USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 913 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 105 LYS NZ :NH3+ 167:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 107 THR OG1 : rot -15:sc= 2.02 USER MOD Set 2.1: A 77 MET CE :methyl 151:sc= -1.37 (180deg=-3.62!) USER MOD Set 2.2: A 82 GLN : amide:sc= -0.96 X(o=-2.3,f=-2.7) USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.0245 X(o=-0.025,f=-0.14) USER MOD Single : A 20 LYS NZ :NH3+ -139:sc= -0.0761 (180deg=-0.522) USER MOD Single : A 21 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 30 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.88) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= 1.17 (180deg=0.992) USER MOD Single : A 34 HIS : no HD1:sc= 0.802 K(o=0.8,f=-4.3!) USER MOD Single : A 39 MET CE :methyl 137:sc= -0.226 (180deg=-0.954) USER MOD Single : A 41 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.2!) USER MOD Single : A 42 SER OG : rot 79:sc= 1.32 USER MOD Single : A 46 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.11) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0049 F(o=-1.2,f=-0.0049) USER MOD Single : A 51 SER OG : rot 87:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 136:sc= 1.27 (180deg=0.879) USER MOD Single : A 66 LYS NZ :NH3+ -163:sc= 1.27 (180deg=1.14) USER MOD Single : A 67 THR OG1 : rot -120:sc= -1.16 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.7!) USER MOD Single : A 73 TYR OH : rot -109:sc= 0.26 USER MOD Single : A 76 GLN : amide:sc= 0.191 K(o=0.19,f=-3.4!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= 1.13 (180deg=1.06) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.448 F(o=-1.1,f=-0.45) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -178:sc= 1.06 (180deg=1.01) USER MOD Single : A 100 SER OG : rot 68:sc= 1.31 USER MOD Single : A 101 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.27) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 7:sc= 0.167 USER MOD Single : A 106 THR OG1 : rot -24:sc= 0.648 USER MOD Single : A 108 THR OG1 : rot 140:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -160:sc= 1.14 (180deg=0.781) USER MOD Single : A 112 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 10.006 -12.875 32.487 1.00 0.00 N ATOM 2 CA GLY A 0 10.021 -12.309 31.144 1.00 0.00 C ATOM 3 C GLY A 0 8.952 -12.904 30.262 1.00 0.00 C ATOM 4 O GLY A 0 7.917 -12.273 30.002 1.00 0.00 O ATOM 0 H1 GLY A 0 10.757 -12.436 33.057 1.00 0.00 H new ATOM 0 H2 GLY A 0 9.083 -12.692 32.931 1.00 0.00 H new ATOM 0 H3 GLY A 0 10.167 -13.901 32.433 1.00 0.00 H new ATOM 0 HA2 GLY A 0 9.880 -11.230 31.205 1.00 0.00 H new ATOM 0 HA3 GLY A 0 10.998 -12.478 30.692 1.00 0.00 H new ATOM 10 N SER A 1 9.173 -14.136 29.831 1.00 0.00 N ATOM 11 CA SER A 1 8.285 -14.839 28.925 1.00 0.00 C ATOM 12 C SER A 1 6.848 -14.961 29.470 1.00 0.00 C ATOM 13 O SER A 1 5.898 -14.950 28.699 1.00 0.00 O ATOM 14 CB SER A 1 8.877 -16.206 28.604 1.00 0.00 C ATOM 15 OG SER A 1 10.219 -16.057 28.129 1.00 0.00 O ATOM 0 H SER A 1 9.989 -14.683 30.107 1.00 0.00 H new ATOM 0 HA SER A 1 8.203 -14.253 28.010 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.865 -16.835 29.494 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.269 -16.707 27.851 1.00 0.00 H new ATOM 0 HG SER A 1 10.594 -16.939 27.926 1.00 0.00 H new ATOM 21 N ALA A 2 6.695 -15.017 30.790 1.00 0.00 N ATOM 22 CA ALA A 2 5.371 -15.118 31.396 1.00 0.00 C ATOM 23 C ALA A 2 4.559 -13.849 31.147 1.00 0.00 C ATOM 24 O ALA A 2 3.361 -13.914 30.843 1.00 0.00 O ATOM 25 CB ALA A 2 5.465 -15.412 32.880 1.00 0.00 C ATOM 0 H ALA A 2 7.466 -14.994 31.457 1.00 0.00 H new ATOM 0 HA ALA A 2 4.854 -15.953 30.922 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.462 -15.481 33.301 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.988 -16.356 33.031 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.012 -14.610 33.376 1.00 0.00 H new ATOM 31 N ASP A 3 5.221 -12.706 31.235 1.00 0.00 N ATOM 32 CA ASP A 3 4.573 -11.413 30.985 1.00 0.00 C ATOM 33 C ASP A 3 4.322 -11.242 29.489 1.00 0.00 C ATOM 34 O ASP A 3 3.366 -10.586 29.071 1.00 0.00 O ATOM 35 CB ASP A 3 5.421 -10.250 31.529 1.00 0.00 C ATOM 36 CG ASP A 3 4.803 -8.887 31.278 1.00 0.00 C ATOM 37 OD1 ASP A 3 3.926 -8.446 32.067 1.00 0.00 O ATOM 38 OD2 ASP A 3 5.180 -8.218 30.303 1.00 0.00 O ATOM 0 H ASP A 3 6.209 -12.640 31.478 1.00 0.00 H new ATOM 0 HA ASP A 3 3.618 -11.398 31.511 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.564 -10.384 32.601 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.409 -10.284 31.069 1.00 0.00 H new ATOM 43 N GLU A 4 5.174 -11.864 28.695 1.00 0.00 N ATOM 44 CA GLU A 4 5.029 -11.870 27.253 1.00 0.00 C ATOM 45 C GLU A 4 3.752 -12.621 26.862 1.00 0.00 C ATOM 46 O GLU A 4 2.952 -12.133 26.076 1.00 0.00 O ATOM 47 CB GLU A 4 6.226 -12.532 26.603 1.00 0.00 C ATOM 48 CG GLU A 4 6.147 -12.566 25.100 1.00 0.00 C ATOM 49 CD GLU A 4 7.248 -13.355 24.499 1.00 0.00 C ATOM 50 OE1 GLU A 4 8.341 -12.806 24.293 1.00 0.00 O ATOM 51 OE2 GLU A 4 7.038 -14.546 24.198 1.00 0.00 O ATOM 0 H GLU A 4 5.987 -12.380 29.033 1.00 0.00 H new ATOM 0 HA GLU A 4 4.965 -10.839 26.906 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.131 -12.002 26.900 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.316 -13.552 26.978 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.190 -12.992 24.798 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.179 -11.547 24.713 1.00 0.00 H new ATOM 58 N GLU A 5 3.568 -13.806 27.433 1.00 0.00 N ATOM 59 CA GLU A 5 2.358 -14.598 27.201 1.00 0.00 C ATOM 60 C GLU A 5 1.152 -13.804 27.650 1.00 0.00 C ATOM 61 O GLU A 5 0.116 -13.787 26.993 1.00 0.00 O ATOM 62 CB GLU A 5 2.412 -15.904 27.987 1.00 0.00 C ATOM 63 CG GLU A 5 3.598 -16.774 27.654 1.00 0.00 C ATOM 64 CD GLU A 5 3.680 -17.990 28.532 1.00 0.00 C ATOM 65 OE1 GLU A 5 3.855 -17.834 29.763 1.00 0.00 O ATOM 66 OE2 GLU A 5 3.629 -19.122 28.004 1.00 0.00 O ATOM 0 H GLU A 5 4.241 -14.243 28.062 1.00 0.00 H new ATOM 0 HA GLU A 5 2.288 -14.828 26.138 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.431 -15.674 29.052 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.498 -16.467 27.799 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.535 -17.085 26.611 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.513 -16.191 27.758 1.00 0.00 H new ATOM 73 N LEU A 6 1.326 -13.105 28.757 1.00 0.00 N ATOM 74 CA LEU A 6 0.288 -12.298 29.342 1.00 0.00 C ATOM 75 C LEU A 6 -0.114 -11.180 28.372 1.00 0.00 C ATOM 76 O LEU A 6 -1.320 -10.956 28.148 1.00 0.00 O ATOM 77 CB LEU A 6 0.768 -11.748 30.718 1.00 0.00 C ATOM 78 CG LEU A 6 -0.275 -11.126 31.689 1.00 0.00 C ATOM 79 CD1 LEU A 6 -0.866 -9.822 31.172 1.00 0.00 C ATOM 80 CD2 LEU A 6 -1.376 -12.129 32.011 1.00 0.00 C ATOM 0 H LEU A 6 2.204 -13.086 29.276 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.601 -12.902 29.522 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.261 -12.565 31.245 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.527 -10.991 30.522 1.00 0.00 H new ATOM 0 HG LEU A 6 0.261 -10.880 32.606 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.587 -9.438 31.894 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.069 -9.092 31.031 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.366 -10.001 30.220 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.095 -11.674 32.692 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.882 -12.422 31.091 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.939 -13.010 32.481 1.00 0.00 H new ATOM 92 N GLU A 7 0.883 -10.499 27.762 1.00 0.00 N ATOM 93 CA GLU A 7 0.571 -9.424 26.836 1.00 0.00 C ATOM 94 C GLU A 7 -0.070 -9.987 25.587 1.00 0.00 C ATOM 95 O GLU A 7 -0.945 -9.378 25.036 1.00 0.00 O ATOM 96 CB GLU A 7 1.775 -8.529 26.448 1.00 0.00 C ATOM 97 CG GLU A 7 2.785 -9.173 25.518 1.00 0.00 C ATOM 98 CD GLU A 7 3.743 -8.197 24.911 1.00 0.00 C ATOM 99 OE1 GLU A 7 3.362 -7.499 23.934 1.00 0.00 O ATOM 100 OE2 GLU A 7 4.904 -8.124 25.353 1.00 0.00 O ATOM 0 H GLU A 7 1.878 -10.679 27.898 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.121 -8.773 27.370 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.396 -7.623 25.975 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.288 -8.223 27.360 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.347 -9.926 26.070 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.254 -9.692 24.721 1.00 0.00 H new ATOM 107 N ALA A 8 0.371 -11.167 25.168 1.00 0.00 N ATOM 108 CA ALA A 8 -0.174 -11.830 23.991 1.00 0.00 C ATOM 109 C ALA A 8 -1.661 -12.081 24.184 1.00 0.00 C ATOM 110 O ALA A 8 -2.480 -11.711 23.335 1.00 0.00 O ATOM 111 CB ALA A 8 0.570 -13.127 23.725 1.00 0.00 C ATOM 0 H ALA A 8 1.114 -11.689 25.633 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.044 -11.185 23.122 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.152 -13.612 22.843 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.625 -12.913 23.556 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.467 -13.788 24.585 1.00 0.00 H new ATOM 117 N LEU A 9 -2.005 -12.666 25.331 1.00 0.00 N ATOM 118 CA LEU A 9 -3.385 -12.902 25.720 1.00 0.00 C ATOM 119 C LEU A 9 -4.151 -11.574 25.730 1.00 0.00 C ATOM 120 O LEU A 9 -5.228 -11.452 25.164 1.00 0.00 O ATOM 121 CB LEU A 9 -3.419 -13.518 27.126 1.00 0.00 C ATOM 122 CG LEU A 9 -2.738 -14.881 27.307 1.00 0.00 C ATOM 123 CD1 LEU A 9 -2.708 -15.262 28.774 1.00 0.00 C ATOM 124 CD2 LEU A 9 -3.454 -15.955 26.508 1.00 0.00 C ATOM 0 H LEU A 9 -1.324 -12.990 26.018 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.850 -13.584 25.008 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.955 -12.813 27.816 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.462 -13.618 27.427 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.716 -14.801 26.938 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.222 -16.231 28.888 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.153 -14.509 29.334 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.727 -15.320 29.156 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.952 -16.912 26.653 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.487 -16.032 26.846 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.437 -15.693 25.450 1.00 0.00 H new ATOM 136 N ARG A 10 -3.553 -10.585 26.367 1.00 0.00 N ATOM 137 CA ARG A 10 -4.095 -9.227 26.497 1.00 0.00 C ATOM 138 C ARG A 10 -4.363 -8.593 25.124 1.00 0.00 C ATOM 139 O ARG A 10 -5.457 -8.112 24.864 1.00 0.00 O ATOM 140 CB ARG A 10 -3.095 -8.413 27.321 1.00 0.00 C ATOM 141 CG ARG A 10 -3.299 -6.914 27.410 1.00 0.00 C ATOM 142 CD ARG A 10 -2.242 -6.354 28.344 1.00 0.00 C ATOM 143 NE ARG A 10 -2.117 -4.898 28.311 1.00 0.00 N ATOM 144 CZ ARG A 10 -1.566 -4.180 29.301 1.00 0.00 C ATOM 145 NH1 ARG A 10 -1.381 -4.729 30.501 1.00 0.00 N ATOM 146 NH2 ARG A 10 -1.243 -2.911 29.107 1.00 0.00 N ATOM 0 H ARG A 10 -2.649 -10.698 26.825 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.060 -9.249 27.002 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.097 -8.811 28.336 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.101 -8.591 26.910 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.216 -6.458 26.423 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.297 -6.686 27.783 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.474 -6.664 29.363 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.278 -6.795 28.089 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.467 -4.402 27.492 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.658 -5.696 30.668 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.962 -4.182 31.253 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.413 -2.474 28.201 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.824 -2.370 29.864 1.00 0.00 H new ATOM 160 N ARG A 11 -3.378 -8.654 24.260 1.00 0.00 N ATOM 161 CA ARG A 11 -3.441 -8.103 22.912 1.00 0.00 C ATOM 162 C ARG A 11 -4.479 -8.804 22.054 1.00 0.00 C ATOM 163 O ARG A 11 -5.241 -8.138 21.336 1.00 0.00 O ATOM 164 CB ARG A 11 -2.064 -8.169 22.261 1.00 0.00 C ATOM 165 CG ARG A 11 -1.072 -7.194 22.861 1.00 0.00 C ATOM 166 CD ARG A 11 0.360 -7.552 22.514 1.00 0.00 C ATOM 167 NE ARG A 11 0.602 -7.692 21.077 1.00 0.00 N ATOM 168 CZ ARG A 11 1.777 -8.050 20.549 1.00 0.00 C ATOM 169 NH1 ARG A 11 2.856 -8.150 21.329 1.00 0.00 N ATOM 170 NH2 ARG A 11 1.876 -8.270 19.238 1.00 0.00 N ATOM 0 H ARG A 11 -2.485 -9.098 24.473 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.751 -7.061 22.991 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.672 -9.181 22.357 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.163 -7.966 21.195 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.291 -6.188 22.503 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.189 -7.179 23.945 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.023 -6.784 22.912 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.621 -8.487 23.010 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.173 -7.505 20.440 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.784 -7.953 22.327 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.753 -8.423 20.927 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.056 -8.165 18.640 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.771 -8.543 18.833 1.00 0.00 H new ATOM 184 N GLN A 12 -4.527 -10.128 22.124 1.00 0.00 N ATOM 185 CA GLN A 12 -5.505 -10.877 21.357 1.00 0.00 C ATOM 186 C GLN A 12 -6.900 -10.577 21.874 1.00 0.00 C ATOM 187 O GLN A 12 -7.798 -10.296 21.103 1.00 0.00 O ATOM 188 CB GLN A 12 -5.229 -12.386 21.387 1.00 0.00 C ATOM 189 CG GLN A 12 -6.149 -13.191 20.469 1.00 0.00 C ATOM 190 CD GLN A 12 -5.865 -14.681 20.481 1.00 0.00 C ATOM 191 OE1 GLN A 12 -6.449 -15.444 21.264 1.00 0.00 O ATOM 192 NE2 GLN A 12 -4.963 -15.106 19.645 1.00 0.00 N ATOM 0 H GLN A 12 -3.906 -10.698 22.699 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.429 -10.561 20.317 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.193 -12.564 21.098 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.341 -12.748 22.409 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.184 -13.024 20.768 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.048 -12.818 19.450 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.502 -14.450 19.015 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.717 -16.095 19.620 1.00 0.00 H new ATOM 201 N ARG A 13 -7.052 -10.581 23.193 1.00 0.00 N ATOM 202 CA ARG A 13 -8.330 -10.293 23.843 1.00 0.00 C ATOM 203 C ARG A 13 -8.818 -8.902 23.466 1.00 0.00 C ATOM 204 O ARG A 13 -9.998 -8.710 23.175 1.00 0.00 O ATOM 205 CB ARG A 13 -8.180 -10.412 25.363 1.00 0.00 C ATOM 206 CG ARG A 13 -9.456 -10.207 26.168 1.00 0.00 C ATOM 207 CD ARG A 13 -10.559 -11.164 25.745 1.00 0.00 C ATOM 208 NE ARG A 13 -10.114 -12.561 25.724 1.00 0.00 N ATOM 209 CZ ARG A 13 -10.517 -13.512 26.561 1.00 0.00 C ATOM 210 NH1 ARG A 13 -11.170 -13.200 27.677 1.00 0.00 N ATOM 211 NH2 ARG A 13 -10.216 -14.777 26.304 1.00 0.00 N ATOM 0 H ARG A 13 -6.294 -10.784 23.845 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.069 -11.019 23.503 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.780 -11.399 25.594 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.441 -9.683 25.695 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.242 -10.347 27.228 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.801 -9.180 26.045 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.403 -11.065 26.428 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.917 -10.885 24.754 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.438 -12.825 25.007 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.366 -12.224 27.897 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.475 -13.937 28.313 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.679 -15.014 25.470 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.521 -15.513 26.941 1.00 0.00 H new ATOM 225 N LEU A 14 -7.887 -7.960 23.437 1.00 0.00 N ATOM 226 CA LEU A 14 -8.153 -6.580 23.074 1.00 0.00 C ATOM 227 C LEU A 14 -8.751 -6.525 21.667 1.00 0.00 C ATOM 228 O LEU A 14 -9.701 -5.787 21.400 1.00 0.00 O ATOM 229 CB LEU A 14 -6.834 -5.796 23.108 1.00 0.00 C ATOM 230 CG LEU A 14 -6.921 -4.286 22.955 1.00 0.00 C ATOM 231 CD1 LEU A 14 -7.628 -3.688 24.148 1.00 0.00 C ATOM 232 CD2 LEU A 14 -5.535 -3.694 22.811 1.00 0.00 C ATOM 0 H LEU A 14 -6.910 -8.138 23.669 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.861 -6.141 23.777 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.337 -6.012 24.054 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.192 -6.180 22.315 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.491 -4.053 22.056 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.687 -2.606 24.031 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.634 -4.100 24.219 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.074 -3.926 25.056 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.611 -2.612 22.702 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.945 -3.929 23.697 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.050 -4.114 21.930 1.00 0.00 H new ATOM 244 N ALA A 15 -8.204 -7.342 20.793 1.00 0.00 N ATOM 245 CA ALA A 15 -8.644 -7.432 19.422 1.00 0.00 C ATOM 246 C ALA A 15 -9.978 -8.180 19.303 1.00 0.00 C ATOM 247 O ALA A 15 -10.833 -7.790 18.524 1.00 0.00 O ATOM 248 CB ALA A 15 -7.576 -8.089 18.556 1.00 0.00 C ATOM 0 H ALA A 15 -7.432 -7.969 21.020 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.806 -6.416 19.061 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.928 -8.147 17.526 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.662 -7.497 18.594 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.374 -9.094 18.928 1.00 0.00 H new ATOM 254 N GLU A 16 -10.159 -9.238 20.091 1.00 0.00 N ATOM 255 CA GLU A 16 -11.395 -10.041 20.055 1.00 0.00 C ATOM 256 C GLU A 16 -12.572 -9.251 20.577 1.00 0.00 C ATOM 257 O GLU A 16 -13.676 -9.306 20.038 1.00 0.00 O ATOM 258 CB GLU A 16 -11.245 -11.329 20.854 1.00 0.00 C ATOM 259 CG GLU A 16 -10.089 -12.160 20.397 1.00 0.00 C ATOM 260 CD GLU A 16 -10.094 -13.553 20.969 1.00 0.00 C ATOM 261 OE1 GLU A 16 -9.667 -13.745 22.132 1.00 0.00 O ATOM 262 OE2 GLU A 16 -10.536 -14.493 20.264 1.00 0.00 O ATOM 0 H GLU A 16 -9.468 -9.565 20.766 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.579 -10.300 19.012 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.117 -11.085 21.909 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.162 -11.912 20.771 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.102 -12.221 19.309 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.160 -11.663 20.677 1.00 0.00 H new ATOM 269 N LEU A 17 -12.323 -8.526 21.624 1.00 0.00 N ATOM 270 CA LEU A 17 -13.311 -7.645 22.233 1.00 0.00 C ATOM 271 C LEU A 17 -13.522 -6.438 21.290 1.00 0.00 C ATOM 272 O LEU A 17 -14.602 -5.825 21.242 1.00 0.00 O ATOM 273 CB LEU A 17 -12.790 -7.223 23.649 1.00 0.00 C ATOM 274 CG LEU A 17 -13.751 -6.515 24.650 1.00 0.00 C ATOM 275 CD1 LEU A 17 -14.083 -5.090 24.246 1.00 0.00 C ATOM 276 CD2 LEU A 17 -15.021 -7.329 24.850 1.00 0.00 C ATOM 0 H LEU A 17 -11.419 -8.519 22.097 1.00 0.00 H new ATOM 0 HA LEU A 17 -14.275 -8.136 22.370 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.416 -8.122 24.139 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.935 -6.564 23.497 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.218 -6.453 25.599 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.756 -4.650 24.982 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.166 -4.503 24.196 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.566 -5.092 23.269 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -15.676 -6.814 25.553 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -15.533 -7.445 23.895 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.765 -8.312 25.246 1.00 0.00 H new ATOM 288 N GLN A 18 -12.487 -6.183 20.511 1.00 0.00 N ATOM 289 CA GLN A 18 -12.376 -5.098 19.552 1.00 0.00 C ATOM 290 C GLN A 18 -12.409 -3.767 20.254 1.00 0.00 C ATOM 291 O GLN A 18 -13.348 -2.983 20.116 1.00 0.00 O ATOM 292 CB GLN A 18 -13.396 -5.153 18.393 1.00 0.00 C ATOM 293 CG GLN A 18 -13.003 -4.239 17.224 1.00 0.00 C ATOM 294 CD GLN A 18 -14.059 -4.112 16.135 1.00 0.00 C ATOM 295 OE1 GLN A 18 -14.864 -5.019 15.894 1.00 0.00 O ATOM 296 NE2 GLN A 18 -14.056 -2.993 15.456 1.00 0.00 N ATOM 0 H GLN A 18 -11.649 -6.764 20.532 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.407 -5.228 19.071 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.481 -6.179 18.036 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.379 -4.862 18.764 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.782 -3.246 17.615 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.083 -4.617 16.778 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.379 -2.263 15.679 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.731 -2.851 14.704 1.00 0.00 H new ATOM 305 N ALA A 19 -11.444 -3.561 21.083 1.00 0.00 N ATOM 306 CA ALA A 19 -11.296 -2.303 21.723 1.00 0.00 C ATOM 307 C ALA A 19 -10.342 -1.519 20.886 1.00 0.00 C ATOM 308 O ALA A 19 -9.335 -2.075 20.417 1.00 0.00 O ATOM 309 CB ALA A 19 -10.785 -2.464 23.139 1.00 0.00 C ATOM 0 H ALA A 19 -10.741 -4.256 21.334 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.254 -1.790 21.807 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.682 -1.483 23.602 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.490 -3.065 23.714 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.815 -2.960 23.121 1.00 0.00 H new ATOM 315 N LYS A 20 -10.652 -0.268 20.667 1.00 0.00 N ATOM 316 CA LYS A 20 -9.865 0.561 19.801 1.00 0.00 C ATOM 317 C LYS A 20 -8.465 0.723 20.366 1.00 0.00 C ATOM 318 O LYS A 20 -7.494 0.227 19.772 1.00 0.00 O ATOM 319 CB LYS A 20 -10.568 1.918 19.569 1.00 0.00 C ATOM 320 CG LYS A 20 -9.861 2.870 18.599 1.00 0.00 C ATOM 321 CD LYS A 20 -10.715 4.110 18.337 1.00 0.00 C ATOM 322 CE LYS A 20 -10.030 5.109 17.403 1.00 0.00 C ATOM 323 NZ LYS A 20 -8.846 5.754 18.023 1.00 0.00 N ATOM 0 H LYS A 20 -11.456 0.201 21.084 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.769 0.082 18.827 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.574 1.727 19.195 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.676 2.421 20.530 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.897 3.167 19.012 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.660 2.356 17.659 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.667 3.806 17.902 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.939 4.599 19.285 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.723 4.596 16.491 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.746 5.877 17.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.832 6.764 17.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.896 5.650 19.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.979 5.300 17.671 1.00 0.00 H new ATOM 337 N HIS A 21 -8.363 1.383 21.544 1.00 0.00 N ATOM 338 CA HIS A 21 -7.066 1.655 22.214 1.00 0.00 C ATOM 339 C HIS A 21 -6.132 2.337 21.194 1.00 0.00 C ATOM 340 O HIS A 21 -4.902 2.219 21.229 1.00 0.00 O ATOM 341 CB HIS A 21 -6.475 0.317 22.758 1.00 0.00 C ATOM 342 CG HIS A 21 -5.218 0.445 23.582 1.00 0.00 C ATOM 343 ND1 HIS A 21 -4.034 -0.160 23.244 1.00 0.00 N ATOM 344 CD2 HIS A 21 -4.981 1.083 24.748 1.00 0.00 C ATOM 345 CE1 HIS A 21 -3.129 0.099 24.156 1.00 0.00 C ATOM 346 NE2 HIS A 21 -3.675 0.852 25.079 1.00 0.00 N ATOM 0 H HIS A 21 -9.170 1.740 22.055 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.190 2.323 23.067 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.236 -0.175 23.363 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -6.268 -0.338 21.912 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -5.691 1.667 25.314 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.107 -0.249 24.148 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -3.202 1.208 25.910 1.00 0.00 H new ATOM 355 N GLY A 22 -6.754 3.111 20.334 1.00 0.00 N ATOM 356 CA GLY A 22 -6.093 3.667 19.209 1.00 0.00 C ATOM 357 C GLY A 22 -5.618 5.044 19.449 1.00 0.00 C ATOM 358 O GLY A 22 -6.140 5.997 18.870 1.00 0.00 O ATOM 0 H GLY A 22 -7.739 3.365 20.409 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.245 3.036 18.943 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.772 3.665 18.356 1.00 0.00 H new ATOM 362 N ASP A 23 -4.697 5.161 20.338 1.00 0.00 N ATOM 363 CA ASP A 23 -4.013 6.393 20.571 1.00 0.00 C ATOM 364 C ASP A 23 -2.550 6.185 20.178 1.00 0.00 C ATOM 365 O ASP A 23 -1.756 5.614 20.920 1.00 0.00 O ATOM 366 CB ASP A 23 -4.171 6.883 22.040 1.00 0.00 C ATOM 367 CG ASP A 23 -3.540 5.982 23.089 1.00 0.00 C ATOM 368 OD1 ASP A 23 -3.797 4.756 23.078 1.00 0.00 O ATOM 369 OD2 ASP A 23 -2.758 6.486 23.931 1.00 0.00 O ATOM 0 H ASP A 23 -4.389 4.394 20.936 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.449 7.186 19.964 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.732 7.877 22.125 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.234 6.984 22.261 1.00 0.00 H new ATOM 374 N PRO A 24 -2.201 6.508 18.931 1.00 0.00 N ATOM 375 CA PRO A 24 -0.832 6.373 18.446 1.00 0.00 C ATOM 376 C PRO A 24 0.128 7.360 19.128 1.00 0.00 C ATOM 377 O PRO A 24 1.344 7.170 19.117 1.00 0.00 O ATOM 378 CB PRO A 24 -0.957 6.663 16.943 1.00 0.00 C ATOM 379 CG PRO A 24 -2.398 6.463 16.643 1.00 0.00 C ATOM 380 CD PRO A 24 -3.109 6.945 17.860 1.00 0.00 C ATOM 0 HA PRO A 24 -0.412 5.391 18.661 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.640 7.679 16.707 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.332 5.990 16.356 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.700 7.025 15.759 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.619 5.414 16.445 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.243 8.027 17.854 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.100 6.501 17.957 1.00 0.00 H new ATOM 388 N GLY A 25 -0.421 8.401 19.711 1.00 0.00 N ATOM 389 CA GLY A 25 0.383 9.349 20.434 1.00 0.00 C ATOM 390 C GLY A 25 0.915 10.453 19.557 1.00 0.00 C ATOM 391 O GLY A 25 2.119 10.683 19.518 1.00 0.00 O ATOM 0 H GLY A 25 -1.419 8.609 19.697 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.211 9.784 21.238 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.219 8.828 20.901 1.00 0.00 H new ATOM 395 N ASP A 26 0.010 11.104 18.832 1.00 0.00 N ATOM 396 CA ASP A 26 0.297 12.281 17.960 1.00 0.00 C ATOM 397 C ASP A 26 1.258 11.988 16.793 1.00 0.00 C ATOM 398 O ASP A 26 0.834 11.903 15.647 1.00 0.00 O ATOM 399 CB ASP A 26 0.768 13.503 18.774 1.00 0.00 C ATOM 400 CG ASP A 26 0.992 14.741 17.922 1.00 0.00 C ATOM 401 OD1 ASP A 26 0.045 15.537 17.741 1.00 0.00 O ATOM 402 OD2 ASP A 26 2.121 14.950 17.435 1.00 0.00 O ATOM 0 H ASP A 26 -0.974 10.835 18.822 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.661 12.523 17.500 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.027 13.727 19.541 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.695 13.252 19.290 1.00 0.00 H new ATOM 407 N ALA A 27 2.519 11.783 17.097 1.00 0.00 N ATOM 408 CA ALA A 27 3.561 11.562 16.092 1.00 0.00 C ATOM 409 C ALA A 27 3.253 10.346 15.236 1.00 0.00 C ATOM 410 O ALA A 27 3.438 10.356 14.007 1.00 0.00 O ATOM 411 CB ALA A 27 4.908 11.387 16.769 1.00 0.00 C ATOM 0 H ALA A 27 2.865 11.763 18.056 1.00 0.00 H new ATOM 0 HA ALA A 27 3.592 12.436 15.442 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.676 11.223 16.013 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.147 12.284 17.341 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.869 10.528 17.439 1.00 0.00 H new ATOM 417 N ALA A 28 2.738 9.323 15.870 1.00 0.00 N ATOM 418 CA ALA A 28 2.440 8.101 15.183 1.00 0.00 C ATOM 419 C ALA A 28 1.143 8.201 14.369 1.00 0.00 C ATOM 420 O ALA A 28 0.977 7.520 13.375 1.00 0.00 O ATOM 421 CB ALA A 28 2.427 6.922 16.135 1.00 0.00 C ATOM 0 H ALA A 28 2.517 9.317 16.866 1.00 0.00 H new ATOM 0 HA ALA A 28 3.242 7.927 14.466 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.198 6.011 15.583 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.405 6.824 16.607 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.669 7.082 16.902 1.00 0.00 H new ATOM 427 N GLN A 29 0.232 9.080 14.770 1.00 0.00 N ATOM 428 CA GLN A 29 -1.016 9.211 14.038 1.00 0.00 C ATOM 429 C GLN A 29 -0.806 10.083 12.811 1.00 0.00 C ATOM 430 O GLN A 29 -1.533 9.984 11.826 1.00 0.00 O ATOM 431 CB GLN A 29 -2.178 9.730 14.902 1.00 0.00 C ATOM 432 CG GLN A 29 -2.064 11.169 15.336 1.00 0.00 C ATOM 433 CD GLN A 29 -3.212 11.603 16.195 1.00 0.00 C ATOM 434 OE1 GLN A 29 -3.156 11.500 17.411 1.00 0.00 O ATOM 435 NE2 GLN A 29 -4.258 12.062 15.578 1.00 0.00 N ATOM 0 H GLN A 29 0.331 9.696 15.577 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.311 8.210 13.723 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.107 9.608 14.344 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.256 9.104 15.791 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.132 11.307 15.884 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.013 11.808 14.454 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.261 12.131 14.560 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.077 12.354 16.111 1.00 0.00 H new ATOM 444 N GLN A 30 0.194 10.944 12.881 1.00 0.00 N ATOM 445 CA GLN A 30 0.539 11.788 11.764 1.00 0.00 C ATOM 446 C GLN A 30 1.205 10.941 10.692 1.00 0.00 C ATOM 447 O GLN A 30 0.937 11.105 9.503 1.00 0.00 O ATOM 448 CB GLN A 30 1.462 12.924 12.204 1.00 0.00 C ATOM 449 CG GLN A 30 1.645 13.993 11.143 1.00 0.00 C ATOM 450 CD GLN A 30 0.326 14.669 10.796 1.00 0.00 C ATOM 451 OE1 GLN A 30 -0.565 14.801 11.638 1.00 0.00 O ATOM 452 NE2 GLN A 30 0.172 15.054 9.566 1.00 0.00 N ATOM 0 H GLN A 30 0.780 11.073 13.706 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.368 12.239 11.361 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.058 13.383 13.106 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.436 12.511 12.466 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.355 14.740 11.497 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.073 13.546 10.245 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.929 14.930 8.894 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.706 15.480 9.271 1.00 0.00 H new ATOM 461 N GLU A 31 2.044 9.988 11.108 1.00 0.00 N ATOM 462 CA GLU A 31 2.666 9.117 10.135 1.00 0.00 C ATOM 463 C GLU A 31 1.651 8.132 9.589 1.00 0.00 C ATOM 464 O GLU A 31 1.806 7.650 8.489 1.00 0.00 O ATOM 465 CB GLU A 31 3.892 8.372 10.637 1.00 0.00 C ATOM 466 CG GLU A 31 3.607 7.322 11.668 1.00 0.00 C ATOM 467 CD GLU A 31 4.713 6.339 11.766 1.00 0.00 C ATOM 468 OE1 GLU A 31 5.642 6.549 12.543 1.00 0.00 O ATOM 469 OE2 GLU A 31 4.690 5.338 11.020 1.00 0.00 O ATOM 0 H GLU A 31 2.296 9.811 12.080 1.00 0.00 H new ATOM 0 HA GLU A 31 3.026 9.777 9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.389 7.903 9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.593 9.094 11.057 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.453 7.796 12.638 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.681 6.805 11.415 1.00 0.00 H new ATOM 476 N ALA A 32 0.620 7.822 10.375 1.00 0.00 N ATOM 477 CA ALA A 32 -0.462 6.957 9.916 1.00 0.00 C ATOM 478 C ALA A 32 -1.139 7.591 8.703 1.00 0.00 C ATOM 479 O ALA A 32 -1.549 6.909 7.774 1.00 0.00 O ATOM 480 CB ALA A 32 -1.472 6.717 11.030 1.00 0.00 C ATOM 0 H ALA A 32 0.513 8.158 11.332 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.047 5.991 9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.269 6.070 10.665 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.975 6.240 11.875 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.895 7.670 11.349 1.00 0.00 H new ATOM 486 N LYS A 33 -1.199 8.905 8.710 1.00 0.00 N ATOM 487 CA LYS A 33 -1.740 9.678 7.605 1.00 0.00 C ATOM 488 C LYS A 33 -0.724 9.688 6.428 1.00 0.00 C ATOM 489 O LYS A 33 -1.080 9.899 5.276 1.00 0.00 O ATOM 490 CB LYS A 33 -2.036 11.104 8.090 1.00 0.00 C ATOM 491 CG LYS A 33 -2.587 12.021 7.030 1.00 0.00 C ATOM 492 CD LYS A 33 -3.999 11.635 6.615 1.00 0.00 C ATOM 493 CE LYS A 33 -4.444 12.380 5.362 1.00 0.00 C ATOM 494 NZ LYS A 33 -4.381 13.857 5.497 1.00 0.00 N ATOM 0 H LYS A 33 -0.871 9.476 9.489 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.667 9.229 7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.747 11.054 8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.118 11.538 8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.587 13.046 7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.934 11.999 6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.044 10.561 6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.689 11.851 7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.818 12.073 4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.466 12.089 5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.938 14.299 4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.769 14.138 6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.392 14.170 5.428 1.00 0.00 H new ATOM 508 N HIS A 34 0.527 9.445 6.721 1.00 0.00 N ATOM 509 CA HIS A 34 1.525 9.323 5.668 1.00 0.00 C ATOM 510 C HIS A 34 1.453 7.901 5.086 1.00 0.00 C ATOM 511 O HIS A 34 1.574 7.705 3.884 1.00 0.00 O ATOM 512 CB HIS A 34 2.937 9.666 6.187 1.00 0.00 C ATOM 513 CG HIS A 34 4.004 9.649 5.126 1.00 0.00 C ATOM 514 ND1 HIS A 34 4.330 10.739 4.364 1.00 0.00 N ATOM 515 CD2 HIS A 34 4.812 8.658 4.708 1.00 0.00 C ATOM 516 CE1 HIS A 34 5.282 10.418 3.526 1.00 0.00 C ATOM 517 NE2 HIS A 34 5.592 9.159 3.717 1.00 0.00 N ATOM 0 H HIS A 34 0.886 9.327 7.669 1.00 0.00 H new ATOM 0 HA HIS A 34 1.313 10.042 4.876 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.913 10.654 6.647 1.00 0.00 H new ATOM 0 HB3 HIS A 34 3.207 8.957 6.969 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.836 7.648 5.091 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.735 11.078 2.801 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.304 8.640 3.204 1.00 0.00 H new ATOM 526 N ARG A 35 1.227 6.921 5.967 1.00 0.00 N ATOM 527 CA ARG A 35 0.997 5.517 5.574 1.00 0.00 C ATOM 528 C ARG A 35 -0.282 5.415 4.747 1.00 0.00 C ATOM 529 O ARG A 35 -0.420 4.532 3.911 1.00 0.00 O ATOM 530 CB ARG A 35 0.850 4.604 6.807 1.00 0.00 C ATOM 531 CG ARG A 35 2.123 3.969 7.410 1.00 0.00 C ATOM 532 CD ARG A 35 3.200 4.950 7.836 1.00 0.00 C ATOM 533 NE ARG A 35 4.201 5.218 6.784 1.00 0.00 N ATOM 534 CZ ARG A 35 5.387 5.808 7.026 1.00 0.00 C ATOM 535 NH1 ARG A 35 5.707 6.157 8.281 1.00 0.00 N ATOM 536 NH2 ARG A 35 6.273 5.996 6.038 1.00 0.00 N ATOM 0 H ARG A 35 1.197 7.074 6.975 1.00 0.00 H new ATOM 0 HA ARG A 35 1.860 5.193 4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.365 5.183 7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.170 3.795 6.541 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.836 3.372 8.276 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.549 3.284 6.677 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.730 5.889 8.127 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.707 4.560 8.718 1.00 0.00 H new ATOM 0 HE ARG A 35 3.983 4.942 5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.054 5.975 9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.603 6.604 8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.052 5.691 5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.168 6.444 6.234 1.00 0.00 H new ATOM 550 N GLU A 36 -1.187 6.348 5.003 1.00 0.00 N ATOM 551 CA GLU A 36 -2.472 6.474 4.336 1.00 0.00 C ATOM 552 C GLU A 36 -2.260 6.495 2.816 1.00 0.00 C ATOM 553 O GLU A 36 -2.840 5.687 2.088 1.00 0.00 O ATOM 554 CB GLU A 36 -3.120 7.773 4.897 1.00 0.00 C ATOM 555 CG GLU A 36 -4.479 8.227 4.394 1.00 0.00 C ATOM 556 CD GLU A 36 -4.466 8.762 2.975 1.00 0.00 C ATOM 557 OE1 GLU A 36 -3.868 9.829 2.745 1.00 0.00 O ATOM 558 OE2 GLU A 36 -5.041 8.134 2.077 1.00 0.00 O ATOM 0 H GLU A 36 -1.039 7.067 5.711 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.140 5.634 4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.198 7.654 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.419 8.588 4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.173 7.389 4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.861 9.001 5.059 1.00 0.00 H new ATOM 565 N ALA A 37 -1.425 7.393 2.360 1.00 0.00 N ATOM 566 CA ALA A 37 -1.087 7.468 0.965 1.00 0.00 C ATOM 567 C ALA A 37 -0.018 6.431 0.584 1.00 0.00 C ATOM 568 O ALA A 37 -0.252 5.547 -0.263 1.00 0.00 O ATOM 569 CB ALA A 37 -0.620 8.873 0.607 1.00 0.00 C ATOM 0 H ALA A 37 -0.963 8.090 2.944 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.986 7.239 0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.368 8.914 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.417 9.586 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.259 9.126 1.199 1.00 0.00 H new ATOM 575 N GLU A 38 1.125 6.511 1.276 1.00 0.00 N ATOM 576 CA GLU A 38 2.336 5.759 0.936 1.00 0.00 C ATOM 577 C GLU A 38 2.137 4.240 0.963 1.00 0.00 C ATOM 578 O GLU A 38 2.472 3.559 -0.008 1.00 0.00 O ATOM 579 CB GLU A 38 3.502 6.197 1.841 1.00 0.00 C ATOM 580 CG GLU A 38 4.882 5.702 1.418 1.00 0.00 C ATOM 581 CD GLU A 38 5.972 6.178 2.358 1.00 0.00 C ATOM 582 OE1 GLU A 38 6.255 5.490 3.353 1.00 0.00 O ATOM 583 OE2 GLU A 38 6.554 7.260 2.146 1.00 0.00 O ATOM 0 H GLU A 38 1.235 7.107 2.097 1.00 0.00 H new ATOM 0 HA GLU A 38 2.582 5.998 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.521 7.286 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.304 5.847 2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.882 4.612 1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.098 6.050 0.408 1.00 0.00 H new ATOM 590 N MET A 39 1.554 3.712 2.033 1.00 0.00 N ATOM 591 CA MET A 39 1.373 2.253 2.129 1.00 0.00 C ATOM 592 C MET A 39 0.351 1.758 1.173 1.00 0.00 C ATOM 593 O MET A 39 0.585 0.767 0.501 1.00 0.00 O ATOM 594 CB MET A 39 1.021 1.723 3.529 1.00 0.00 C ATOM 595 CG MET A 39 2.168 1.657 4.507 1.00 0.00 C ATOM 596 SD MET A 39 1.735 0.794 6.042 1.00 0.00 S ATOM 597 CE MET A 39 1.350 -0.851 5.415 1.00 0.00 C ATOM 0 H MET A 39 1.205 4.246 2.829 1.00 0.00 H new ATOM 0 HA MET A 39 2.360 1.865 1.879 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.242 2.356 3.953 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.598 0.724 3.424 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.011 1.151 4.037 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.495 2.669 4.745 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.791 -1.602 6.070 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.269 -0.985 5.385 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.758 -0.962 4.410 1.00 0.00 H new ATOM 607 N ARG A 40 -0.785 2.453 1.091 1.00 0.00 N ATOM 608 CA ARG A 40 -1.868 1.999 0.230 1.00 0.00 C ATOM 609 C ARG A 40 -1.441 1.886 -1.198 1.00 0.00 C ATOM 610 O ARG A 40 -1.551 0.821 -1.779 1.00 0.00 O ATOM 611 CB ARG A 40 -3.141 2.837 0.335 1.00 0.00 C ATOM 612 CG ARG A 40 -3.870 2.697 1.653 1.00 0.00 C ATOM 613 CD ARG A 40 -5.294 3.228 1.554 1.00 0.00 C ATOM 614 NE ARG A 40 -5.367 4.659 1.261 1.00 0.00 N ATOM 615 CZ ARG A 40 -6.371 5.251 0.589 1.00 0.00 C ATOM 616 NH1 ARG A 40 -7.267 4.522 -0.083 1.00 0.00 N ATOM 617 NH2 ARG A 40 -6.457 6.561 0.566 1.00 0.00 N ATOM 0 H ARG A 40 -0.974 3.316 1.601 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.116 1.006 0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.885 3.886 0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.816 2.554 -0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.890 1.649 1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.330 3.239 2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.824 2.679 0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.812 3.031 2.492 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.603 5.250 1.589 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.194 3.505 -0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.024 4.983 -0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.764 7.126 1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.217 7.013 0.058 1.00 0.00 H new ATOM 631 N ASN A 41 -0.885 2.948 -1.733 1.00 0.00 N ATOM 632 CA ASN A 41 -0.483 2.966 -3.136 1.00 0.00 C ATOM 633 C ASN A 41 0.539 1.868 -3.407 1.00 0.00 C ATOM 634 O ASN A 41 0.401 1.114 -4.372 1.00 0.00 O ATOM 635 CB ASN A 41 0.059 4.353 -3.522 1.00 0.00 C ATOM 636 CG ASN A 41 0.328 4.569 -5.024 1.00 0.00 C ATOM 637 OD1 ASN A 41 0.630 3.650 -5.774 1.00 0.00 O ATOM 638 ND2 ASN A 41 0.223 5.806 -5.458 1.00 0.00 N ATOM 0 H ASN A 41 -0.698 3.813 -1.226 1.00 0.00 H new ATOM 0 HA ASN A 41 -1.356 2.769 -3.758 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.653 5.107 -3.187 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.987 4.525 -2.977 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.395 6.018 -6.441 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.030 6.553 -4.812 1.00 0.00 H new ATOM 645 N SER A 42 1.496 1.729 -2.509 1.00 0.00 N ATOM 646 CA SER A 42 2.534 0.745 -2.649 1.00 0.00 C ATOM 647 C SER A 42 1.995 -0.705 -2.553 1.00 0.00 C ATOM 648 O SER A 42 2.254 -1.519 -3.440 1.00 0.00 O ATOM 649 CB SER A 42 3.609 0.998 -1.600 1.00 0.00 C ATOM 650 OG SER A 42 4.114 2.335 -1.704 1.00 0.00 O ATOM 0 H SER A 42 1.569 2.298 -1.666 1.00 0.00 H new ATOM 0 HA SER A 42 2.962 0.845 -3.646 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.197 0.836 -0.604 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.424 0.285 -1.728 1.00 0.00 H new ATOM 0 HG SER A 42 3.487 2.956 -1.278 1.00 0.00 H new ATOM 656 N ILE A 43 1.208 -1.015 -1.519 1.00 0.00 N ATOM 657 CA ILE A 43 0.756 -2.394 -1.334 1.00 0.00 C ATOM 658 C ILE A 43 -0.330 -2.784 -2.324 1.00 0.00 C ATOM 659 O ILE A 43 -0.314 -3.883 -2.856 1.00 0.00 O ATOM 660 CB ILE A 43 0.323 -2.753 0.131 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.949 -1.990 0.581 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.480 -2.504 1.096 1.00 0.00 C ATOM 663 CD1 ILE A 43 -1.431 -2.353 1.969 1.00 0.00 C ATOM 0 H ILE A 43 0.879 -0.352 -0.817 1.00 0.00 H new ATOM 0 HA ILE A 43 1.645 -2.991 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 43 0.068 -3.813 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.748 -0.919 0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.749 -2.187 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.169 -2.756 2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.330 -3.124 0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.768 -1.453 1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.324 -1.775 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.666 -3.417 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.650 -2.129 2.696 1.00 0.00 H new ATOM 675 N LEU A 44 -1.234 -1.869 -2.620 1.00 0.00 N ATOM 676 CA LEU A 44 -2.337 -2.160 -3.516 1.00 0.00 C ATOM 677 C LEU A 44 -1.836 -2.398 -4.923 1.00 0.00 C ATOM 678 O LEU A 44 -2.311 -3.295 -5.598 1.00 0.00 O ATOM 679 CB LEU A 44 -3.367 -1.045 -3.489 1.00 0.00 C ATOM 680 CG LEU A 44 -4.045 -0.793 -2.137 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.910 0.442 -2.201 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.871 -1.992 -1.716 1.00 0.00 C ATOM 0 H LEU A 44 -1.226 -0.917 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.822 -3.073 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.883 -0.122 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.139 -1.272 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.266 -0.635 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.383 0.605 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.294 1.305 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.678 0.309 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.342 -1.790 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.640 -2.184 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.225 -2.866 -1.627 1.00 0.00 H new ATOM 694 N ALA A 45 -0.864 -1.605 -5.352 1.00 0.00 N ATOM 695 CA ALA A 45 -0.247 -1.788 -6.670 1.00 0.00 C ATOM 696 C ALA A 45 0.540 -3.114 -6.766 1.00 0.00 C ATOM 697 O ALA A 45 0.850 -3.583 -7.855 1.00 0.00 O ATOM 698 CB ALA A 45 0.650 -0.613 -7.007 1.00 0.00 C ATOM 0 H ALA A 45 -0.482 -0.828 -4.812 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.055 -1.837 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.099 -0.767 -7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.060 0.304 -7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.437 -0.529 -6.258 1.00 0.00 H new ATOM 704 N GLN A 46 0.886 -3.695 -5.629 1.00 0.00 N ATOM 705 CA GLN A 46 1.609 -4.964 -5.606 1.00 0.00 C ATOM 706 C GLN A 46 0.653 -6.147 -5.501 1.00 0.00 C ATOM 707 O GLN A 46 0.792 -7.128 -6.223 1.00 0.00 O ATOM 708 CB GLN A 46 2.614 -5.005 -4.454 1.00 0.00 C ATOM 709 CG GLN A 46 3.772 -4.028 -4.586 1.00 0.00 C ATOM 710 CD GLN A 46 4.638 -4.300 -5.795 1.00 0.00 C ATOM 711 OE1 GLN A 46 5.596 -5.073 -5.725 1.00 0.00 O ATOM 712 NE2 GLN A 46 4.325 -3.681 -6.906 1.00 0.00 N ATOM 0 H GLN A 46 0.679 -3.311 -4.707 1.00 0.00 H new ATOM 0 HA GLN A 46 2.152 -5.041 -6.548 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.087 -4.799 -3.522 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.016 -6.015 -4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.379 -3.013 -4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.386 -4.077 -3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.526 -3.048 -6.929 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.881 -3.832 -7.748 1.00 0.00 H new ATOM 721 N VAL A 47 -0.303 -6.044 -4.597 1.00 0.00 N ATOM 722 CA VAL A 47 -1.278 -7.109 -4.365 1.00 0.00 C ATOM 723 C VAL A 47 -2.254 -7.195 -5.514 1.00 0.00 C ATOM 724 O VAL A 47 -2.579 -8.283 -5.992 1.00 0.00 O ATOM 725 CB VAL A 47 -2.050 -6.903 -3.029 1.00 0.00 C ATOM 726 CG1 VAL A 47 -3.027 -8.030 -2.785 1.00 0.00 C ATOM 727 CG2 VAL A 47 -1.092 -6.770 -1.857 1.00 0.00 C ATOM 0 H VAL A 47 -0.431 -5.226 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.724 -8.045 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.614 -5.974 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.552 -7.859 -1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.748 -8.069 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.487 -8.975 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.660 -6.627 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.490 -7.675 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.438 -5.912 -2.017 1.00 0.00 H new ATOM 737 N LEU A 48 -2.704 -6.077 -5.972 1.00 0.00 N ATOM 738 CA LEU A 48 -3.619 -6.070 -7.051 1.00 0.00 C ATOM 739 C LEU A 48 -2.864 -5.945 -8.332 1.00 0.00 C ATOM 740 O LEU A 48 -1.938 -5.125 -8.450 1.00 0.00 O ATOM 741 CB LEU A 48 -4.642 -4.934 -6.931 1.00 0.00 C ATOM 742 CG LEU A 48 -5.542 -4.945 -5.686 1.00 0.00 C ATOM 743 CD1 LEU A 48 -6.508 -3.774 -5.701 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.295 -6.257 -5.573 1.00 0.00 C ATOM 0 H LEU A 48 -2.450 -5.157 -5.613 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.174 -7.008 -7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.103 -3.987 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.281 -4.957 -7.813 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.900 -4.844 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.133 -3.806 -4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.947 -2.840 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.139 -3.834 -6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.925 -6.240 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.918 -6.396 -6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.584 -7.079 -5.498 1.00 0.00 H new ATOM 756 N ASP A 49 -3.203 -6.796 -9.255 1.00 0.00 N ATOM 757 CA ASP A 49 -2.690 -6.730 -10.600 1.00 0.00 C ATOM 758 C ASP A 49 -3.052 -5.383 -11.197 1.00 0.00 C ATOM 759 O ASP A 49 -4.063 -4.767 -10.809 1.00 0.00 O ATOM 760 CB ASP A 49 -3.274 -7.868 -11.463 1.00 0.00 C ATOM 761 CG ASP A 49 -2.897 -7.754 -12.930 1.00 0.00 C ATOM 762 OD1 ASP A 49 -1.773 -8.082 -13.300 1.00 0.00 O ATOM 763 OD2 ASP A 49 -3.732 -7.288 -13.732 1.00 0.00 O ATOM 0 H ASP A 49 -3.852 -7.567 -9.097 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.606 -6.846 -10.578 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.924 -8.825 -11.077 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.360 -7.865 -11.371 1.00 0.00 H new ATOM 768 N GLN A 50 -2.253 -4.941 -12.117 1.00 0.00 N ATOM 769 CA GLN A 50 -2.412 -3.650 -12.772 1.00 0.00 C ATOM 770 C GLN A 50 -3.820 -3.476 -13.379 1.00 0.00 C ATOM 771 O GLN A 50 -4.371 -2.360 -13.389 1.00 0.00 O ATOM 772 CB GLN A 50 -1.346 -3.497 -13.844 1.00 0.00 C ATOM 773 CG GLN A 50 -1.314 -2.136 -14.507 1.00 0.00 C ATOM 774 CD GLN A 50 -0.260 -2.036 -15.584 1.00 0.00 C ATOM 775 OE1 GLN A 50 0.018 -3.127 -16.241 1.00 0.00 O flip ATOM 776 NE2 GLN A 50 0.301 -0.962 -15.827 1.00 0.00 N flip ATOM 0 H GLN A 50 -1.448 -5.470 -12.452 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.294 -2.870 -12.020 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.370 -3.694 -13.399 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.506 -4.256 -14.609 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.292 -1.925 -14.941 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.129 -1.373 -13.751 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.059 -0.128 -15.293 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.006 -0.910 -16.562 1.00 0.00 H new ATOM 785 N SER A 51 -4.423 -4.575 -13.815 1.00 0.00 N ATOM 786 CA SER A 51 -5.736 -4.520 -14.422 1.00 0.00 C ATOM 787 C SER A 51 -6.777 -4.311 -13.338 1.00 0.00 C ATOM 788 O SER A 51 -7.752 -3.602 -13.532 1.00 0.00 O ATOM 789 CB SER A 51 -6.032 -5.815 -15.156 1.00 0.00 C ATOM 790 OG SER A 51 -4.894 -6.252 -15.891 1.00 0.00 O ATOM 0 H SER A 51 -4.021 -5.510 -13.757 1.00 0.00 H new ATOM 0 HA SER A 51 -5.764 -3.695 -15.134 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.326 -6.584 -14.442 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.874 -5.670 -15.833 1.00 0.00 H new ATOM 0 HG SER A 51 -4.318 -6.793 -15.311 1.00 0.00 H new ATOM 796 N ALA A 52 -6.526 -4.898 -12.172 1.00 0.00 N ATOM 797 CA ALA A 52 -7.435 -4.798 -11.053 1.00 0.00 C ATOM 798 C ALA A 52 -7.417 -3.384 -10.518 1.00 0.00 C ATOM 799 O ALA A 52 -8.454 -2.841 -10.158 1.00 0.00 O ATOM 800 CB ALA A 52 -7.075 -5.800 -9.969 1.00 0.00 C ATOM 0 H ALA A 52 -5.690 -5.451 -11.984 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.444 -5.035 -11.390 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.774 -5.704 -9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.130 -6.810 -10.375 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.063 -5.605 -9.615 1.00 0.00 H new ATOM 806 N ARG A 53 -6.233 -2.774 -10.503 1.00 0.00 N ATOM 807 CA ARG A 53 -6.103 -1.379 -10.090 1.00 0.00 C ATOM 808 C ARG A 53 -6.854 -0.472 -11.063 1.00 0.00 C ATOM 809 O ARG A 53 -7.584 0.422 -10.652 1.00 0.00 O ATOM 810 CB ARG A 53 -4.631 -0.952 -9.984 1.00 0.00 C ATOM 811 CG ARG A 53 -3.837 -1.636 -8.868 1.00 0.00 C ATOM 812 CD ARG A 53 -4.395 -1.310 -7.478 1.00 0.00 C ATOM 813 NE ARG A 53 -4.390 0.129 -7.192 1.00 0.00 N ATOM 814 CZ ARG A 53 -5.140 0.769 -6.267 1.00 0.00 C ATOM 815 NH1 ARG A 53 -6.037 0.119 -5.531 1.00 0.00 N ATOM 816 NH2 ARG A 53 -4.990 2.066 -6.098 1.00 0.00 N ATOM 0 H ARG A 53 -5.356 -3.221 -10.770 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.543 -1.282 -9.098 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.140 -1.155 -10.936 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.591 0.126 -9.829 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.854 -2.715 -9.021 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.794 -1.323 -8.922 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.414 -1.688 -7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.805 -1.829 -6.723 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.757 0.705 -7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.171 -0.884 -5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.591 0.624 -4.839 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.313 2.579 -6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.551 2.558 -5.403 1.00 0.00 H new ATOM 830 N ALA A 54 -6.707 -0.752 -12.354 1.00 0.00 N ATOM 831 CA ALA A 54 -7.390 0.009 -13.400 1.00 0.00 C ATOM 832 C ALA A 54 -8.906 -0.168 -13.294 1.00 0.00 C ATOM 833 O ALA A 54 -9.667 0.793 -13.408 1.00 0.00 O ATOM 834 CB ALA A 54 -6.907 -0.432 -14.769 1.00 0.00 C ATOM 0 H ALA A 54 -6.117 -1.506 -12.705 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.156 1.065 -13.266 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.423 0.142 -15.539 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.833 -0.262 -14.848 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.118 -1.493 -14.905 1.00 0.00 H new ATOM 840 N ARG A 55 -9.321 -1.398 -13.046 1.00 0.00 N ATOM 841 CA ARG A 55 -10.722 -1.754 -12.895 1.00 0.00 C ATOM 842 C ARG A 55 -11.303 -0.982 -11.714 1.00 0.00 C ATOM 843 O ARG A 55 -12.354 -0.357 -11.808 1.00 0.00 O ATOM 844 CB ARG A 55 -10.821 -3.253 -12.609 1.00 0.00 C ATOM 845 CG ARG A 55 -12.197 -3.853 -12.786 1.00 0.00 C ATOM 846 CD ARG A 55 -12.558 -3.942 -14.258 1.00 0.00 C ATOM 847 NE ARG A 55 -13.853 -4.586 -14.471 1.00 0.00 N ATOM 848 CZ ARG A 55 -14.070 -5.635 -15.284 1.00 0.00 C ATOM 849 NH1 ARG A 55 -13.053 -6.259 -15.886 1.00 0.00 N ATOM 850 NH2 ARG A 55 -15.307 -6.083 -15.461 1.00 0.00 N ATOM 0 H ARG A 55 -8.686 -2.189 -12.942 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.272 -1.511 -13.804 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.126 -3.778 -13.264 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.492 -3.434 -11.586 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.226 -4.846 -12.339 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.934 -3.245 -12.262 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.578 -2.940 -14.687 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.785 -4.500 -14.787 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.654 -4.211 -13.964 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.096 -5.941 -15.732 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.234 -7.053 -16.500 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.086 -5.632 -14.982 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.478 -6.878 -16.076 1.00 0.00 H new ATOM 864 N LEU A 56 -10.565 -0.993 -10.628 1.00 0.00 N ATOM 865 CA LEU A 56 -10.961 -0.347 -9.396 1.00 0.00 C ATOM 866 C LEU A 56 -10.973 1.173 -9.541 1.00 0.00 C ATOM 867 O LEU A 56 -11.769 1.866 -8.896 1.00 0.00 O ATOM 868 CB LEU A 56 -10.021 -0.773 -8.280 1.00 0.00 C ATOM 869 CG LEU A 56 -10.349 -0.254 -6.897 1.00 0.00 C ATOM 870 CD1 LEU A 56 -11.763 -0.651 -6.513 1.00 0.00 C ATOM 871 CD2 LEU A 56 -9.352 -0.786 -5.892 1.00 0.00 C ATOM 0 H LEU A 56 -9.659 -1.458 -10.574 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.977 -0.656 -9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.005 -1.862 -8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.013 -0.448 -8.538 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.286 0.834 -6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.989 -0.273 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.467 -0.228 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.850 -1.738 -6.517 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.597 -0.406 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.390 -1.875 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.349 -0.460 -6.167 1.00 0.00 H new ATOM 883 N SER A 57 -10.118 1.674 -10.394 1.00 0.00 N ATOM 884 CA SER A 57 -10.039 3.083 -10.662 1.00 0.00 C ATOM 885 C SER A 57 -11.354 3.563 -11.310 1.00 0.00 C ATOM 886 O SER A 57 -11.780 4.693 -11.092 1.00 0.00 O ATOM 887 CB SER A 57 -8.812 3.376 -11.543 1.00 0.00 C ATOM 888 OG SER A 57 -8.605 4.769 -11.748 1.00 0.00 O ATOM 0 H SER A 57 -9.453 1.111 -10.925 1.00 0.00 H new ATOM 0 HA SER A 57 -9.912 3.636 -9.732 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.925 2.945 -11.079 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.937 2.885 -12.508 1.00 0.00 H new ATOM 0 HG SER A 57 -7.814 4.903 -12.311 1.00 0.00 H new ATOM 894 N ASN A 58 -12.020 2.671 -12.050 1.00 0.00 N ATOM 895 CA ASN A 58 -13.321 2.976 -12.653 1.00 0.00 C ATOM 896 C ASN A 58 -14.379 3.050 -11.551 1.00 0.00 C ATOM 897 O ASN A 58 -15.242 3.935 -11.550 1.00 0.00 O ATOM 898 CB ASN A 58 -13.716 1.899 -13.677 1.00 0.00 C ATOM 899 CG ASN A 58 -15.047 2.174 -14.388 1.00 0.00 C ATOM 900 OD1 ASN A 58 -15.793 1.246 -14.699 1.00 0.00 O ATOM 901 ND2 ASN A 58 -15.317 3.410 -14.726 1.00 0.00 N ATOM 0 H ASN A 58 -11.679 1.730 -12.246 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.253 3.933 -13.171 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.927 1.816 -14.424 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.778 0.936 -13.171 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.161 3.620 -15.259 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.683 4.162 -14.457 1.00 0.00 H new ATOM 908 N LEU A 59 -14.274 2.136 -10.585 1.00 0.00 N ATOM 909 CA LEU A 59 -15.174 2.088 -9.439 1.00 0.00 C ATOM 910 C LEU A 59 -15.093 3.365 -8.619 1.00 0.00 C ATOM 911 O LEU A 59 -16.089 3.811 -8.070 1.00 0.00 O ATOM 912 CB LEU A 59 -14.902 0.861 -8.541 1.00 0.00 C ATOM 913 CG LEU A 59 -15.556 -0.492 -8.930 1.00 0.00 C ATOM 914 CD1 LEU A 59 -17.074 -0.402 -8.876 1.00 0.00 C ATOM 915 CD2 LEU A 59 -15.102 -0.976 -10.298 1.00 0.00 C ATOM 0 H LEU A 59 -13.560 1.408 -10.578 1.00 0.00 H new ATOM 0 HA LEU A 59 -16.184 1.994 -9.838 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.823 0.710 -8.501 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -15.227 1.109 -7.531 1.00 0.00 H new ATOM 0 HG LEU A 59 -15.223 -1.225 -8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -17.506 -1.364 -9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -17.387 -0.141 -7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.418 0.364 -9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.586 -1.926 -10.527 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.374 -0.239 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -14.020 -1.111 -10.296 1.00 0.00 H new ATOM 927 N ALA A 60 -13.913 3.974 -8.591 1.00 0.00 N ATOM 928 CA ALA A 60 -13.687 5.222 -7.854 1.00 0.00 C ATOM 929 C ALA A 60 -14.490 6.387 -8.449 1.00 0.00 C ATOM 930 O ALA A 60 -14.746 7.405 -7.779 1.00 0.00 O ATOM 931 CB ALA A 60 -12.207 5.557 -7.834 1.00 0.00 C ATOM 0 H ALA A 60 -13.087 3.622 -9.075 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.034 5.072 -6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.051 6.485 -7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.658 4.751 -7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.847 5.676 -8.856 1.00 0.00 H new ATOM 937 N LEU A 61 -14.868 6.257 -9.701 1.00 0.00 N ATOM 938 CA LEU A 61 -15.671 7.270 -10.348 1.00 0.00 C ATOM 939 C LEU A 61 -17.146 7.067 -10.057 1.00 0.00 C ATOM 940 O LEU A 61 -17.890 8.034 -9.885 1.00 0.00 O ATOM 941 CB LEU A 61 -15.421 7.348 -11.865 1.00 0.00 C ATOM 942 CG LEU A 61 -14.184 8.140 -12.342 1.00 0.00 C ATOM 943 CD1 LEU A 61 -12.883 7.524 -11.863 1.00 0.00 C ATOM 944 CD2 LEU A 61 -14.188 8.275 -13.853 1.00 0.00 C ATOM 0 H LEU A 61 -14.632 5.459 -10.292 1.00 0.00 H new ATOM 0 HA LEU A 61 -15.361 8.226 -9.926 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -15.336 6.330 -12.245 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -16.303 7.789 -12.329 1.00 0.00 H new ATOM 0 HG LEU A 61 -14.249 9.133 -11.898 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.044 8.118 -12.225 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.870 7.504 -10.773 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -12.799 6.507 -12.246 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.309 8.836 -14.171 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.170 7.284 -14.307 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -15.088 8.802 -14.169 1.00 0.00 H new ATOM 956 N VAL A 62 -17.570 5.828 -9.964 1.00 0.00 N ATOM 957 CA VAL A 62 -18.977 5.556 -9.723 1.00 0.00 C ATOM 958 C VAL A 62 -19.326 5.555 -8.226 1.00 0.00 C ATOM 959 O VAL A 62 -20.237 6.267 -7.805 1.00 0.00 O ATOM 960 CB VAL A 62 -19.508 4.277 -10.455 1.00 0.00 C ATOM 961 CG1 VAL A 62 -19.431 4.463 -11.964 1.00 0.00 C ATOM 962 CG2 VAL A 62 -18.737 3.028 -10.057 1.00 0.00 C ATOM 0 H VAL A 62 -16.977 5.002 -10.049 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.511 6.392 -10.175 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.546 4.141 -10.151 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.803 3.567 -12.461 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -20.039 5.319 -12.257 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -18.396 4.637 -12.257 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -19.140 2.166 -10.589 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.685 3.153 -10.313 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.833 2.868 -8.983 1.00 0.00 H new ATOM 972 N LYS A 63 -18.592 4.800 -7.431 1.00 0.00 N ATOM 973 CA LYS A 63 -18.814 4.732 -5.993 1.00 0.00 C ATOM 974 C LYS A 63 -17.504 4.529 -5.271 1.00 0.00 C ATOM 975 O LYS A 63 -17.101 3.375 -5.018 1.00 0.00 O ATOM 976 CB LYS A 63 -19.783 3.603 -5.581 1.00 0.00 C ATOM 977 CG LYS A 63 -21.221 3.778 -6.048 1.00 0.00 C ATOM 978 CD LYS A 63 -22.101 2.611 -5.621 1.00 0.00 C ATOM 979 CE LYS A 63 -22.214 2.470 -4.095 1.00 0.00 C ATOM 980 NZ LYS A 63 -22.804 3.663 -3.444 1.00 0.00 N ATOM 0 H LYS A 63 -17.824 4.215 -7.761 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.269 5.682 -5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.403 2.660 -5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -19.779 3.521 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.625 4.705 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -21.242 3.870 -7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -23.098 2.741 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -21.697 1.688 -6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -22.823 1.597 -3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -21.223 2.289 -3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -23.501 3.362 -2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -22.053 4.213 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -23.273 4.253 -4.160 1.00 0.00 H new ATOM 994 N PRO A 64 -16.785 5.626 -4.950 1.00 0.00 N ATOM 995 CA PRO A 64 -15.524 5.552 -4.215 1.00 0.00 C ATOM 996 C PRO A 64 -15.695 4.902 -2.836 1.00 0.00 C ATOM 997 O PRO A 64 -14.718 4.448 -2.238 1.00 0.00 O ATOM 998 CB PRO A 64 -15.063 7.010 -4.084 1.00 0.00 C ATOM 999 CG PRO A 64 -16.257 7.837 -4.404 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.117 7.016 -5.319 1.00 0.00 C ATOM 0 HA PRO A 64 -14.796 4.929 -4.735 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.701 7.218 -3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.242 7.225 -4.769 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.800 8.101 -3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.964 8.771 -4.883 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.176 7.228 -5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.894 7.217 -6.367 1.00 0.00 H new ATOM 1008 N GLU A 65 -16.947 4.844 -2.348 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.268 4.169 -1.092 1.00 0.00 C ATOM 1010 C GLU A 65 -16.789 2.727 -1.151 1.00 0.00 C ATOM 1011 O GLU A 65 -16.169 2.223 -0.214 1.00 0.00 O ATOM 1012 CB GLU A 65 -18.789 4.126 -0.793 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.534 5.444 -0.841 1.00 0.00 C ATOM 1014 CD GLU A 65 -19.936 5.847 -2.234 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -19.138 6.490 -2.925 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -21.076 5.522 -2.654 1.00 0.00 O ATOM 0 H GLU A 65 -17.753 5.262 -2.813 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.772 4.741 -0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.256 3.446 -1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -18.928 3.694 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -20.426 5.373 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -18.907 6.225 -0.411 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.045 2.075 -2.278 1.00 0.00 N ATOM 1024 CA LYS A 66 -16.713 0.676 -2.397 1.00 0.00 C ATOM 1025 C LYS A 66 -15.230 0.523 -2.656 1.00 0.00 C ATOM 1026 O LYS A 66 -14.635 -0.479 -2.273 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.553 -0.052 -3.468 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.056 0.277 -3.449 1.00 0.00 C ATOM 1029 CD LYS A 66 -19.698 0.198 -2.051 1.00 0.00 C ATOM 1030 CE LYS A 66 -19.628 -1.180 -1.411 1.00 0.00 C ATOM 1031 NZ LYS A 66 -20.292 -1.190 -0.085 1.00 0.00 N ATOM 0 H LYS A 66 -17.474 2.490 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.962 0.196 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.154 0.196 -4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.430 -1.127 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.203 1.280 -3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.576 -0.411 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.205 0.916 -1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.743 0.499 -2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.103 -1.912 -2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.586 -1.480 -1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.990 -2.030 0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.029 -0.333 0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.324 -1.214 -0.214 1.00 0.00 H new ATOM 1045 N THR A 67 -14.643 1.529 -3.308 1.00 0.00 N ATOM 1046 CA THR A 67 -13.216 1.573 -3.547 1.00 0.00 C ATOM 1047 C THR A 67 -12.492 1.552 -2.200 1.00 0.00 C ATOM 1048 O THR A 67 -11.630 0.714 -1.968 1.00 0.00 O ATOM 1049 CB THR A 67 -12.854 2.866 -4.286 1.00 0.00 C ATOM 1050 OG1 THR A 67 -13.794 3.058 -5.354 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.453 2.785 -4.872 1.00 0.00 C ATOM 0 H THR A 67 -15.151 2.331 -3.681 1.00 0.00 H new ATOM 0 HA THR A 67 -12.920 0.716 -4.151 1.00 0.00 H new ATOM 0 HB THR A 67 -12.887 3.697 -3.581 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.317 3.079 -6.210 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.221 3.715 -5.391 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.732 2.627 -4.070 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.400 1.954 -5.576 1.00 0.00 H new ATOM 1059 N LYS A 68 -12.922 2.441 -1.301 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.379 2.544 0.052 1.00 0.00 C ATOM 1061 C LYS A 68 -12.437 1.199 0.750 1.00 0.00 C ATOM 1062 O LYS A 68 -11.459 0.749 1.319 1.00 0.00 O ATOM 1063 CB LYS A 68 -13.198 3.548 0.864 1.00 0.00 C ATOM 1064 CG LYS A 68 -13.070 4.996 0.426 1.00 0.00 C ATOM 1065 CD LYS A 68 -14.148 5.871 1.066 1.00 0.00 C ATOM 1066 CE LYS A 68 -14.125 5.838 2.591 1.00 0.00 C ATOM 1067 NZ LYS A 68 -15.210 6.661 3.170 1.00 0.00 N ATOM 0 H LYS A 68 -13.663 3.114 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.343 2.874 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.248 3.261 0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.899 3.474 1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.084 5.374 0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.147 5.057 -0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.018 6.900 0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.127 5.543 0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.225 4.809 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.162 6.201 2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.164 6.615 4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.099 7.648 2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.130 6.299 2.848 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.577 0.555 0.640 1.00 0.00 N ATOM 1082 CA ALA A 69 -13.840 -0.706 1.299 1.00 0.00 C ATOM 1083 C ALA A 69 -12.986 -1.856 0.754 1.00 0.00 C ATOM 1084 O ALA A 69 -12.420 -2.627 1.535 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.310 -1.029 1.204 1.00 0.00 C ATOM 0 H ALA A 69 -14.360 0.897 0.082 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.558 -0.595 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.507 -1.979 1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.888 -0.241 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.600 -1.101 0.156 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.883 -1.990 -0.568 1.00 0.00 N ATOM 1092 CA VAL A 70 -12.062 -3.067 -1.116 1.00 0.00 C ATOM 1093 C VAL A 70 -10.591 -2.827 -0.813 1.00 0.00 C ATOM 1094 O VAL A 70 -9.882 -3.748 -0.418 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.261 -3.342 -2.641 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.671 -3.779 -2.942 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -11.911 -2.144 -3.478 1.00 0.00 C ATOM 0 H VAL A 70 -13.339 -1.391 -1.256 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.410 -3.969 -0.612 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.579 -4.152 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.775 -3.962 -4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.893 -4.695 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.367 -2.997 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.064 -2.379 -4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.548 -1.305 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.867 -1.878 -3.313 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.154 -1.572 -0.929 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.783 -1.224 -0.642 1.00 0.00 C ATOM 1109 C GLU A 71 -8.493 -1.486 0.833 1.00 0.00 C ATOM 1110 O GLU A 71 -7.453 -2.035 1.175 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.476 0.234 -1.057 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.646 0.471 -2.558 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.224 1.850 -3.023 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -8.737 2.865 -2.502 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -7.345 1.941 -3.922 1.00 0.00 O ATOM 0 H GLU A 71 -10.738 -0.788 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.117 -1.852 -1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.135 0.909 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.455 0.482 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.066 -0.276 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.692 0.315 -2.822 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.467 -1.159 1.677 1.00 0.00 N ATOM 1123 CA ASN A 72 -9.429 -1.404 3.108 1.00 0.00 C ATOM 1124 C ASN A 72 -9.240 -2.888 3.389 1.00 0.00 C ATOM 1125 O ASN A 72 -8.424 -3.280 4.231 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.754 -0.929 3.731 1.00 0.00 C ATOM 1127 CG ASN A 72 -10.825 -1.062 5.238 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -11.903 -1.210 5.815 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -9.720 -0.936 5.883 1.00 0.00 N ATOM 0 H ASN A 72 -10.327 -0.704 1.372 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.592 -0.858 3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.912 0.116 3.464 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.572 -1.498 3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.719 -0.957 6.903 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.844 -0.815 5.375 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.972 -3.705 2.670 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.907 -5.127 2.847 1.00 0.00 C ATOM 1138 C TYR A 73 -8.545 -5.677 2.421 1.00 0.00 C ATOM 1139 O TYR A 73 -7.957 -6.505 3.126 1.00 0.00 O ATOM 1140 CB TYR A 73 -11.038 -5.826 2.101 1.00 0.00 C ATOM 1141 CG TYR A 73 -11.097 -7.293 2.400 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -11.487 -7.728 3.652 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -10.762 -8.242 1.449 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -11.542 -9.060 3.959 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -10.813 -9.585 1.748 1.00 0.00 C ATOM 1146 CZ TYR A 73 -11.205 -9.986 3.013 1.00 0.00 C ATOM 1147 OH TYR A 73 -11.282 -11.316 3.323 1.00 0.00 O ATOM 0 H TYR A 73 -10.626 -3.399 1.949 1.00 0.00 H new ATOM 0 HA TYR A 73 -10.030 -5.334 3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.988 -5.364 2.371 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.907 -5.681 1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -11.754 -7.001 4.405 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.458 -7.925 0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.850 -9.378 4.944 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.549 -10.319 1.001 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.378 -11.687 3.399 1.00 0.00 H new ATOM 1157 N LEU A 74 -8.037 -5.206 1.293 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.730 -5.644 0.812 1.00 0.00 C ATOM 1159 C LEU A 74 -5.601 -5.245 1.751 1.00 0.00 C ATOM 1160 O LEU A 74 -4.673 -6.016 1.937 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.430 -5.247 -0.646 1.00 0.00 C ATOM 1162 CG LEU A 74 -7.026 -6.141 -1.771 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.560 -7.581 -1.642 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.537 -6.087 -1.818 1.00 0.00 C ATOM 0 H LEU A 74 -8.504 -4.525 0.695 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.785 -6.733 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.790 -4.230 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.348 -5.224 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.653 -5.733 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.995 -8.177 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.473 -7.619 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.877 -7.981 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.899 -6.729 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.943 -6.431 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.859 -5.062 -2.000 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.695 -4.047 2.352 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.712 -3.594 3.365 1.00 0.00 C ATOM 1178 C ILE A 75 -4.623 -4.641 4.484 1.00 0.00 C ATOM 1179 O ILE A 75 -3.530 -5.043 4.907 1.00 0.00 O ATOM 1180 CB ILE A 75 -5.139 -2.234 4.008 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -5.212 -1.128 2.958 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -4.179 -1.827 5.134 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.766 0.174 3.488 1.00 0.00 C ATOM 0 H ILE A 75 -6.436 -3.374 2.159 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.752 -3.465 2.865 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.132 -2.374 4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.214 -0.952 2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.833 -1.466 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.502 -0.878 5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.181 -2.594 5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.171 -1.720 4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.788 0.913 2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.777 0.014 3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.133 0.536 4.298 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.790 -5.100 4.917 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.897 -6.088 5.969 1.00 0.00 C ATOM 1197 C GLN A 76 -5.353 -7.435 5.511 1.00 0.00 C ATOM 1198 O GLN A 76 -4.503 -8.013 6.171 1.00 0.00 O ATOM 1199 CB GLN A 76 -7.346 -6.220 6.431 1.00 0.00 C ATOM 1200 CG GLN A 76 -7.908 -4.940 7.025 1.00 0.00 C ATOM 1201 CD GLN A 76 -9.348 -5.077 7.453 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -9.629 -5.449 8.590 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -10.264 -4.743 6.575 1.00 0.00 N ATOM 0 H GLN A 76 -6.688 -4.793 4.544 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.294 -5.753 6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.964 -6.521 5.585 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.412 -7.016 7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.305 -4.648 7.885 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.827 -4.138 6.291 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.989 -4.439 5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.252 -4.787 6.826 1.00 0.00 H new ATOM 1212 N MET A 77 -5.814 -7.905 4.355 1.00 0.00 N ATOM 1213 CA MET A 77 -5.369 -9.197 3.803 1.00 0.00 C ATOM 1214 C MET A 77 -3.853 -9.229 3.567 1.00 0.00 C ATOM 1215 O MET A 77 -3.193 -10.265 3.782 1.00 0.00 O ATOM 1216 CB MET A 77 -6.131 -9.563 2.516 1.00 0.00 C ATOM 1217 CG MET A 77 -7.585 -9.994 2.678 1.00 0.00 C ATOM 1218 SD MET A 77 -7.846 -11.685 3.310 1.00 0.00 S ATOM 1219 CE MET A 77 -7.474 -11.549 5.058 1.00 0.00 C ATOM 0 H MET A 77 -6.496 -7.415 3.776 1.00 0.00 H new ATOM 0 HA MET A 77 -5.602 -9.952 4.554 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.104 -8.702 1.848 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.591 -10.369 2.019 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.079 -9.294 3.352 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.080 -9.908 1.711 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.054 -12.287 5.612 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.411 -11.728 5.219 1.00 0.00 H new ATOM 0 HE3 MET A 77 -7.731 -10.549 5.408 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.300 -8.097 3.155 1.00 0.00 N ATOM 1230 CA ALA A 78 -1.865 -7.974 2.949 1.00 0.00 C ATOM 1231 C ALA A 78 -1.131 -8.009 4.283 1.00 0.00 C ATOM 1232 O ALA A 78 -0.041 -8.574 4.386 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.532 -6.693 2.196 1.00 0.00 C ATOM 0 H ALA A 78 -3.827 -7.247 2.956 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.536 -8.820 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.453 -6.624 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.026 -6.703 1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.878 -5.833 2.770 1.00 0.00 H new ATOM 1239 N ARG A 79 -1.759 -7.449 5.313 1.00 0.00 N ATOM 1240 CA ARG A 79 -1.176 -7.381 6.655 1.00 0.00 C ATOM 1241 C ARG A 79 -0.978 -8.784 7.235 1.00 0.00 C ATOM 1242 O ARG A 79 -0.034 -9.033 7.976 1.00 0.00 O ATOM 1243 CB ARG A 79 -2.058 -6.541 7.595 1.00 0.00 C ATOM 1244 CG ARG A 79 -1.441 -6.270 8.963 1.00 0.00 C ATOM 1245 CD ARG A 79 -0.164 -5.445 8.846 1.00 0.00 C ATOM 1246 NE ARG A 79 0.449 -5.197 10.153 1.00 0.00 N ATOM 1247 CZ ARG A 79 1.191 -4.123 10.472 1.00 0.00 C ATOM 1248 NH1 ARG A 79 1.408 -3.153 9.581 1.00 0.00 N ATOM 1249 NH2 ARG A 79 1.712 -4.030 11.684 1.00 0.00 N ATOM 0 H ARG A 79 -2.686 -7.029 5.244 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.202 -6.899 6.570 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.276 -5.588 7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.010 -7.053 7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.160 -5.743 9.590 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.220 -7.216 9.458 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.547 -5.966 8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.390 -4.493 8.365 1.00 0.00 H new ATOM 0 HE ARG A 79 0.301 -5.897 10.880 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.009 -3.222 8.645 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.973 -2.343 9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.549 -4.770 12.367 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.277 -3.219 11.936 1.00 0.00 H new ATOM 1263 N TYR A 80 -1.861 -9.700 6.870 1.00 0.00 N ATOM 1264 CA TYR A 80 -1.762 -11.079 7.337 1.00 0.00 C ATOM 1265 C TYR A 80 -0.733 -11.866 6.534 1.00 0.00 C ATOM 1266 O TYR A 80 -0.423 -13.000 6.872 1.00 0.00 O ATOM 1267 CB TYR A 80 -3.110 -11.800 7.274 1.00 0.00 C ATOM 1268 CG TYR A 80 -4.178 -11.256 8.186 1.00 0.00 C ATOM 1269 CD1 TYR A 80 -4.173 -11.540 9.540 1.00 0.00 C ATOM 1270 CD2 TYR A 80 -5.198 -10.466 7.691 1.00 0.00 C ATOM 1271 CE1 TYR A 80 -5.156 -11.049 10.371 1.00 0.00 C ATOM 1272 CE2 TYR A 80 -6.183 -9.973 8.510 1.00 0.00 C ATOM 1273 CZ TYR A 80 -6.158 -10.264 9.846 1.00 0.00 C ATOM 1274 OH TYR A 80 -7.147 -9.776 10.665 1.00 0.00 O ATOM 0 H TYR A 80 -2.653 -9.517 6.254 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.441 -11.029 8.378 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.477 -11.759 6.248 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.952 -12.851 7.514 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.387 -12.156 9.952 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.221 -10.231 6.637 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.141 -11.278 11.426 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.973 -9.359 8.102 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.775 -9.240 10.136 1.00 0.00 H new ATOM 1284 N GLY A 81 -0.214 -11.259 5.469 1.00 0.00 N ATOM 1285 CA GLY A 81 0.765 -11.916 4.626 1.00 0.00 C ATOM 1286 C GLY A 81 0.165 -13.078 3.870 1.00 0.00 C ATOM 1287 O GLY A 81 0.781 -14.128 3.735 1.00 0.00 O ATOM 0 H GLY A 81 -0.459 -10.314 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.177 -11.196 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.593 -12.270 5.239 1.00 0.00 H new ATOM 1291 N GLN A 82 -1.046 -12.899 3.391 1.00 0.00 N ATOM 1292 CA GLN A 82 -1.739 -13.962 2.678 1.00 0.00 C ATOM 1293 C GLN A 82 -1.607 -13.803 1.176 1.00 0.00 C ATOM 1294 O GLN A 82 -2.041 -14.662 0.415 1.00 0.00 O ATOM 1295 CB GLN A 82 -3.212 -13.982 3.057 1.00 0.00 C ATOM 1296 CG GLN A 82 -3.468 -14.249 4.527 1.00 0.00 C ATOM 1297 CD GLN A 82 -4.940 -14.256 4.883 1.00 0.00 C ATOM 1298 OE1 GLN A 82 -5.317 -13.911 5.995 1.00 0.00 O ATOM 1299 NE2 GLN A 82 -5.779 -14.651 3.958 1.00 0.00 N ATOM 0 H GLN A 82 -1.575 -12.031 3.479 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.274 -14.905 2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.658 -13.024 2.789 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.718 -14.746 2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.031 -15.210 4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.960 -13.490 5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.432 -14.932 3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.780 -14.677 4.155 1.00 0.00 H new ATOM 1308 N LEU A 83 -1.010 -12.707 0.758 1.00 0.00 N ATOM 1309 CA LEU A 83 -0.890 -12.407 -0.650 1.00 0.00 C ATOM 1310 C LEU A 83 0.545 -12.307 -1.083 1.00 0.00 C ATOM 1311 O LEU A 83 1.398 -11.745 -0.385 1.00 0.00 O ATOM 1312 CB LEU A 83 -1.644 -11.119 -1.057 1.00 0.00 C ATOM 1313 CG LEU A 83 -3.188 -11.154 -1.112 1.00 0.00 C ATOM 1314 CD1 LEU A 83 -3.695 -12.273 -2.001 1.00 0.00 C ATOM 1315 CD2 LEU A 83 -3.806 -11.213 0.265 1.00 0.00 C ATOM 0 H LEU A 83 -0.599 -12.008 1.377 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.357 -13.247 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.355 -10.332 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.284 -10.821 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.507 -10.214 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.785 -12.263 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.320 -12.131 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.345 -13.231 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.892 -11.236 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.465 -12.112 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.507 -10.334 0.836 1.00 0.00 H new ATOM 1327 N SER A 84 0.809 -12.879 -2.200 1.00 0.00 N ATOM 1328 CA SER A 84 2.084 -12.814 -2.854 1.00 0.00 C ATOM 1329 C SER A 84 1.833 -12.783 -4.350 1.00 0.00 C ATOM 1330 O SER A 84 2.474 -12.022 -5.094 1.00 0.00 O ATOM 1331 CB SER A 84 2.966 -13.993 -2.442 1.00 0.00 C ATOM 1332 OG SER A 84 3.153 -13.987 -1.023 1.00 0.00 O ATOM 0 H SER A 84 0.121 -13.430 -2.713 1.00 0.00 H new ATOM 0 HA SER A 84 2.624 -11.914 -2.559 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.504 -14.930 -2.753 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.931 -13.930 -2.945 1.00 0.00 H new ATOM 0 HG SER A 84 3.717 -14.745 -0.764 1.00 0.00 H new ATOM 1338 N GLU A 85 0.862 -13.579 -4.785 1.00 0.00 N ATOM 1339 CA GLU A 85 0.432 -13.545 -6.145 1.00 0.00 C ATOM 1340 C GLU A 85 -0.530 -12.398 -6.305 1.00 0.00 C ATOM 1341 O GLU A 85 -1.066 -11.882 -5.314 1.00 0.00 O ATOM 1342 CB GLU A 85 -0.205 -14.865 -6.563 1.00 0.00 C ATOM 1343 CG GLU A 85 0.743 -16.046 -6.451 1.00 0.00 C ATOM 1344 CD GLU A 85 1.995 -15.859 -7.280 1.00 0.00 C ATOM 1345 OE1 GLU A 85 2.984 -15.290 -6.771 1.00 0.00 O ATOM 1346 OE2 GLU A 85 2.017 -16.283 -8.466 1.00 0.00 O ATOM 0 H GLU A 85 0.367 -14.252 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 85 1.293 -13.399 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.082 -15.051 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.554 -14.783 -7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.020 -16.189 -5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.230 -16.953 -6.772 1.00 0.00 H new ATOM 1353 N LYS A 86 -0.740 -11.994 -7.510 1.00 0.00 N ATOM 1354 CA LYS A 86 -1.509 -10.832 -7.781 1.00 0.00 C ATOM 1355 C LYS A 86 -2.966 -11.151 -7.947 1.00 0.00 C ATOM 1356 O LYS A 86 -3.344 -12.144 -8.580 1.00 0.00 O ATOM 1357 CB LYS A 86 -0.929 -10.071 -8.987 1.00 0.00 C ATOM 1358 CG LYS A 86 0.367 -9.292 -8.676 1.00 0.00 C ATOM 1359 CD LYS A 86 1.494 -10.183 -8.149 1.00 0.00 C ATOM 1360 CE LYS A 86 2.651 -9.380 -7.605 1.00 0.00 C ATOM 1361 NZ LYS A 86 3.671 -10.241 -6.970 1.00 0.00 N ATOM 0 H LYS A 86 -0.380 -12.465 -8.340 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.445 -10.172 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.730 -10.781 -9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.680 -9.373 -9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.705 -8.786 -9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.150 -8.518 -7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.105 -10.832 -7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.849 -10.830 -8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.109 -8.811 -8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.281 -8.658 -6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.369 -9.647 -6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.212 -10.876 -6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.151 -10.807 -7.699 1.00 0.00 H new ATOM 1375 N VAL A 87 -3.777 -10.344 -7.339 1.00 0.00 N ATOM 1376 CA VAL A 87 -5.194 -10.485 -7.414 1.00 0.00 C ATOM 1377 C VAL A 87 -5.673 -9.798 -8.672 1.00 0.00 C ATOM 1378 O VAL A 87 -5.452 -8.592 -8.865 1.00 0.00 O ATOM 1379 CB VAL A 87 -5.898 -9.874 -6.175 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.401 -10.096 -6.226 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.321 -10.440 -4.888 1.00 0.00 C ATOM 0 H VAL A 87 -3.467 -9.557 -6.768 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.443 -11.546 -7.436 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.715 -8.800 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.864 -9.656 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.808 -9.626 -7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.610 -11.165 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.832 -9.995 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.460 -11.521 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.257 -10.210 -4.834 1.00 0.00 H new ATOM 1391 N SER A 88 -6.268 -10.566 -9.530 1.00 0.00 N ATOM 1392 CA SER A 88 -6.776 -10.100 -10.776 1.00 0.00 C ATOM 1393 C SER A 88 -8.147 -9.443 -10.582 1.00 0.00 C ATOM 1394 O SER A 88 -8.684 -9.418 -9.458 1.00 0.00 O ATOM 1395 CB SER A 88 -6.879 -11.305 -11.695 1.00 0.00 C ATOM 1396 OG SER A 88 -7.601 -12.355 -11.046 1.00 0.00 O ATOM 0 H SER A 88 -6.417 -11.563 -9.375 1.00 0.00 H new ATOM 0 HA SER A 88 -6.117 -9.347 -11.208 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.382 -11.025 -12.621 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.882 -11.652 -11.966 1.00 0.00 H new ATOM 0 HG SER A 88 -7.664 -13.128 -11.646 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.719 -8.947 -11.669 1.00 0.00 N ATOM 1403 CA GLU A 89 -10.021 -8.304 -11.657 1.00 0.00 C ATOM 1404 C GLU A 89 -11.079 -9.247 -11.113 1.00 0.00 C ATOM 1405 O GLU A 89 -11.844 -8.878 -10.240 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.379 -7.867 -13.064 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.469 -6.806 -13.613 1.00 0.00 C ATOM 1408 CD GLU A 89 -9.619 -6.656 -15.091 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -8.908 -7.364 -15.839 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -10.447 -5.867 -15.537 1.00 0.00 O ATOM 0 H GLU A 89 -8.287 -8.981 -12.592 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.980 -7.431 -11.006 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.351 -8.735 -13.723 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.403 -7.494 -13.070 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.686 -5.855 -13.127 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.435 -7.056 -13.376 1.00 0.00 H new ATOM 1417 N GLN A 90 -11.070 -10.491 -11.588 1.00 0.00 N ATOM 1418 CA GLN A 90 -12.041 -11.494 -11.141 1.00 0.00 C ATOM 1419 C GLN A 90 -11.924 -11.786 -9.648 1.00 0.00 C ATOM 1420 O GLN A 90 -12.910 -12.170 -8.998 1.00 0.00 O ATOM 1421 CB GLN A 90 -11.933 -12.789 -11.942 1.00 0.00 C ATOM 1422 CG GLN A 90 -12.353 -12.670 -13.401 1.00 0.00 C ATOM 1423 CD GLN A 90 -13.717 -12.031 -13.562 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -13.741 -10.756 -13.817 1.00 0.00 O flip ATOM 1425 NE2 GLN A 90 -14.736 -12.699 -13.513 1.00 0.00 N flip ATOM 0 H GLN A 90 -10.403 -10.830 -12.281 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.025 -11.062 -11.322 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.902 -13.140 -11.902 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -12.548 -13.550 -11.462 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.613 -12.080 -13.942 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.364 -13.661 -13.855 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.682 -13.697 -13.311 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -15.642 -12.260 -13.675 1.00 0.00 H new ATOM 1434 N GLY A 91 -10.736 -11.600 -9.112 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.521 -11.799 -7.708 1.00 0.00 C ATOM 1436 C GLY A 91 -11.007 -10.610 -6.914 1.00 0.00 C ATOM 1437 O GLY A 91 -11.666 -10.766 -5.890 1.00 0.00 O ATOM 0 H GLY A 91 -9.909 -11.311 -9.634 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.043 -12.698 -7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.460 -11.959 -7.518 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.718 -9.417 -7.413 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.111 -8.184 -6.742 1.00 0.00 C ATOM 1443 C LEU A 92 -12.630 -7.998 -6.776 1.00 0.00 C ATOM 1444 O LEU A 92 -13.215 -7.467 -5.841 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.426 -6.971 -7.360 1.00 0.00 C ATOM 1446 CG LEU A 92 -10.694 -5.644 -6.640 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.020 -5.608 -5.278 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.292 -4.462 -7.494 1.00 0.00 C ATOM 0 H LEU A 92 -10.210 -9.275 -8.286 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.791 -8.268 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.351 -7.148 -7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.750 -6.877 -8.397 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.768 -5.571 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.229 -4.654 -4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.403 -6.420 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.943 -5.723 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.495 -3.537 -6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.228 -4.523 -7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.863 -4.473 -8.422 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.260 -8.443 -7.852 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.719 -8.392 -7.975 1.00 0.00 C ATOM 1462 C ILE A 93 -15.384 -9.205 -6.851 1.00 0.00 C ATOM 1463 O ILE A 93 -16.414 -8.813 -6.309 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.186 -8.872 -9.390 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.737 -7.848 -10.452 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.704 -9.086 -9.440 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -14.973 -8.271 -11.887 1.00 0.00 C ATOM 0 H ILE A 93 -12.786 -8.847 -8.660 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.035 -7.354 -7.869 1.00 0.00 H new ATOM 0 HB ILE A 93 -14.722 -9.835 -9.602 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.261 -6.909 -10.275 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.674 -7.650 -10.317 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -16.992 -9.419 -10.437 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -16.989 -9.842 -8.709 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.211 -8.149 -9.210 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.625 -7.487 -12.559 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.426 -9.192 -12.090 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -16.038 -8.440 -12.046 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.731 -10.281 -6.450 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.216 -11.127 -5.368 1.00 0.00 C ATOM 1481 C GLU A 94 -15.123 -10.336 -4.041 1.00 0.00 C ATOM 1482 O GLU A 94 -15.994 -10.436 -3.163 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.367 -12.409 -5.310 1.00 0.00 C ATOM 1484 CG GLU A 94 -14.842 -13.469 -4.326 1.00 0.00 C ATOM 1485 CD GLU A 94 -16.210 -14.014 -4.663 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -16.350 -14.694 -5.702 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -17.177 -13.800 -3.885 1.00 0.00 O ATOM 0 H GLU A 94 -13.852 -10.594 -6.862 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.255 -11.411 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -14.339 -12.850 -6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.344 -12.134 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.124 -14.289 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -14.863 -13.043 -3.323 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.079 -9.517 -3.931 1.00 0.00 N ATOM 1495 CA ILE A 95 -13.872 -8.656 -2.768 1.00 0.00 C ATOM 1496 C ILE A 95 -14.943 -7.565 -2.773 1.00 0.00 C ATOM 1497 O ILE A 95 -15.510 -7.215 -1.734 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.475 -7.966 -2.808 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.349 -8.979 -3.080 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.213 -7.193 -1.521 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -11.219 -10.074 -2.056 1.00 0.00 C ATOM 0 H ILE A 95 -13.354 -9.431 -4.644 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.931 -9.273 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.484 -7.257 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.517 -9.433 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.403 -8.441 -3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.232 -6.721 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.978 -6.427 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.241 -7.878 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.400 -10.737 -2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -11.016 -9.636 -1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.147 -10.643 -2.012 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.222 -7.058 -3.963 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.228 -6.043 -4.179 1.00 0.00 C ATOM 1515 C LEU A 96 -17.590 -6.548 -3.715 1.00 0.00 C ATOM 1516 O LEU A 96 -18.337 -5.828 -3.062 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.276 -5.650 -5.662 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.229 -4.513 -6.040 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.805 -3.210 -5.372 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -17.283 -4.349 -7.550 1.00 0.00 C ATOM 0 H LEU A 96 -14.745 -7.348 -4.817 1.00 0.00 H new ATOM 0 HA LEU A 96 -15.968 -5.159 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.270 -5.368 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.552 -6.532 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.227 -4.767 -5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.495 -2.415 -5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.818 -3.335 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.798 -2.947 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.965 -3.537 -7.804 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.287 -4.118 -7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.637 -5.275 -8.004 1.00 0.00 H new ATOM 1532 N LYS A 97 -17.889 -7.794 -4.021 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.143 -8.413 -3.601 1.00 0.00 C ATOM 1534 C LYS A 97 -19.184 -8.561 -2.076 1.00 0.00 C ATOM 1535 O LYS A 97 -20.222 -8.359 -1.457 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.334 -9.774 -4.285 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.342 -9.781 -5.839 1.00 0.00 C ATOM 1538 CD LYS A 97 -20.606 -9.168 -6.494 1.00 0.00 C ATOM 1539 CE LYS A 97 -20.666 -7.632 -6.469 1.00 0.00 C ATOM 1540 NZ LYS A 97 -21.956 -7.127 -6.985 1.00 0.00 N ATOM 0 H LYS A 97 -17.280 -8.407 -4.563 1.00 0.00 H new ATOM 0 HA LYS A 97 -19.964 -7.764 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.540 -10.439 -3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.276 -10.200 -3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.467 -9.236 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.237 -10.810 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.660 -9.503 -7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -21.487 -9.560 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.519 -7.279 -5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.851 -7.226 -7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -21.960 -6.088 -6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -22.085 -7.444 -7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -22.732 -7.494 -6.398 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.033 -8.843 -1.484 1.00 0.00 N ATOM 1555 CA LYS A 98 -17.917 -9.018 -0.044 1.00 0.00 C ATOM 1556 C LYS A 98 -18.189 -7.671 0.663 1.00 0.00 C ATOM 1557 O LYS A 98 -18.925 -7.596 1.660 1.00 0.00 O ATOM 1558 CB LYS A 98 -16.500 -9.483 0.298 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.406 -10.486 1.432 1.00 0.00 C ATOM 1560 CD LYS A 98 -14.968 -10.652 1.880 1.00 0.00 C ATOM 1561 CE LYS A 98 -14.737 -11.909 2.735 1.00 0.00 C ATOM 1562 NZ LYS A 98 -15.793 -12.169 3.751 1.00 0.00 N ATOM 0 H LYS A 98 -17.154 -8.957 -1.988 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.641 -9.761 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.054 -9.924 -0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.900 -8.610 0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.018 -10.153 2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.805 -11.447 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -14.324 -10.696 1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.669 -9.773 2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.665 -12.773 2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -13.777 -11.816 3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.542 -13.013 4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -15.872 -11.350 4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.703 -12.326 3.273 1.00 0.00 H new ATOM 1576 N VAL A 99 -17.618 -6.601 0.123 1.00 0.00 N ATOM 1577 CA VAL A 99 -17.775 -5.278 0.717 1.00 0.00 C ATOM 1578 C VAL A 99 -19.111 -4.642 0.342 1.00 0.00 C ATOM 1579 O VAL A 99 -19.513 -3.645 0.922 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.616 -4.307 0.389 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.279 -4.892 0.811 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -16.608 -3.917 -1.075 1.00 0.00 C ATOM 0 H VAL A 99 -17.045 -6.622 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 99 -17.752 -5.449 1.793 1.00 0.00 H new ATOM 0 HB VAL A 99 -16.780 -3.396 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.482 -4.189 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.286 -5.077 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.109 -5.830 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.780 -3.235 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.491 -4.810 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.548 -3.425 -1.326 1.00 0.00 H new ATOM 1592 N SER A 100 -19.783 -5.194 -0.650 1.00 0.00 N ATOM 1593 CA SER A 100 -21.114 -4.759 -0.978 1.00 0.00 C ATOM 1594 C SER A 100 -22.087 -5.167 0.133 1.00 0.00 C ATOM 1595 O SER A 100 -23.159 -4.580 0.285 1.00 0.00 O ATOM 1596 CB SER A 100 -21.554 -5.325 -2.328 1.00 0.00 C ATOM 1597 OG SER A 100 -20.741 -4.814 -3.383 1.00 0.00 O ATOM 0 H SER A 100 -19.423 -5.945 -1.239 1.00 0.00 H new ATOM 0 HA SER A 100 -21.117 -3.672 -1.059 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.491 -6.413 -2.309 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.598 -5.070 -2.511 1.00 0.00 H new ATOM 0 HG SER A 100 -19.832 -5.169 -3.297 1.00 0.00 H new ATOM 1603 N GLN A 101 -21.683 -6.149 0.921 1.00 0.00 N ATOM 1604 CA GLN A 101 -22.491 -6.609 2.007 1.00 0.00 C ATOM 1605 C GLN A 101 -22.178 -5.860 3.288 1.00 0.00 C ATOM 1606 O GLN A 101 -22.919 -4.951 3.682 1.00 0.00 O ATOM 1607 CB GLN A 101 -22.344 -8.121 2.207 1.00 0.00 C ATOM 1608 CG GLN A 101 -22.756 -8.932 0.995 1.00 0.00 C ATOM 1609 CD GLN A 101 -24.187 -8.654 0.584 1.00 0.00 C ATOM 1610 OE1 GLN A 101 -24.462 -7.763 -0.219 1.00 0.00 O ATOM 1611 NE2 GLN A 101 -25.101 -9.409 1.110 1.00 0.00 N ATOM 0 H GLN A 101 -20.793 -6.637 0.817 1.00 0.00 H new ATOM 0 HA GLN A 101 -23.530 -6.404 1.749 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -21.306 -8.348 2.451 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -22.947 -8.427 3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -22.089 -8.704 0.163 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -22.642 -9.994 1.214 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -24.840 -10.139 1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -26.081 -9.273 0.861 1.00 0.00 H new ATOM 1620 N GLN A 102 -21.067 -6.190 3.908 1.00 0.00 N ATOM 1621 CA GLN A 102 -20.754 -5.626 5.223 1.00 0.00 C ATOM 1622 C GLN A 102 -19.532 -4.738 5.235 1.00 0.00 C ATOM 1623 O GLN A 102 -19.482 -3.788 6.007 1.00 0.00 O ATOM 1624 CB GLN A 102 -20.520 -6.731 6.236 1.00 0.00 C ATOM 1625 CG GLN A 102 -21.672 -7.680 6.440 1.00 0.00 C ATOM 1626 CD GLN A 102 -21.374 -8.650 7.550 1.00 0.00 C ATOM 1627 OE1 GLN A 102 -21.676 -8.384 8.708 1.00 0.00 O ATOM 1628 NE2 GLN A 102 -20.744 -9.742 7.228 1.00 0.00 N ATOM 0 H GLN A 102 -20.368 -6.835 3.539 1.00 0.00 H new ATOM 0 HA GLN A 102 -21.621 -5.018 5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -19.649 -7.307 5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -20.274 -6.275 7.195 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -22.575 -7.117 6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -21.868 -8.226 5.517 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -20.510 -9.927 6.253 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -20.484 -10.413 7.951 1.00 0.00 H new ATOM 1637 N THR A 103 -18.575 -5.042 4.374 1.00 0.00 N ATOM 1638 CA THR A 103 -17.257 -4.445 4.418 1.00 0.00 C ATOM 1639 C THR A 103 -16.545 -4.947 5.672 1.00 0.00 C ATOM 1640 O THR A 103 -16.763 -4.458 6.788 1.00 0.00 O ATOM 1641 CB THR A 103 -17.281 -2.911 4.369 1.00 0.00 C ATOM 1642 OG1 THR A 103 -17.918 -2.482 3.145 1.00 0.00 O ATOM 1643 CG2 THR A 103 -15.867 -2.347 4.469 1.00 0.00 C ATOM 0 H THR A 103 -18.696 -5.717 3.619 1.00 0.00 H new ATOM 0 HA THR A 103 -16.715 -4.750 3.523 1.00 0.00 H new ATOM 0 HB THR A 103 -17.850 -2.534 5.219 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.293 -3.260 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 103 -15.906 -1.258 4.432 1.00 0.00 H new ATOM 0 HG22 THR A 103 -15.415 -2.662 5.409 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.268 -2.717 3.637 1.00 0.00 H new ATOM 1651 N GLU A 104 -15.742 -5.951 5.463 1.00 0.00 N ATOM 1652 CA GLU A 104 -15.095 -6.693 6.516 1.00 0.00 C ATOM 1653 C GLU A 104 -14.163 -5.800 7.339 1.00 0.00 C ATOM 1654 O GLU A 104 -13.063 -5.431 6.891 1.00 0.00 O ATOM 1655 CB GLU A 104 -14.352 -7.878 5.904 1.00 0.00 C ATOM 1656 CG GLU A 104 -15.151 -8.623 4.834 1.00 0.00 C ATOM 1657 CD GLU A 104 -16.456 -9.214 5.314 1.00 0.00 C ATOM 1658 OE1 GLU A 104 -17.467 -8.499 5.409 1.00 0.00 O ATOM 1659 OE2 GLU A 104 -16.499 -10.416 5.542 1.00 0.00 O ATOM 0 H GLU A 104 -15.510 -6.289 4.529 1.00 0.00 H new ATOM 0 HA GLU A 104 -15.849 -7.068 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.419 -7.523 5.466 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -14.086 -8.577 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -15.359 -7.937 4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -14.532 -9.424 4.431 1.00 0.00 H new ATOM 1666 N LYS A 105 -14.655 -5.446 8.528 1.00 0.00 N ATOM 1667 CA LYS A 105 -14.013 -4.544 9.468 1.00 0.00 C ATOM 1668 C LYS A 105 -13.892 -3.160 8.814 1.00 0.00 C ATOM 1669 O LYS A 105 -12.849 -2.780 8.270 1.00 0.00 O ATOM 1670 CB LYS A 105 -12.666 -5.111 9.994 1.00 0.00 C ATOM 1671 CG LYS A 105 -12.221 -4.593 11.372 1.00 0.00 C ATOM 1672 CD LYS A 105 -11.791 -3.141 11.373 1.00 0.00 C ATOM 1673 CE LYS A 105 -11.484 -2.664 12.779 1.00 0.00 C ATOM 1674 NZ LYS A 105 -11.000 -1.274 12.789 1.00 0.00 N ATOM 0 H LYS A 105 -15.549 -5.798 8.870 1.00 0.00 H new ATOM 0 HA LYS A 105 -14.627 -4.441 10.363 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -12.743 -6.197 10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.886 -4.878 9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.041 -4.719 12.079 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.394 -5.207 11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.909 -3.019 10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.579 -2.525 10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.381 -2.741 13.393 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.733 -3.314 13.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.010 -0.910 13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.029 -1.242 12.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.618 -0.687 12.194 1.00 0.00 H new ATOM 1688 N THR A 106 -14.996 -2.451 8.834 1.00 0.00 N ATOM 1689 CA THR A 106 -15.144 -1.185 8.172 1.00 0.00 C ATOM 1690 C THR A 106 -14.357 -0.081 8.896 1.00 0.00 C ATOM 1691 O THR A 106 -14.660 0.261 10.051 1.00 0.00 O ATOM 1692 CB THR A 106 -16.620 -0.809 8.159 1.00 0.00 C ATOM 1693 OG1 THR A 106 -17.420 -1.974 7.848 1.00 0.00 O ATOM 1694 CG2 THR A 106 -16.899 0.284 7.135 1.00 0.00 C ATOM 0 H THR A 106 -15.837 -2.751 9.326 1.00 0.00 H new ATOM 0 HA THR A 106 -14.755 -1.277 7.158 1.00 0.00 H new ATOM 0 HB THR A 106 -16.882 -0.433 9.148 1.00 0.00 H new ATOM 0 HG1 THR A 106 -16.877 -2.621 7.351 1.00 0.00 H new ATOM 0 HG21 THR A 106 -17.960 0.532 7.148 1.00 0.00 H new ATOM 0 HG22 THR A 106 -16.316 1.171 7.382 1.00 0.00 H new ATOM 0 HG23 THR A 106 -16.621 -0.068 6.142 1.00 0.00 H new ATOM 1702 N THR A 107 -13.316 0.426 8.259 1.00 0.00 N ATOM 1703 CA THR A 107 -12.519 1.519 8.826 1.00 0.00 C ATOM 1704 C THR A 107 -11.845 2.371 7.720 1.00 0.00 C ATOM 1705 O THR A 107 -11.654 3.585 7.888 1.00 0.00 O ATOM 1706 CB THR A 107 -11.447 0.959 9.820 1.00 0.00 C ATOM 1707 OG1 THR A 107 -12.107 0.275 10.902 1.00 0.00 O ATOM 1708 CG2 THR A 107 -10.560 2.059 10.400 1.00 0.00 C ATOM 0 H THR A 107 -12.996 0.103 7.346 1.00 0.00 H new ATOM 0 HA THR A 107 -13.198 2.172 9.374 1.00 0.00 H new ATOM 0 HB THR A 107 -10.810 0.276 9.258 1.00 0.00 H new ATOM 0 HG1 THR A 107 -13.057 0.515 10.909 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.834 1.618 11.083 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.035 2.568 9.591 1.00 0.00 H new ATOM 0 HG23 THR A 107 -11.177 2.777 10.940 1.00 0.00 H new ATOM 1716 N THR A 108 -11.557 1.736 6.588 1.00 0.00 N ATOM 1717 CA THR A 108 -10.829 2.319 5.475 1.00 0.00 C ATOM 1718 C THR A 108 -9.345 2.535 5.861 1.00 0.00 C ATOM 1719 O THR A 108 -8.503 1.698 5.548 1.00 0.00 O ATOM 1720 CB THR A 108 -11.494 3.606 4.952 1.00 0.00 C ATOM 1721 OG1 THR A 108 -12.882 3.344 4.658 1.00 0.00 O ATOM 1722 CG2 THR A 108 -10.799 4.113 3.697 1.00 0.00 C ATOM 0 H THR A 108 -11.835 0.769 6.418 1.00 0.00 H new ATOM 0 HA THR A 108 -10.860 1.614 4.644 1.00 0.00 H new ATOM 0 HB THR A 108 -11.412 4.372 5.723 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.427 4.107 4.945 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.290 5.022 3.351 1.00 0.00 H new ATOM 0 HG22 THR A 108 -9.754 4.328 3.921 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.854 3.352 2.918 1.00 0.00 H new ATOM 1730 N VAL A 109 -9.084 3.614 6.579 1.00 0.00 N ATOM 1731 CA VAL A 109 -7.789 4.013 7.149 1.00 0.00 C ATOM 1732 C VAL A 109 -8.083 5.152 8.083 1.00 0.00 C ATOM 1733 O VAL A 109 -9.218 5.651 8.099 1.00 0.00 O ATOM 1734 CB VAL A 109 -6.682 4.500 6.117 1.00 0.00 C ATOM 1735 CG1 VAL A 109 -6.031 3.366 5.348 1.00 0.00 C ATOM 1736 CG2 VAL A 109 -7.231 5.537 5.158 1.00 0.00 C ATOM 0 H VAL A 109 -9.817 4.288 6.800 1.00 0.00 H new ATOM 0 HA VAL A 109 -7.363 3.124 7.614 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.902 4.958 6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.287 3.771 4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.548 2.683 6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.791 2.828 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.446 5.846 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.061 5.109 4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.582 6.403 5.720 1.00 0.00 H new ATOM 1746 N LYS A 110 -7.118 5.566 8.848 1.00 0.00 N ATOM 1747 CA LYS A 110 -7.300 6.687 9.724 1.00 0.00 C ATOM 1748 C LYS A 110 -6.916 7.950 8.962 1.00 0.00 C ATOM 1749 O LYS A 110 -5.728 8.191 8.684 1.00 0.00 O ATOM 1750 CB LYS A 110 -6.478 6.494 11.037 1.00 0.00 C ATOM 1751 CG LYS A 110 -6.714 7.541 12.141 1.00 0.00 C ATOM 1752 CD LYS A 110 -5.947 8.841 11.917 1.00 0.00 C ATOM 1753 CE LYS A 110 -6.366 9.910 12.915 1.00 0.00 C ATOM 1754 NZ LYS A 110 -7.775 10.318 12.717 1.00 0.00 N ATOM 0 H LYS A 110 -6.191 5.142 8.884 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.341 6.775 10.034 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.706 5.509 11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.418 6.496 10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.780 7.762 12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.423 7.117 13.102 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.877 8.655 12.009 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.123 9.199 10.903 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.235 9.533 13.929 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.717 10.780 12.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.932 11.248 13.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.980 10.376 11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.405 9.617 13.157 1.00 0.00 H new ATOM 1768 N PHE A 111 -7.917 8.708 8.569 1.00 0.00 N ATOM 1769 CA PHE A 111 -7.716 9.944 7.842 1.00 0.00 C ATOM 1770 C PHE A 111 -7.517 11.110 8.803 1.00 0.00 C ATOM 1771 O PHE A 111 -7.697 10.973 10.028 1.00 0.00 O ATOM 1772 CB PHE A 111 -8.904 10.265 6.924 1.00 0.00 C ATOM 1773 CG PHE A 111 -9.133 9.320 5.779 1.00 0.00 C ATOM 1774 CD1 PHE A 111 -8.355 9.398 4.638 1.00 0.00 C ATOM 1775 CD2 PHE A 111 -10.152 8.392 5.825 1.00 0.00 C ATOM 1776 CE1 PHE A 111 -8.589 8.562 3.564 1.00 0.00 C ATOM 1777 CE2 PHE A 111 -10.389 7.547 4.762 1.00 0.00 C ATOM 1778 CZ PHE A 111 -9.609 7.635 3.627 1.00 0.00 C ATOM 0 H PHE A 111 -8.896 8.484 8.745 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.823 9.806 7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.809 10.292 7.532 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.762 11.267 6.518 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.555 10.121 4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -10.773 8.326 6.706 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.976 8.634 2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -11.184 6.818 4.817 1.00 0.00 H new ATOM 0 HZ PHE A 111 -9.797 6.979 2.790 1.00 0.00 H new ATOM 1788 N ASN A 112 -7.170 12.241 8.242 1.00 0.00 N ATOM 1789 CA ASN A 112 -6.957 13.473 8.966 1.00 0.00 C ATOM 1790 C ASN A 112 -7.059 14.605 7.975 1.00 0.00 C ATOM 1791 O ASN A 112 -8.119 15.230 7.883 1.00 0.00 O ATOM 1792 CB ASN A 112 -5.580 13.514 9.648 1.00 0.00 C ATOM 1793 CG ASN A 112 -5.333 14.826 10.402 1.00 0.00 C ATOM 1794 OD1 ASN A 112 -6.364 15.387 10.994 1.00 0.00 O flip ATOM 1795 ND2 ASN A 112 -4.201 15.309 10.474 1.00 0.00 N flip ATOM 1796 OXT ASN A 112 -6.103 14.815 7.225 1.00 0.00 O ATOM 0 H ASN A 112 -7.023 12.335 7.237 1.00 0.00 H new ATOM 0 HA ASN A 112 -7.707 13.556 9.753 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.498 12.679 10.344 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.802 13.380 8.896 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.420 14.851 10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -4.045 16.167 11.004 1.00 0.00 H new TER 1803 ASN A 112