USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1074 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 127 HIS : no HD1:sc= -1.32 K(o=-1.3,f=0.37) USER MOD Set 1.2: A 128 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 TYR OH : rot -18:sc= 2.06 USER MOD Set 2.2: A 53 LYS NZ :NH3+ -135:sc= 1.36 (180deg=-0.00447) USER MOD Set 2.3: A 57 THR OG1 : rot 64:sc= 0.062 USER MOD Set 3.1: A 18 GLN : amide:sc= -0.53 K(o=-0.25,f=-4.1!) USER MOD Set 3.2: A 21 LYS NZ :NH3+ -178:sc= 0.276 (180deg=0) USER MOD Set 4.1: A 8 SER OG : rot -73:sc= 1.32 USER MOD Set 4.2: A 11 THR OG1 : rot -115:sc= -0.502 USER MOD Set 4.3: A 12 HIS : no HD1:sc= 0.805 K(o=1.6,f=-6!) USER MOD Set 5.1: A -4 GLY N :NH3+ -134:sc= 1.06 (180deg=0) USER MOD Set 5.2: A 111 GLN : amide:sc= 0.878 K(o=1.9,f=-2.1) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0631 X(o=-0.063,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.872 USER MOD Single : A 7 SER OG : rot -25:sc= 0.0575 USER MOD Single : A -3 SER OG : rot 180:sc= -0.0687 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -166:sc= -1.84 (180deg=-2.45) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -141:sc= -0.229 (180deg=-2.09!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.796 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0649 X(o=-0.065,f=-0.17) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= -0.0139 (180deg=-0.185) USER MOD Single : A 70 HIS : no HD1:sc= -0.524 X(o=-0.52,f=-0.069) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.14) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0727) USER MOD Single : A 86 SER OG : rot -88:sc= 1.04 USER MOD Single : A 89 SER OG : rot -162:sc= 1.02 USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= -0.0382 (180deg=-0.216) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= 1.21 (180deg=1.2) USER MOD Single : A 96 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.11) USER MOD Single : A 102 HIS : no HD1:sc= -0.693 X(o=-0.69,f=-0.63) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -162:sc= 0.111 (180deg=0.0578) USER MOD Single : A 110 LYS NZ :NH3+ 138:sc= 0.389 (180deg=-0.00895) USER MOD Single : A 112 TYR OH : rot 81:sc= -0.0496 USER MOD Single : A 121 LYS NZ :NH3+ -130:sc= -0.0241 (180deg=-0.265) USER MOD Single : A 122 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.04) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot -2:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 8.882 6.001 -11.836 1.00 12.20 N ATOM 2 CA GLY A -4 8.166 6.935 -12.742 1.00 11.71 C ATOM 3 C GLY A -4 7.181 7.803 -11.992 1.00 10.84 C ATOM 4 O GLY A -4 6.952 7.602 -10.799 1.00 10.86 O ATOM 0 H1 GLY A -4 9.899 6.017 -12.054 1.00 12.20 H new ATOM 0 H2 GLY A -4 8.735 6.294 -10.849 1.00 12.20 H new ATOM 0 H3 GLY A -4 8.514 5.037 -11.970 1.00 12.20 H new ATOM 0 HA2 GLY A -4 8.889 7.568 -13.257 1.00 11.71 H new ATOM 0 HA3 GLY A -4 7.639 6.366 -13.508 1.00 11.71 H new ATOM 9 N SER A -3 6.596 8.766 -12.682 1.00 10.23 N ATOM 10 CA SER A -3 5.636 9.669 -12.072 1.00 9.45 C ATOM 11 C SER A -3 4.223 9.317 -12.539 1.00 8.46 C ATOM 12 O SER A -3 4.013 8.995 -13.711 1.00 8.10 O ATOM 13 CB SER A -3 5.978 11.121 -12.438 1.00 9.56 C ATOM 14 OG SER A -3 5.180 12.043 -11.713 1.00 9.90 O ATOM 0 H SER A -3 6.770 8.943 -13.671 1.00 10.23 H new ATOM 0 HA SER A -3 5.681 9.564 -10.988 1.00 9.45 H new ATOM 0 HB2 SER A -3 7.032 11.310 -12.233 1.00 9.56 H new ATOM 0 HB3 SER A -3 5.830 11.272 -13.507 1.00 9.56 H new ATOM 0 HG SER A -3 5.424 12.957 -11.968 1.00 9.90 H new ATOM 20 N PRO A -2 3.235 9.359 -11.626 1.00 8.27 N ATOM 21 CA PRO A -2 1.841 9.044 -11.951 1.00 7.59 C ATOM 22 C PRO A -2 1.151 10.166 -12.731 1.00 6.73 C ATOM 23 O PRO A -2 0.068 10.624 -12.359 1.00 6.54 O ATOM 24 CB PRO A -2 1.196 8.865 -10.577 1.00 8.12 C ATOM 25 CG PRO A -2 1.996 9.736 -9.676 1.00 8.87 C ATOM 26 CD PRO A -2 3.405 9.708 -10.203 1.00 9.01 C ATOM 0 HA PRO A -2 1.758 8.169 -12.595 1.00 7.59 H new ATOM 0 HB2 PRO A -2 0.147 9.162 -10.589 1.00 8.12 H new ATOM 0 HB3 PRO A -2 1.229 7.824 -10.255 1.00 8.12 H new ATOM 0 HG2 PRO A -2 1.604 10.753 -9.669 1.00 8.87 H new ATOM 0 HG3 PRO A -2 1.958 9.373 -8.649 1.00 8.87 H new ATOM 0 HD2 PRO A -2 3.897 10.673 -10.083 1.00 9.01 H new ATOM 0 HD3 PRO A -2 4.015 8.972 -9.679 1.00 9.01 H new ATOM 34 N GLU A -1 1.786 10.600 -13.815 1.00 6.51 N ATOM 35 CA GLU A -1 1.253 11.666 -14.656 1.00 6.05 C ATOM 36 C GLU A -1 -0.101 11.263 -15.229 1.00 5.17 C ATOM 37 O GLU A -1 -1.043 12.047 -15.242 1.00 5.34 O ATOM 38 CB GLU A -1 2.221 11.975 -15.800 1.00 6.62 C ATOM 39 CG GLU A -1 1.798 13.159 -16.653 1.00 7.11 C ATOM 40 CD GLU A -1 2.580 13.256 -17.945 1.00 7.82 C ATOM 41 OE1 GLU A -1 3.756 13.674 -17.902 1.00 8.29 O ATOM 42 OE2 GLU A -1 2.029 12.912 -19.008 1.00 8.12 O ATOM 0 H GLU A -1 2.679 10.225 -14.134 1.00 6.51 H new ATOM 0 HA GLU A -1 1.130 12.558 -14.041 1.00 6.05 H new ATOM 0 HB2 GLU A -1 3.209 12.172 -15.385 1.00 6.62 H new ATOM 0 HB3 GLU A -1 2.312 11.094 -16.436 1.00 6.62 H new ATOM 0 HG2 GLU A -1 0.735 13.076 -16.881 1.00 7.11 H new ATOM 0 HG3 GLU A -1 1.931 14.078 -16.083 1.00 7.11 H new ATOM 49 N PHE A 0 -0.188 10.018 -15.669 1.00 4.52 N ATOM 50 CA PHE A 0 -1.411 9.492 -16.261 1.00 3.81 C ATOM 51 C PHE A 0 -2.393 9.021 -15.191 1.00 2.87 C ATOM 52 O PHE A 0 -3.355 8.311 -15.492 1.00 2.71 O ATOM 53 CB PHE A 0 -1.085 8.352 -17.228 1.00 4.15 C ATOM 54 CG PHE A 0 -0.009 7.431 -16.735 1.00 4.33 C ATOM 55 CD1 PHE A 0 1.324 7.698 -16.986 1.00 4.43 C ATOM 56 CD2 PHE A 0 -0.342 6.300 -16.014 1.00 4.83 C ATOM 57 CE1 PHE A 0 2.310 6.846 -16.524 1.00 4.95 C ATOM 58 CE2 PHE A 0 0.636 5.444 -15.550 1.00 5.34 C ATOM 59 CZ PHE A 0 2.000 5.740 -15.839 1.00 5.37 C ATOM 0 H PHE A 0 0.579 9.347 -15.627 1.00 4.52 H new ATOM 0 HA PHE A 0 -1.888 10.300 -16.815 1.00 3.81 H new ATOM 0 HB2 PHE A 0 -1.990 7.773 -17.411 1.00 4.15 H new ATOM 0 HB3 PHE A 0 -0.778 8.775 -18.184 1.00 4.15 H new ATOM 0 HD1 PHE A 0 1.597 8.579 -17.547 1.00 4.43 H new ATOM 0 HD2 PHE A 0 -1.380 6.083 -15.811 1.00 4.83 H new ATOM 0 HE1 PHE A 0 3.347 7.077 -16.719 1.00 4.95 H new ATOM 0 HE2 PHE A 0 0.373 4.566 -14.979 1.00 5.34 H new ATOM 0 HZ PHE A 0 2.781 5.073 -15.506 1.00 5.37 H new ATOM 69 N HIS A 1 -2.141 9.426 -13.947 1.00 2.77 N ATOM 70 CA HIS A 1 -2.998 9.079 -12.814 1.00 2.43 C ATOM 71 C HIS A 1 -3.185 7.568 -12.707 1.00 2.13 C ATOM 72 O HIS A 1 -2.199 6.833 -12.623 1.00 2.87 O ATOM 73 CB HIS A 1 -4.356 9.790 -12.910 1.00 3.10 C ATOM 74 CG HIS A 1 -4.309 11.245 -12.551 1.00 3.96 C ATOM 75 ND1 HIS A 1 -5.411 11.939 -12.098 1.00 4.72 N ATOM 76 CD2 HIS A 1 -3.289 12.139 -12.570 1.00 4.59 C ATOM 77 CE1 HIS A 1 -5.075 13.191 -11.855 1.00 5.61 C ATOM 78 NE2 HIS A 1 -3.795 13.337 -12.132 1.00 5.54 N ATOM 0 H HIS A 1 -1.338 10.003 -13.696 1.00 2.77 H new ATOM 0 HA HIS A 1 -2.500 9.422 -11.907 1.00 2.43 H new ATOM 0 HB2 HIS A 1 -4.736 9.689 -13.927 1.00 3.10 H new ATOM 0 HB3 HIS A 1 -5.065 9.287 -12.253 1.00 3.10 H new ATOM 0 HD2 HIS A 1 -2.271 11.945 -12.873 1.00 4.59 H new ATOM 0 HE1 HIS A 1 -5.736 13.964 -11.491 1.00 5.61 H new ATOM 0 HE2 HIS A 1 -3.265 14.203 -12.036 1.00 5.54 H new ATOM 87 N HIS A 2 -4.448 7.117 -12.719 1.00 1.52 N ATOM 88 CA HIS A 2 -4.803 5.701 -12.552 1.00 1.53 C ATOM 89 C HIS A 2 -4.529 5.243 -11.118 1.00 1.34 C ATOM 90 O HIS A 2 -5.423 4.743 -10.435 1.00 2.13 O ATOM 91 CB HIS A 2 -4.054 4.816 -13.558 1.00 1.86 C ATOM 92 CG HIS A 2 -4.590 3.416 -13.672 1.00 2.38 C ATOM 93 ND1 HIS A 2 -4.068 2.483 -14.537 1.00 2.75 N ATOM 94 CD2 HIS A 2 -5.615 2.797 -13.034 1.00 3.17 C ATOM 95 CE1 HIS A 2 -4.743 1.355 -14.430 1.00 3.57 C ATOM 96 NE2 HIS A 2 -5.685 1.516 -13.524 1.00 3.83 N ATOM 0 H HIS A 2 -5.255 7.728 -12.845 1.00 1.52 H new ATOM 0 HA HIS A 2 -5.870 5.598 -12.749 1.00 1.53 H new ATOM 0 HB2 HIS A 2 -4.094 5.288 -14.539 1.00 1.86 H new ATOM 0 HB3 HIS A 2 -3.004 4.768 -13.270 1.00 1.86 H new ATOM 0 HD2 HIS A 2 -6.256 3.231 -12.281 1.00 3.17 H new ATOM 0 HE1 HIS A 2 -4.555 0.451 -14.991 1.00 3.57 H new ATOM 0 HE2 HIS A 2 -6.357 0.805 -13.234 1.00 3.83 H new ATOM 105 N PHE A 3 -3.296 5.414 -10.671 1.00 1.08 N ATOM 106 CA PHE A 3 -2.917 5.088 -9.309 1.00 0.89 C ATOM 107 C PHE A 3 -2.318 6.318 -8.632 1.00 0.90 C ATOM 108 O PHE A 3 -1.142 6.632 -8.823 1.00 1.22 O ATOM 109 CB PHE A 3 -1.907 3.935 -9.282 1.00 0.94 C ATOM 110 CG PHE A 3 -2.391 2.669 -9.936 1.00 0.86 C ATOM 111 CD1 PHE A 3 -3.544 2.042 -9.490 1.00 0.90 C ATOM 112 CD2 PHE A 3 -1.703 2.113 -11.004 1.00 0.97 C ATOM 113 CE1 PHE A 3 -4.002 0.888 -10.094 1.00 0.97 C ATOM 114 CE2 PHE A 3 -2.156 0.955 -11.609 1.00 0.99 C ATOM 115 CZ PHE A 3 -3.265 0.317 -11.135 1.00 0.96 C ATOM 0 H PHE A 3 -2.533 5.781 -11.240 1.00 1.08 H new ATOM 0 HA PHE A 3 -3.810 4.773 -8.769 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -0.992 4.258 -9.777 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -1.649 3.718 -8.245 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -4.091 2.462 -8.659 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -0.804 2.589 -11.367 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -4.923 0.430 -9.764 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -1.629 0.553 -12.462 1.00 0.99 H new ATOM 0 HZ PHE A 3 -3.572 -0.626 -11.563 1.00 0.96 H new ATOM 125 N THR A 4 -3.131 7.013 -7.855 1.00 0.74 N ATOM 126 CA THR A 4 -2.685 8.199 -7.140 1.00 0.76 C ATOM 127 C THR A 4 -3.161 8.142 -5.697 1.00 0.71 C ATOM 128 O THR A 4 -4.133 7.453 -5.378 1.00 0.76 O ATOM 129 CB THR A 4 -3.195 9.501 -7.800 1.00 0.77 C ATOM 130 OG1 THR A 4 -4.597 9.404 -8.072 1.00 0.68 O ATOM 131 CG2 THR A 4 -2.442 9.796 -9.090 1.00 0.96 C ATOM 0 H THR A 4 -4.111 6.775 -7.702 1.00 0.74 H new ATOM 0 HA THR A 4 -1.596 8.211 -7.175 1.00 0.76 H new ATOM 0 HB THR A 4 -3.018 10.319 -7.102 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.908 10.235 -8.488 1.00 0.68 H new ATOM 0 HG21 THR A 4 -2.823 10.717 -9.531 1.00 0.96 H new ATOM 0 HG22 THR A 4 -1.380 9.909 -8.873 1.00 0.96 H new ATOM 0 HG23 THR A 4 -2.584 8.973 -9.790 1.00 0.96 H new ATOM 139 N LEU A 5 -2.465 8.849 -4.820 1.00 0.74 N ATOM 140 CA LEU A 5 -2.798 8.842 -3.405 1.00 0.77 C ATOM 141 C LEU A 5 -4.086 9.596 -3.121 1.00 0.67 C ATOM 142 O LEU A 5 -4.814 9.238 -2.201 1.00 0.73 O ATOM 143 CB LEU A 5 -1.667 9.446 -2.568 1.00 0.91 C ATOM 144 CG LEU A 5 -0.503 8.507 -2.252 1.00 1.02 C ATOM 145 CD1 LEU A 5 0.300 8.182 -3.502 1.00 1.67 C ATOM 146 CD2 LEU A 5 0.383 9.128 -1.186 1.00 1.67 C ATOM 0 H LEU A 5 -1.666 9.435 -5.064 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.938 7.798 -3.125 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -1.275 10.316 -3.094 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -2.087 9.804 -1.628 1.00 0.91 H new ATOM 0 HG LEU A 5 -0.908 7.569 -1.873 1.00 1.02 H new ATOM 0 HD11 LEU A 5 1.120 7.512 -3.244 1.00 1.67 H new ATOM 0 HD12 LEU A 5 -0.346 7.698 -4.234 1.00 1.67 H new ATOM 0 HD13 LEU A 5 0.702 9.102 -3.925 1.00 1.67 H new ATOM 0 HD21 LEU A 5 1.211 8.455 -0.964 1.00 1.67 H new ATOM 0 HD22 LEU A 5 0.775 10.079 -1.547 1.00 1.67 H new ATOM 0 HD23 LEU A 5 -0.200 9.296 -0.281 1.00 1.67 H new ATOM 158 N GLU A 6 -4.388 10.609 -3.931 1.00 0.60 N ATOM 159 CA GLU A 6 -5.724 11.201 -3.925 1.00 0.58 C ATOM 160 C GLU A 6 -6.714 10.118 -4.319 1.00 0.59 C ATOM 161 O GLU A 6 -7.719 9.956 -3.630 1.00 0.61 O ATOM 162 CB GLU A 6 -5.805 12.377 -4.894 1.00 0.62 C ATOM 163 CG GLU A 6 -4.920 13.547 -4.505 1.00 0.87 C ATOM 164 CD GLU A 6 -4.991 14.681 -5.502 1.00 1.35 C ATOM 165 OE1 GLU A 6 -6.075 15.283 -5.651 1.00 1.68 O ATOM 166 OE2 GLU A 6 -3.961 14.976 -6.145 1.00 1.80 O ATOM 0 H GLU A 6 -3.736 11.032 -4.591 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.956 11.585 -2.932 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.525 12.036 -5.891 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.839 12.718 -4.953 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -5.217 13.912 -3.522 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -3.888 13.206 -4.420 1.00 0.87 H new ATOM 173 N SER A 7 -6.475 9.377 -5.391 1.00 0.59 N ATOM 174 CA SER A 7 -7.409 8.339 -5.823 1.00 0.63 C ATOM 175 C SER A 7 -7.678 7.313 -4.713 1.00 0.62 C ATOM 176 O SER A 7 -8.667 6.583 -4.769 1.00 0.78 O ATOM 177 CB SER A 7 -6.874 7.636 -7.075 1.00 0.67 C ATOM 178 OG SER A 7 -7.837 6.756 -7.635 1.00 1.14 O ATOM 0 H SER A 7 -5.646 9.472 -5.978 1.00 0.59 H new ATOM 0 HA SER A 7 -8.356 8.825 -6.058 1.00 0.63 H new ATOM 0 HB2 SER A 7 -6.588 8.382 -7.817 1.00 0.67 H new ATOM 0 HB3 SER A 7 -5.974 7.076 -6.821 1.00 0.67 H new ATOM 0 HG SER A 7 -8.464 6.471 -6.938 1.00 1.14 H new ATOM 184 N SER A 8 -6.816 7.255 -3.700 1.00 0.53 N ATOM 185 CA SER A 8 -7.004 6.305 -2.619 1.00 0.52 C ATOM 186 C SER A 8 -7.648 6.891 -1.360 1.00 0.48 C ATOM 187 O SER A 8 -8.137 6.141 -0.527 1.00 0.48 O ATOM 188 CB SER A 8 -5.697 5.609 -2.274 1.00 0.57 C ATOM 189 OG SER A 8 -5.145 4.958 -3.409 1.00 1.02 O ATOM 0 H SER A 8 -5.992 7.849 -3.610 1.00 0.53 H new ATOM 0 HA SER A 8 -7.719 5.576 -3.002 1.00 0.52 H new ATOM 0 HB2 SER A 8 -4.985 6.338 -1.888 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.868 4.880 -1.482 1.00 0.57 H new ATOM 0 HG SER A 8 -5.669 4.155 -3.612 1.00 1.02 H new ATOM 195 N LEU A 9 -7.580 8.215 -1.171 1.00 0.47 N ATOM 196 CA LEU A 9 -7.883 8.834 0.122 1.00 0.46 C ATOM 197 C LEU A 9 -9.218 8.444 0.755 1.00 0.46 C ATOM 198 O LEU A 9 -9.352 8.327 1.971 1.00 0.42 O ATOM 199 CB LEU A 9 -7.772 10.335 0.002 1.00 0.49 C ATOM 200 CG LEU A 9 -6.375 10.822 -0.350 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.421 12.279 -0.723 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.409 10.572 0.802 1.00 0.78 C ATOM 0 H LEU A 9 -7.317 8.878 -1.900 1.00 0.47 H new ATOM 0 HA LEU A 9 -7.137 8.436 0.810 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.470 10.682 -0.760 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -8.078 10.789 0.945 1.00 0.49 H new ATOM 0 HG LEU A 9 -6.009 10.260 -1.209 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.417 12.622 -0.974 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -7.076 12.414 -1.583 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.803 12.858 0.118 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.416 10.928 0.528 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.754 11.105 1.688 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.365 9.504 1.015 1.00 0.78 H new ATOM 214 N ASP A 10 -10.198 8.282 -0.119 1.00 0.51 N ATOM 215 CA ASP A 10 -11.545 7.872 0.270 1.00 0.53 C ATOM 216 C ASP A 10 -11.664 6.365 0.244 1.00 0.54 C ATOM 217 O ASP A 10 -12.633 5.796 0.748 1.00 0.57 O ATOM 218 CB ASP A 10 -12.560 8.466 -0.714 1.00 0.57 C ATOM 219 CG ASP A 10 -14.000 8.098 -0.399 1.00 0.78 C ATOM 220 OD1 ASP A 10 -14.525 8.575 0.630 1.00 0.77 O ATOM 221 OD2 ASP A 10 -14.611 7.322 -1.167 1.00 1.32 O ATOM 0 H ASP A 10 -10.085 8.431 -1.122 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.743 8.231 1.280 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.463 9.552 -0.712 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -12.319 8.126 -1.721 1.00 0.57 H new ATOM 226 N THR A 11 -10.675 5.710 -0.314 1.00 0.54 N ATOM 227 CA THR A 11 -10.767 4.298 -0.542 1.00 0.56 C ATOM 228 C THR A 11 -9.625 3.524 0.130 1.00 0.53 C ATOM 229 O THR A 11 -9.662 3.255 1.330 1.00 0.53 O ATOM 230 CB THR A 11 -10.828 4.004 -2.059 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.650 4.502 -2.719 1.00 0.59 O ATOM 232 CG2 THR A 11 -12.057 4.669 -2.665 1.00 0.69 C ATOM 0 H THR A 11 -9.799 6.137 -0.617 1.00 0.54 H new ATOM 0 HA THR A 11 -11.691 3.949 -0.081 1.00 0.56 H new ATOM 0 HB THR A 11 -10.885 2.924 -2.197 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.901 5.217 -3.341 1.00 0.59 H new ATOM 0 HG21 THR A 11 -12.095 4.459 -3.734 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.955 4.279 -2.186 1.00 0.69 H new ATOM 0 HG23 THR A 11 -12.002 5.746 -2.509 1.00 0.69 H new ATOM 240 N HIS A 12 -8.608 3.194 -0.658 1.00 0.51 N ATOM 241 CA HIS A 12 -7.484 2.395 -0.170 1.00 0.49 C ATOM 242 C HIS A 12 -6.789 3.068 1.023 1.00 0.43 C ATOM 243 O HIS A 12 -6.408 2.397 1.976 1.00 0.43 O ATOM 244 CB HIS A 12 -6.455 2.127 -1.284 1.00 0.49 C ATOM 245 CG HIS A 12 -7.058 1.898 -2.638 1.00 0.57 C ATOM 246 ND1 HIS A 12 -6.687 2.599 -3.769 1.00 1.50 N ATOM 247 CD2 HIS A 12 -8.009 1.030 -3.034 1.00 0.90 C ATOM 248 CE1 HIS A 12 -7.391 2.167 -4.800 1.00 1.34 C ATOM 249 NE2 HIS A 12 -8.200 1.215 -4.380 1.00 0.66 N ATOM 0 H HIS A 12 -8.536 3.466 -1.638 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.898 1.442 0.160 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.771 2.974 -1.342 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.861 1.255 -1.012 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -8.526 0.319 -2.407 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -7.316 2.532 -5.814 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -8.861 0.699 -4.961 1.00 0.66 H new ATOM 258 N LEU A 13 -6.622 4.384 0.969 1.00 0.40 N ATOM 259 CA LEU A 13 -5.802 5.067 1.963 1.00 0.36 C ATOM 260 C LEU A 13 -6.633 5.859 2.967 1.00 0.34 C ATOM 261 O LEU A 13 -6.152 6.786 3.615 1.00 0.32 O ATOM 262 CB LEU A 13 -4.803 6.001 1.276 1.00 0.34 C ATOM 263 CG LEU A 13 -3.711 5.306 0.460 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.775 6.335 -0.154 1.00 1.13 C ATOM 265 CD2 LEU A 13 -2.930 4.326 1.325 1.00 0.84 C ATOM 0 H LEU A 13 -7.035 4.991 0.261 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.270 4.293 2.516 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -5.353 6.673 0.617 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.327 6.619 2.037 1.00 0.34 H new ATOM 0 HG LEU A 13 -4.189 4.745 -0.343 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -2.003 5.826 -0.732 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -3.341 6.997 -0.809 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -2.308 6.921 0.638 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.159 3.844 0.724 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -2.463 4.862 2.151 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.608 3.569 1.720 1.00 0.84 H new ATOM 277 N LYS A 14 -7.897 5.459 3.083 1.00 0.38 N ATOM 278 CA LYS A 14 -8.873 6.169 3.898 1.00 0.38 C ATOM 279 C LYS A 14 -8.577 6.040 5.391 1.00 0.35 C ATOM 280 O LYS A 14 -9.080 6.811 6.204 1.00 0.36 O ATOM 281 CB LYS A 14 -10.282 5.651 3.587 1.00 0.45 C ATOM 282 CG LYS A 14 -10.573 4.255 4.122 1.00 0.64 C ATOM 283 CD LYS A 14 -11.891 3.706 3.589 1.00 0.67 C ATOM 284 CE LYS A 14 -13.046 4.673 3.807 1.00 1.26 C ATOM 285 NZ LYS A 14 -14.351 4.091 3.388 1.00 1.69 N ATOM 0 H LYS A 14 -8.271 4.634 2.614 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.809 7.228 3.648 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -11.011 6.346 4.004 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.425 5.650 2.506 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.761 3.583 3.844 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.605 4.283 5.211 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -11.791 3.496 2.524 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -12.114 2.759 4.081 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -13.094 4.948 4.861 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -12.862 5.589 3.246 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -15.109 4.783 3.554 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -14.316 3.852 2.376 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -14.541 3.231 3.941 1.00 1.69 H new ATOM 299 N TRP A 15 -7.773 5.040 5.735 1.00 0.34 N ATOM 300 CA TRP A 15 -7.393 4.795 7.121 1.00 0.33 C ATOM 301 C TRP A 15 -6.331 5.794 7.586 1.00 0.29 C ATOM 302 O TRP A 15 -5.970 5.827 8.767 1.00 0.29 O ATOM 303 CB TRP A 15 -6.858 3.371 7.275 1.00 0.35 C ATOM 304 CG TRP A 15 -5.717 3.082 6.351 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.807 2.651 5.065 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.318 3.217 6.636 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.556 2.510 4.525 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.621 2.846 5.471 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.587 3.608 7.761 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -2.230 2.860 5.398 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.208 3.621 7.688 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.542 3.250 6.514 1.00 0.30 C ATOM 0 H TRP A 15 -7.370 4.382 5.068 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.281 4.920 7.740 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.535 3.218 8.305 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.663 2.662 7.085 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.731 2.449 4.544 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -4.353 2.205 3.573 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -4.092 3.895 8.672 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.714 2.573 4.494 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.634 3.923 8.551 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.463 3.272 6.489 1.00 0.30 H new ATOM 323 N LEU A 16 -5.827 6.605 6.662 1.00 0.28 N ATOM 324 CA LEU A 16 -4.923 7.686 7.018 1.00 0.26 C ATOM 325 C LEU A 16 -5.736 8.804 7.673 1.00 0.27 C ATOM 326 O LEU A 16 -6.857 9.107 7.264 1.00 0.31 O ATOM 327 CB LEU A 16 -4.188 8.228 5.781 1.00 0.25 C ATOM 328 CG LEU A 16 -3.215 7.258 5.084 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.755 7.835 3.756 1.00 0.26 C ATOM 330 CD2 LEU A 16 -1.998 6.971 5.957 1.00 0.30 C ATOM 0 H LEU A 16 -6.030 6.533 5.665 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.171 7.308 7.710 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -4.934 8.546 5.053 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.631 9.117 6.077 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.749 6.323 4.912 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -2.068 7.139 3.275 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.619 7.997 3.111 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.248 8.784 3.928 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.331 6.284 5.437 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.470 7.902 6.163 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.322 6.522 6.896 1.00 0.30 H new ATOM 342 N SER A 17 -5.141 9.395 8.695 1.00 0.27 N ATOM 343 CA SER A 17 -5.804 10.504 9.377 1.00 0.30 C ATOM 344 C SER A 17 -5.721 11.755 8.507 1.00 0.33 C ATOM 345 O SER A 17 -4.875 11.814 7.616 1.00 0.34 O ATOM 346 CB SER A 17 -5.176 10.753 10.747 1.00 0.31 C ATOM 347 OG SER A 17 -5.042 9.541 11.472 1.00 1.24 O ATOM 0 H SER A 17 -4.226 9.139 9.066 1.00 0.27 H new ATOM 0 HA SER A 17 -6.852 10.249 9.537 1.00 0.30 H new ATOM 0 HB2 SER A 17 -4.198 11.217 10.624 1.00 0.31 H new ATOM 0 HB3 SER A 17 -5.792 11.453 11.312 1.00 0.31 H new ATOM 0 HG SER A 17 -4.636 9.725 12.345 1.00 1.24 H new ATOM 353 N GLN A 18 -6.586 12.740 8.736 1.00 0.36 N ATOM 354 CA GLN A 18 -6.600 13.938 7.895 1.00 0.41 C ATOM 355 C GLN A 18 -5.210 14.569 7.843 1.00 0.41 C ATOM 356 O GLN A 18 -4.716 14.894 6.760 1.00 0.42 O ATOM 357 CB GLN A 18 -7.645 14.945 8.375 1.00 0.47 C ATOM 358 CG GLN A 18 -9.073 14.436 8.246 1.00 1.19 C ATOM 359 CD GLN A 18 -9.424 14.043 6.825 1.00 1.41 C ATOM 360 OE1 GLN A 18 -9.251 12.891 6.422 1.00 1.90 O ATOM 361 NE2 GLN A 18 -9.918 14.997 6.053 1.00 1.91 N ATOM 0 H GLN A 18 -7.278 12.736 9.485 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.879 13.638 6.885 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -7.448 15.194 9.418 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.542 15.867 7.802 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -9.209 13.576 8.901 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -9.763 15.208 8.587 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -10.046 15.938 6.424 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -10.171 14.791 5.087 1.00 1.91 H new ATOM 370 N GLU A 19 -4.592 14.745 9.009 1.00 0.41 N ATOM 371 CA GLU A 19 -3.267 15.311 9.085 1.00 0.42 C ATOM 372 C GLU A 19 -2.279 14.467 8.275 1.00 0.40 C ATOM 373 O GLU A 19 -1.340 15.000 7.688 1.00 0.42 O ATOM 374 CB GLU A 19 -2.843 15.424 10.543 1.00 0.41 C ATOM 375 CG GLU A 19 -2.717 14.096 11.270 1.00 1.18 C ATOM 376 CD GLU A 19 -2.201 14.269 12.684 1.00 1.79 C ATOM 377 OE1 GLU A 19 -0.987 14.497 12.857 1.00 2.01 O ATOM 378 OE2 GLU A 19 -3.010 14.168 13.632 1.00 2.49 O ATOM 0 H GLU A 19 -4.998 14.499 9.912 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.273 16.311 8.652 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -1.885 15.941 10.590 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -3.567 16.045 11.071 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -3.689 13.604 11.297 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -2.044 13.442 10.716 1.00 1.18 H new ATOM 385 N GLN A 20 -2.501 13.158 8.232 1.00 0.37 N ATOM 386 CA GLN A 20 -1.633 12.262 7.478 1.00 0.36 C ATOM 387 C GLN A 20 -1.887 12.445 5.986 1.00 0.38 C ATOM 388 O GLN A 20 -0.950 12.553 5.210 1.00 0.41 O ATOM 389 CB GLN A 20 -1.862 10.809 7.904 1.00 0.33 C ATOM 390 CG GLN A 20 -1.815 10.619 9.413 1.00 0.37 C ATOM 391 CD GLN A 20 -0.466 10.954 10.016 1.00 0.77 C ATOM 392 OE1 GLN A 20 -0.180 12.110 10.312 1.00 1.57 O ATOM 393 NE2 GLN A 20 0.349 9.944 10.247 1.00 1.04 N ATOM 0 H GLN A 20 -3.274 12.694 8.710 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.592 12.507 7.687 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.830 10.475 7.531 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.106 10.176 7.440 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -2.578 11.245 9.875 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -2.065 9.585 9.650 1.00 0.37 H new ATOM 0 HE21 GLN A 20 0.074 8.997 9.986 1.00 1.04 H new ATOM 0 HE22 GLN A 20 1.254 10.109 10.687 1.00 1.04 H new ATOM 402 N LYS A 21 -3.152 12.501 5.588 1.00 0.38 N ATOM 403 CA LYS A 21 -3.502 12.728 4.186 1.00 0.42 C ATOM 404 C LYS A 21 -2.848 14.012 3.686 1.00 0.42 C ATOM 405 O LYS A 21 -2.218 14.041 2.631 1.00 0.43 O ATOM 406 CB LYS A 21 -5.018 12.829 4.011 1.00 0.47 C ATOM 407 CG LYS A 21 -5.777 11.562 4.362 1.00 0.56 C ATOM 408 CD LYS A 21 -7.269 11.753 4.155 1.00 0.54 C ATOM 409 CE LYS A 21 -8.053 10.484 4.439 1.00 0.57 C ATOM 410 NZ LYS A 21 -9.518 10.707 4.318 1.00 0.95 N ATOM 0 H LYS A 21 -3.952 12.393 6.211 1.00 0.38 H new ATOM 0 HA LYS A 21 -3.138 11.881 3.605 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.389 13.644 4.632 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.235 13.093 2.976 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.422 10.737 3.744 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.581 11.291 5.399 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.625 12.552 4.805 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.454 12.071 3.129 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -7.745 9.702 3.745 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.820 10.129 5.443 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -10.023 9.829 4.552 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -9.810 11.459 4.974 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.747 10.989 3.344 1.00 0.95 H new ATOM 424 N ASP A 22 -2.993 15.062 4.480 1.00 0.44 N ATOM 425 CA ASP A 22 -2.409 16.367 4.179 1.00 0.46 C ATOM 426 C ASP A 22 -0.883 16.314 4.220 1.00 0.46 C ATOM 427 O ASP A 22 -0.225 17.044 3.476 1.00 0.48 O ATOM 428 CB ASP A 22 -2.904 17.383 5.215 1.00 0.49 C ATOM 429 CG ASP A 22 -2.377 18.779 4.970 1.00 0.58 C ATOM 430 OD1 ASP A 22 -2.944 19.495 4.120 1.00 0.67 O ATOM 431 OD2 ASP A 22 -1.388 19.165 5.628 1.00 0.64 O ATOM 0 H ASP A 22 -3.519 15.037 5.353 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.715 16.660 3.175 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -3.994 17.404 5.203 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.602 17.056 6.210 1.00 0.49 H new ATOM 436 N GLU A 23 -0.319 15.450 5.047 1.00 0.44 N ATOM 437 CA GLU A 23 1.101 15.173 5.019 1.00 0.45 C ATOM 438 C GLU A 23 1.508 14.565 3.678 1.00 0.42 C ATOM 439 O GLU A 23 2.408 15.074 3.005 1.00 0.44 O ATOM 440 CB GLU A 23 1.428 14.216 6.153 1.00 0.47 C ATOM 441 CG GLU A 23 2.895 13.917 6.282 1.00 0.71 C ATOM 442 CD GLU A 23 3.718 15.136 6.635 1.00 0.97 C ATOM 443 OE1 GLU A 23 3.528 15.687 7.735 1.00 1.43 O ATOM 444 OE2 GLU A 23 4.566 15.548 5.817 1.00 1.40 O ATOM 0 H GLU A 23 -0.834 14.924 5.753 1.00 0.44 H new ATOM 0 HA GLU A 23 1.656 16.103 5.144 1.00 0.45 H new ATOM 0 HB2 GLU A 23 1.068 14.640 7.090 1.00 0.47 H new ATOM 0 HB3 GLU A 23 0.888 13.282 5.997 1.00 0.47 H new ATOM 0 HG2 GLU A 23 3.039 13.154 7.047 1.00 0.71 H new ATOM 0 HG3 GLU A 23 3.259 13.499 5.343 1.00 0.71 H new ATOM 451 N LEU A 24 0.844 13.482 3.287 1.00 0.40 N ATOM 452 CA LEU A 24 1.167 12.765 2.058 1.00 0.39 C ATOM 453 C LEU A 24 0.982 13.664 0.832 1.00 0.39 C ATOM 454 O LEU A 24 1.826 13.684 -0.067 1.00 0.41 O ATOM 455 CB LEU A 24 0.278 11.518 1.937 1.00 0.38 C ATOM 456 CG LEU A 24 0.651 10.306 2.816 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.801 9.520 2.225 1.00 1.16 C ATOM 458 CD2 LEU A 24 1.011 10.704 4.229 1.00 1.33 C ATOM 0 H LEU A 24 0.069 13.077 3.812 1.00 0.40 H new ATOM 0 HA LEU A 24 2.213 12.462 2.100 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.746 11.807 2.175 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.285 11.196 0.896 1.00 0.38 H new ATOM 0 HG LEU A 24 -0.242 9.681 2.846 1.00 0.50 H new ATOM 0 HD11 LEU A 24 2.035 8.675 2.872 1.00 1.16 H new ATOM 0 HD12 LEU A 24 1.522 9.154 1.237 1.00 1.16 H new ATOM 0 HD13 LEU A 24 2.676 10.164 2.140 1.00 1.16 H new ATOM 0 HD21 LEU A 24 1.265 9.814 4.804 1.00 1.33 H new ATOM 0 HD22 LEU A 24 1.866 11.380 4.210 1.00 1.33 H new ATOM 0 HD23 LEU A 24 0.162 11.206 4.693 1.00 1.33 H new ATOM 470 N LEU A 25 -0.123 14.409 0.806 1.00 0.40 N ATOM 471 CA LEU A 25 -0.415 15.325 -0.295 1.00 0.43 C ATOM 472 C LEU A 25 0.660 16.401 -0.420 1.00 0.46 C ATOM 473 O LEU A 25 1.045 16.780 -1.528 1.00 0.48 O ATOM 474 CB LEU A 25 -1.788 15.971 -0.102 1.00 0.45 C ATOM 475 CG LEU A 25 -2.977 15.010 -0.194 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.286 15.755 0.012 1.00 1.02 C ATOM 477 CD2 LEU A 25 -2.977 14.289 -1.535 1.00 1.06 C ATOM 0 H LEU A 25 -0.833 14.395 1.538 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.423 14.745 -1.218 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -1.809 16.458 0.873 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -1.913 16.752 -0.852 1.00 0.45 H new ATOM 0 HG LEU A 25 -2.879 14.267 0.597 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -5.118 15.054 -0.057 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.287 16.224 0.996 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.393 16.522 -0.755 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -3.829 13.610 -1.583 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -3.049 15.019 -2.341 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -2.053 13.720 -1.642 1.00 1.06 H new ATOM 489 N LYS A 26 1.151 16.872 0.720 1.00 0.47 N ATOM 490 CA LYS A 26 2.176 17.905 0.748 1.00 0.51 C ATOM 491 C LYS A 26 3.458 17.393 0.116 1.00 0.49 C ATOM 492 O LYS A 26 4.103 18.098 -0.654 1.00 0.51 O ATOM 493 CB LYS A 26 2.442 18.356 2.188 1.00 0.56 C ATOM 494 CG LYS A 26 3.431 19.509 2.300 1.00 0.93 C ATOM 495 CD LYS A 26 2.940 20.746 1.562 1.00 1.62 C ATOM 496 CE LYS A 26 3.912 21.906 1.702 1.00 2.50 C ATOM 497 NZ LYS A 26 3.459 23.106 0.949 1.00 3.24 N ATOM 0 H LYS A 26 0.853 16.552 1.641 1.00 0.47 H new ATOM 0 HA LYS A 26 1.819 18.761 0.175 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.498 18.654 2.645 1.00 0.56 H new ATOM 0 HB3 LYS A 26 2.820 17.509 2.760 1.00 0.56 H new ATOM 0 HG2 LYS A 26 3.590 19.751 3.351 1.00 0.93 H new ATOM 0 HG3 LYS A 26 4.395 19.202 1.894 1.00 0.93 H new ATOM 0 HD2 LYS A 26 2.804 20.510 0.507 1.00 1.62 H new ATOM 0 HD3 LYS A 26 1.965 21.039 1.951 1.00 1.62 H new ATOM 0 HE2 LYS A 26 4.024 22.160 2.756 1.00 2.50 H new ATOM 0 HE3 LYS A 26 4.895 21.601 1.342 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 4.150 23.874 1.071 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 3.377 22.872 -0.061 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 2.533 23.413 1.310 1.00 3.24 H new ATOM 511 N MET A 27 3.810 16.156 0.429 1.00 0.47 N ATOM 512 CA MET A 27 4.990 15.539 -0.158 1.00 0.47 C ATOM 513 C MET A 27 4.871 15.409 -1.673 1.00 0.47 C ATOM 514 O MET A 27 5.762 15.844 -2.401 1.00 0.49 O ATOM 515 CB MET A 27 5.264 14.169 0.469 1.00 0.49 C ATOM 516 CG MET A 27 5.469 14.220 1.975 1.00 0.50 C ATOM 517 SD MET A 27 6.608 12.955 2.578 1.00 0.92 S ATOM 518 CE MET A 27 5.886 11.472 1.883 1.00 0.79 C ATOM 0 H MET A 27 3.299 15.562 1.082 1.00 0.47 H new ATOM 0 HA MET A 27 5.832 16.198 0.056 1.00 0.47 H new ATOM 0 HB2 MET A 27 4.430 13.503 0.246 1.00 0.49 H new ATOM 0 HB3 MET A 27 6.150 13.736 0.004 1.00 0.49 H new ATOM 0 HG2 MET A 27 5.849 15.204 2.251 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.506 14.100 2.471 1.00 0.50 H new ATOM 0 HE1 MET A 27 6.322 10.596 2.363 1.00 0.79 H new ATOM 0 HE2 MET A 27 4.809 11.479 2.050 1.00 0.79 H new ATOM 0 HE3 MET A 27 6.087 11.437 0.812 1.00 0.79 H new ATOM 528 N LYS A 28 3.764 14.847 -2.151 1.00 0.45 N ATOM 529 CA LYS A 28 3.549 14.668 -3.586 1.00 0.49 C ATOM 530 C LYS A 28 3.609 16.018 -4.311 1.00 0.54 C ATOM 531 O LYS A 28 4.221 16.139 -5.372 1.00 0.58 O ATOM 532 CB LYS A 28 2.189 13.988 -3.814 1.00 0.50 C ATOM 533 CG LYS A 28 2.009 13.358 -5.195 1.00 0.79 C ATOM 534 CD LYS A 28 1.740 14.391 -6.277 1.00 1.41 C ATOM 535 CE LYS A 28 1.595 13.745 -7.644 1.00 1.82 C ATOM 536 NZ LYS A 28 1.362 14.751 -8.711 1.00 2.44 N ATOM 0 H LYS A 28 3.001 14.507 -1.566 1.00 0.45 H new ATOM 0 HA LYS A 28 4.338 14.035 -3.993 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.054 13.215 -3.057 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.400 14.725 -3.661 1.00 0.50 H new ATOM 0 HG2 LYS A 28 2.905 12.793 -5.452 1.00 0.79 H new ATOM 0 HG3 LYS A 28 1.183 12.648 -5.162 1.00 0.79 H new ATOM 0 HD2 LYS A 28 0.831 14.942 -6.036 1.00 1.41 H new ATOM 0 HD3 LYS A 28 2.555 15.115 -6.301 1.00 1.41 H new ATOM 0 HE2 LYS A 28 2.495 13.175 -7.873 1.00 1.82 H new ATOM 0 HE3 LYS A 28 0.766 13.038 -7.625 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 1.269 14.269 -9.628 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 0.489 15.278 -8.506 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 2.165 15.411 -8.747 1.00 2.44 H new ATOM 550 N LYS A 29 3.007 17.035 -3.706 1.00 0.55 N ATOM 551 CA LYS A 29 2.960 18.361 -4.316 1.00 0.62 C ATOM 552 C LYS A 29 4.305 19.081 -4.236 1.00 0.64 C ATOM 553 O LYS A 29 4.650 19.856 -5.130 1.00 0.72 O ATOM 554 CB LYS A 29 1.871 19.211 -3.663 1.00 0.62 C ATOM 555 CG LYS A 29 1.672 20.560 -4.340 1.00 1.13 C ATOM 556 CD LYS A 29 0.573 21.372 -3.678 1.00 1.57 C ATOM 557 CE LYS A 29 -0.786 20.712 -3.829 1.00 2.08 C ATOM 558 NZ LYS A 29 -1.857 21.512 -3.185 1.00 2.69 N ATOM 0 H LYS A 29 2.546 16.969 -2.798 1.00 0.55 H new ATOM 0 HA LYS A 29 2.725 18.220 -5.371 1.00 0.62 H new ATOM 0 HB2 LYS A 29 0.930 18.661 -3.682 1.00 0.62 H new ATOM 0 HB3 LYS A 29 2.125 19.372 -2.615 1.00 0.62 H new ATOM 0 HG2 LYS A 29 2.606 21.122 -4.310 1.00 1.13 H new ATOM 0 HG3 LYS A 29 1.426 20.406 -5.391 1.00 1.13 H new ATOM 0 HD2 LYS A 29 0.801 21.496 -2.619 1.00 1.57 H new ATOM 0 HD3 LYS A 29 0.543 22.369 -4.117 1.00 1.57 H new ATOM 0 HE2 LYS A 29 -1.013 20.584 -4.887 1.00 2.08 H new ATOM 0 HE3 LYS A 29 -0.759 19.716 -3.386 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -2.771 21.031 -3.308 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -1.652 21.613 -2.170 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -1.899 22.453 -3.625 1.00 2.69 H new ATOM 572 N ASP A 30 5.072 18.819 -3.187 1.00 0.62 N ATOM 573 CA ASP A 30 6.348 19.511 -2.995 1.00 0.66 C ATOM 574 C ASP A 30 7.436 18.871 -3.860 1.00 0.65 C ATOM 575 O ASP A 30 8.597 19.284 -3.865 1.00 0.69 O ATOM 576 CB ASP A 30 6.741 19.503 -1.514 1.00 0.67 C ATOM 577 CG ASP A 30 7.907 20.413 -1.197 1.00 1.33 C ATOM 578 OD1 ASP A 30 7.737 21.649 -1.242 1.00 1.32 O ATOM 579 OD2 ASP A 30 9.012 19.896 -0.939 1.00 2.14 O ATOM 0 H ASP A 30 4.841 18.141 -2.461 1.00 0.62 H new ATOM 0 HA ASP A 30 6.237 20.549 -3.308 1.00 0.66 H new ATOM 0 HB2 ASP A 30 5.881 19.805 -0.916 1.00 0.67 H new ATOM 0 HB3 ASP A 30 6.993 18.485 -1.218 1.00 0.67 H new ATOM 584 N GLY A 31 7.011 17.867 -4.612 1.00 0.62 N ATOM 585 CA GLY A 31 7.888 17.255 -5.583 1.00 0.62 C ATOM 586 C GLY A 31 8.675 16.115 -4.999 1.00 0.61 C ATOM 587 O GLY A 31 9.695 15.704 -5.555 1.00 0.63 O ATOM 0 H GLY A 31 6.074 17.466 -4.566 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.298 16.893 -6.425 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.575 18.006 -5.974 1.00 0.62 H new ATOM 591 N LYS A 32 8.202 15.600 -3.876 1.00 0.59 N ATOM 592 CA LYS A 32 8.802 14.431 -3.283 1.00 0.58 C ATOM 593 C LYS A 32 8.523 13.243 -4.179 1.00 0.56 C ATOM 594 O LYS A 32 7.507 13.205 -4.881 1.00 0.55 O ATOM 595 CB LYS A 32 8.261 14.183 -1.873 1.00 0.57 C ATOM 596 CG LYS A 32 8.596 15.288 -0.879 1.00 0.63 C ATOM 597 CD LYS A 32 10.096 15.486 -0.748 1.00 0.76 C ATOM 598 CE LYS A 32 10.439 16.499 0.331 1.00 1.15 C ATOM 599 NZ LYS A 32 11.904 16.737 0.417 1.00 1.65 N ATOM 0 H LYS A 32 7.405 15.977 -3.362 1.00 0.59 H new ATOM 0 HA LYS A 32 9.877 14.584 -3.191 1.00 0.58 H new ATOM 0 HB2 LYS A 32 7.178 14.071 -1.925 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.662 13.240 -1.501 1.00 0.57 H new ATOM 0 HG2 LYS A 32 8.132 16.220 -1.201 1.00 0.63 H new ATOM 0 HG3 LYS A 32 8.174 15.042 0.096 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.570 14.532 -0.515 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.503 15.819 -1.702 1.00 0.76 H new ATOM 0 HE2 LYS A 32 9.929 17.440 0.122 1.00 1.15 H new ATOM 0 HE3 LYS A 32 10.071 16.144 1.294 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 12.099 17.434 1.164 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 12.388 15.844 0.641 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 12.251 17.100 -0.494 1.00 1.65 H new ATOM 613 N ALA A 33 9.421 12.291 -4.164 1.00 0.56 N ATOM 614 CA ALA A 33 9.296 11.110 -4.996 1.00 0.55 C ATOM 615 C ALA A 33 8.164 10.233 -4.498 1.00 0.52 C ATOM 616 O ALA A 33 7.844 10.233 -3.309 1.00 0.50 O ATOM 617 CB ALA A 33 10.595 10.321 -5.016 1.00 0.59 C ATOM 0 H ALA A 33 10.257 12.307 -3.580 1.00 0.56 H new ATOM 0 HA ALA A 33 9.074 11.434 -6.013 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.476 9.440 -5.647 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.394 10.946 -5.413 1.00 0.59 H new ATOM 0 HB3 ALA A 33 10.847 10.010 -4.002 1.00 0.59 H new ATOM 623 N LYS A 34 7.563 9.482 -5.405 1.00 0.53 N ATOM 624 CA LYS A 34 6.531 8.531 -5.040 1.00 0.51 C ATOM 625 C LYS A 34 7.096 7.530 -4.032 1.00 0.51 C ATOM 626 O LYS A 34 6.399 7.079 -3.128 1.00 0.48 O ATOM 627 CB LYS A 34 6.012 7.816 -6.290 1.00 0.56 C ATOM 628 CG LYS A 34 4.592 7.286 -6.132 1.00 1.21 C ATOM 629 CD LYS A 34 4.092 6.611 -7.400 1.00 1.64 C ATOM 630 CE LYS A 34 4.776 5.275 -7.634 1.00 2.21 C ATOM 631 NZ LYS A 34 4.465 4.301 -6.556 1.00 2.97 N ATOM 0 H LYS A 34 7.774 9.514 -6.402 1.00 0.53 H new ATOM 0 HA LYS A 34 5.694 9.056 -4.579 1.00 0.51 H new ATOM 0 HB2 LYS A 34 6.044 8.505 -7.134 1.00 0.56 H new ATOM 0 HB3 LYS A 34 6.678 6.987 -6.529 1.00 0.56 H new ATOM 0 HG2 LYS A 34 4.560 6.575 -5.306 1.00 1.21 H new ATOM 0 HG3 LYS A 34 3.925 8.108 -5.871 1.00 1.21 H new ATOM 0 HD2 LYS A 34 3.015 6.461 -7.331 1.00 1.64 H new ATOM 0 HD3 LYS A 34 4.269 7.265 -8.254 1.00 1.64 H new ATOM 0 HE2 LYS A 34 4.460 4.868 -8.594 1.00 2.21 H new ATOM 0 HE3 LYS A 34 5.854 5.423 -7.690 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 5.316 3.747 -6.333 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 4.152 4.812 -5.706 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 3.709 3.661 -6.874 1.00 2.97 H new ATOM 645 N LYS A 35 8.386 7.219 -4.185 1.00 0.54 N ATOM 646 CA LYS A 35 9.102 6.350 -3.249 1.00 0.56 C ATOM 647 C LYS A 35 9.020 6.878 -1.816 1.00 0.53 C ATOM 648 O LYS A 35 9.198 6.125 -0.861 1.00 0.55 O ATOM 649 CB LYS A 35 10.577 6.231 -3.649 1.00 0.61 C ATOM 650 CG LYS A 35 10.830 5.376 -4.883 1.00 1.17 C ATOM 651 CD LYS A 35 10.342 3.945 -4.695 1.00 1.56 C ATOM 652 CE LYS A 35 10.982 3.276 -3.490 1.00 2.18 C ATOM 653 NZ LYS A 35 10.445 1.908 -3.269 1.00 2.82 N ATOM 0 H LYS A 35 8.960 7.560 -4.956 1.00 0.54 H new ATOM 0 HA LYS A 35 8.625 5.371 -3.291 1.00 0.56 H new ATOM 0 HB2 LYS A 35 10.974 7.230 -3.828 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.135 5.812 -2.812 1.00 0.61 H new ATOM 0 HG2 LYS A 35 10.327 5.821 -5.742 1.00 1.17 H new ATOM 0 HG3 LYS A 35 11.897 5.369 -5.107 1.00 1.17 H new ATOM 0 HD2 LYS A 35 9.258 3.945 -4.576 1.00 1.56 H new ATOM 0 HD3 LYS A 35 10.565 3.366 -5.591 1.00 1.56 H new ATOM 0 HE2 LYS A 35 12.061 3.224 -3.634 1.00 2.18 H new ATOM 0 HE3 LYS A 35 10.807 3.883 -2.602 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 10.906 1.484 -2.438 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 9.419 1.960 -3.107 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 10.634 1.321 -4.107 1.00 2.82 H new ATOM 667 N GLU A 36 8.759 8.167 -1.668 1.00 0.51 N ATOM 668 CA GLU A 36 8.684 8.780 -0.354 1.00 0.50 C ATOM 669 C GLU A 36 7.291 8.601 0.239 1.00 0.44 C ATOM 670 O GLU A 36 7.084 8.585 1.452 1.00 0.45 O ATOM 671 CB GLU A 36 9.072 10.251 -0.437 1.00 0.53 C ATOM 672 CG GLU A 36 10.451 10.439 -1.041 1.00 0.61 C ATOM 673 CD GLU A 36 10.986 11.848 -0.899 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.298 12.257 0.240 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.129 12.539 -1.929 1.00 0.66 O ATOM 0 H GLU A 36 8.595 8.809 -2.444 1.00 0.51 H new ATOM 0 HA GLU A 36 9.391 8.284 0.311 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.337 10.787 -1.037 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.050 10.689 0.561 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.145 9.746 -0.565 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.414 10.178 -2.099 1.00 0.61 H new ATOM 682 N LEU A 37 6.356 8.416 -0.685 1.00 0.39 N ATOM 683 CA LEU A 37 4.971 8.154 -0.339 1.00 0.36 C ATOM 684 C LEU A 37 4.783 6.694 0.062 1.00 0.36 C ATOM 685 O LEU A 37 4.130 6.402 1.065 1.00 0.35 O ATOM 686 CB LEU A 37 4.076 8.523 -1.517 1.00 0.37 C ATOM 687 CG LEU A 37 4.222 9.973 -1.983 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.536 10.174 -3.317 1.00 1.22 C ATOM 689 CD2 LEU A 37 3.655 10.931 -0.949 1.00 1.01 C ATOM 0 H LEU A 37 6.538 8.444 -1.688 1.00 0.39 H new ATOM 0 HA LEU A 37 4.691 8.766 0.518 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.301 7.860 -2.352 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.037 8.345 -1.240 1.00 0.37 H new ATOM 0 HG LEU A 37 5.284 10.185 -2.103 1.00 0.41 H new ATOM 0 HD11 LEU A 37 3.650 11.211 -3.632 1.00 1.22 H new ATOM 0 HD12 LEU A 37 3.987 9.517 -4.061 1.00 1.22 H new ATOM 0 HD13 LEU A 37 2.476 9.939 -3.220 1.00 1.22 H new ATOM 0 HD21 LEU A 37 3.770 11.956 -1.301 1.00 1.01 H new ATOM 0 HD22 LEU A 37 2.598 10.716 -0.795 1.00 1.01 H new ATOM 0 HD23 LEU A 37 4.191 10.809 -0.008 1.00 1.01 H new ATOM 701 N GLU A 38 5.395 5.783 -0.696 1.00 0.39 N ATOM 702 CA GLU A 38 5.374 4.362 -0.346 1.00 0.43 C ATOM 703 C GLU A 38 6.134 4.117 0.943 1.00 0.43 C ATOM 704 O GLU A 38 5.962 3.100 1.586 1.00 0.45 O ATOM 705 CB GLU A 38 5.957 3.478 -1.444 1.00 0.57 C ATOM 706 CG GLU A 38 5.002 3.214 -2.591 1.00 1.35 C ATOM 707 CD GLU A 38 5.094 4.260 -3.675 1.00 2.06 C ATOM 708 OE1 GLU A 38 6.175 4.416 -4.272 1.00 2.72 O ATOM 709 OE2 GLU A 38 4.087 4.960 -3.909 1.00 2.49 O ATOM 0 H GLU A 38 5.908 6.001 -1.550 1.00 0.39 H new ATOM 0 HA GLU A 38 4.325 4.094 -0.219 1.00 0.43 H new ATOM 0 HB2 GLU A 38 6.859 3.949 -1.836 1.00 0.57 H new ATOM 0 HB3 GLU A 38 6.258 2.525 -1.008 1.00 0.57 H new ATOM 0 HG2 GLU A 38 5.215 2.234 -3.018 1.00 1.35 H new ATOM 0 HG3 GLU A 38 3.982 3.181 -2.209 1.00 1.35 H new ATOM 716 N ALA A 39 6.945 5.075 1.329 1.00 0.43 N ATOM 717 CA ALA A 39 7.745 4.952 2.533 1.00 0.45 C ATOM 718 C ALA A 39 7.021 5.470 3.756 1.00 0.42 C ATOM 719 O ALA A 39 7.062 4.867 4.828 1.00 0.44 O ATOM 720 CB ALA A 39 9.069 5.676 2.361 1.00 0.49 C ATOM 0 H ALA A 39 7.071 5.953 0.826 1.00 0.43 H new ATOM 0 HA ALA A 39 7.931 3.890 2.691 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.659 5.576 3.272 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.616 5.241 1.524 1.00 0.49 H new ATOM 0 HB3 ALA A 39 8.883 6.732 2.163 1.00 0.49 H new ATOM 726 N LYS A 40 6.342 6.589 3.568 1.00 0.39 N ATOM 727 CA LYS A 40 5.536 7.184 4.610 1.00 0.37 C ATOM 728 C LYS A 40 4.364 6.270 4.966 1.00 0.31 C ATOM 729 O LYS A 40 4.109 6.008 6.141 1.00 0.31 O ATOM 730 CB LYS A 40 5.024 8.548 4.146 1.00 0.41 C ATOM 731 CG LYS A 40 4.424 9.385 5.257 1.00 0.79 C ATOM 732 CD LYS A 40 5.473 9.803 6.276 1.00 0.64 C ATOM 733 CE LYS A 40 6.419 10.853 5.716 1.00 0.74 C ATOM 734 NZ LYS A 40 7.373 11.343 6.743 1.00 1.34 N ATOM 0 H LYS A 40 6.337 7.107 2.689 1.00 0.39 H new ATOM 0 HA LYS A 40 6.149 7.316 5.502 1.00 0.37 H new ATOM 0 HB2 LYS A 40 5.847 9.100 3.692 1.00 0.41 H new ATOM 0 HB3 LYS A 40 4.273 8.399 3.370 1.00 0.41 H new ATOM 0 HG2 LYS A 40 3.956 10.273 4.832 1.00 0.79 H new ATOM 0 HG3 LYS A 40 3.638 8.818 5.756 1.00 0.79 H new ATOM 0 HD2 LYS A 40 4.980 10.196 7.165 1.00 0.64 H new ATOM 0 HD3 LYS A 40 6.044 8.929 6.589 1.00 0.64 H new ATOM 0 HE2 LYS A 40 6.973 10.432 4.877 1.00 0.74 H new ATOM 0 HE3 LYS A 40 5.841 11.692 5.327 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 8.000 12.057 6.321 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 6.846 11.768 7.532 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 7.942 10.547 7.096 1.00 1.34 H new ATOM 748 N ILE A 41 3.668 5.767 3.946 1.00 0.29 N ATOM 749 CA ILE A 41 2.513 4.914 4.157 1.00 0.26 C ATOM 750 C ILE A 41 2.927 3.573 4.742 1.00 0.27 C ATOM 751 O ILE A 41 2.301 3.075 5.671 1.00 0.27 O ATOM 752 CB ILE A 41 1.750 4.690 2.840 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.230 6.025 2.314 1.00 0.33 C ATOM 754 CG2 ILE A 41 0.604 3.712 3.038 1.00 0.33 C ATOM 755 CD1 ILE A 41 0.667 5.942 0.919 1.00 0.39 C ATOM 0 H ILE A 41 3.890 5.940 2.966 1.00 0.29 H new ATOM 0 HA ILE A 41 1.856 5.419 4.865 1.00 0.26 H new ATOM 0 HB ILE A 41 2.433 4.260 2.108 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.458 6.396 2.988 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.041 6.753 2.327 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.080 3.570 2.093 1.00 0.33 H new ATOM 0 HG22 ILE A 41 0.997 2.755 3.382 1.00 0.33 H new ATOM 0 HG23 ILE A 41 -0.088 4.108 3.781 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.316 6.926 0.609 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.443 5.601 0.233 1.00 0.39 H new ATOM 0 HD13 ILE A 41 -0.166 5.239 0.904 1.00 0.39 H new ATOM 767 N LEU A 42 3.993 2.998 4.200 1.00 0.31 N ATOM 768 CA LEU A 42 4.516 1.737 4.702 1.00 0.35 C ATOM 769 C LEU A 42 4.954 1.857 6.154 1.00 0.35 C ATOM 770 O LEU A 42 4.787 0.922 6.940 1.00 0.38 O ATOM 771 CB LEU A 42 5.687 1.261 3.841 1.00 0.39 C ATOM 772 CG LEU A 42 5.292 0.519 2.561 1.00 0.40 C ATOM 773 CD1 LEU A 42 6.525 -0.005 1.847 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.328 -0.613 2.871 1.00 0.40 C ATOM 0 H LEU A 42 4.512 3.386 3.412 1.00 0.31 H new ATOM 0 HA LEU A 42 3.713 1.002 4.648 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.293 2.125 3.569 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.317 0.606 4.442 1.00 0.39 H new ATOM 0 HG LEU A 42 4.786 1.223 1.900 1.00 0.40 H new ATOM 0 HD11 LEU A 42 6.225 -0.529 0.940 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.176 0.829 1.585 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.061 -0.692 2.502 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.061 -1.126 1.947 1.00 0.40 H new ATOM 0 HD22 LEU A 42 4.802 -1.318 3.554 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.428 -0.208 3.334 1.00 0.40 H new ATOM 786 N HIS A 43 5.502 3.013 6.511 1.00 0.35 N ATOM 787 CA HIS A 43 5.853 3.276 7.898 1.00 0.37 C ATOM 788 C HIS A 43 4.593 3.340 8.757 1.00 0.35 C ATOM 789 O HIS A 43 4.523 2.682 9.792 1.00 0.40 O ATOM 790 CB HIS A 43 6.648 4.575 8.040 1.00 0.40 C ATOM 791 CG HIS A 43 7.291 4.717 9.385 1.00 0.49 C ATOM 792 ND1 HIS A 43 6.843 5.590 10.354 1.00 1.17 N ATOM 793 CD2 HIS A 43 8.359 4.083 9.922 1.00 1.23 C ATOM 794 CE1 HIS A 43 7.607 5.486 11.425 1.00 0.93 C ATOM 795 NE2 HIS A 43 8.533 4.579 11.189 1.00 0.92 N ATOM 0 H HIS A 43 5.710 3.775 5.865 1.00 0.35 H new ATOM 0 HA HIS A 43 6.484 2.456 8.242 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.417 4.611 7.269 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.984 5.423 7.868 1.00 0.40 H new ATOM 0 HD2 HIS A 43 8.962 3.327 9.442 1.00 1.23 H new ATOM 0 HE1 HIS A 43 7.493 6.049 12.340 1.00 0.93 H new ATOM 0 HE2 HIS A 43 9.261 4.292 11.843 1.00 0.92 H new ATOM 804 N TYR A 44 3.597 4.120 8.317 1.00 0.30 N ATOM 805 CA TYR A 44 2.323 4.219 9.031 1.00 0.30 C ATOM 806 C TYR A 44 1.692 2.845 9.183 1.00 0.32 C ATOM 807 O TYR A 44 1.148 2.503 10.230 1.00 0.40 O ATOM 808 CB TYR A 44 1.345 5.127 8.289 1.00 0.31 C ATOM 809 CG TYR A 44 1.760 6.572 8.242 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.571 7.108 9.228 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.353 7.398 7.203 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.963 8.427 9.187 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.740 8.714 7.151 1.00 0.50 C ATOM 814 CZ TYR A 44 2.503 9.242 8.161 1.00 0.58 C ATOM 815 OH TYR A 44 2.941 10.548 8.092 1.00 0.68 O ATOM 0 H TYR A 44 3.651 4.689 7.472 1.00 0.30 H new ATOM 0 HA TYR A 44 2.531 4.643 10.013 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.229 4.761 7.269 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.368 5.057 8.766 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.902 6.481 10.043 1.00 0.42 H new ATOM 0 HD2 TYR A 44 0.722 6.999 6.423 1.00 0.40 H new ATOM 0 HE1 TYR A 44 3.622 8.824 9.945 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.444 9.332 6.316 1.00 0.50 H new ATOM 0 HH TYR A 44 2.531 10.990 7.319 1.00 0.68 H new ATOM 825 N TYR A 45 1.778 2.079 8.112 1.00 0.30 N ATOM 826 CA TYR A 45 1.257 0.731 8.058 1.00 0.33 C ATOM 827 C TYR A 45 1.908 -0.157 9.116 1.00 0.40 C ATOM 828 O TYR A 45 1.227 -0.871 9.856 1.00 0.42 O ATOM 829 CB TYR A 45 1.516 0.176 6.653 1.00 0.35 C ATOM 830 CG TYR A 45 1.150 -1.265 6.473 1.00 0.40 C ATOM 831 CD1 TYR A 45 -0.175 -1.652 6.525 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.116 -2.230 6.256 1.00 0.49 C ATOM 833 CE1 TYR A 45 -0.534 -2.969 6.368 1.00 0.46 C ATOM 834 CE2 TYR A 45 1.765 -3.552 6.095 1.00 0.54 C ATOM 835 CZ TYR A 45 0.514 -3.933 6.126 1.00 0.53 C ATOM 836 OH TYR A 45 0.074 -5.232 5.990 1.00 0.58 O ATOM 0 H TYR A 45 2.219 2.382 7.244 1.00 0.30 H new ATOM 0 HA TYR A 45 0.187 0.744 8.267 1.00 0.33 H new ATOM 0 HB2 TYR A 45 0.956 0.772 5.933 1.00 0.35 H new ATOM 0 HB3 TYR A 45 2.573 0.301 6.417 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.940 -0.908 6.692 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.157 -1.944 6.212 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -1.568 -3.274 6.424 1.00 0.46 H new ATOM 0 HE2 TYR A 45 2.539 -4.289 5.940 1.00 0.54 H new ATOM 0 HH TYR A 45 -0.829 -5.312 6.362 1.00 0.58 H new ATOM 846 N ASP A 46 3.223 -0.088 9.209 1.00 0.43 N ATOM 847 CA ASP A 46 3.966 -0.999 10.067 1.00 0.51 C ATOM 848 C ASP A 46 3.858 -0.588 11.539 1.00 0.53 C ATOM 849 O ASP A 46 4.122 -1.392 12.436 1.00 0.60 O ATOM 850 CB ASP A 46 5.428 -1.063 9.625 1.00 0.58 C ATOM 851 CG ASP A 46 6.098 -2.374 9.973 1.00 0.90 C ATOM 852 OD1 ASP A 46 6.603 -2.515 11.105 1.00 1.14 O ATOM 853 OD2 ASP A 46 6.131 -3.274 9.106 1.00 1.20 O ATOM 0 H ASP A 46 3.799 0.586 8.704 1.00 0.43 H new ATOM 0 HA ASP A 46 3.528 -1.993 9.971 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.482 -0.909 8.547 1.00 0.58 H new ATOM 0 HB3 ASP A 46 5.978 -0.246 10.092 1.00 0.58 H new ATOM 858 N GLU A 47 3.438 0.649 11.790 1.00 0.49 N ATOM 859 CA GLU A 47 3.271 1.133 13.154 1.00 0.51 C ATOM 860 C GLU A 47 1.803 1.084 13.581 1.00 0.49 C ATOM 861 O GLU A 47 1.434 1.667 14.601 1.00 0.58 O ATOM 862 CB GLU A 47 3.778 2.568 13.275 1.00 0.53 C ATOM 863 CG GLU A 47 3.088 3.526 12.332 1.00 1.21 C ATOM 864 CD GLU A 47 3.376 4.976 12.642 1.00 1.73 C ATOM 865 OE1 GLU A 47 4.495 5.448 12.352 1.00 2.22 O ATOM 866 OE2 GLU A 47 2.478 5.656 13.180 1.00 2.21 O ATOM 0 H GLU A 47 3.208 1.332 11.068 1.00 0.49 H new ATOM 0 HA GLU A 47 3.851 0.482 13.808 1.00 0.51 H new ATOM 0 HB2 GLU A 47 3.635 2.911 14.300 1.00 0.53 H new ATOM 0 HB3 GLU A 47 4.850 2.585 13.079 1.00 0.53 H new ATOM 0 HG2 GLU A 47 3.402 3.310 11.311 1.00 1.21 H new ATOM 0 HG3 GLU A 47 2.012 3.358 12.377 1.00 1.21 H new ATOM 873 N LEU A 48 0.965 0.409 12.798 1.00 0.44 N ATOM 874 CA LEU A 48 -0.463 0.349 13.067 1.00 0.46 C ATOM 875 C LEU A 48 -0.799 -0.436 14.341 1.00 0.69 C ATOM 876 O LEU A 48 0.063 -0.712 15.176 1.00 1.11 O ATOM 877 CB LEU A 48 -1.171 -0.230 11.834 1.00 0.37 C ATOM 878 CG LEU A 48 -1.271 0.732 10.659 1.00 0.36 C ATOM 879 CD1 LEU A 48 -1.945 0.061 9.480 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.033 1.977 11.071 1.00 0.47 C ATOM 0 H LEU A 48 1.256 -0.106 11.967 1.00 0.44 H new ATOM 0 HA LEU A 48 -0.823 1.361 13.255 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.639 -1.125 11.511 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -2.176 -0.542 12.120 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.265 1.022 10.356 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -2.008 0.763 8.649 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.364 -0.810 9.176 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.949 -0.254 9.766 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.100 2.660 10.224 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.037 1.699 11.393 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -1.511 2.468 11.892 1.00 0.47 H new ATOM 892 N GLU A 49 -2.054 -0.817 14.446 1.00 0.61 N ATOM 893 CA GLU A 49 -2.604 -1.383 15.668 1.00 0.86 C ATOM 894 C GLU A 49 -3.064 -2.813 15.409 1.00 0.61 C ATOM 895 O GLU A 49 -2.458 -3.523 14.609 1.00 1.16 O ATOM 896 CB GLU A 49 -3.773 -0.523 16.161 1.00 1.42 C ATOM 897 CG GLU A 49 -3.380 0.904 16.510 1.00 1.33 C ATOM 898 CD GLU A 49 -2.352 0.968 17.618 1.00 2.01 C ATOM 899 OE1 GLU A 49 -2.700 0.673 18.779 1.00 2.19 O ATOM 900 OE2 GLU A 49 -1.193 1.334 17.337 1.00 2.83 O ATOM 0 H GLU A 49 -2.728 -0.744 13.684 1.00 0.61 H new ATOM 0 HA GLU A 49 -1.834 -1.397 16.440 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -4.545 -0.500 15.392 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -4.213 -0.994 17.040 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -2.983 1.395 15.622 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -4.269 1.459 16.811 1.00 1.33 H new ATOM 907 N GLY A 50 -4.125 -3.236 16.084 1.00 0.74 N ATOM 908 CA GLY A 50 -4.654 -4.568 15.872 1.00 0.61 C ATOM 909 C GLY A 50 -5.514 -4.649 14.628 1.00 0.54 C ATOM 910 O GLY A 50 -5.029 -5.000 13.550 1.00 0.54 O ATOM 0 H GLY A 50 -4.629 -2.680 16.775 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -3.829 -5.276 15.789 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.243 -4.866 16.739 1.00 0.61 H new ATOM 914 N ASP A 51 -6.786 -4.300 14.765 1.00 0.54 N ATOM 915 CA ASP A 51 -7.717 -4.381 13.645 1.00 0.52 C ATOM 916 C ASP A 51 -7.459 -3.250 12.659 1.00 0.46 C ATOM 917 O ASP A 51 -7.810 -3.357 11.491 1.00 0.46 O ATOM 918 CB ASP A 51 -9.175 -4.358 14.120 1.00 0.58 C ATOM 919 CG ASP A 51 -9.665 -2.973 14.495 1.00 1.53 C ATOM 920 OD1 ASP A 51 -9.409 -2.538 15.638 1.00 2.06 O ATOM 921 OD2 ASP A 51 -10.289 -2.305 13.644 1.00 2.37 O ATOM 0 H ASP A 51 -7.196 -3.960 15.635 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.550 -5.333 13.142 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.812 -4.760 13.332 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.279 -5.018 14.981 1.00 0.58 H new ATOM 926 N ALA A 52 -6.829 -2.175 13.125 1.00 0.43 N ATOM 927 CA ALA A 52 -6.438 -1.082 12.239 1.00 0.41 C ATOM 928 C ALA A 52 -5.503 -1.615 11.173 1.00 0.40 C ATOM 929 O ALA A 52 -5.645 -1.323 9.988 1.00 0.40 O ATOM 930 CB ALA A 52 -5.773 0.042 13.019 1.00 0.42 C ATOM 0 H ALA A 52 -6.580 -2.037 14.104 1.00 0.43 H new ATOM 0 HA ALA A 52 -7.331 -0.672 11.767 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.492 0.843 12.335 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.468 0.429 13.764 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.882 -0.339 13.518 1.00 0.42 H new ATOM 936 N LYS A 53 -4.534 -2.402 11.627 1.00 0.40 N ATOM 937 CA LYS A 53 -3.541 -2.987 10.749 1.00 0.41 C ATOM 938 C LYS A 53 -4.225 -3.932 9.777 1.00 0.41 C ATOM 939 O LYS A 53 -4.002 -3.849 8.577 1.00 0.40 O ATOM 940 CB LYS A 53 -2.483 -3.718 11.583 1.00 0.47 C ATOM 941 CG LYS A 53 -1.100 -3.787 10.945 1.00 0.52 C ATOM 942 CD LYS A 53 -0.986 -4.912 9.933 1.00 0.94 C ATOM 943 CE LYS A 53 0.432 -5.029 9.398 1.00 0.83 C ATOM 944 NZ LYS A 53 0.592 -6.199 8.498 1.00 1.62 N ATOM 0 H LYS A 53 -4.419 -2.648 12.610 1.00 0.40 H new ATOM 0 HA LYS A 53 -3.041 -2.206 10.176 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.397 -3.222 12.550 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.830 -4.733 11.775 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.881 -2.838 10.456 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -0.350 -3.925 11.724 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -1.281 -5.853 10.397 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -1.675 -4.733 9.108 1.00 0.94 H new ATOM 0 HE2 LYS A 53 0.692 -4.118 8.859 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.128 -5.115 10.232 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 1.469 -6.704 8.738 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 -0.219 -6.840 8.614 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 0.638 -5.874 7.511 1.00 1.62 H new ATOM 958 N LYS A 54 -5.070 -4.813 10.307 1.00 0.44 N ATOM 959 CA LYS A 54 -5.841 -5.735 9.477 1.00 0.47 C ATOM 960 C LYS A 54 -6.639 -4.977 8.408 1.00 0.44 C ATOM 961 O LYS A 54 -6.649 -5.370 7.240 1.00 0.46 O ATOM 962 CB LYS A 54 -6.768 -6.594 10.340 1.00 0.52 C ATOM 963 CG LYS A 54 -8.240 -6.269 10.193 1.00 0.99 C ATOM 964 CD LYS A 54 -9.093 -7.390 10.722 1.00 0.97 C ATOM 965 CE LYS A 54 -10.572 -7.051 10.628 1.00 1.74 C ATOM 966 NZ LYS A 54 -11.429 -8.168 11.092 1.00 2.49 N ATOM 0 H LYS A 54 -5.238 -4.908 11.309 1.00 0.44 H new ATOM 0 HA LYS A 54 -5.140 -6.396 8.967 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -6.613 -7.642 10.086 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -6.485 -6.474 11.386 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -8.469 -5.348 10.730 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -8.474 -6.093 9.143 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -8.890 -8.301 10.159 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.829 -7.592 11.760 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -10.779 -6.163 11.225 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -10.823 -6.806 9.596 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -12.429 -7.895 11.011 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -11.251 -9.009 10.506 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -11.209 -8.385 12.085 1.00 2.49 H new ATOM 980 N GLU A 55 -7.290 -3.887 8.812 1.00 0.42 N ATOM 981 CA GLU A 55 -8.111 -3.097 7.915 1.00 0.41 C ATOM 982 C GLU A 55 -7.244 -2.389 6.895 1.00 0.39 C ATOM 983 O GLU A 55 -7.538 -2.434 5.700 1.00 0.41 O ATOM 984 CB GLU A 55 -8.918 -2.091 8.729 1.00 0.42 C ATOM 985 CG GLU A 55 -10.043 -2.720 9.524 1.00 0.89 C ATOM 986 CD GLU A 55 -11.104 -3.346 8.649 1.00 1.39 C ATOM 987 OE1 GLU A 55 -10.928 -4.514 8.243 1.00 2.27 O ATOM 988 OE2 GLU A 55 -12.114 -2.675 8.352 1.00 1.34 O ATOM 0 H GLU A 55 -7.259 -3.533 9.768 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.796 -3.752 7.377 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -8.249 -1.569 9.413 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -9.334 -1.342 8.056 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -9.631 -3.481 10.187 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -10.503 -1.961 10.157 1.00 0.89 H new ATOM 995 N ALA A 56 -6.179 -1.748 7.342 1.00 0.36 N ATOM 996 CA ALA A 56 -5.295 -1.075 6.414 1.00 0.34 C ATOM 997 C ALA A 56 -4.711 -2.082 5.443 1.00 0.36 C ATOM 998 O ALA A 56 -4.744 -1.874 4.238 1.00 0.37 O ATOM 999 CB ALA A 56 -4.203 -0.320 7.144 1.00 0.31 C ATOM 0 H ALA A 56 -5.910 -1.680 8.324 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.872 -0.340 5.852 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.556 0.174 6.420 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.652 0.427 7.799 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.614 -1.017 7.740 1.00 0.31 H new ATOM 1005 N THR A 57 -4.186 -3.176 5.981 1.00 0.38 N ATOM 1006 CA THR A 57 -3.632 -4.248 5.169 1.00 0.41 C ATOM 1007 C THR A 57 -4.571 -4.663 4.042 1.00 0.44 C ATOM 1008 O THR A 57 -4.177 -4.761 2.888 1.00 0.45 O ATOM 1009 CB THR A 57 -3.328 -5.493 6.028 1.00 0.45 C ATOM 1010 OG1 THR A 57 -2.398 -5.167 7.061 1.00 0.43 O ATOM 1011 CG2 THR A 57 -2.768 -6.620 5.181 1.00 0.51 C ATOM 0 H THR A 57 -4.133 -3.343 6.986 1.00 0.38 H new ATOM 0 HA THR A 57 -2.712 -3.854 4.737 1.00 0.41 H new ATOM 0 HB THR A 57 -4.265 -5.826 6.474 1.00 0.45 H new ATOM 0 HG1 THR A 57 -2.802 -4.514 7.670 1.00 0.43 H new ATOM 0 HG21 THR A 57 -2.564 -7.484 5.814 1.00 0.51 H new ATOM 0 HG22 THR A 57 -3.493 -6.895 4.415 1.00 0.51 H new ATOM 0 HG23 THR A 57 -1.844 -6.292 4.704 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.837 -4.855 4.409 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.880 -5.215 3.456 1.00 0.49 C ATOM 1021 C GLU A 58 -7.180 -4.078 2.477 1.00 0.48 C ATOM 1022 O GLU A 58 -7.630 -4.325 1.357 1.00 0.53 O ATOM 1023 CB GLU A 58 -8.145 -5.649 4.197 1.00 0.52 C ATOM 1024 CG GLU A 58 -8.169 -7.139 4.480 1.00 0.78 C ATOM 1025 CD GLU A 58 -9.464 -7.599 5.110 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -10.542 -7.240 4.595 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -9.412 -8.320 6.128 1.00 1.71 O ATOM 0 H GLU A 58 -6.165 -4.765 5.371 1.00 0.45 H new ATOM 0 HA GLU A 58 -6.514 -6.054 2.864 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -8.217 -5.102 5.137 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -9.020 -5.381 3.604 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -8.011 -7.683 3.549 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -7.340 -7.391 5.141 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.924 -2.841 2.881 1.00 0.43 N ATOM 1035 CA HIS A 59 -7.148 -1.705 1.996 1.00 0.43 C ATOM 1036 C HIS A 59 -5.989 -1.561 1.024 1.00 0.42 C ATOM 1037 O HIS A 59 -6.197 -1.377 -0.174 1.00 0.44 O ATOM 1038 CB HIS A 59 -7.346 -0.408 2.782 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.715 -0.271 3.376 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.870 -0.395 2.636 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -9.109 -0.024 4.647 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.914 -0.230 3.423 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -10.482 -0.002 4.647 1.00 0.57 N ATOM 0 H HIS A 59 -6.565 -2.600 3.805 1.00 0.43 H new ATOM 0 HA HIS A 59 -8.064 -1.895 1.436 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.606 -0.360 3.581 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -7.159 0.439 2.122 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -8.465 0.127 5.501 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.949 -0.274 3.117 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -11.072 0.164 5.462 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.768 -1.629 1.544 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.590 -1.689 0.712 1.00 0.40 C ATOM 1054 C LEU A 60 -3.625 -2.914 -0.188 1.00 0.43 C ATOM 1055 O LEU A 60 -3.129 -2.872 -1.312 1.00 0.43 O ATOM 1056 CB LEU A 60 -2.323 -1.689 1.561 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.952 -0.322 2.120 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.962 0.155 3.132 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.548 -0.330 2.702 1.00 0.59 C ATOM 0 H LEU A 60 -4.577 -1.644 2.546 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.580 -0.800 0.082 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -2.453 -2.386 2.389 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.494 -2.061 0.959 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.964 0.386 1.291 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.665 1.133 3.509 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.942 0.230 2.660 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -3.011 -0.553 3.959 1.00 0.62 H new ATOM 0 HD21 LEU A 60 -0.311 0.659 3.093 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.492 -1.062 3.508 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.167 -0.593 1.923 1.00 0.59 H new ATOM 1071 N LYS A 61 -4.215 -4.005 0.303 1.00 0.46 N ATOM 1072 CA LYS A 61 -4.422 -5.185 -0.520 1.00 0.50 C ATOM 1073 C LYS A 61 -5.283 -4.828 -1.713 1.00 0.53 C ATOM 1074 O LYS A 61 -4.872 -5.032 -2.842 1.00 0.56 O ATOM 1075 CB LYS A 61 -5.073 -6.328 0.274 1.00 0.51 C ATOM 1076 CG LYS A 61 -4.084 -7.173 1.066 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.791 -8.228 1.908 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.798 -9.138 2.615 1.00 0.59 C ATOM 1079 NZ LYS A 61 -4.464 -10.072 3.563 1.00 0.67 N ATOM 0 H LYS A 61 -4.554 -4.091 1.261 1.00 0.46 H new ATOM 0 HA LYS A 61 -3.446 -5.534 -0.859 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.807 -5.907 0.961 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -5.615 -6.974 -0.417 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -3.390 -7.660 0.380 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -3.491 -6.527 1.714 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -5.427 -7.739 2.646 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -5.443 -8.825 1.271 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -3.242 -9.712 1.873 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -3.073 -8.530 3.156 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -3.748 -10.671 4.021 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.973 -9.527 4.288 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -5.137 -10.672 3.044 1.00 0.67 H new ATOM 1093 N GLY A 62 -6.475 -4.290 -1.460 1.00 0.53 N ATOM 1094 CA GLY A 62 -7.342 -3.837 -2.536 1.00 0.56 C ATOM 1095 C GLY A 62 -6.652 -2.846 -3.462 1.00 0.55 C ATOM 1096 O GLY A 62 -6.847 -2.885 -4.674 1.00 0.59 O ATOM 0 H GLY A 62 -6.857 -4.159 -0.523 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -7.677 -4.698 -3.115 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -8.232 -3.373 -2.110 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.857 -1.947 -2.890 1.00 0.50 N ATOM 1101 CA GLY A 63 -5.066 -1.030 -3.693 1.00 0.49 C ATOM 1102 C GLY A 63 -4.097 -1.755 -4.610 1.00 0.49 C ATOM 1103 O GLY A 63 -4.057 -1.508 -5.815 1.00 0.50 O ATOM 0 H GLY A 63 -5.746 -1.837 -1.882 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.732 -0.407 -4.291 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -4.510 -0.362 -3.035 1.00 0.49 H new ATOM 1107 N CYS A 64 -3.332 -2.664 -4.034 1.00 0.51 N ATOM 1108 CA CYS A 64 -2.365 -3.448 -4.788 1.00 0.55 C ATOM 1109 C CYS A 64 -3.082 -4.454 -5.693 1.00 0.56 C ATOM 1110 O CYS A 64 -2.539 -4.916 -6.694 1.00 0.56 O ATOM 1111 CB CYS A 64 -1.414 -4.157 -3.820 1.00 0.68 C ATOM 1112 SG CYS A 64 -0.053 -5.046 -4.632 1.00 1.13 S ATOM 0 H CYS A 64 -3.361 -2.880 -3.038 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.781 -2.785 -5.426 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -0.994 -3.420 -3.135 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -1.986 -4.863 -3.218 1.00 0.68 H new ATOM 1117 N ARG A 65 -4.309 -4.784 -5.322 1.00 0.62 N ATOM 1118 CA ARG A 65 -5.177 -5.643 -6.116 1.00 0.67 C ATOM 1119 C ARG A 65 -5.490 -4.978 -7.453 1.00 0.65 C ATOM 1120 O ARG A 65 -5.767 -5.648 -8.447 1.00 0.79 O ATOM 1121 CB ARG A 65 -6.470 -5.898 -5.338 1.00 0.76 C ATOM 1122 CG ARG A 65 -7.390 -6.951 -5.928 1.00 0.86 C ATOM 1123 CD ARG A 65 -8.686 -7.010 -5.137 1.00 1.49 C ATOM 1124 NE ARG A 65 -9.529 -8.145 -5.505 1.00 2.07 N ATOM 1125 CZ ARG A 65 -10.592 -8.528 -4.800 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -10.970 -7.835 -3.732 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -11.292 -9.594 -5.169 1.00 3.80 N ATOM 0 H ARG A 65 -4.735 -4.461 -4.454 1.00 0.62 H new ATOM 0 HA ARG A 65 -4.676 -6.591 -6.311 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -6.210 -6.196 -4.322 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -7.020 -4.960 -5.264 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -7.601 -6.718 -6.972 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -6.900 -7.924 -5.912 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -8.454 -7.067 -4.074 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -9.242 -6.086 -5.293 1.00 1.49 H new ATOM 0 HE ARG A 65 -9.291 -8.671 -6.346 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -10.446 -7.007 -3.450 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -11.785 -8.131 -3.194 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -11.016 -10.124 -5.996 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -12.105 -9.883 -4.626 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.447 -3.657 -7.466 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.663 -2.910 -8.685 1.00 0.55 C ATOM 1143 C GLU A 66 -4.336 -2.662 -9.382 1.00 0.48 C ATOM 1144 O GLU A 66 -4.280 -2.556 -10.608 1.00 0.47 O ATOM 1145 CB GLU A 66 -6.370 -1.585 -8.396 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.687 -1.749 -7.654 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.577 -2.810 -8.270 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -8.898 -2.699 -9.472 1.00 1.61 O ATOM 1149 OE2 GLU A 66 -8.972 -3.755 -7.554 1.00 2.02 O ATOM 0 H GLU A 66 -5.264 -3.082 -6.643 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.305 -3.497 -9.341 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.708 -0.950 -7.808 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -6.555 -1.068 -9.338 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -7.484 -2.009 -6.615 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -8.216 -0.796 -7.646 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.262 -2.571 -8.599 1.00 0.47 N ATOM 1157 CA ILE A 67 -1.946 -2.332 -9.170 1.00 0.47 C ATOM 1158 C ILE A 67 -1.279 -3.623 -9.606 1.00 0.45 C ATOM 1159 O ILE A 67 -1.246 -3.932 -10.789 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.991 -1.626 -8.184 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -1.535 -0.243 -7.816 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.412 -1.522 -8.789 1.00 0.60 C ATOM 1163 CD1 ILE A 67 -0.714 0.479 -6.771 1.00 0.81 C ATOM 0 H ILE A 67 -3.280 -2.658 -7.583 1.00 0.47 H new ATOM 0 HA ILE A 67 -2.123 -1.687 -10.030 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.924 -2.217 -7.271 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -1.580 0.370 -8.716 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -2.557 -0.350 -7.451 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.076 -1.022 -8.084 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.792 -2.522 -9.000 1.00 0.60 H new ATOM 0 HG23 ILE A 67 0.367 -0.948 -9.715 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -1.162 1.451 -6.564 1.00 0.81 H new ATOM 0 HD12 ILE A 67 -0.689 -0.112 -5.856 1.00 0.81 H new ATOM 0 HD13 ILE A 67 0.302 0.620 -7.140 1.00 0.81 H new ATOM 1175 N LEU A 68 -0.810 -4.399 -8.637 1.00 0.61 N ATOM 1176 CA LEU A 68 0.047 -5.536 -8.918 1.00 0.80 C ATOM 1177 C LEU A 68 -0.740 -6.654 -9.563 1.00 0.82 C ATOM 1178 O LEU A 68 -0.283 -7.263 -10.528 1.00 0.88 O ATOM 1179 CB LEU A 68 0.709 -6.050 -7.640 1.00 1.12 C ATOM 1180 CG LEU A 68 1.721 -7.182 -7.840 1.00 1.34 C ATOM 1181 CD1 LEU A 68 2.996 -6.654 -8.482 1.00 1.58 C ATOM 1182 CD2 LEU A 68 2.032 -7.863 -6.515 1.00 1.71 C ATOM 0 H LEU A 68 -1.012 -4.258 -7.647 1.00 0.61 H new ATOM 0 HA LEU A 68 0.822 -5.202 -9.608 1.00 0.80 H new ATOM 0 HB2 LEU A 68 1.212 -5.217 -7.150 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -0.070 -6.396 -6.960 1.00 1.12 H new ATOM 0 HG LEU A 68 1.280 -7.920 -8.510 1.00 1.34 H new ATOM 0 HD11 LEU A 68 3.702 -7.473 -8.616 1.00 1.58 H new ATOM 0 HD12 LEU A 68 2.761 -6.216 -9.452 1.00 1.58 H new ATOM 0 HD13 LEU A 68 3.440 -5.894 -7.839 1.00 1.58 H new ATOM 0 HD21 LEU A 68 2.753 -8.664 -6.678 1.00 1.71 H new ATOM 0 HD22 LEU A 68 2.450 -7.134 -5.821 1.00 1.71 H new ATOM 0 HD23 LEU A 68 1.116 -8.279 -6.096 1.00 1.71 H new ATOM 1194 N LYS A 69 -1.888 -6.956 -8.975 1.00 0.95 N ATOM 1195 CA LYS A 69 -2.726 -8.002 -9.515 1.00 1.24 C ATOM 1196 C LYS A 69 -2.908 -7.769 -11.018 1.00 1.20 C ATOM 1197 O LYS A 69 -2.318 -8.479 -11.824 1.00 1.61 O ATOM 1198 CB LYS A 69 -4.073 -7.999 -8.772 1.00 1.39 C ATOM 1199 CG LYS A 69 -4.981 -9.189 -9.051 1.00 1.43 C ATOM 1200 CD LYS A 69 -5.717 -9.083 -10.384 1.00 1.50 C ATOM 1201 CE LYS A 69 -6.831 -8.046 -10.340 1.00 1.68 C ATOM 1202 NZ LYS A 69 -7.946 -8.465 -9.451 1.00 2.22 N ATOM 0 H LYS A 69 -2.251 -6.498 -8.139 1.00 0.95 H new ATOM 0 HA LYS A 69 -2.264 -8.980 -9.376 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -3.876 -7.958 -7.701 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -4.609 -7.087 -9.033 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -4.386 -10.102 -9.043 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -5.711 -9.278 -8.246 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -5.008 -8.821 -11.169 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -6.136 -10.055 -10.645 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -6.428 -7.095 -9.992 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -7.213 -7.881 -11.347 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -8.775 -7.863 -9.627 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -8.191 -9.457 -9.645 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -7.653 -8.369 -8.458 1.00 2.22 H new ATOM 1216 N HIS A 70 -3.758 -6.816 -11.393 1.00 1.05 N ATOM 1217 CA HIS A 70 -3.820 -6.284 -12.763 1.00 1.16 C ATOM 1218 C HIS A 70 -2.465 -6.165 -13.493 1.00 0.91 C ATOM 1219 O HIS A 70 -2.417 -6.333 -14.711 1.00 0.89 O ATOM 1220 CB HIS A 70 -4.504 -4.906 -12.681 1.00 1.41 C ATOM 1221 CG HIS A 70 -4.182 -3.948 -13.793 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -5.052 -3.667 -14.822 1.00 1.59 N ATOM 1223 CD2 HIS A 70 -3.083 -3.177 -14.009 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -4.509 -2.770 -15.623 1.00 1.76 C ATOM 1225 NE2 HIS A 70 -3.315 -2.456 -15.152 1.00 1.74 N ATOM 0 H HIS A 70 -4.429 -6.385 -10.756 1.00 1.05 H new ATOM 0 HA HIS A 70 -4.379 -7.001 -13.364 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -5.583 -5.058 -12.659 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -4.228 -4.440 -11.735 1.00 1.41 H new ATOM 0 HD2 HIS A 70 -2.195 -3.140 -13.396 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -4.964 -2.361 -16.513 1.00 1.76 H new ATOM 0 HE2 HIS A 70 -2.670 -1.786 -15.571 1.00 1.74 H new ATOM 1234 N VAL A 71 -1.383 -5.859 -12.793 1.00 0.76 N ATOM 1235 CA VAL A 71 -0.130 -5.560 -13.465 1.00 0.69 C ATOM 1236 C VAL A 71 0.587 -6.823 -13.987 1.00 0.52 C ATOM 1237 O VAL A 71 1.217 -6.778 -15.036 1.00 0.59 O ATOM 1238 CB VAL A 71 0.774 -4.687 -12.579 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.757 -5.474 -11.762 1.00 1.01 C ATOM 1240 CG2 VAL A 71 1.478 -3.675 -13.417 1.00 1.46 C ATOM 0 H VAL A 71 -1.347 -5.812 -11.775 1.00 0.76 H new ATOM 0 HA VAL A 71 -0.372 -4.980 -14.356 1.00 0.69 H new ATOM 0 HB VAL A 71 0.123 -4.188 -11.861 1.00 0.81 H new ATOM 0 HG11 VAL A 71 2.360 -4.792 -11.162 1.00 1.01 H new ATOM 0 HG12 VAL A 71 1.219 -6.157 -11.104 1.00 1.01 H new ATOM 0 HG13 VAL A 71 2.406 -6.045 -12.425 1.00 1.01 H new ATOM 0 HG21 VAL A 71 2.117 -3.059 -12.784 1.00 1.46 H new ATOM 0 HG22 VAL A 71 2.088 -4.182 -14.164 1.00 1.46 H new ATOM 0 HG23 VAL A 71 0.744 -3.042 -13.916 1.00 1.46 H new ATOM 1250 N VAL A 72 0.498 -7.941 -13.271 1.00 0.44 N ATOM 1251 CA VAL A 72 0.817 -9.238 -13.883 1.00 0.46 C ATOM 1252 C VAL A 72 -0.417 -9.677 -14.659 1.00 0.47 C ATOM 1253 O VAL A 72 -0.339 -10.531 -15.548 1.00 0.64 O ATOM 1254 CB VAL A 72 1.200 -10.323 -12.844 1.00 0.52 C ATOM 1255 CG1 VAL A 72 0.001 -10.765 -12.012 1.00 0.74 C ATOM 1256 CG2 VAL A 72 1.858 -11.500 -13.536 1.00 0.80 C ATOM 0 H VAL A 72 0.216 -7.982 -12.292 1.00 0.44 H new ATOM 0 HA VAL A 72 1.688 -9.120 -14.527 1.00 0.46 H new ATOM 0 HB VAL A 72 1.916 -9.885 -12.149 1.00 0.52 H new ATOM 0 HG11 VAL A 72 0.315 -11.526 -11.297 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -0.405 -9.908 -11.475 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -0.765 -11.178 -12.668 1.00 0.74 H new ATOM 0 HG21 VAL A 72 2.123 -12.256 -12.796 1.00 0.80 H new ATOM 0 HG22 VAL A 72 1.166 -11.929 -14.261 1.00 0.80 H new ATOM 0 HG23 VAL A 72 2.759 -11.163 -14.049 1.00 0.80 H new ATOM 1266 N GLY A 73 -1.547 -9.091 -14.338 1.00 0.45 N ATOM 1267 CA GLY A 73 -2.750 -9.374 -15.069 1.00 0.48 C ATOM 1268 C GLY A 73 -3.674 -10.278 -14.303 1.00 0.50 C ATOM 1269 O GLY A 73 -3.253 -10.989 -13.386 1.00 0.55 O ATOM 0 H GLY A 73 -1.654 -8.419 -13.578 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.264 -8.440 -15.298 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -2.495 -9.839 -16.021 1.00 0.48 H new ATOM 1273 N GLU A 74 -4.937 -10.263 -14.683 1.00 0.54 N ATOM 1274 CA GLU A 74 -5.935 -11.093 -14.042 1.00 0.58 C ATOM 1275 C GLU A 74 -5.720 -12.560 -14.418 1.00 0.53 C ATOM 1276 O GLU A 74 -6.398 -13.444 -13.911 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.331 -10.614 -14.434 1.00 0.69 C ATOM 1278 CG GLU A 74 -8.456 -11.247 -13.634 1.00 1.45 C ATOM 1279 CD GLU A 74 -9.811 -10.706 -14.027 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -10.247 -9.699 -13.431 1.00 2.10 O ATOM 1281 OE2 GLU A 74 -10.452 -11.290 -14.925 1.00 2.31 O ATOM 0 H GLU A 74 -5.297 -9.680 -15.439 1.00 0.54 H new ATOM 0 HA GLU A 74 -5.839 -11.010 -12.959 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -7.379 -9.532 -14.312 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -7.491 -10.823 -15.492 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -8.441 -12.327 -13.781 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -8.289 -11.068 -12.572 1.00 1.45 H new ATOM 1288 N GLU A 75 -4.777 -12.802 -15.324 1.00 0.54 N ATOM 1289 CA GLU A 75 -4.354 -14.158 -15.650 1.00 0.55 C ATOM 1290 C GLU A 75 -3.625 -14.782 -14.471 1.00 0.53 C ATOM 1291 O GLU A 75 -4.135 -15.684 -13.810 1.00 0.56 O ATOM 1292 CB GLU A 75 -3.454 -14.149 -16.890 1.00 0.58 C ATOM 1293 CG GLU A 75 -2.754 -15.472 -17.157 1.00 0.95 C ATOM 1294 CD GLU A 75 -1.994 -15.471 -18.466 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -2.629 -15.592 -19.534 1.00 1.31 O ATOM 1296 OE2 GLU A 75 -0.752 -15.359 -18.429 1.00 2.00 O ATOM 0 H GLU A 75 -4.291 -12.073 -15.846 1.00 0.54 H new ATOM 0 HA GLU A 75 -5.239 -14.757 -15.866 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -4.055 -13.886 -17.760 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -2.702 -13.369 -16.774 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -2.065 -15.686 -16.340 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -3.492 -16.274 -17.170 1.00 0.95 H new ATOM 1303 N LYS A 76 -2.427 -14.274 -14.209 1.00 0.50 N ATOM 1304 CA LYS A 76 -1.519 -14.900 -13.275 1.00 0.51 C ATOM 1305 C LYS A 76 -2.013 -14.787 -11.852 1.00 0.55 C ATOM 1306 O LYS A 76 -1.939 -15.745 -11.087 1.00 0.57 O ATOM 1307 CB LYS A 76 -0.134 -14.281 -13.413 1.00 0.47 C ATOM 1308 CG LYS A 76 0.422 -14.382 -14.826 1.00 1.16 C ATOM 1309 CD LYS A 76 0.452 -15.824 -15.319 1.00 1.43 C ATOM 1310 CE LYS A 76 1.400 -16.692 -14.511 1.00 0.71 C ATOM 1311 NZ LYS A 76 1.420 -18.093 -15.005 1.00 1.13 N ATOM 0 H LYS A 76 -2.066 -13.422 -14.638 1.00 0.50 H new ATOM 0 HA LYS A 76 -1.465 -15.962 -13.513 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -0.180 -13.232 -13.120 1.00 0.47 H new ATOM 0 HB3 LYS A 76 0.550 -14.775 -12.723 1.00 0.47 H new ATOM 0 HG2 LYS A 76 -0.187 -13.780 -15.500 1.00 1.16 H new ATOM 0 HG3 LYS A 76 1.430 -13.968 -14.851 1.00 1.16 H new ATOM 0 HD2 LYS A 76 -0.553 -16.243 -15.268 1.00 1.43 H new ATOM 0 HD3 LYS A 76 0.752 -15.841 -16.367 1.00 1.43 H new ATOM 0 HE2 LYS A 76 2.406 -16.275 -14.560 1.00 0.71 H new ATOM 0 HE3 LYS A 76 1.100 -16.680 -13.463 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 1.942 -18.691 -14.333 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 0.445 -18.443 -15.095 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 1.888 -18.127 -15.933 1.00 1.13 H new ATOM 1325 N ALA A 77 -2.530 -13.624 -11.502 1.00 0.57 N ATOM 1326 CA ALA A 77 -3.035 -13.398 -10.163 1.00 0.64 C ATOM 1327 C ALA A 77 -4.198 -14.337 -9.861 1.00 0.65 C ATOM 1328 O ALA A 77 -4.397 -14.748 -8.719 1.00 0.70 O ATOM 1329 CB ALA A 77 -3.463 -11.959 -10.002 1.00 0.68 C ATOM 0 H ALA A 77 -2.611 -12.822 -12.127 1.00 0.57 H new ATOM 0 HA ALA A 77 -2.235 -13.606 -9.452 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -3.840 -11.803 -8.991 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -2.609 -11.304 -10.176 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -4.249 -11.730 -10.722 1.00 0.68 H new ATOM 1335 N ALA A 78 -4.952 -14.681 -10.899 1.00 0.63 N ATOM 1336 CA ALA A 78 -6.052 -15.623 -10.771 1.00 0.67 C ATOM 1337 C ALA A 78 -5.518 -16.995 -10.401 1.00 0.67 C ATOM 1338 O ALA A 78 -6.056 -17.672 -9.523 1.00 0.73 O ATOM 1339 CB ALA A 78 -6.833 -15.691 -12.074 1.00 0.66 C ATOM 0 H ALA A 78 -4.818 -14.318 -11.843 1.00 0.63 H new ATOM 0 HA ALA A 78 -6.722 -15.284 -9.981 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -7.655 -16.399 -11.969 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -7.232 -14.705 -12.311 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -6.173 -16.018 -12.877 1.00 0.66 H new ATOM 1345 N GLU A 79 -4.430 -17.384 -11.056 1.00 0.62 N ATOM 1346 CA GLU A 79 -3.816 -18.681 -10.818 1.00 0.65 C ATOM 1347 C GLU A 79 -3.197 -18.736 -9.428 1.00 0.66 C ATOM 1348 O GLU A 79 -3.198 -19.775 -8.784 1.00 0.67 O ATOM 1349 CB GLU A 79 -2.738 -18.967 -11.864 1.00 0.65 C ATOM 1350 CG GLU A 79 -3.169 -18.671 -13.286 1.00 0.85 C ATOM 1351 CD GLU A 79 -2.230 -19.268 -14.313 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -1.061 -18.833 -14.380 1.00 1.33 O ATOM 1353 OE2 GLU A 79 -2.663 -20.152 -15.079 1.00 1.26 O ATOM 0 H GLU A 79 -3.955 -16.816 -11.758 1.00 0.62 H new ATOM 0 HA GLU A 79 -4.597 -19.438 -10.892 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -1.854 -18.374 -11.632 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -2.446 -20.015 -11.794 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -4.174 -19.062 -13.446 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -3.220 -17.592 -13.429 1.00 0.85 H new ATOM 1360 N LEU A 80 -2.700 -17.595 -8.964 1.00 0.66 N ATOM 1361 CA LEU A 80 -2.096 -17.491 -7.648 1.00 0.70 C ATOM 1362 C LEU A 80 -3.162 -17.485 -6.559 1.00 0.74 C ATOM 1363 O LEU A 80 -2.991 -18.097 -5.503 1.00 0.80 O ATOM 1364 CB LEU A 80 -1.256 -16.223 -7.583 1.00 0.71 C ATOM 1365 CG LEU A 80 -0.153 -16.153 -8.635 1.00 0.66 C ATOM 1366 CD1 LEU A 80 0.395 -14.744 -8.744 1.00 0.97 C ATOM 1367 CD2 LEU A 80 0.954 -17.142 -8.309 1.00 0.98 C ATOM 0 H LEU A 80 -2.706 -16.721 -9.490 1.00 0.66 H new ATOM 0 HA LEU A 80 -1.457 -18.358 -7.479 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -1.911 -15.360 -7.700 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -0.805 -16.149 -6.593 1.00 0.71 H new ATOM 0 HG LEU A 80 -0.579 -16.423 -9.601 1.00 0.66 H new ATOM 0 HD11 LEU A 80 1.180 -14.716 -9.500 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -0.407 -14.063 -9.029 1.00 0.97 H new ATOM 0 HD13 LEU A 80 0.806 -14.438 -7.782 1.00 0.97 H new ATOM 0 HD21 LEU A 80 1.733 -17.080 -9.069 1.00 0.98 H new ATOM 0 HD22 LEU A 80 1.379 -16.904 -7.334 1.00 0.98 H new ATOM 0 HD23 LEU A 80 0.545 -18.152 -8.290 1.00 0.98 H new ATOM 1379 N LYS A 81 -4.267 -16.800 -6.822 1.00 0.74 N ATOM 1380 CA LYS A 81 -5.372 -16.752 -5.879 1.00 0.79 C ATOM 1381 C LYS A 81 -6.011 -18.133 -5.772 1.00 0.77 C ATOM 1382 O LYS A 81 -6.333 -18.599 -4.675 1.00 0.79 O ATOM 1383 CB LYS A 81 -6.403 -15.703 -6.325 1.00 0.83 C ATOM 1384 CG LYS A 81 -7.204 -15.084 -5.181 1.00 1.18 C ATOM 1385 CD LYS A 81 -8.258 -16.029 -4.620 1.00 1.34 C ATOM 1386 CE LYS A 81 -9.401 -16.243 -5.599 1.00 1.68 C ATOM 1387 NZ LYS A 81 -10.482 -17.080 -5.015 1.00 2.12 N ATOM 0 H LYS A 81 -4.420 -16.271 -7.680 1.00 0.74 H new ATOM 0 HA LYS A 81 -4.999 -16.463 -4.896 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -5.886 -14.908 -6.863 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -7.095 -16.166 -7.028 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -6.522 -14.792 -4.382 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -7.689 -14.174 -5.534 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -7.797 -16.988 -4.383 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -8.649 -15.624 -3.687 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -9.810 -15.277 -5.896 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -9.021 -16.720 -6.502 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -11.242 -17.202 -5.714 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -10.098 -18.011 -4.755 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -10.863 -16.613 -4.167 1.00 2.12 H new ATOM 1401 N ASN A 82 -6.171 -18.796 -6.915 1.00 0.75 N ATOM 1402 CA ASN A 82 -6.712 -20.150 -6.937 1.00 0.75 C ATOM 1403 C ASN A 82 -5.693 -21.112 -6.340 1.00 0.74 C ATOM 1404 O ASN A 82 -6.069 -22.117 -5.744 1.00 0.80 O ATOM 1405 CB ASN A 82 -7.077 -20.571 -8.364 1.00 0.73 C ATOM 1406 CG ASN A 82 -7.910 -21.839 -8.413 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -7.380 -22.954 -8.424 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -9.222 -21.678 -8.466 1.00 1.54 N ATOM 0 H ASN A 82 -5.935 -18.419 -7.833 1.00 0.75 H new ATOM 0 HA ASN A 82 -7.624 -20.175 -6.340 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -7.627 -19.763 -8.846 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -6.163 -20.721 -8.938 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -9.834 -22.492 -8.518 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -9.622 -20.740 -8.455 1.00 1.54 H new ATOM 1415 N LEU A 83 -4.411 -20.802 -6.484 1.00 0.72 N ATOM 1416 CA LEU A 83 -3.379 -21.610 -5.876 1.00 0.72 C ATOM 1417 C LEU A 83 -3.532 -21.568 -4.365 1.00 0.74 C ATOM 1418 O LEU A 83 -3.619 -22.604 -3.710 1.00 0.77 O ATOM 1419 CB LEU A 83 -2.004 -21.100 -6.300 1.00 0.75 C ATOM 1420 CG LEU A 83 -1.371 -21.828 -7.488 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -0.145 -21.077 -7.986 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -1.000 -23.254 -7.107 1.00 1.37 C ATOM 0 H LEU A 83 -4.069 -20.001 -7.014 1.00 0.72 H new ATOM 0 HA LEU A 83 -3.475 -22.644 -6.208 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -2.088 -20.042 -6.547 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -1.329 -21.175 -5.448 1.00 0.75 H new ATOM 0 HG LEU A 83 -2.104 -21.865 -8.294 1.00 0.73 H new ATOM 0 HD11 LEU A 83 0.290 -21.611 -8.831 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -0.435 -20.075 -8.301 1.00 1.05 H new ATOM 0 HD13 LEU A 83 0.589 -21.007 -7.184 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -0.551 -23.755 -7.965 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -0.287 -23.237 -6.283 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -1.896 -23.793 -6.800 1.00 1.37 H new ATOM 1434 N LYS A 84 -3.598 -20.357 -3.829 1.00 0.76 N ATOM 1435 CA LYS A 84 -3.794 -20.151 -2.401 1.00 0.81 C ATOM 1436 C LYS A 84 -5.027 -20.908 -1.901 1.00 0.83 C ATOM 1437 O LYS A 84 -4.945 -21.682 -0.945 1.00 0.87 O ATOM 1438 CB LYS A 84 -3.932 -18.651 -2.121 1.00 0.88 C ATOM 1439 CG LYS A 84 -4.086 -18.299 -0.650 1.00 0.96 C ATOM 1440 CD LYS A 84 -4.008 -16.794 -0.438 1.00 1.19 C ATOM 1441 CE LYS A 84 -4.226 -16.418 1.018 1.00 1.54 C ATOM 1442 NZ LYS A 84 -5.627 -16.662 1.452 1.00 2.27 N ATOM 0 H LYS A 84 -3.518 -19.495 -4.368 1.00 0.76 H new ATOM 0 HA LYS A 84 -2.929 -20.541 -1.865 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -3.055 -18.138 -2.515 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -4.796 -18.270 -2.666 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -5.041 -18.673 -0.281 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -3.305 -18.792 -0.071 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -3.034 -16.431 -0.765 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -4.757 -16.300 -1.057 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -3.546 -16.993 1.647 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -3.980 -15.366 1.162 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -5.769 -16.269 2.404 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -6.281 -16.203 0.787 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -5.812 -17.685 1.469 1.00 2.27 H new ATOM 1456 N ASP A 85 -6.157 -20.697 -2.567 1.00 0.84 N ATOM 1457 CA ASP A 85 -7.425 -21.325 -2.182 1.00 0.91 C ATOM 1458 C ASP A 85 -7.405 -22.845 -2.345 1.00 0.90 C ATOM 1459 O ASP A 85 -8.099 -23.554 -1.615 1.00 0.94 O ATOM 1460 CB ASP A 85 -8.564 -20.749 -3.021 1.00 0.98 C ATOM 1461 CG ASP A 85 -9.930 -21.171 -2.520 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -10.456 -20.510 -1.602 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -10.490 -22.154 -3.044 1.00 2.52 O ATOM 0 H ASP A 85 -6.225 -20.091 -3.384 1.00 0.84 H new ATOM 0 HA ASP A 85 -7.577 -21.108 -1.125 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -8.500 -19.661 -3.015 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -8.446 -21.070 -4.056 1.00 0.98 H new ATOM 1468 N SER A 86 -6.615 -23.356 -3.279 1.00 0.86 N ATOM 1469 CA SER A 86 -6.542 -24.801 -3.472 1.00 0.90 C ATOM 1470 C SER A 86 -5.563 -25.431 -2.485 1.00 0.84 C ATOM 1471 O SER A 86 -5.452 -26.656 -2.393 1.00 0.96 O ATOM 1472 CB SER A 86 -6.151 -25.145 -4.912 1.00 0.97 C ATOM 1473 OG SER A 86 -4.938 -24.514 -5.286 1.00 1.52 O ATOM 0 H SER A 86 -6.026 -22.806 -3.904 1.00 0.86 H new ATOM 0 HA SER A 86 -7.533 -25.214 -3.283 1.00 0.90 H new ATOM 0 HB2 SER A 86 -6.047 -26.225 -5.014 1.00 0.97 H new ATOM 0 HB3 SER A 86 -6.947 -24.836 -5.590 1.00 0.97 H new ATOM 0 HG SER A 86 -5.130 -23.623 -5.647 1.00 1.52 H new ATOM 1479 N GLY A 87 -4.856 -24.587 -1.751 1.00 0.80 N ATOM 1480 CA GLY A 87 -3.962 -25.070 -0.720 1.00 0.88 C ATOM 1481 C GLY A 87 -2.505 -24.886 -1.078 1.00 0.82 C ATOM 1482 O GLY A 87 -1.689 -25.781 -0.851 1.00 0.92 O ATOM 0 H GLY A 87 -4.885 -23.572 -1.851 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -4.172 -24.545 0.212 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -4.157 -26.127 -0.542 1.00 0.88 H new ATOM 1486 N ALA A 88 -2.174 -23.741 -1.651 1.00 0.76 N ATOM 1487 CA ALA A 88 -0.779 -23.409 -1.893 1.00 0.76 C ATOM 1488 C ALA A 88 -0.213 -22.737 -0.660 1.00 0.80 C ATOM 1489 O ALA A 88 -0.856 -21.905 -0.016 1.00 0.83 O ATOM 1490 CB ALA A 88 -0.640 -22.487 -3.091 1.00 0.76 C ATOM 0 H ALA A 88 -2.843 -23.033 -1.954 1.00 0.76 H new ATOM 0 HA ALA A 88 -0.229 -24.326 -2.106 1.00 0.76 H new ATOM 0 HB1 ALA A 88 0.413 -22.254 -3.251 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -1.041 -22.979 -3.977 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -1.192 -21.565 -2.907 1.00 0.76 H new ATOM 1496 N SER A 89 1.003 -23.134 -0.356 1.00 0.81 N ATOM 1497 CA SER A 89 1.794 -22.531 0.691 1.00 0.86 C ATOM 1498 C SER A 89 2.275 -21.174 0.208 1.00 0.78 C ATOM 1499 O SER A 89 2.358 -20.935 -1.002 1.00 0.77 O ATOM 1500 CB SER A 89 2.985 -23.445 1.020 1.00 0.93 C ATOM 1501 OG SER A 89 3.861 -22.854 1.967 1.00 1.60 O ATOM 0 H SER A 89 1.477 -23.898 -0.838 1.00 0.81 H new ATOM 0 HA SER A 89 1.200 -22.401 1.596 1.00 0.86 H new ATOM 0 HB2 SER A 89 2.617 -24.394 1.409 1.00 0.93 H new ATOM 0 HB3 SER A 89 3.535 -23.667 0.106 1.00 0.93 H new ATOM 0 HG SER A 89 4.729 -23.308 1.938 1.00 1.60 H new ATOM 1507 N LYS A 90 2.594 -20.286 1.139 1.00 0.76 N ATOM 1508 CA LYS A 90 3.097 -18.967 0.788 1.00 0.74 C ATOM 1509 C LYS A 90 4.438 -19.076 0.071 1.00 0.69 C ATOM 1510 O LYS A 90 4.956 -18.091 -0.430 1.00 0.67 O ATOM 1511 CB LYS A 90 3.223 -18.078 2.027 1.00 0.81 C ATOM 1512 CG LYS A 90 4.212 -18.587 3.060 1.00 1.29 C ATOM 1513 CD LYS A 90 4.303 -17.642 4.246 1.00 1.77 C ATOM 1514 CE LYS A 90 5.290 -18.139 5.290 1.00 2.22 C ATOM 1515 NZ LYS A 90 4.905 -19.468 5.834 1.00 2.96 N ATOM 0 H LYS A 90 2.513 -20.455 2.142 1.00 0.76 H new ATOM 0 HA LYS A 90 2.379 -18.504 0.111 1.00 0.74 H new ATOM 0 HB2 LYS A 90 3.524 -17.078 1.714 1.00 0.81 H new ATOM 0 HB3 LYS A 90 2.243 -17.984 2.494 1.00 0.81 H new ATOM 0 HG2 LYS A 90 3.908 -19.576 3.402 1.00 1.29 H new ATOM 0 HG3 LYS A 90 5.195 -18.697 2.603 1.00 1.29 H new ATOM 0 HD2 LYS A 90 4.606 -16.654 3.901 1.00 1.77 H new ATOM 0 HD3 LYS A 90 3.318 -17.533 4.700 1.00 1.77 H new ATOM 0 HE2 LYS A 90 6.284 -18.203 4.847 1.00 2.22 H new ATOM 0 HE3 LYS A 90 5.350 -17.417 6.105 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 5.479 -19.678 6.676 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 3.898 -19.458 6.095 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 5.068 -20.199 5.113 1.00 2.96 H new ATOM 1529 N GLU A 91 4.990 -20.285 0.043 1.00 0.71 N ATOM 1530 CA GLU A 91 6.207 -20.572 -0.707 1.00 0.70 C ATOM 1531 C GLU A 91 5.877 -20.744 -2.190 1.00 0.67 C ATOM 1532 O GLU A 91 6.594 -20.264 -3.058 1.00 0.67 O ATOM 1533 CB GLU A 91 6.846 -21.844 -0.166 1.00 0.73 C ATOM 1534 CG GLU A 91 7.008 -21.833 1.341 1.00 1.30 C ATOM 1535 CD GLU A 91 7.347 -23.196 1.889 1.00 1.74 C ATOM 1536 OE1 GLU A 91 6.426 -24.027 2.032 1.00 2.34 O ATOM 1537 OE2 GLU A 91 8.534 -23.443 2.187 1.00 2.10 O ATOM 0 H GLU A 91 4.607 -21.091 0.538 1.00 0.71 H new ATOM 0 HA GLU A 91 6.904 -19.742 -0.596 1.00 0.70 H new ATOM 0 HB2 GLU A 91 6.236 -22.701 -0.454 1.00 0.73 H new ATOM 0 HB3 GLU A 91 7.823 -21.978 -0.630 1.00 0.73 H new ATOM 0 HG2 GLU A 91 7.793 -21.128 1.615 1.00 1.30 H new ATOM 0 HG3 GLU A 91 6.086 -21.478 1.801 1.00 1.30 H new ATOM 1544 N GLU A 92 4.787 -21.453 -2.464 1.00 0.66 N ATOM 1545 CA GLU A 92 4.289 -21.666 -3.807 1.00 0.65 C ATOM 1546 C GLU A 92 3.811 -20.357 -4.379 1.00 0.60 C ATOM 1547 O GLU A 92 3.911 -20.107 -5.567 1.00 0.57 O ATOM 1548 CB GLU A 92 3.141 -22.648 -3.750 1.00 0.69 C ATOM 1549 CG GLU A 92 3.532 -23.970 -3.139 1.00 0.74 C ATOM 1550 CD GLU A 92 4.419 -24.788 -4.055 1.00 1.06 C ATOM 1551 OE1 GLU A 92 5.586 -24.394 -4.272 1.00 1.45 O ATOM 1552 OE2 GLU A 92 3.953 -25.820 -4.575 1.00 1.10 O ATOM 0 H GLU A 92 4.220 -21.900 -1.744 1.00 0.66 H new ATOM 0 HA GLU A 92 5.082 -22.063 -4.441 1.00 0.65 H new ATOM 0 HB2 GLU A 92 2.325 -22.213 -3.172 1.00 0.69 H new ATOM 0 HB3 GLU A 92 2.763 -22.817 -4.758 1.00 0.69 H new ATOM 0 HG2 GLU A 92 4.052 -23.793 -2.197 1.00 0.74 H new ATOM 0 HG3 GLU A 92 2.633 -24.539 -2.905 1.00 0.74 H new ATOM 1559 N LEU A 93 3.312 -19.517 -3.503 1.00 0.61 N ATOM 1560 CA LEU A 93 3.061 -18.135 -3.870 1.00 0.60 C ATOM 1561 C LEU A 93 4.418 -17.475 -4.000 1.00 0.61 C ATOM 1562 O LEU A 93 4.672 -16.852 -5.011 1.00 0.64 O ATOM 1563 CB LEU A 93 2.125 -17.476 -2.863 1.00 0.64 C ATOM 1564 CG LEU A 93 0.813 -18.255 -2.671 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -0.214 -17.439 -1.925 1.00 1.08 C ATOM 1566 CD2 LEU A 93 0.244 -18.707 -4.009 1.00 1.07 C ATOM 0 H LEU A 93 3.073 -19.758 -2.541 1.00 0.61 H new ATOM 0 HA LEU A 93 2.538 -18.038 -4.821 1.00 0.60 H new ATOM 0 HB2 LEU A 93 2.634 -17.389 -1.903 1.00 0.64 H new ATOM 0 HB3 LEU A 93 1.896 -16.463 -3.195 1.00 0.64 H new ATOM 0 HG LEU A 93 1.049 -19.136 -2.073 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -1.127 -18.022 -1.808 1.00 1.08 H new ATOM 0 HD12 LEU A 93 0.176 -17.175 -0.942 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -0.433 -16.530 -2.485 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -0.683 -19.255 -3.843 1.00 1.07 H new ATOM 0 HD22 LEU A 93 0.044 -17.836 -4.632 1.00 1.07 H new ATOM 0 HD23 LEU A 93 0.964 -19.354 -4.510 1.00 1.07 H new ATOM 1578 N LYS A 94 5.338 -17.655 -3.086 1.00 0.61 N ATOM 1579 CA LYS A 94 6.548 -16.841 -3.097 1.00 0.61 C ATOM 1580 C LYS A 94 7.375 -17.124 -4.333 1.00 0.66 C ATOM 1581 O LYS A 94 7.988 -16.229 -4.919 1.00 0.72 O ATOM 1582 CB LYS A 94 7.384 -17.112 -1.850 1.00 0.64 C ATOM 1583 CG LYS A 94 8.632 -16.257 -1.740 1.00 0.69 C ATOM 1584 CD LYS A 94 9.524 -16.736 -0.610 1.00 1.16 C ATOM 1585 CE LYS A 94 10.818 -15.944 -0.541 1.00 1.38 C ATOM 1586 NZ LYS A 94 11.758 -16.505 0.461 1.00 2.06 N ATOM 0 H LYS A 94 5.284 -18.342 -2.334 1.00 0.61 H new ATOM 0 HA LYS A 94 6.248 -15.793 -3.107 1.00 0.61 H new ATOM 0 HB2 LYS A 94 6.765 -16.946 -0.968 1.00 0.64 H new ATOM 0 HB3 LYS A 94 7.675 -18.162 -1.843 1.00 0.64 H new ATOM 0 HG2 LYS A 94 9.182 -16.289 -2.680 1.00 0.69 H new ATOM 0 HG3 LYS A 94 8.351 -15.218 -1.570 1.00 0.69 H new ATOM 0 HD2 LYS A 94 8.992 -16.646 0.337 1.00 1.16 H new ATOM 0 HD3 LYS A 94 9.751 -17.793 -0.749 1.00 1.16 H new ATOM 0 HE2 LYS A 94 11.293 -15.939 -1.522 1.00 1.38 H new ATOM 0 HE3 LYS A 94 10.596 -14.907 -0.289 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 12.445 -15.776 0.739 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 11.227 -16.817 1.299 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 12.262 -17.316 0.049 1.00 2.06 H new ATOM 1600 N ALA A 95 7.374 -18.372 -4.726 1.00 0.67 N ATOM 1601 CA ALA A 95 8.173 -18.806 -5.838 1.00 0.73 C ATOM 1602 C ALA A 95 7.442 -18.682 -7.165 1.00 0.73 C ATOM 1603 O ALA A 95 7.947 -18.065 -8.103 1.00 0.93 O ATOM 1604 CB ALA A 95 8.637 -20.237 -5.623 1.00 0.77 C ATOM 0 H ALA A 95 6.823 -19.109 -4.287 1.00 0.67 H new ATOM 0 HA ALA A 95 9.039 -18.146 -5.888 1.00 0.73 H new ATOM 0 HB1 ALA A 95 9.242 -20.555 -6.472 1.00 0.77 H new ATOM 0 HB2 ALA A 95 9.233 -20.293 -4.712 1.00 0.77 H new ATOM 0 HB3 ALA A 95 7.770 -20.891 -5.530 1.00 0.77 H new ATOM 1610 N LYS A 96 6.238 -19.256 -7.240 1.00 0.70 N ATOM 1611 CA LYS A 96 5.489 -19.269 -8.493 1.00 0.76 C ATOM 1612 C LYS A 96 5.072 -17.863 -8.941 1.00 0.58 C ATOM 1613 O LYS A 96 4.780 -17.628 -10.115 1.00 0.55 O ATOM 1614 CB LYS A 96 4.243 -20.142 -8.379 1.00 1.02 C ATOM 1615 CG LYS A 96 4.476 -21.617 -8.670 1.00 1.75 C ATOM 1616 CD LYS A 96 5.523 -22.217 -7.747 1.00 2.07 C ATOM 1617 CE LYS A 96 5.479 -23.736 -7.773 1.00 2.92 C ATOM 1618 NZ LYS A 96 6.428 -24.345 -6.804 1.00 3.11 N ATOM 0 H LYS A 96 5.769 -19.711 -6.457 1.00 0.70 H new ATOM 0 HA LYS A 96 6.163 -19.683 -9.243 1.00 0.76 H new ATOM 0 HB2 LYS A 96 3.837 -20.043 -7.372 1.00 1.02 H new ATOM 0 HB3 LYS A 96 3.486 -19.764 -9.067 1.00 1.02 H new ATOM 0 HG2 LYS A 96 3.538 -22.162 -8.558 1.00 1.75 H new ATOM 0 HG3 LYS A 96 4.793 -21.737 -9.706 1.00 1.75 H new ATOM 0 HD2 LYS A 96 6.514 -21.875 -8.047 1.00 2.07 H new ATOM 0 HD3 LYS A 96 5.358 -21.864 -6.729 1.00 2.07 H new ATOM 0 HE2 LYS A 96 4.467 -24.072 -7.547 1.00 2.92 H new ATOM 0 HE3 LYS A 96 5.714 -24.087 -8.778 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 6.326 -25.380 -6.822 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 7.402 -24.089 -7.064 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 6.221 -23.993 -5.847 1.00 3.11 H new ATOM 1632 N VAL A 97 5.065 -16.930 -7.986 1.00 0.62 N ATOM 1633 CA VAL A 97 4.802 -15.528 -8.274 1.00 0.57 C ATOM 1634 C VAL A 97 5.906 -14.952 -9.148 1.00 0.54 C ATOM 1635 O VAL A 97 5.636 -14.245 -10.116 1.00 0.59 O ATOM 1636 CB VAL A 97 4.688 -14.699 -6.977 1.00 0.60 C ATOM 1637 CG1 VAL A 97 4.938 -13.224 -7.225 1.00 0.97 C ATOM 1638 CG2 VAL A 97 3.322 -14.891 -6.356 1.00 0.93 C ATOM 0 H VAL A 97 5.241 -17.128 -7.001 1.00 0.62 H new ATOM 0 HA VAL A 97 3.851 -15.473 -8.804 1.00 0.57 H new ATOM 0 HB VAL A 97 5.456 -15.056 -6.291 1.00 0.60 H new ATOM 0 HG11 VAL A 97 4.848 -12.677 -6.287 1.00 0.97 H new ATOM 0 HG12 VAL A 97 5.941 -13.088 -7.630 1.00 0.97 H new ATOM 0 HG13 VAL A 97 4.205 -12.845 -7.937 1.00 0.97 H new ATOM 0 HG21 VAL A 97 3.252 -14.302 -5.442 1.00 0.93 H new ATOM 0 HG22 VAL A 97 2.554 -14.565 -7.058 1.00 0.93 H new ATOM 0 HG23 VAL A 97 3.174 -15.945 -6.121 1.00 0.93 H new ATOM 1648 N GLU A 98 7.150 -15.281 -8.825 1.00 0.53 N ATOM 1649 CA GLU A 98 8.278 -14.740 -9.560 1.00 0.57 C ATOM 1650 C GLU A 98 8.265 -15.224 -11.001 1.00 0.52 C ATOM 1651 O GLU A 98 8.787 -14.559 -11.879 1.00 0.53 O ATOM 1652 CB GLU A 98 9.608 -15.081 -8.887 1.00 0.68 C ATOM 1653 CG GLU A 98 9.768 -14.443 -7.515 1.00 0.81 C ATOM 1654 CD GLU A 98 11.217 -14.240 -7.129 1.00 1.31 C ATOM 1655 OE1 GLU A 98 11.834 -15.178 -6.579 1.00 1.65 O ATOM 1656 OE2 GLU A 98 11.751 -13.136 -7.379 1.00 2.03 O ATOM 0 H GLU A 98 7.399 -15.914 -8.065 1.00 0.53 H new ATOM 0 HA GLU A 98 8.178 -13.655 -9.559 1.00 0.57 H new ATOM 0 HB2 GLU A 98 9.691 -16.163 -8.789 1.00 0.68 H new ATOM 0 HB3 GLU A 98 10.426 -14.756 -9.529 1.00 0.68 H new ATOM 0 HG2 GLU A 98 9.256 -13.481 -7.505 1.00 0.81 H new ATOM 0 HG3 GLU A 98 9.282 -15.071 -6.768 1.00 0.81 H new ATOM 1663 N GLU A 99 7.633 -16.365 -11.246 1.00 0.49 N ATOM 1664 CA GLU A 99 7.469 -16.856 -12.609 1.00 0.49 C ATOM 1665 C GLU A 99 6.525 -15.949 -13.376 1.00 0.48 C ATOM 1666 O GLU A 99 6.761 -15.620 -14.538 1.00 0.51 O ATOM 1667 CB GLU A 99 6.936 -18.286 -12.613 1.00 0.52 C ATOM 1668 CG GLU A 99 7.918 -19.295 -12.051 1.00 0.91 C ATOM 1669 CD GLU A 99 9.224 -19.306 -12.815 1.00 1.68 C ATOM 1670 OE1 GLU A 99 9.262 -19.870 -13.928 1.00 1.82 O ATOM 1671 OE2 GLU A 99 10.219 -18.747 -12.308 1.00 2.48 O ATOM 0 H GLU A 99 7.229 -16.964 -10.526 1.00 0.49 H new ATOM 0 HA GLU A 99 8.445 -16.853 -13.094 1.00 0.49 H new ATOM 0 HB2 GLU A 99 6.014 -18.324 -12.032 1.00 0.52 H new ATOM 0 HB3 GLU A 99 6.681 -18.568 -13.634 1.00 0.52 H new ATOM 0 HG2 GLU A 99 8.113 -19.065 -11.004 1.00 0.91 H new ATOM 0 HG3 GLU A 99 7.472 -20.289 -12.081 1.00 0.91 H new ATOM 1678 N ALA A 100 5.472 -15.522 -12.703 1.00 0.49 N ATOM 1679 CA ALA A 100 4.488 -14.647 -13.307 1.00 0.55 C ATOM 1680 C ALA A 100 5.058 -13.244 -13.499 1.00 0.54 C ATOM 1681 O ALA A 100 4.984 -12.670 -14.581 1.00 0.58 O ATOM 1682 CB ALA A 100 3.242 -14.608 -12.441 1.00 0.63 C ATOM 0 H ALA A 100 5.277 -15.769 -11.733 1.00 0.49 H new ATOM 0 HA ALA A 100 4.224 -15.036 -14.290 1.00 0.55 H new ATOM 0 HB1 ALA A 100 2.503 -13.949 -12.897 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.828 -15.613 -12.354 1.00 0.63 H new ATOM 0 HB3 ALA A 100 3.499 -14.234 -11.450 1.00 0.63 H new ATOM 1688 N LEU A 101 5.645 -12.715 -12.434 1.00 0.51 N ATOM 1689 CA LEU A 101 6.197 -11.369 -12.428 1.00 0.53 C ATOM 1690 C LEU A 101 7.505 -11.284 -13.225 1.00 0.51 C ATOM 1691 O LEU A 101 8.066 -10.204 -13.397 1.00 0.53 O ATOM 1692 CB LEU A 101 6.412 -10.916 -10.979 1.00 0.53 C ATOM 1693 CG LEU A 101 5.143 -10.547 -10.179 1.00 0.66 C ATOM 1694 CD1 LEU A 101 4.546 -9.247 -10.680 1.00 1.40 C ATOM 1695 CD2 LEU A 101 4.085 -11.638 -10.232 1.00 1.28 C ATOM 0 H LEU A 101 5.752 -13.209 -11.548 1.00 0.51 H new ATOM 0 HA LEU A 101 5.486 -10.703 -12.917 1.00 0.53 H new ATOM 0 HB2 LEU A 101 6.932 -11.712 -10.446 1.00 0.53 H new ATOM 0 HB3 LEU A 101 7.075 -10.051 -10.986 1.00 0.53 H new ATOM 0 HG LEU A 101 5.458 -10.431 -9.142 1.00 0.66 H new ATOM 0 HD11 LEU A 101 3.654 -9.009 -10.101 1.00 1.40 H new ATOM 0 HD12 LEU A 101 5.275 -8.445 -10.569 1.00 1.40 H new ATOM 0 HD13 LEU A 101 4.279 -9.351 -11.732 1.00 1.40 H new ATOM 0 HD21 LEU A 101 3.214 -11.329 -9.654 1.00 1.28 H new ATOM 0 HD22 LEU A 101 3.791 -11.810 -11.267 1.00 1.28 H new ATOM 0 HD23 LEU A 101 4.490 -12.559 -9.812 1.00 1.28 H new ATOM 1707 N HIS A 102 8.004 -12.428 -13.680 1.00 0.51 N ATOM 1708 CA HIS A 102 9.093 -12.452 -14.655 1.00 0.53 C ATOM 1709 C HIS A 102 8.511 -12.458 -16.056 1.00 0.56 C ATOM 1710 O HIS A 102 9.005 -11.757 -16.935 1.00 0.57 O ATOM 1711 CB HIS A 102 10.009 -13.658 -14.456 1.00 0.55 C ATOM 1712 CG HIS A 102 10.996 -13.484 -13.339 1.00 1.07 C ATOM 1713 ND1 HIS A 102 11.942 -14.430 -13.015 1.00 1.95 N ATOM 1714 CD2 HIS A 102 11.166 -12.470 -12.457 1.00 1.39 C ATOM 1715 CE1 HIS A 102 12.648 -14.010 -11.985 1.00 2.48 C ATOM 1716 NE2 HIS A 102 12.199 -12.822 -11.627 1.00 2.14 N ATOM 0 H HIS A 102 7.674 -13.349 -13.392 1.00 0.51 H new ATOM 0 HA HIS A 102 9.701 -11.559 -14.510 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.398 -14.539 -14.256 1.00 0.55 H new ATOM 0 HB3 HIS A 102 10.551 -13.849 -15.382 1.00 0.55 H new ATOM 0 HD2 HIS A 102 10.594 -11.555 -12.415 1.00 1.39 H new ATOM 0 HE1 HIS A 102 13.457 -14.547 -11.513 1.00 2.48 H new ATOM 0 HE2 HIS A 102 12.561 -12.258 -10.858 1.00 2.14 H new ATOM 1725 N ALA A 103 7.476 -13.266 -16.270 1.00 0.58 N ATOM 1726 CA ALA A 103 6.922 -13.485 -17.606 1.00 0.61 C ATOM 1727 C ALA A 103 6.357 -12.203 -18.220 1.00 0.61 C ATOM 1728 O ALA A 103 6.096 -12.144 -19.424 1.00 0.64 O ATOM 1729 CB ALA A 103 5.856 -14.567 -17.540 1.00 0.63 C ATOM 0 H ALA A 103 7.000 -13.784 -15.531 1.00 0.58 H new ATOM 0 HA ALA A 103 7.734 -13.809 -18.257 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.442 -14.731 -18.535 1.00 0.63 H new ATOM 0 HB2 ALA A 103 6.300 -15.493 -17.174 1.00 0.63 H new ATOM 0 HB3 ALA A 103 5.061 -14.254 -16.864 1.00 0.63 H new ATOM 1735 N VAL A 104 6.165 -11.182 -17.398 1.00 0.60 N ATOM 1736 CA VAL A 104 5.618 -9.929 -17.839 1.00 0.63 C ATOM 1737 C VAL A 104 6.682 -9.115 -18.585 1.00 0.76 C ATOM 1738 O VAL A 104 7.860 -9.124 -18.221 1.00 1.68 O ATOM 1739 CB VAL A 104 5.078 -9.159 -16.631 1.00 0.57 C ATOM 1740 CG1 VAL A 104 6.121 -9.138 -15.549 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.654 -7.752 -17.003 1.00 0.51 C ATOM 0 H VAL A 104 6.389 -11.210 -16.403 1.00 0.60 H new ATOM 0 HA VAL A 104 4.797 -10.113 -18.532 1.00 0.63 H new ATOM 0 HB VAL A 104 4.187 -9.669 -16.266 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.740 -8.590 -14.687 1.00 0.60 H new ATOM 0 HG12 VAL A 104 6.359 -10.160 -15.253 1.00 0.60 H new ATOM 0 HG13 VAL A 104 7.021 -8.649 -15.921 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.277 -7.240 -16.118 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.510 -7.207 -17.401 1.00 0.51 H new ATOM 0 HG23 VAL A 104 3.869 -7.796 -17.758 1.00 0.51 H new ATOM 1751 N THR A 105 6.257 -8.409 -19.616 1.00 0.77 N ATOM 1752 CA THR A 105 7.213 -7.658 -20.429 1.00 0.79 C ATOM 1753 C THR A 105 6.677 -6.302 -20.864 1.00 0.75 C ATOM 1754 O THR A 105 7.334 -5.590 -21.622 1.00 0.95 O ATOM 1755 CB THR A 105 7.628 -8.459 -21.680 1.00 0.94 C ATOM 1756 OG1 THR A 105 6.467 -8.987 -22.337 1.00 0.88 O ATOM 1757 CG2 THR A 105 8.577 -9.594 -21.327 1.00 1.03 C ATOM 0 H THR A 105 5.283 -8.336 -19.911 1.00 0.77 H new ATOM 0 HA THR A 105 8.081 -7.491 -19.791 1.00 0.79 H new ATOM 0 HB THR A 105 8.149 -7.777 -22.351 1.00 0.94 H new ATOM 0 HG1 THR A 105 6.742 -9.492 -23.131 1.00 0.88 H new ATOM 0 HG21 THR A 105 8.848 -10.137 -22.233 1.00 1.03 H new ATOM 0 HG22 THR A 105 9.476 -9.186 -20.865 1.00 1.03 H new ATOM 0 HG23 THR A 105 8.088 -10.274 -20.630 1.00 1.03 H new ATOM 1765 N ASP A 106 5.506 -5.924 -20.393 1.00 0.77 N ATOM 1766 CA ASP A 106 5.039 -4.569 -20.598 1.00 0.79 C ATOM 1767 C ASP A 106 5.652 -3.639 -19.566 1.00 0.73 C ATOM 1768 O ASP A 106 5.492 -3.826 -18.360 1.00 0.72 O ATOM 1769 CB ASP A 106 3.520 -4.502 -20.492 1.00 0.79 C ATOM 1770 CG ASP A 106 2.984 -3.100 -20.699 1.00 1.35 C ATOM 1771 OD1 ASP A 106 2.998 -2.618 -21.851 1.00 1.38 O ATOM 1772 OD2 ASP A 106 2.531 -2.481 -19.716 1.00 2.07 O ATOM 0 H ASP A 106 4.868 -6.527 -19.873 1.00 0.77 H new ATOM 0 HA ASP A 106 5.342 -4.256 -21.597 1.00 0.79 H new ATOM 0 HB2 ASP A 106 3.078 -5.169 -21.232 1.00 0.79 H new ATOM 0 HB3 ASP A 106 3.211 -4.864 -19.511 1.00 0.79 H new ATOM 1777 N GLU A 107 6.406 -2.672 -20.074 1.00 0.71 N ATOM 1778 CA GLU A 107 7.335 -1.885 -19.272 1.00 0.69 C ATOM 1779 C GLU A 107 6.666 -1.190 -18.098 1.00 0.66 C ATOM 1780 O GLU A 107 7.164 -1.233 -16.973 1.00 0.63 O ATOM 1781 CB GLU A 107 8.041 -0.849 -20.141 1.00 0.73 C ATOM 1782 CG GLU A 107 8.850 -1.454 -21.276 1.00 1.63 C ATOM 1783 CD GLU A 107 9.859 -2.476 -20.792 1.00 2.35 C ATOM 1784 OE1 GLU A 107 10.580 -2.189 -19.813 1.00 3.18 O ATOM 1785 OE2 GLU A 107 9.945 -3.569 -21.386 1.00 2.65 O ATOM 0 H GLU A 107 6.390 -2.410 -21.060 1.00 0.71 H new ATOM 0 HA GLU A 107 8.060 -2.589 -18.863 1.00 0.69 H new ATOM 0 HB2 GLU A 107 7.297 -0.170 -20.558 1.00 0.73 H new ATOM 0 HB3 GLU A 107 8.702 -0.251 -19.514 1.00 0.73 H new ATOM 0 HG2 GLU A 107 8.173 -1.926 -21.988 1.00 1.63 H new ATOM 0 HG3 GLU A 107 9.371 -0.659 -21.810 1.00 1.63 H new ATOM 1792 N GLU A 108 5.535 -0.549 -18.364 1.00 0.67 N ATOM 1793 CA GLU A 108 4.775 0.126 -17.325 1.00 0.66 C ATOM 1794 C GLU A 108 4.433 -0.847 -16.202 1.00 0.58 C ATOM 1795 O GLU A 108 4.495 -0.498 -15.022 1.00 0.54 O ATOM 1796 CB GLU A 108 3.492 0.723 -17.904 1.00 0.76 C ATOM 1797 CG GLU A 108 3.730 1.704 -19.039 1.00 1.46 C ATOM 1798 CD GLU A 108 2.447 2.327 -19.553 1.00 2.09 C ATOM 1799 OE1 GLU A 108 1.666 1.625 -20.228 1.00 2.78 O ATOM 1800 OE2 GLU A 108 2.216 3.524 -19.291 1.00 2.40 O ATOM 0 H GLU A 108 5.124 -0.484 -19.295 1.00 0.67 H new ATOM 0 HA GLU A 108 5.387 0.932 -16.921 1.00 0.66 H new ATOM 0 HB2 GLU A 108 2.856 -0.086 -18.263 1.00 0.76 H new ATOM 0 HB3 GLU A 108 2.946 1.229 -17.108 1.00 0.76 H new ATOM 0 HG2 GLU A 108 4.401 2.493 -18.697 1.00 1.46 H new ATOM 0 HG3 GLU A 108 4.233 1.190 -19.858 1.00 1.46 H new ATOM 1807 N LYS A 109 4.073 -2.069 -16.577 1.00 0.59 N ATOM 1808 CA LYS A 109 3.731 -3.106 -15.621 1.00 0.55 C ATOM 1809 C LYS A 109 4.920 -3.480 -14.738 1.00 0.51 C ATOM 1810 O LYS A 109 4.789 -3.592 -13.519 1.00 0.48 O ATOM 1811 CB LYS A 109 3.185 -4.337 -16.354 1.00 0.58 C ATOM 1812 CG LYS A 109 1.840 -4.085 -17.015 1.00 0.65 C ATOM 1813 CD LYS A 109 1.264 -5.341 -17.644 1.00 1.22 C ATOM 1814 CE LYS A 109 -0.056 -5.056 -18.342 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.123 -4.216 -19.553 1.00 1.81 N ATOM 0 H LYS A 109 4.011 -2.365 -17.551 1.00 0.59 H new ATOM 0 HA LYS A 109 2.956 -2.713 -14.963 1.00 0.55 H new ATOM 0 HB2 LYS A 109 3.903 -4.650 -17.112 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.088 -5.161 -15.647 1.00 0.58 H new ATOM 0 HG2 LYS A 109 1.140 -3.698 -16.274 1.00 0.65 H new ATOM 0 HG3 LYS A 109 1.952 -3.316 -17.780 1.00 0.65 H new ATOM 0 HD2 LYS A 109 1.976 -5.750 -18.361 1.00 1.22 H new ATOM 0 HD3 LYS A 109 1.115 -6.099 -16.875 1.00 1.22 H new ATOM 0 HE2 LYS A 109 -0.529 -5.998 -18.621 1.00 1.11 H new ATOM 0 HE3 LYS A 109 -0.731 -4.553 -17.649 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 -0.789 -3.795 -19.822 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 0.808 -3.459 -19.352 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 0.476 -4.804 -20.334 1.00 1.81 H new ATOM 1829 N LYS A 110 6.087 -3.636 -15.343 1.00 0.53 N ATOM 1830 CA LYS A 110 7.274 -4.056 -14.601 1.00 0.53 C ATOM 1831 C LYS A 110 7.825 -2.920 -13.742 1.00 0.51 C ATOM 1832 O LYS A 110 8.591 -3.139 -12.799 1.00 0.51 O ATOM 1833 CB LYS A 110 8.376 -4.519 -15.552 1.00 0.56 C ATOM 1834 CG LYS A 110 7.984 -5.655 -16.485 1.00 0.62 C ATOM 1835 CD LYS A 110 9.154 -6.054 -17.376 1.00 0.80 C ATOM 1836 CE LYS A 110 9.632 -4.885 -18.227 1.00 0.81 C ATOM 1837 NZ LYS A 110 10.849 -5.213 -19.015 1.00 1.14 N ATOM 0 H LYS A 110 6.241 -3.480 -16.339 1.00 0.53 H new ATOM 0 HA LYS A 110 6.968 -4.881 -13.958 1.00 0.53 H new ATOM 0 HB2 LYS A 110 8.697 -3.669 -16.154 1.00 0.56 H new ATOM 0 HB3 LYS A 110 9.236 -4.834 -14.961 1.00 0.56 H new ATOM 0 HG2 LYS A 110 7.657 -6.515 -15.900 1.00 0.62 H new ATOM 0 HG3 LYS A 110 7.139 -5.349 -17.102 1.00 0.62 H new ATOM 0 HD2 LYS A 110 9.976 -6.416 -16.758 1.00 0.80 H new ATOM 0 HD3 LYS A 110 8.855 -6.878 -18.023 1.00 0.80 H new ATOM 0 HE2 LYS A 110 8.834 -4.584 -18.906 1.00 0.81 H new ATOM 0 HE3 LYS A 110 9.840 -4.032 -17.582 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 10.756 -4.824 -19.975 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 11.684 -4.799 -18.553 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 10.960 -6.246 -19.069 1.00 1.14 H new ATOM 1851 N GLN A 111 7.390 -1.714 -14.074 1.00 0.51 N ATOM 1852 CA GLN A 111 7.696 -0.543 -13.262 1.00 0.51 C ATOM 1853 C GLN A 111 6.985 -0.648 -11.910 1.00 0.50 C ATOM 1854 O GLN A 111 7.553 -0.296 -10.881 1.00 0.51 O ATOM 1855 CB GLN A 111 7.275 0.732 -14.000 1.00 0.52 C ATOM 1856 CG GLN A 111 8.303 1.853 -13.950 1.00 1.08 C ATOM 1857 CD GLN A 111 8.527 2.394 -12.553 1.00 1.23 C ATOM 1858 OE1 GLN A 111 7.849 3.324 -12.118 1.00 1.69 O ATOM 1859 NE2 GLN A 111 9.484 1.822 -11.843 1.00 1.61 N ATOM 0 H GLN A 111 6.824 -1.519 -14.900 1.00 0.51 H new ATOM 0 HA GLN A 111 8.771 -0.498 -13.086 1.00 0.51 H new ATOM 0 HB2 GLN A 111 7.075 0.485 -15.043 1.00 0.52 H new ATOM 0 HB3 GLN A 111 6.340 1.093 -13.572 1.00 0.52 H new ATOM 0 HG2 GLN A 111 9.250 1.487 -14.347 1.00 1.08 H new ATOM 0 HG3 GLN A 111 7.977 2.665 -14.600 1.00 1.08 H new ATOM 0 HE21 GLN A 111 10.024 1.053 -12.240 1.00 1.61 H new ATOM 0 HE22 GLN A 111 9.683 2.149 -10.898 1.00 1.61 H new ATOM 1868 N TYR A 112 5.764 -1.174 -11.903 1.00 0.50 N ATOM 1869 CA TYR A 112 5.019 -1.343 -10.651 1.00 0.49 C ATOM 1870 C TYR A 112 5.488 -2.601 -9.932 1.00 0.49 C ATOM 1871 O TYR A 112 5.367 -2.722 -8.716 1.00 0.50 O ATOM 1872 CB TYR A 112 3.514 -1.425 -10.908 1.00 0.49 C ATOM 1873 CG TYR A 112 2.923 -0.190 -11.557 1.00 0.57 C ATOM 1874 CD1 TYR A 112 3.414 1.080 -11.275 1.00 0.70 C ATOM 1875 CD2 TYR A 112 1.873 -0.299 -12.455 1.00 0.66 C ATOM 1876 CE1 TYR A 112 2.870 2.203 -11.871 1.00 0.82 C ATOM 1877 CE2 TYR A 112 1.323 0.816 -13.056 1.00 0.75 C ATOM 1878 CZ TYR A 112 1.826 2.064 -12.761 1.00 0.80 C ATOM 1879 OH TYR A 112 1.280 3.179 -13.355 1.00 0.92 O ATOM 0 H TYR A 112 5.270 -1.489 -12.738 1.00 0.50 H new ATOM 0 HA TYR A 112 5.211 -0.472 -10.025 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.313 -2.287 -11.544 1.00 0.49 H new ATOM 0 HB3 TYR A 112 3.005 -1.602 -9.961 1.00 0.49 H new ATOM 0 HD1 TYR A 112 4.233 1.191 -10.580 1.00 0.70 H new ATOM 0 HD2 TYR A 112 1.477 -1.276 -12.690 1.00 0.66 H new ATOM 0 HE1 TYR A 112 3.261 3.183 -11.641 1.00 0.82 H new ATOM 0 HE2 TYR A 112 0.504 0.710 -13.752 1.00 0.75 H new ATOM 0 HH TYR A 112 1.836 3.450 -14.115 1.00 0.92 H new ATOM 1889 N ILE A 113 6.024 -3.539 -10.690 1.00 0.49 N ATOM 1890 CA ILE A 113 6.575 -4.751 -10.113 1.00 0.51 C ATOM 1891 C ILE A 113 7.816 -4.433 -9.277 1.00 0.53 C ATOM 1892 O ILE A 113 8.015 -4.985 -8.194 1.00 0.54 O ATOM 1893 CB ILE A 113 6.918 -5.772 -11.203 1.00 0.57 C ATOM 1894 CG1 ILE A 113 5.640 -6.137 -11.950 1.00 0.63 C ATOM 1895 CG2 ILE A 113 7.578 -7.009 -10.605 1.00 0.59 C ATOM 1896 CD1 ILE A 113 5.845 -7.148 -13.042 1.00 0.72 C ATOM 0 H ILE A 113 6.090 -3.485 -11.706 1.00 0.49 H new ATOM 0 HA ILE A 113 5.817 -5.187 -9.462 1.00 0.51 H new ATOM 0 HB ILE A 113 7.633 -5.335 -11.900 1.00 0.57 H new ATOM 0 HG12 ILE A 113 4.913 -6.527 -11.238 1.00 0.63 H new ATOM 0 HG13 ILE A 113 5.211 -5.232 -12.381 1.00 0.63 H new ATOM 0 HG21 ILE A 113 7.811 -7.717 -11.400 1.00 0.59 H new ATOM 0 HG22 ILE A 113 8.497 -6.720 -10.095 1.00 0.59 H new ATOM 0 HG23 ILE A 113 6.898 -7.475 -9.892 1.00 0.59 H new ATOM 0 HD11 ILE A 113 4.892 -7.357 -13.528 1.00 0.72 H new ATOM 0 HD12 ILE A 113 6.547 -6.753 -13.776 1.00 0.72 H new ATOM 0 HD13 ILE A 113 6.245 -8.068 -12.616 1.00 0.72 H new ATOM 1908 N ALA A 114 8.644 -3.536 -9.795 1.00 0.56 N ATOM 1909 CA ALA A 114 9.793 -3.026 -9.057 1.00 0.59 C ATOM 1910 C ALA A 114 9.326 -2.089 -7.949 1.00 0.59 C ATOM 1911 O ALA A 114 9.868 -2.093 -6.844 1.00 0.60 O ATOM 1912 CB ALA A 114 10.724 -2.294 -10.012 1.00 0.63 C ATOM 0 H ALA A 114 8.540 -3.144 -10.731 1.00 0.56 H new ATOM 0 HA ALA A 114 10.331 -3.858 -8.603 1.00 0.59 H new ATOM 0 HB1 ALA A 114 11.584 -1.912 -9.461 1.00 0.63 H new ATOM 0 HB2 ALA A 114 11.065 -2.982 -10.786 1.00 0.63 H new ATOM 0 HB3 ALA A 114 10.191 -1.463 -10.474 1.00 0.63 H new ATOM 1918 N ASP A 115 8.315 -1.299 -8.255 1.00 0.61 N ATOM 1919 CA ASP A 115 7.846 -0.256 -7.350 1.00 0.66 C ATOM 1920 C ASP A 115 7.071 -0.837 -6.171 1.00 0.60 C ATOM 1921 O ASP A 115 7.449 -0.672 -5.012 1.00 0.59 O ATOM 1922 CB ASP A 115 6.953 0.708 -8.120 1.00 0.77 C ATOM 1923 CG ASP A 115 6.691 1.986 -7.369 1.00 1.03 C ATOM 1924 OD1 ASP A 115 5.759 2.021 -6.547 1.00 1.73 O ATOM 1925 OD2 ASP A 115 7.411 2.972 -7.619 1.00 1.20 O ATOM 0 H ASP A 115 7.796 -1.357 -9.131 1.00 0.61 H new ATOM 0 HA ASP A 115 8.716 0.266 -6.952 1.00 0.66 H new ATOM 0 HB2 ASP A 115 7.420 0.943 -9.077 1.00 0.77 H new ATOM 0 HB3 ASP A 115 6.004 0.220 -8.340 1.00 0.77 H new ATOM 1930 N PHE A 116 5.997 -1.533 -6.490 1.00 0.60 N ATOM 1931 CA PHE A 116 5.070 -2.011 -5.475 1.00 0.60 C ATOM 1932 C PHE A 116 5.325 -3.466 -5.115 1.00 0.56 C ATOM 1933 O PHE A 116 5.001 -3.883 -4.012 1.00 0.55 O ATOM 1934 CB PHE A 116 3.628 -1.830 -5.943 1.00 0.68 C ATOM 1935 CG PHE A 116 2.804 -0.952 -5.056 1.00 0.53 C ATOM 1936 CD1 PHE A 116 2.128 -1.486 -3.974 1.00 1.01 C ATOM 1937 CD2 PHE A 116 2.700 0.403 -5.312 1.00 1.11 C ATOM 1938 CE1 PHE A 116 1.358 -0.686 -3.158 1.00 1.29 C ATOM 1939 CE2 PHE A 116 1.930 1.213 -4.494 1.00 1.62 C ATOM 1940 CZ PHE A 116 1.258 0.663 -3.414 1.00 1.52 C ATOM 0 H PHE A 116 5.742 -1.782 -7.446 1.00 0.60 H new ATOM 0 HA PHE A 116 5.234 -1.414 -4.578 1.00 0.60 H new ATOM 0 HB2 PHE A 116 3.634 -1.409 -6.949 1.00 0.68 H new ATOM 0 HB3 PHE A 116 3.153 -2.809 -6.010 1.00 0.68 H new ATOM 0 HD1 PHE A 116 2.205 -2.543 -3.766 1.00 1.01 H new ATOM 0 HD2 PHE A 116 3.222 0.832 -6.154 1.00 1.11 H new ATOM 0 HE1 PHE A 116 0.833 -1.117 -2.318 1.00 1.29 H new ATOM 0 HE2 PHE A 116 1.853 2.271 -4.697 1.00 1.62 H new ATOM 0 HZ PHE A 116 0.657 1.292 -2.774 1.00 1.52 H new ATOM 1950 N GLY A 117 5.933 -4.214 -6.030 1.00 0.55 N ATOM 1951 CA GLY A 117 6.107 -5.660 -5.847 1.00 0.56 C ATOM 1952 C GLY A 117 6.582 -6.077 -4.451 1.00 0.54 C ATOM 1953 O GLY A 117 5.835 -6.724 -3.706 1.00 0.55 O ATOM 0 H GLY A 117 6.314 -3.850 -6.903 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.159 -6.155 -6.056 1.00 0.56 H new ATOM 0 HA3 GLY A 117 6.825 -6.022 -6.583 1.00 0.56 H new ATOM 1957 N PRO A 118 7.820 -5.716 -4.059 1.00 0.52 N ATOM 1958 CA PRO A 118 8.396 -6.124 -2.766 1.00 0.53 C ATOM 1959 C PRO A 118 7.585 -5.639 -1.567 1.00 0.46 C ATOM 1960 O PRO A 118 7.588 -6.266 -0.508 1.00 0.45 O ATOM 1961 CB PRO A 118 9.783 -5.474 -2.761 1.00 0.54 C ATOM 1962 CG PRO A 118 9.722 -4.404 -3.799 1.00 0.65 C ATOM 1963 CD PRO A 118 8.761 -4.896 -4.840 1.00 0.53 C ATOM 0 HA PRO A 118 8.414 -7.210 -2.671 1.00 0.53 H new ATOM 0 HB2 PRO A 118 10.019 -5.058 -1.781 1.00 0.54 H new ATOM 0 HB3 PRO A 118 10.559 -6.203 -2.993 1.00 0.54 H new ATOM 0 HG2 PRO A 118 9.383 -3.461 -3.369 1.00 0.65 H new ATOM 0 HG3 PRO A 118 10.706 -4.222 -4.231 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.256 -4.072 -5.345 1.00 0.53 H new ATOM 0 HD3 PRO A 118 9.264 -5.481 -5.610 1.00 0.53 H new ATOM 1971 N ALA A 119 6.884 -4.530 -1.736 1.00 0.46 N ATOM 1972 CA ALA A 119 6.086 -3.955 -0.664 1.00 0.42 C ATOM 1973 C ALA A 119 4.723 -4.629 -0.586 1.00 0.44 C ATOM 1974 O ALA A 119 4.170 -4.819 0.497 1.00 0.43 O ATOM 1975 CB ALA A 119 5.916 -2.461 -0.883 1.00 0.41 C ATOM 0 H ALA A 119 6.851 -4.007 -2.611 1.00 0.46 H new ATOM 0 HA ALA A 119 6.607 -4.120 0.279 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.317 -2.041 -0.075 1.00 0.41 H new ATOM 0 HB2 ALA A 119 6.895 -1.982 -0.897 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.414 -2.288 -1.835 1.00 0.41 H new ATOM 1981 N CYS A 120 4.203 -5.011 -1.745 1.00 0.47 N ATOM 1982 CA CYS A 120 3.014 -5.844 -1.825 1.00 0.50 C ATOM 1983 C CYS A 120 3.209 -7.138 -1.044 1.00 0.52 C ATOM 1984 O CYS A 120 2.257 -7.687 -0.505 1.00 0.53 O ATOM 1985 CB CYS A 120 2.681 -6.177 -3.280 1.00 0.56 C ATOM 1986 SG CYS A 120 2.067 -4.769 -4.254 1.00 1.17 S ATOM 0 H CYS A 120 4.593 -4.753 -2.652 1.00 0.47 H new ATOM 0 HA CYS A 120 2.187 -5.283 -1.389 1.00 0.50 H new ATOM 0 HB2 CYS A 120 3.574 -6.574 -3.762 1.00 0.56 H new ATOM 0 HB3 CYS A 120 1.931 -6.968 -3.296 1.00 0.56 H new ATOM 1991 N LYS A 121 4.449 -7.621 -0.993 1.00 0.54 N ATOM 1992 CA LYS A 121 4.762 -8.831 -0.230 1.00 0.58 C ATOM 1993 C LYS A 121 4.302 -8.721 1.225 1.00 0.59 C ATOM 1994 O LYS A 121 3.600 -9.600 1.715 1.00 0.65 O ATOM 1995 CB LYS A 121 6.259 -9.141 -0.286 1.00 0.63 C ATOM 1996 CG LYS A 121 6.772 -9.432 -1.690 1.00 1.01 C ATOM 1997 CD LYS A 121 6.161 -10.702 -2.269 1.00 1.04 C ATOM 1998 CE LYS A 121 6.679 -11.952 -1.572 1.00 1.37 C ATOM 1999 NZ LYS A 121 8.141 -12.141 -1.777 1.00 1.47 N ATOM 0 H LYS A 121 5.248 -7.199 -1.466 1.00 0.54 H new ATOM 0 HA LYS A 121 4.215 -9.651 -0.694 1.00 0.58 H new ATOM 0 HB2 LYS A 121 6.812 -8.296 0.125 1.00 0.63 H new ATOM 0 HB3 LYS A 121 6.467 -9.999 0.353 1.00 0.63 H new ATOM 0 HG2 LYS A 121 6.542 -8.589 -2.342 1.00 1.01 H new ATOM 0 HG3 LYS A 121 7.857 -9.530 -1.666 1.00 1.01 H new ATOM 0 HD2 LYS A 121 5.076 -10.658 -2.175 1.00 1.04 H new ATOM 0 HD3 LYS A 121 6.387 -10.760 -3.334 1.00 1.04 H new ATOM 0 HE2 LYS A 121 6.469 -11.885 -0.505 1.00 1.37 H new ATOM 0 HE3 LYS A 121 6.145 -12.824 -1.948 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 8.324 -13.113 -2.097 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 8.480 -11.470 -2.496 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 8.642 -11.971 -0.882 1.00 1.47 H new ATOM 2013 N LYS A 122 4.704 -7.649 1.917 1.00 0.54 N ATOM 2014 CA LYS A 122 4.253 -7.451 3.296 1.00 0.55 C ATOM 2015 C LYS A 122 2.754 -7.155 3.312 1.00 0.53 C ATOM 2016 O LYS A 122 2.074 -7.448 4.293 1.00 0.57 O ATOM 2017 CB LYS A 122 5.055 -6.360 4.021 1.00 0.52 C ATOM 2018 CG LYS A 122 4.861 -4.948 3.492 1.00 0.46 C ATOM 2019 CD LYS A 122 5.772 -3.964 4.218 1.00 0.47 C ATOM 2020 CE LYS A 122 5.485 -3.931 5.715 1.00 1.15 C ATOM 2021 NZ LYS A 122 6.477 -3.114 6.460 1.00 1.50 N ATOM 0 H LYS A 122 5.324 -6.924 1.556 1.00 0.54 H new ATOM 0 HA LYS A 122 4.434 -8.374 3.847 1.00 0.55 H new ATOM 0 HB2 LYS A 122 4.784 -6.375 5.077 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.114 -6.610 3.960 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.072 -4.924 2.423 1.00 0.46 H new ATOM 0 HG3 LYS A 122 3.821 -4.648 3.619 1.00 0.46 H new ATOM 0 HD2 LYS A 122 6.813 -4.242 4.053 1.00 0.47 H new ATOM 0 HD3 LYS A 122 5.638 -2.967 3.799 1.00 0.47 H new ATOM 0 HE2 LYS A 122 4.486 -3.528 5.883 1.00 1.15 H new ATOM 0 HE3 LYS A 122 5.488 -4.948 6.106 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 6.357 -3.269 7.481 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.438 -3.393 6.178 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 6.331 -2.107 6.243 1.00 1.50 H new ATOM 2035 N ILE A 123 2.250 -6.553 2.245 1.00 0.49 N ATOM 2036 CA ILE A 123 0.831 -6.220 2.162 1.00 0.48 C ATOM 2037 C ILE A 123 -0.048 -7.474 2.131 1.00 0.51 C ATOM 2038 O ILE A 123 -1.054 -7.597 2.824 1.00 0.54 O ATOM 2039 CB ILE A 123 0.528 -5.342 0.942 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.216 -3.989 1.110 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.975 -5.165 0.770 1.00 0.47 C ATOM 2042 CD1 ILE A 123 0.955 -3.036 -0.024 1.00 0.44 C ATOM 0 H ILE A 123 2.797 -6.285 1.427 1.00 0.49 H new ATOM 0 HA ILE A 123 0.593 -5.656 3.064 1.00 0.48 H new ATOM 0 HB ILE A 123 0.911 -5.828 0.045 1.00 0.46 H new ATOM 0 HG12 ILE A 123 0.880 -3.533 2.041 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.291 -4.146 1.202 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -1.170 -4.539 -0.101 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -1.442 -6.140 0.629 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -1.389 -4.689 1.659 1.00 0.47 H new ATOM 0 HD11 ILE A 123 1.475 -2.096 0.163 1.00 0.44 H new ATOM 0 HD12 ILE A 123 1.317 -3.471 -0.956 1.00 0.44 H new ATOM 0 HD13 ILE A 123 -0.116 -2.849 -0.103 1.00 0.44 H new ATOM 2054 N TYR A 124 0.411 -8.406 1.307 1.00 0.52 N ATOM 2055 CA TYR A 124 -0.132 -9.751 1.164 1.00 0.58 C ATOM 2056 C TYR A 124 0.456 -10.679 2.224 1.00 0.64 C ATOM 2057 O TYR A 124 0.330 -11.891 2.111 1.00 0.82 O ATOM 2058 CB TYR A 124 0.150 -10.296 -0.237 1.00 0.59 C ATOM 2059 CG TYR A 124 -0.619 -9.587 -1.333 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -2.001 -9.679 -1.409 1.00 1.14 C ATOM 2061 CD2 TYR A 124 0.041 -8.821 -2.288 1.00 0.95 C ATOM 2062 CE1 TYR A 124 -2.706 -9.032 -2.405 1.00 1.28 C ATOM 2063 CE2 TYR A 124 -0.658 -8.170 -3.288 1.00 1.05 C ATOM 2064 CZ TYR A 124 -2.028 -8.288 -3.350 1.00 0.95 C ATOM 2065 OH TYR A 124 -2.733 -7.635 -4.333 1.00 1.17 O ATOM 0 H TYR A 124 1.208 -8.238 0.692 1.00 0.52 H new ATOM 0 HA TYR A 124 -1.212 -9.704 1.306 1.00 0.58 H new ATOM 0 HB2 TYR A 124 1.217 -10.212 -0.442 1.00 0.59 H new ATOM 0 HB3 TYR A 124 -0.097 -11.357 -0.261 1.00 0.59 H new ATOM 0 HD1 TYR A 124 -2.535 -10.267 -0.677 1.00 1.14 H new ATOM 0 HD2 TYR A 124 1.117 -8.733 -2.248 1.00 0.95 H new ATOM 0 HE1 TYR A 124 -3.783 -9.108 -2.444 1.00 1.28 H new ATOM 0 HE2 TYR A 124 -0.131 -7.572 -4.017 1.00 1.05 H new ATOM 0 HH TYR A 124 -2.110 -7.155 -4.918 1.00 1.17 H new ATOM 2075 N GLY A 125 0.918 -10.059 3.317 1.00 0.73 N ATOM 2076 CA GLY A 125 2.044 -10.463 4.192 1.00 0.86 C ATOM 2077 C GLY A 125 2.598 -11.886 4.117 1.00 0.71 C ATOM 2078 O GLY A 125 3.059 -12.420 5.127 1.00 0.78 O ATOM 0 H GLY A 125 0.486 -9.195 3.644 1.00 0.73 H new ATOM 0 HA2 GLY A 125 2.871 -9.782 3.991 1.00 0.86 H new ATOM 0 HA3 GLY A 125 1.732 -10.290 5.222 1.00 0.86 H new ATOM 2082 N VAL A 126 2.537 -12.498 2.958 1.00 0.71 N ATOM 2083 CA VAL A 126 3.269 -13.735 2.673 1.00 0.84 C ATOM 2084 C VAL A 126 4.788 -13.489 2.666 1.00 0.99 C ATOM 2085 O VAL A 126 5.458 -13.674 1.648 1.00 1.53 O ATOM 2086 CB VAL A 126 2.854 -14.338 1.307 1.00 0.93 C ATOM 2087 CG1 VAL A 126 1.475 -14.974 1.394 1.00 1.38 C ATOM 2088 CG2 VAL A 126 2.883 -13.279 0.205 1.00 0.98 C ATOM 0 H VAL A 126 1.979 -12.160 2.174 1.00 0.71 H new ATOM 0 HA VAL A 126 3.017 -14.440 3.465 1.00 0.84 H new ATOM 0 HB VAL A 126 3.577 -15.113 1.053 1.00 0.93 H new ATOM 0 HG11 VAL A 126 1.205 -15.391 0.424 1.00 1.38 H new ATOM 0 HG12 VAL A 126 1.487 -15.769 2.140 1.00 1.38 H new ATOM 0 HG13 VAL A 126 0.743 -14.219 1.681 1.00 1.38 H new ATOM 0 HG21 VAL A 126 2.587 -13.731 -0.742 1.00 0.98 H new ATOM 0 HG22 VAL A 126 2.191 -12.475 0.455 1.00 0.98 H new ATOM 0 HG23 VAL A 126 3.891 -12.875 0.115 1.00 0.98 H new ATOM 2098 N HIS A 127 5.337 -13.081 3.804 1.00 1.01 N ATOM 2099 CA HIS A 127 6.757 -12.755 3.888 1.00 1.16 C ATOM 2100 C HIS A 127 7.370 -13.301 5.172 1.00 1.46 C ATOM 2101 O HIS A 127 6.696 -13.982 5.948 1.00 2.24 O ATOM 2102 CB HIS A 127 6.973 -11.231 3.792 1.00 1.47 C ATOM 2103 CG HIS A 127 6.521 -10.442 4.994 1.00 1.86 C ATOM 2104 ND1 HIS A 127 7.238 -9.380 5.508 1.00 2.31 N ATOM 2105 CD2 HIS A 127 5.416 -10.549 5.770 1.00 2.47 C ATOM 2106 CE1 HIS A 127 6.596 -8.876 6.544 1.00 2.66 C ATOM 2107 NE2 HIS A 127 5.488 -9.565 6.723 1.00 2.77 N ATOM 0 H HIS A 127 4.824 -12.968 4.678 1.00 1.01 H new ATOM 0 HA HIS A 127 7.259 -13.229 3.045 1.00 1.16 H new ATOM 0 HB2 HIS A 127 8.034 -11.040 3.630 1.00 1.47 H new ATOM 0 HB3 HIS A 127 6.444 -10.860 2.914 1.00 1.47 H new ATOM 0 HD2 HIS A 127 4.624 -11.275 5.659 1.00 2.47 H new ATOM 0 HE1 HIS A 127 6.923 -8.040 7.144 1.00 2.66 H new ATOM 0 HE2 HIS A 127 4.795 -9.395 7.452 1.00 2.77 H new ATOM 2116 N THR A 128 8.649 -12.991 5.383 1.00 1.60 N ATOM 2117 CA THR A 128 9.385 -13.440 6.560 1.00 2.21 C ATOM 2118 C THR A 128 9.584 -14.957 6.514 1.00 2.87 C ATOM 2119 O THR A 128 9.361 -15.674 7.494 1.00 3.63 O ATOM 2120 CB THR A 128 8.681 -13.008 7.867 1.00 2.81 C ATOM 2121 OG1 THR A 128 8.302 -11.627 7.769 1.00 3.28 O ATOM 2122 CG2 THR A 128 9.597 -13.179 9.074 1.00 3.47 C ATOM 0 H THR A 128 9.202 -12.422 4.742 1.00 1.60 H new ATOM 0 HA THR A 128 10.365 -12.963 6.550 1.00 2.21 H new ATOM 0 HB THR A 128 7.803 -13.640 8.002 1.00 2.81 H new ATOM 0 HG1 THR A 128 7.854 -11.351 8.596 1.00 3.28 H new ATOM 0 HG21 THR A 128 9.072 -12.866 9.977 1.00 3.47 H new ATOM 0 HG22 THR A 128 9.886 -14.226 9.166 1.00 3.47 H new ATOM 0 HG23 THR A 128 10.489 -12.567 8.943 1.00 3.47 H new ATOM 2130 N SER A 129 9.981 -15.434 5.341 1.00 3.24 N ATOM 2131 CA SER A 129 10.321 -16.832 5.130 1.00 4.34 C ATOM 2132 C SER A 129 11.205 -16.958 3.893 1.00 4.97 C ATOM 2133 O SER A 129 10.661 -17.129 2.784 1.00 5.24 O ATOM 2134 CB SER A 129 9.062 -17.692 4.975 1.00 5.03 C ATOM 2135 OG SER A 129 8.317 -17.732 6.183 1.00 5.11 O ATOM 2136 OXT SER A 129 12.442 -16.863 4.038 1.00 5.56 O ATOM 0 H SER A 129 10.076 -14.857 4.505 1.00 3.24 H new ATOM 0 HA SER A 129 10.863 -17.194 6.004 1.00 4.34 H new ATOM 0 HB2 SER A 129 8.441 -17.291 4.174 1.00 5.03 H new ATOM 0 HB3 SER A 129 9.343 -18.704 4.684 1.00 5.03 H new ATOM 0 HG SER A 129 8.792 -17.230 6.877 1.00 5.11 H new TER 2142 SER A 129