13.921 11.785 5.823 1.00 23.51 O ATOM 1323 OE2 GLU A 91 -13.431 13.885 5.399 1.00 73.34 O ATOM 0 H GLU A 91 -9.897 9.521 5.781 1.00 2.45 H new ATOM 0 HA GLU A 91 -9.046 12.173 6.564 1.00 62.11 H new ATOM 0 HB2 GLU A 91 -11.095 11.400 5.239 1.00 43.32 H new ATOM 0 HB3 GLU A 91 -11.643 10.540 6.665 1.00 43.32 H new ATOM 0 HG2 GLU A 91 -12.139 12.585 7.830 1.00 71.51 H new ATOM 0 HG3 GLU A 91 -11.285 13.556 6.646 1.00 71.51 H new ATOM 1328 N LYS A 92 -8.835 10.220 8.862 1.00 54.31 N ATOM 1329 CA LYS A 92 -8.780 9.883 10.284 1.00 14.43 C ATOM 1330 C LYS A 92 -8.085 10.948 11.131 1.00 42.41 C ATOM 1331 O LYS A 92 -8.211 10.918 12.358 1.00 21.23 O ATOM 1332 CB LYS A 92 -8.067 8.524 10.438 1.00 23.31 C ATOM 1333 CG LYS A 92 -8.858 7.365 9.823 1.00 33.14 C ATOM 1334 CD LYS A 92 -10.031 6.987 10.729 1.00 61.32 C ATOM 1335 CE LYS A 92 -10.964 6.021 10.012 1.00 13.41 C ATOM 1336 NZ LYS A 92 -12.312 6.058 10.603 1.00 0.44 N ATOM 0 H LYS A 92 -8.278 9.591 8.284 1.00 54.31 H new ATOM 0 HA LYS A 92 -9.804 9.829 10.654 1.00 14.43 H new ATOM 0 HB2 LYS A 92 -7.086 8.578 9.967 1.00 23.31 H new ATOM 0 HB3 LYS A 92 -7.902 8.324 11.497 1.00 23.31 H new ATOM 0 HG2 LYS A 92 -9.227 7.649 8.838 1.00 33.14 H new ATOM 0 HG3 LYS A 92 -8.205 6.504 9.683 1.00 33.14 H new ATOM 0 HD2 LYS A 92 -9.658 6.530 11.646 1.00 61.32 H new ATOM 0 HD3 LYS A 92 -10.578 7.884 11.019 1.00 61.32 H new ATOM 0 HE2 LYS A 92 -11.019 6.279 8.954 1.00 13.41 H new ATOM 0 HE3 LYS A 92 -10.563 5.009 10.073 1.00 13.41 H new ATOM 0 HZ1 LYS A 92 -12.931 5.392 10.098 1.00 0.44 H new ATOM 0 HZ2 LYS A 92 -12.259 5.789 11.606 1.00 0.44 H new ATOM 0 HZ3 LYS A 92 -12.700 7.020 10.523 1.00 0.44 H new ATOM 1346 N ASN A 93 -7.307 11.832 10.523 1.00 13.25 N ATOM 1347 CA ASN A 93 -6.404 12.774 11.157 1.00 73.43 C ATOM 1348 C ASN A 93 -7.135 13.996 11.712 1.00 32.23 C ATOM 1349 O ASN A 93 -6.892 15.121 11.277 1.00 41.12 O ATOM 1350 CB ASN A 93 -5.278 13.156 10.182 1.00 40.23 C ATOM 1351 CG ASN A 93 -5.776 13.661 8.830 1.00 11.44 C ATOM 1352 OD1 ASN A 93 -6.438 12.920 8.112 1.00 0.33 O ATOM 1353 ND2 ASN A 93 -5.442 14.871 8.432 1.00 62.20 N ATOM 0 H ASN A 93 -7.291 11.913 9.506 1.00 13.25 H new ATOM 0 HA ASN A 93 -5.954 12.287 12.022 1.00 73.43 H new ATOM 0 HB2 ASN A 93 -4.659 13.927 10.641 1.00 40.23 H new ATOM 0 HB3 ASN A 93 -4.639 12.287 10.022 1.00 40.23 H new ATOM 0 HD21 ASN A 93 -5.735 15.205 7.514 1.00 62.20 H new ATOM 0 HD22 ASN A 93 -4.891 15.475 9.042 1.00 62.20 H new ATOM 1359 N ARG A 94 -7.896 13.786 12.794 1.00 63.31 N ATOM 1360 CA ARG A 94 -8.533 14.848 13.582 1.00 20.51 C ATOM 1361 C ARG A 94 -9.405 15.710 12.678 1.00 1.24 C ATOM 1362 O ARG A 94 -9.466 16.936 12.892 1.00 63.10 O ATOM 1363 CB ARG A 94 -7.431 15.659 14.300 1.00 23.11 C ATOM 1364 CG ARG A 94 -7.883 16.378 15.579 1.00 15.34 C ATOM 1365 CD ARG A 94 -6.662 17.117 16.129 1.00 51.33 C ATOM 1366 NE ARG A 94 -6.866 17.635 17.485 1.00 72.20 N ATOM 1367 CZ ARG A 94 -5.972 18.386 18.138 1.00 24.34 C ATOM 1368 NH1 ARG A 94 -4.805 18.713 17.591 1.00 33.33 N ATOM 1369 NH2 ARG A 94 -6.246 18.841 19.353 1.00 63.14 N ATOM 0 H ARG A 94 -8.090 12.851 13.154 1.00 63.31 H new ATOM 0 HA ARG A 94 -9.190 14.428 14.343 1.00 20.51 H new ATOM 0 HB2 ARG A 94 -6.611 14.986 14.550 1.00 23.11 H new ATOM 0 HB3 ARG A 94 -7.035 16.400 13.605 1.00 23.11 H new ATOM 0 HG2 ARG A 94 -8.692 17.076 15.364 1.00 15.34 H new ATOM 0 HG3 ARG A 94 -8.263 15.664 16.309 1.00 15.34 H new ATOM 0 HD2 ARG A 94 -5.806 16.442 16.129 1.00 51.33 H new ATOM 0 HD3 ARG A 94 -6.415 17.944 15.464 1.00 51.33 H new ATOM 0 HE ARG A 94 -7.741 17.410 17.958 1.00 72.20 H new ATOM 0 HH11 ARG A 94 -4.574 18.390 16.652 1.00 33.33 H new ATOM 0 HH12 ARG A 94 -4.141 19.287 18.111 1.00 33.33 H new ATOM 0 HH21 ARG A 94 -7.140 18.619 19.791 1.00 63.14 H new ATOM 0 HH22 ARG A 94 -5.563 19.413 19.849 1.00 63.14 H new TER 1380 ARG A 94