USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 649 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 32 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 34 SER OG : rot 180:sc= 0.0623 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0978 USER MOD Single : A 35 GLN : amide:sc= -3.74 K(o=-3.7,f=-5.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HE2:sc= -0.17 F(o=-1.8,f=-0.17) USER MOD Single : A 42 GLN : amide:sc= -1.84! C(o=-1.8!,f=-5!) USER MOD Single : A 46 SER OG : rot -110:sc= -0.526 USER MOD Single : A 53 GLN : amide:sc= -4.03 X(o=-4,f=-4.1) USER MOD Single : A 54 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 63 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.7!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.484 USER MOD Single : A 67 ASN : amide:sc= -4.47! C(o=-4.5!,f=-13!) USER MOD Single : A 69 TYR OH : rot 30:sc= -0.141 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.327 K(o=-0.33,f=-2.8!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 76 THR OG1 : rot 70:sc= -2.68! USER MOD Single : A 77 GLN :FLIP amide:sc= -0.561 F(o=-1.7,f=-0.56) USER MOD Single : A 79 THR OG1 : rot -62:sc= 1.4 USER MOD Single : A 82 MET CE :methyl -162:sc= -2.6 (180deg=-3.35!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0.19 K(o=0.19,f=-0.37) USER MOD Single : A 87 HIS : no HD1:sc= -4.14! K(o=-4.1!,f=-6.3) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -2.77! C(o=-3.9!,f=-2.8!) USER MOD Single : A 105 ASN : amide:sc= -2.34 K(o=-2.3,f=-7!) USER MOD Single : A 109 MET CE :methyl -115:sc= -12.9! (180deg=-24.5!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 65:sc= 0.429 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl 159:sc= -1.25 (180deg=-1.94) USER MOD Single : A 124 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.83) USER MOD Single : A 125 HIS :FLIP no HD1:sc= -0.111 F(o=-0.76,f=-0.11) USER MOD Single : A 127 MET CE :methyl -164:sc= -0.0155 (180deg=-0.343) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.386 11.241 -7.220 1.00 0.00 N ATOM 44 CA THR A 32 -15.589 10.599 -6.701 1.00 0.00 C ATOM 45 C THR A 32 -15.292 9.849 -5.405 1.00 0.00 C ATOM 46 O THR A 32 -14.224 9.258 -5.250 1.00 0.00 O ATOM 47 CB THR A 32 -16.168 9.635 -7.739 1.00 0.00 C ATOM 48 OG1 THR A 32 -17.128 8.778 -7.147 1.00 0.00 O ATOM 49 CG2 THR A 32 -15.120 8.764 -8.398 1.00 0.00 C ATOM 0 HA THR A 32 -16.322 11.378 -6.489 1.00 0.00 H new ATOM 0 HB THR A 32 -16.621 10.270 -8.501 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.488 8.170 -7.827 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.598 8.105 -9.122 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.391 9.394 -8.907 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.616 8.165 -7.640 1.00 0.00 H new ATOM 57 N SER A 33 -16.244 9.879 -4.478 1.00 0.00 N ATOM 58 CA SER A 33 -16.084 9.202 -3.194 1.00 0.00 C ATOM 59 C SER A 33 -15.766 7.723 -3.393 1.00 0.00 C ATOM 60 O SER A 33 -14.973 7.143 -2.652 1.00 0.00 O ATOM 61 CB SER A 33 -17.353 9.354 -2.353 1.00 0.00 C ATOM 62 OG SER A 33 -18.483 9.600 -3.173 1.00 0.00 O ATOM 0 H SER A 33 -17.134 10.364 -4.591 1.00 0.00 H new ATOM 0 HA SER A 33 -15.249 9.666 -2.669 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.515 8.449 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.228 10.174 -1.646 1.00 0.00 H new ATOM 0 HG SER A 33 -19.281 9.691 -2.611 1.00 0.00 H new ATOM 68 N SER A 34 -16.389 7.120 -4.400 1.00 0.00 N ATOM 69 CA SER A 34 -16.172 5.710 -4.698 1.00 0.00 C ATOM 70 C SER A 34 -14.713 5.449 -5.056 1.00 0.00 C ATOM 71 O SER A 34 -14.144 4.428 -4.670 1.00 0.00 O ATOM 72 CB SER A 34 -17.079 5.262 -5.846 1.00 0.00 C ATOM 73 OG SER A 34 -18.218 6.098 -5.952 1.00 0.00 O ATOM 0 H SER A 34 -17.048 7.586 -5.023 1.00 0.00 H new ATOM 0 HA SER A 34 -16.418 5.134 -3.806 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.522 5.281 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.394 4.231 -5.684 1.00 0.00 H new ATOM 0 HG SER A 34 -18.781 5.792 -6.694 1.00 0.00 H new ATOM 79 N GLN A 35 -14.111 6.377 -5.793 1.00 0.00 N ATOM 80 CA GLN A 35 -12.718 6.241 -6.196 1.00 0.00 C ATOM 81 C GLN A 35 -11.798 6.312 -4.987 1.00 0.00 C ATOM 82 O GLN A 35 -10.854 5.531 -4.866 1.00 0.00 O ATOM 83 CB GLN A 35 -12.347 7.327 -7.203 1.00 0.00 C ATOM 84 CG GLN A 35 -11.007 7.098 -7.882 1.00 0.00 C ATOM 85 CD GLN A 35 -9.844 7.644 -7.078 1.00 0.00 C ATOM 86 OE1 GLN A 35 -9.578 8.846 -7.088 1.00 0.00 O ATOM 87 NE2 GLN A 35 -9.143 6.760 -6.377 1.00 0.00 N ATOM 0 H GLN A 35 -14.566 7.229 -6.122 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.594 5.266 -6.668 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.125 7.385 -7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.326 8.291 -6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.863 6.029 -8.042 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.017 7.569 -8.865 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.400 5.773 -6.398 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.348 7.068 -5.817 1.00 0.00 H new ATOM 96 N LEU A 36 -12.085 7.245 -4.084 1.00 0.00 N ATOM 97 CA LEU A 36 -11.286 7.403 -2.875 1.00 0.00 C ATOM 98 C LEU A 36 -11.174 6.070 -2.147 1.00 0.00 C ATOM 99 O LEU A 36 -10.080 5.633 -1.787 1.00 0.00 O ATOM 100 CB LEU A 36 -11.914 8.451 -1.952 1.00 0.00 C ATOM 101 CG LEU A 36 -11.465 9.891 -2.204 1.00 0.00 C ATOM 102 CD1 LEU A 36 -9.948 10.005 -2.124 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.969 10.375 -3.555 1.00 0.00 C ATOM 0 H LEU A 36 -12.862 7.900 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.289 7.740 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.998 8.401 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.681 8.190 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.894 10.525 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.651 11.038 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.612 9.700 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.494 9.359 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.641 11.401 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.570 9.736 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.058 10.335 -3.573 1.00 0.00 H new ATOM 115 N LEU A 37 -12.317 5.424 -1.947 1.00 0.00 N ATOM 116 CA LEU A 37 -12.354 4.135 -1.276 1.00 0.00 C ATOM 117 C LEU A 37 -12.008 3.000 -2.243 1.00 0.00 C ATOM 118 O LEU A 37 -11.671 1.896 -1.819 1.00 0.00 O ATOM 119 CB LEU A 37 -13.729 3.899 -0.641 1.00 0.00 C ATOM 120 CG LEU A 37 -14.828 3.442 -1.602 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.828 1.927 -1.729 1.00 0.00 C ATOM 122 CD2 LEU A 37 -16.186 3.940 -1.131 1.00 0.00 C ATOM 0 H LEU A 37 -13.229 5.774 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.603 4.145 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.623 3.151 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.051 4.823 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.627 3.868 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.616 1.620 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.863 1.594 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.005 1.480 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.957 3.606 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.395 3.542 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.180 5.029 -1.091 1.00 0.00 H new ATOM 134 N SER A 38 -12.092 3.273 -3.545 1.00 0.00 N ATOM 135 CA SER A 38 -11.783 2.260 -4.548 1.00 0.00 C ATOM 136 C SER A 38 -10.305 1.888 -4.507 1.00 0.00 C ATOM 137 O SER A 38 -9.932 0.754 -4.809 1.00 0.00 O ATOM 138 CB SER A 38 -12.149 2.761 -5.943 1.00 0.00 C ATOM 139 OG SER A 38 -11.793 1.814 -6.935 1.00 0.00 O ATOM 0 H SER A 38 -12.369 4.178 -3.925 1.00 0.00 H new ATOM 0 HA SER A 38 -12.373 1.372 -4.321 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.220 2.959 -5.992 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.641 3.705 -6.138 1.00 0.00 H new ATOM 0 HG SER A 38 -12.039 2.158 -7.819 1.00 0.00 H new ATOM 145 N VAL A 39 -9.467 2.849 -4.133 1.00 0.00 N ATOM 146 CA VAL A 39 -8.031 2.616 -4.057 1.00 0.00 C ATOM 147 C VAL A 39 -7.625 2.113 -2.679 1.00 0.00 C ATOM 148 O VAL A 39 -6.732 1.275 -2.555 1.00 0.00 O ATOM 149 CB VAL A 39 -7.224 3.887 -4.385 1.00 0.00 C ATOM 150 CG1 VAL A 39 -7.162 4.107 -5.890 1.00 0.00 C ATOM 151 CG2 VAL A 39 -7.814 5.100 -3.680 1.00 0.00 C ATOM 0 H VAL A 39 -9.757 3.793 -3.879 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.804 1.854 -4.803 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.206 3.751 -4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.588 5.009 -6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.681 3.251 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.172 4.219 -6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.228 5.985 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.844 5.245 -4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.793 4.940 -2.602 1.00 0.00 H new ATOM 161 N ARG A 40 -8.280 2.623 -1.641 1.00 0.00 N ATOM 162 CA ARG A 40 -7.964 2.203 -0.283 1.00 0.00 C ATOM 163 C ARG A 40 -8.339 0.741 -0.078 1.00 0.00 C ATOM 164 O ARG A 40 -7.762 0.053 0.763 1.00 0.00 O ATOM 165 CB ARG A 40 -8.671 3.092 0.745 1.00 0.00 C ATOM 166 CG ARG A 40 -10.165 2.825 0.879 1.00 0.00 C ATOM 167 CD ARG A 40 -10.465 1.727 1.891 1.00 0.00 C ATOM 168 NE ARG A 40 -9.669 1.862 3.109 1.00 0.00 N ATOM 169 CZ ARG A 40 -9.421 0.859 3.949 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.903 -0.354 3.708 1.00 0.00 N ATOM 171 NH2 ARG A 40 -8.689 1.071 5.034 1.00 0.00 N ATOM 0 H ARG A 40 -9.023 3.318 -1.713 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.889 2.309 -0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.199 2.950 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.523 4.136 0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.671 3.742 1.180 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.570 2.542 -0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.524 1.752 2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.269 0.755 1.438 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.280 2.779 3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.467 -0.522 2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.709 -1.118 4.356 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.317 2.001 5.224 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.498 0.304 5.678 1.00 0.00 H new ATOM 185 N HIS A 41 -9.304 0.269 -0.862 1.00 0.00 N ATOM 186 CA HIS A 41 -9.748 -1.115 -0.775 1.00 0.00 C ATOM 187 C HIS A 41 -8.859 -2.014 -1.627 1.00 0.00 C ATOM 188 O HIS A 41 -8.605 -3.168 -1.277 1.00 0.00 O ATOM 189 CB HIS A 41 -11.204 -1.235 -1.230 1.00 0.00 C ATOM 190 CG HIS A 41 -12.199 -1.008 -0.133 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.689 0.139 0.398 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.815 -2.036 0.550 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.581 -0.215 1.379 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.640 -1.532 1.451 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.792 0.826 -1.564 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.676 -1.435 0.264 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.386 -0.516 -2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.363 -2.227 -1.653 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -12.441 1.089 0.120 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.649 -3.089 0.376 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.144 0.473 1.993 1.00 0.00 H new ATOM 203 N GLN A 42 -8.387 -1.476 -2.749 1.00 0.00 N ATOM 204 CA GLN A 42 -7.526 -2.227 -3.656 1.00 0.00 C ATOM 205 C GLN A 42 -6.078 -2.228 -3.169 1.00 0.00 C ATOM 206 O GLN A 42 -5.370 -3.226 -3.305 1.00 0.00 O ATOM 207 CB GLN A 42 -7.612 -1.645 -5.075 1.00 0.00 C ATOM 208 CG GLN A 42 -6.674 -0.473 -5.328 1.00 0.00 C ATOM 209 CD GLN A 42 -5.281 -0.917 -5.729 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.293 -0.559 -5.087 1.00 0.00 O ATOM 211 NE2 GLN A 42 -5.194 -1.702 -6.797 1.00 0.00 N ATOM 0 H GLN A 42 -8.587 -0.522 -3.051 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.875 -3.260 -3.675 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.390 -2.434 -5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.636 -1.323 -5.262 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.090 0.158 -6.113 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.611 0.138 -4.428 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.039 -1.975 -7.300 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.283 -2.032 -7.114 1.00 0.00 H new ATOM 220 N LEU A 43 -5.642 -1.104 -2.607 1.00 0.00 N ATOM 221 CA LEU A 43 -4.275 -0.982 -2.111 1.00 0.00 C ATOM 222 C LEU A 43 -4.092 -1.764 -0.814 1.00 0.00 C ATOM 223 O LEU A 43 -3.160 -2.557 -0.684 1.00 0.00 O ATOM 224 CB LEU A 43 -3.918 0.496 -1.896 1.00 0.00 C ATOM 225 CG LEU A 43 -2.437 0.881 -2.084 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.804 1.239 -0.747 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.647 -0.234 -2.761 1.00 0.00 C ATOM 0 H LEU A 43 -6.213 -0.268 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.603 -1.403 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.516 1.095 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.218 0.776 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.406 1.754 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.759 1.508 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.335 2.083 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.864 0.383 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.608 0.074 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.692 -1.135 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.075 -0.439 -3.742 1.00 0.00 H new ATOM 239 N ALA A 44 -4.987 -1.538 0.145 1.00 0.00 N ATOM 240 CA ALA A 44 -4.920 -2.227 1.431 1.00 0.00 C ATOM 241 C ALA A 44 -4.847 -3.738 1.242 1.00 0.00 C ATOM 242 O ALA A 44 -4.020 -4.411 1.857 1.00 0.00 O ATOM 243 CB ALA A 44 -6.121 -1.864 2.292 1.00 0.00 C ATOM 0 H ALA A 44 -5.765 -0.885 0.056 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.011 -1.903 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.055 -2.386 3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.132 -0.788 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.038 -2.157 1.780 1.00 0.00 H new ATOM 249 N GLU A 45 -5.717 -4.266 0.387 1.00 0.00 N ATOM 250 CA GLU A 45 -5.750 -5.699 0.117 1.00 0.00 C ATOM 251 C GLU A 45 -4.399 -6.186 -0.400 1.00 0.00 C ATOM 252 O GLU A 45 -3.856 -7.176 0.090 1.00 0.00 O ATOM 253 CB GLU A 45 -6.845 -6.020 -0.901 1.00 0.00 C ATOM 254 CG GLU A 45 -8.238 -6.081 -0.296 1.00 0.00 C ATOM 255 CD GLU A 45 -8.884 -7.445 -0.449 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.365 -8.417 0.140 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.909 -7.540 -1.157 1.00 0.00 O ATOM 0 H GLU A 45 -6.408 -3.723 -0.131 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.969 -6.216 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.832 -5.265 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.621 -6.976 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.181 -5.827 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.869 -5.329 -0.771 1.00 0.00 H new ATOM 264 N SER A 46 -3.864 -5.483 -1.393 1.00 0.00 N ATOM 265 CA SER A 46 -2.577 -5.840 -1.979 1.00 0.00 C ATOM 266 C SER A 46 -1.436 -5.567 -1.002 1.00 0.00 C ATOM 267 O SER A 46 -0.403 -6.235 -1.037 1.00 0.00 O ATOM 268 CB SER A 46 -2.352 -5.060 -3.275 1.00 0.00 C ATOM 269 OG SER A 46 -1.493 -5.764 -4.155 1.00 0.00 O ATOM 0 H SER A 46 -4.303 -4.662 -1.809 1.00 0.00 H new ATOM 0 HA SER A 46 -2.591 -6.907 -2.201 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.309 -4.879 -3.764 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.922 -4.085 -3.046 1.00 0.00 H new ATOM 0 HG SER A 46 -0.633 -5.298 -4.214 1.00 0.00 H new ATOM 275 N ALA A 47 -1.630 -4.580 -0.133 1.00 0.00 N ATOM 276 CA ALA A 47 -0.616 -4.218 0.852 1.00 0.00 C ATOM 277 C ALA A 47 -0.473 -5.300 1.919 1.00 0.00 C ATOM 278 O ALA A 47 -0.852 -5.102 3.074 1.00 0.00 O ATOM 279 CB ALA A 47 -0.958 -2.880 1.494 1.00 0.00 C ATOM 0 H ALA A 47 -2.479 -4.017 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 47 0.340 -4.127 0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.193 -2.622 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.000 -2.108 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.926 -2.951 1.990 1.00 0.00 H new ATOM 285 N GLY A 48 0.075 -6.445 1.523 1.00 0.00 N ATOM 286 CA GLY A 48 0.258 -7.542 2.457 1.00 0.00 C ATOM 287 C GLY A 48 0.754 -8.805 1.780 1.00 0.00 C ATOM 288 O GLY A 48 0.222 -9.214 0.748 1.00 0.00 O ATOM 0 H GLY A 48 0.395 -6.633 0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.969 -7.244 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.687 -7.750 2.958 1.00 0.00 H new ATOM 292 N LEU A 49 1.777 -9.424 2.361 1.00 0.00 N ATOM 293 CA LEU A 49 2.347 -10.648 1.807 1.00 0.00 C ATOM 294 C LEU A 49 1.427 -11.841 2.058 1.00 0.00 C ATOM 295 O LEU A 49 0.686 -11.870 3.040 1.00 0.00 O ATOM 296 CB LEU A 49 3.724 -10.918 2.417 1.00 0.00 C ATOM 297 CG LEU A 49 4.829 -9.947 1.992 1.00 0.00 C ATOM 298 CD1 LEU A 49 6.180 -10.423 2.505 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.856 -9.796 0.478 1.00 0.00 C ATOM 0 H LEU A 49 2.229 -9.098 3.216 1.00 0.00 H new ATOM 0 HA LEU A 49 2.453 -10.512 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.634 -10.888 3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.029 -11.930 2.150 1.00 0.00 H new ATOM 0 HG LEU A 49 4.617 -8.971 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.955 -9.722 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.157 -10.479 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.398 -11.409 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.648 -9.102 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.043 -10.767 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.896 -9.411 0.134 1.00 0.00 H new ATOM 311 N PRO A 50 1.464 -12.847 1.166 1.00 0.00 N ATOM 312 CA PRO A 50 0.629 -14.047 1.294 1.00 0.00 C ATOM 313 C PRO A 50 0.921 -14.828 2.576 1.00 0.00 C ATOM 314 O PRO A 50 0.222 -14.669 3.577 1.00 0.00 O ATOM 315 CB PRO A 50 0.986 -14.877 0.053 1.00 0.00 C ATOM 316 CG PRO A 50 2.301 -14.347 -0.407 1.00 0.00 C ATOM 317 CD PRO A 50 2.317 -12.893 -0.033 1.00 0.00 C ATOM 0 HA PRO A 50 -0.430 -13.798 1.355 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.052 -15.938 0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.227 -14.773 -0.722 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.124 -14.881 0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.418 -14.474 -1.483 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.327 -12.542 0.177 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.922 -12.267 -0.833 1.00 0.00 H new ATOM 325 N ARG A 51 1.952 -15.671 2.547 1.00 0.00 N ATOM 326 CA ARG A 51 2.316 -16.466 3.714 1.00 0.00 C ATOM 327 C ARG A 51 3.822 -16.714 3.768 1.00 0.00 C ATOM 328 O ARG A 51 4.512 -16.211 4.655 1.00 0.00 O ATOM 329 CB ARG A 51 1.569 -17.801 3.702 1.00 0.00 C ATOM 330 CG ARG A 51 1.390 -18.413 5.083 1.00 0.00 C ATOM 331 CD ARG A 51 2.416 -19.503 5.348 1.00 0.00 C ATOM 332 NE ARG A 51 2.421 -19.922 6.748 1.00 0.00 N ATOM 333 CZ ARG A 51 1.476 -20.679 7.299 1.00 0.00 C ATOM 334 NH1 ARG A 51 0.449 -21.103 6.573 1.00 0.00 N ATOM 335 NH2 ARG A 51 1.559 -21.015 8.579 1.00 0.00 N ATOM 0 H ARG A 51 2.546 -15.819 1.731 1.00 0.00 H new ATOM 0 HA ARG A 51 2.031 -15.903 4.603 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.588 -17.655 3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.110 -18.505 3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.480 -17.635 5.841 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.386 -18.828 5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.203 -20.363 4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.407 -19.142 5.074 1.00 0.00 H new ATOM 0 HE ARG A 51 3.195 -19.616 7.338 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.382 -20.849 5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.273 -21.683 7.001 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.347 -20.693 9.141 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.835 -21.595 9.002 1.00 0.00 H new ATOM 349 N ASP A 52 4.324 -17.497 2.818 1.00 0.00 N ATOM 350 CA ASP A 52 5.746 -17.819 2.763 1.00 0.00 C ATOM 351 C ASP A 52 6.580 -16.584 2.436 1.00 0.00 C ATOM 352 O ASP A 52 7.729 -16.470 2.862 1.00 0.00 O ATOM 353 CB ASP A 52 6.003 -18.911 1.724 1.00 0.00 C ATOM 354 CG ASP A 52 5.414 -20.247 2.132 1.00 0.00 C ATOM 355 OD1 ASP A 52 4.227 -20.490 1.830 1.00 0.00 O ATOM 356 OD2 ASP A 52 6.140 -21.051 2.755 1.00 0.00 O ATOM 0 H ASP A 52 3.767 -17.920 2.076 1.00 0.00 H new ATOM 0 HA ASP A 52 6.045 -18.182 3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.578 -18.606 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.077 -19.021 1.575 1.00 0.00 H new ATOM 361 N GLN A 53 5.996 -15.664 1.675 1.00 0.00 N ATOM 362 CA GLN A 53 6.689 -14.439 1.289 1.00 0.00 C ATOM 363 C GLN A 53 7.213 -13.692 2.514 1.00 0.00 C ATOM 364 O GLN A 53 8.319 -13.153 2.498 1.00 0.00 O ATOM 365 CB GLN A 53 5.753 -13.534 0.484 1.00 0.00 C ATOM 366 CG GLN A 53 6.072 -13.498 -1.002 1.00 0.00 C ATOM 367 CD GLN A 53 4.869 -13.825 -1.868 1.00 0.00 C ATOM 368 OE1 GLN A 53 4.581 -14.991 -2.136 1.00 0.00 O ATOM 369 NE2 GLN A 53 4.161 -12.792 -2.312 1.00 0.00 N ATOM 0 H GLN A 53 5.045 -15.743 1.313 1.00 0.00 H new ATOM 0 HA GLN A 53 7.542 -14.715 0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.727 -13.875 0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.808 -12.521 0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.446 -12.508 -1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.871 -14.208 -1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.436 -11.841 -2.065 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.342 -12.950 -2.900 1.00 0.00 H new ATOM 378 N HIS A 54 6.408 -13.661 3.572 1.00 0.00 N ATOM 379 CA HIS A 54 6.788 -12.976 4.802 1.00 0.00 C ATOM 380 C HIS A 54 7.844 -13.767 5.570 1.00 0.00 C ATOM 381 O HIS A 54 8.750 -13.191 6.172 1.00 0.00 O ATOM 382 CB HIS A 54 5.559 -12.758 5.687 1.00 0.00 C ATOM 383 CG HIS A 54 5.861 -12.031 6.960 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.680 -12.545 7.944 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.454 -10.819 7.407 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.763 -11.681 8.940 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.029 -10.627 8.639 1.00 0.00 N ATOM 0 H HIS A 54 5.489 -14.102 3.602 1.00 0.00 H new ATOM 0 HA HIS A 54 7.213 -12.010 4.530 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.812 -12.197 5.126 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.117 -13.725 5.926 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.800 -10.132 6.891 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.335 -11.815 9.847 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.908 -9.802 9.227 1.00 0.00 H new ATOM 396 N GLU A 55 7.714 -15.089 5.552 1.00 0.00 N ATOM 397 CA GLU A 55 8.649 -15.963 6.254 1.00 0.00 C ATOM 398 C GLU A 55 10.084 -15.764 5.767 1.00 0.00 C ATOM 399 O GLU A 55 11.035 -16.130 6.457 1.00 0.00 O ATOM 400 CB GLU A 55 8.238 -17.426 6.073 1.00 0.00 C ATOM 401 CG GLU A 55 7.331 -17.941 7.178 1.00 0.00 C ATOM 402 CD GLU A 55 7.991 -17.896 8.542 1.00 0.00 C ATOM 403 OE1 GLU A 55 9.233 -18.014 8.605 1.00 0.00 O ATOM 404 OE2 GLU A 55 7.266 -17.740 9.547 1.00 0.00 O ATOM 0 H GLU A 55 6.969 -15.580 5.058 1.00 0.00 H new ATOM 0 HA GLU A 55 8.615 -15.701 7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.730 -17.537 5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.134 -18.045 6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.418 -17.346 7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.038 -18.967 6.954 1.00 0.00 H new ATOM 411 N PHE A 56 10.237 -15.194 4.576 1.00 0.00 N ATOM 412 CA PHE A 56 11.562 -14.965 4.009 1.00 0.00 C ATOM 413 C PHE A 56 12.027 -13.530 4.256 1.00 0.00 C ATOM 414 O PHE A 56 13.066 -13.302 4.871 1.00 0.00 O ATOM 415 CB PHE A 56 11.548 -15.279 2.505 1.00 0.00 C ATOM 416 CG PHE A 56 12.526 -14.475 1.688 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.892 -14.674 1.818 1.00 0.00 C ATOM 418 CD2 PHE A 56 12.075 -13.522 0.790 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.788 -13.936 1.067 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.966 -12.781 0.037 1.00 0.00 C ATOM 421 CZ PHE A 56 14.324 -12.989 0.175 1.00 0.00 C ATOM 0 H PHE A 56 9.464 -14.883 3.987 1.00 0.00 H new ATOM 0 HA PHE A 56 12.269 -15.631 4.504 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.763 -16.338 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.543 -15.105 2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 56 14.260 -15.414 2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.014 -13.356 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.850 -14.100 1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.600 -12.040 -0.659 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.022 -12.412 -0.413 1.00 0.00 H new ATOM 431 N VAL A 57 11.257 -12.571 3.758 1.00 0.00 N ATOM 432 CA VAL A 57 11.593 -11.158 3.905 1.00 0.00 C ATOM 433 C VAL A 57 11.734 -10.737 5.369 1.00 0.00 C ATOM 434 O VAL A 57 12.276 -9.670 5.658 1.00 0.00 O ATOM 435 CB VAL A 57 10.534 -10.265 3.228 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.179 -10.446 3.890 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.959 -8.804 3.260 1.00 0.00 C ATOM 0 H VAL A 57 10.392 -12.746 3.247 1.00 0.00 H new ATOM 0 HA VAL A 57 12.558 -11.025 3.417 1.00 0.00 H new ATOM 0 HB VAL A 57 10.448 -10.570 2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.445 -9.807 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.869 -11.487 3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.249 -10.173 4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.197 -8.193 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.080 -8.483 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.905 -8.689 2.732 1.00 0.00 H new ATOM 447 N SER A 58 11.237 -11.558 6.291 1.00 0.00 N ATOM 448 CA SER A 58 11.311 -11.228 7.713 1.00 0.00 C ATOM 449 C SER A 58 12.168 -12.226 8.491 1.00 0.00 C ATOM 450 O SER A 58 12.878 -11.848 9.423 1.00 0.00 O ATOM 451 CB SER A 58 9.906 -11.179 8.314 1.00 0.00 C ATOM 452 OG SER A 58 9.842 -10.258 9.388 1.00 0.00 O ATOM 0 H SER A 58 10.783 -12.448 6.083 1.00 0.00 H new ATOM 0 HA SER A 58 11.784 -10.249 7.795 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.188 -10.895 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.622 -12.171 8.665 1.00 0.00 H new ATOM 0 HG SER A 58 8.932 -10.241 9.751 1.00 0.00 H new ATOM 458 N SER A 59 12.087 -13.500 8.123 1.00 0.00 N ATOM 459 CA SER A 59 12.845 -14.540 8.813 1.00 0.00 C ATOM 460 C SER A 59 14.128 -14.915 8.069 1.00 0.00 C ATOM 461 O SER A 59 14.961 -15.651 8.598 1.00 0.00 O ATOM 462 CB SER A 59 11.976 -15.785 9.003 1.00 0.00 C ATOM 463 OG SER A 59 12.121 -16.315 10.310 1.00 0.00 O ATOM 0 H SER A 59 11.507 -13.837 7.355 1.00 0.00 H new ATOM 0 HA SER A 59 13.134 -14.137 9.784 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.931 -15.533 8.823 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.253 -16.541 8.268 1.00 0.00 H new ATOM 0 HG SER A 59 11.554 -17.109 10.406 1.00 0.00 H new ATOM 469 N GLN A 60 14.285 -14.425 6.843 1.00 0.00 N ATOM 470 CA GLN A 60 15.471 -14.741 6.051 1.00 0.00 C ATOM 471 C GLN A 60 16.179 -13.479 5.564 1.00 0.00 C ATOM 472 O GLN A 60 17.303 -13.190 5.978 1.00 0.00 O ATOM 473 CB GLN A 60 15.084 -15.610 4.855 1.00 0.00 C ATOM 474 CG GLN A 60 14.861 -17.070 5.211 1.00 0.00 C ATOM 475 CD GLN A 60 16.121 -17.902 5.077 1.00 0.00 C ATOM 476 OE1 GLN A 60 16.997 -17.865 5.940 1.00 0.00 O ATOM 477 NE2 GLN A 60 16.217 -18.658 3.990 1.00 0.00 N ATOM 0 H GLN A 60 13.614 -13.813 6.379 1.00 0.00 H new ATOM 0 HA GLN A 60 16.162 -15.286 6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.174 -15.211 4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.868 -15.544 4.100 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.492 -17.138 6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.087 -17.483 4.565 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.466 -18.657 3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.042 -19.240 3.845 1.00 0.00 H new ATOM 486 N ALA A 61 15.520 -12.741 4.674 1.00 0.00 N ATOM 487 CA ALA A 61 16.081 -11.514 4.108 1.00 0.00 C ATOM 488 C ALA A 61 16.815 -10.678 5.158 1.00 0.00 C ATOM 489 O ALA A 61 16.471 -10.704 6.340 1.00 0.00 O ATOM 490 CB ALA A 61 14.982 -10.691 3.455 1.00 0.00 C ATOM 0 H ALA A 61 14.590 -12.973 4.326 1.00 0.00 H new ATOM 0 HA ALA A 61 16.814 -11.805 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.410 -9.780 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.517 -11.272 2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.231 -10.430 4.201 1.00 0.00 H new ATOM 496 N PRO A 62 17.843 -9.922 4.730 1.00 0.00 N ATOM 497 CA PRO A 62 18.633 -9.074 5.628 1.00 0.00 C ATOM 498 C PRO A 62 17.882 -7.818 6.056 1.00 0.00 C ATOM 499 O PRO A 62 16.919 -7.407 5.408 1.00 0.00 O ATOM 500 CB PRO A 62 19.849 -8.705 4.779 1.00 0.00 C ATOM 501 CG PRO A 62 19.352 -8.746 3.377 1.00 0.00 C ATOM 502 CD PRO A 62 18.315 -9.836 3.334 1.00 0.00 C ATOM 0 HA PRO A 62 18.880 -9.585 6.559 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.228 -7.716 5.037 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.667 -9.409 4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.922 -7.787 3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.165 -8.954 2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.502 -9.589 2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.740 -10.781 2.996 1.00 0.00 H new ATOM 510 N GLN A 63 18.329 -7.212 7.153 1.00 0.00 N ATOM 511 CA GLN A 63 17.702 -6.000 7.675 1.00 0.00 C ATOM 512 C GLN A 63 17.488 -4.969 6.569 1.00 0.00 C ATOM 513 O GLN A 63 16.520 -4.209 6.595 1.00 0.00 O ATOM 514 CB GLN A 63 18.559 -5.400 8.790 1.00 0.00 C ATOM 515 CG GLN A 63 17.948 -4.164 9.430 1.00 0.00 C ATOM 516 CD GLN A 63 17.707 -4.335 10.917 1.00 0.00 C ATOM 517 OE1 GLN A 63 18.353 -5.154 11.572 1.00 0.00 O ATOM 518 NE2 GLN A 63 16.774 -3.561 11.458 1.00 0.00 N ATOM 0 H GLN A 63 19.125 -7.541 7.699 1.00 0.00 H new ATOM 0 HA GLN A 63 16.727 -6.273 8.079 1.00 0.00 H new ATOM 0 HB2 GLN A 63 18.720 -6.155 9.559 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.538 -5.143 8.386 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.608 -3.312 9.269 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.004 -3.933 8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.263 -2.896 10.877 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.568 -3.631 12.455 1.00 0.00 H new ATOM 527 N SER A 64 18.396 -4.950 5.598 1.00 0.00 N ATOM 528 CA SER A 64 18.302 -4.014 4.482 1.00 0.00 C ATOM 529 C SER A 64 16.977 -4.182 3.746 1.00 0.00 C ATOM 530 O SER A 64 16.288 -3.206 3.450 1.00 0.00 O ATOM 531 CB SER A 64 19.468 -4.220 3.514 1.00 0.00 C ATOM 532 OG SER A 64 19.716 -5.599 3.299 1.00 0.00 O ATOM 0 H SER A 64 19.204 -5.571 5.561 1.00 0.00 H new ATOM 0 HA SER A 64 18.350 -3.002 4.883 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.246 -3.735 2.564 1.00 0.00 H new ATOM 0 HB3 SER A 64 20.364 -3.744 3.913 1.00 0.00 H new ATOM 0 HG SER A 64 20.465 -5.703 2.675 1.00 0.00 H new ATOM 538 N LEU A 65 16.626 -5.430 3.459 1.00 0.00 N ATOM 539 CA LEU A 65 15.382 -5.734 2.762 1.00 0.00 C ATOM 540 C LEU A 65 14.186 -5.582 3.698 1.00 0.00 C ATOM 541 O LEU A 65 13.075 -5.283 3.259 1.00 0.00 O ATOM 542 CB LEU A 65 15.427 -7.157 2.201 1.00 0.00 C ATOM 543 CG LEU A 65 14.655 -7.365 0.897 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.212 -6.914 1.054 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.327 -6.617 -0.244 1.00 0.00 C ATOM 0 H LEU A 65 17.186 -6.248 3.698 1.00 0.00 H new ATOM 0 HA LEU A 65 15.270 -5.028 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.468 -7.433 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.031 -7.840 2.953 1.00 0.00 H new ATOM 0 HG LEU A 65 14.658 -8.429 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.678 -7.069 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.734 -7.493 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.188 -5.856 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.765 -6.776 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.354 -5.552 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.344 -6.987 -0.372 1.00 0.00 H new ATOM 557 N ARG A 66 14.420 -5.800 4.988 1.00 0.00 N ATOM 558 CA ARG A 66 13.364 -5.699 5.988 1.00 0.00 C ATOM 559 C ARG A 66 12.973 -4.246 6.250 1.00 0.00 C ATOM 560 O ARG A 66 11.791 -3.902 6.226 1.00 0.00 O ATOM 561 CB ARG A 66 13.808 -6.360 7.294 1.00 0.00 C ATOM 562 CG ARG A 66 14.122 -7.840 7.149 1.00 0.00 C ATOM 563 CD ARG A 66 15.108 -8.306 8.208 1.00 0.00 C ATOM 564 NE ARG A 66 14.944 -9.723 8.524 1.00 0.00 N ATOM 565 CZ ARG A 66 15.872 -10.458 9.132 1.00 0.00 C ATOM 566 NH1 ARG A 66 17.029 -9.916 9.491 1.00 0.00 N ATOM 567 NH2 ARG A 66 15.643 -11.740 9.383 1.00 0.00 N ATOM 0 H ARG A 66 15.334 -6.048 5.366 1.00 0.00 H new ATOM 0 HA ARG A 66 12.489 -6.218 5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.692 -5.845 7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.024 -6.235 8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.201 -8.418 7.228 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.534 -8.030 6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.125 -8.128 7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.973 -7.715 9.114 1.00 0.00 H new ATOM 0 HE ARG A 66 14.068 -10.175 8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.211 -8.931 9.301 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.736 -10.485 9.957 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.756 -12.163 9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.354 -12.303 9.849 1.00 0.00 H new ATOM 581 N ASN A 67 13.962 -3.395 6.512 1.00 0.00 N ATOM 582 CA ASN A 67 13.691 -1.988 6.788 1.00 0.00 C ATOM 583 C ASN A 67 12.952 -1.328 5.626 1.00 0.00 C ATOM 584 O ASN A 67 12.108 -0.456 5.836 1.00 0.00 O ATOM 585 CB ASN A 67 14.986 -1.230 7.105 1.00 0.00 C ATOM 586 CG ASN A 67 15.991 -1.251 5.969 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.626 -1.254 4.795 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.273 -1.260 6.317 1.00 0.00 N ATOM 0 H ASN A 67 14.949 -3.652 6.539 1.00 0.00 H new ATOM 0 HA ASN A 67 13.046 -1.943 7.666 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.743 -0.195 7.346 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.444 -1.665 7.993 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.997 -1.270 5.598 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.534 -1.257 7.303 1.00 0.00 H new ATOM 595 N ARG A 68 13.259 -1.751 4.404 1.00 0.00 N ATOM 596 CA ARG A 68 12.606 -1.198 3.224 1.00 0.00 C ATOM 597 C ARG A 68 11.181 -1.729 3.103 1.00 0.00 C ATOM 598 O ARG A 68 10.291 -1.044 2.602 1.00 0.00 O ATOM 599 CB ARG A 68 13.405 -1.527 1.959 1.00 0.00 C ATOM 600 CG ARG A 68 13.383 -3.000 1.581 1.00 0.00 C ATOM 601 CD ARG A 68 13.878 -3.218 0.159 1.00 0.00 C ATOM 602 NE ARG A 68 12.979 -4.077 -0.607 1.00 0.00 N ATOM 603 CZ ARG A 68 13.262 -4.554 -1.817 1.00 0.00 C ATOM 604 NH1 ARG A 68 14.419 -4.261 -2.400 1.00 0.00 N ATOM 605 NH2 ARG A 68 12.388 -5.328 -2.446 1.00 0.00 N ATOM 0 H ARG A 68 13.953 -2.472 4.206 1.00 0.00 H new ATOM 0 HA ARG A 68 12.565 -0.114 3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.008 -0.943 1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.439 -1.214 2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.006 -3.564 2.275 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.368 -3.386 1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.975 -2.255 -0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.872 -3.665 0.185 1.00 0.00 H new ATOM 0 HE ARG A 68 12.082 -4.326 -0.190 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.096 -3.668 -1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.631 -4.629 -3.327 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.499 -5.558 -2.003 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.605 -5.693 -3.373 1.00 0.00 H new ATOM 619 N TYR A 69 10.977 -2.956 3.572 1.00 0.00 N ATOM 620 CA TYR A 69 9.664 -3.588 3.527 1.00 0.00 C ATOM 621 C TYR A 69 8.640 -2.762 4.301 1.00 0.00 C ATOM 622 O TYR A 69 7.527 -2.532 3.828 1.00 0.00 O ATOM 623 CB TYR A 69 9.745 -5.007 4.101 1.00 0.00 C ATOM 624 CG TYR A 69 8.401 -5.680 4.272 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.579 -5.367 5.347 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.958 -6.629 3.361 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.351 -5.981 5.508 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.732 -7.247 3.515 1.00 0.00 C ATOM 629 CZ TYR A 69 5.933 -6.920 4.590 1.00 0.00 C ATOM 630 OH TYR A 69 4.711 -7.534 4.748 1.00 0.00 O ATOM 0 H TYR A 69 11.707 -3.534 3.989 1.00 0.00 H new ATOM 0 HA TYR A 69 9.342 -3.644 2.487 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.365 -5.618 3.445 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.246 -4.968 5.068 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.904 -4.632 6.069 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.582 -6.888 2.518 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.723 -5.726 6.349 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.401 -7.983 2.797 1.00 0.00 H new ATOM 0 HH TYR A 69 4.094 -6.923 5.203 1.00 0.00 H new ATOM 640 N ASN A 70 9.026 -2.318 5.492 1.00 0.00 N ATOM 641 CA ASN A 70 8.144 -1.516 6.331 1.00 0.00 C ATOM 642 C ASN A 70 8.035 -0.090 5.799 1.00 0.00 C ATOM 643 O ASN A 70 7.015 0.575 5.983 1.00 0.00 O ATOM 644 CB ASN A 70 8.655 -1.497 7.772 1.00 0.00 C ATOM 645 CG ASN A 70 8.131 -2.665 8.585 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.185 -2.523 9.359 1.00 0.00 O ATOM 647 ND2 ASN A 70 8.746 -3.829 8.411 1.00 0.00 N ATOM 0 H ASN A 70 9.944 -2.500 5.898 1.00 0.00 H new ATOM 0 HA ASN A 70 7.153 -1.969 6.310 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.745 -1.520 7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.357 -0.563 8.248 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.438 -4.651 8.930 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.527 -3.901 7.758 1.00 0.00 H new ATOM 654 N ASN A 71 9.091 0.373 5.139 1.00 0.00 N ATOM 655 CA ASN A 71 9.113 1.720 4.581 1.00 0.00 C ATOM 656 C ASN A 71 7.982 1.910 3.575 1.00 0.00 C ATOM 657 O ASN A 71 7.120 2.772 3.749 1.00 0.00 O ATOM 658 CB ASN A 71 10.460 1.994 3.910 1.00 0.00 C ATOM 659 CG ASN A 71 10.972 3.393 4.193 1.00 0.00 C ATOM 660 OD1 ASN A 71 10.386 4.133 4.983 1.00 0.00 O ATOM 661 ND2 ASN A 71 12.071 3.763 3.546 1.00 0.00 N ATOM 0 H ASN A 71 9.943 -0.165 4.977 1.00 0.00 H new ATOM 0 HA ASN A 71 8.971 2.428 5.398 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.191 1.265 4.258 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.361 1.857 2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.462 4.693 3.695 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.524 3.117 2.900 1.00 0.00 H new ATOM 668 N LEU A 72 7.990 1.098 2.522 1.00 0.00 N ATOM 669 CA LEU A 72 6.964 1.176 1.489 1.00 0.00 C ATOM 670 C LEU A 72 5.573 1.000 2.091 1.00 0.00 C ATOM 671 O LEU A 72 4.620 1.665 1.683 1.00 0.00 O ATOM 672 CB LEU A 72 7.207 0.115 0.413 1.00 0.00 C ATOM 673 CG LEU A 72 7.124 -1.334 0.897 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.674 -1.793 0.971 1.00 0.00 C ATOM 675 CD2 LEU A 72 7.932 -2.247 -0.015 1.00 0.00 C ATOM 0 H LEU A 72 8.696 0.379 2.362 1.00 0.00 H new ATOM 0 HA LEU A 72 7.020 2.163 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.479 0.257 -0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.193 0.280 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 72 7.549 -1.387 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.637 -2.826 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.126 -1.157 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.220 -1.725 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.862 -3.274 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.538 -2.189 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.976 -1.932 -0.013 1.00 0.00 H new ATOM 687 N TYR A 73 5.464 0.105 3.067 1.00 0.00 N ATOM 688 CA TYR A 73 4.188 -0.149 3.722 1.00 0.00 C ATOM 689 C TYR A 73 3.810 1.011 4.636 1.00 0.00 C ATOM 690 O TYR A 73 2.629 1.291 4.841 1.00 0.00 O ATOM 691 CB TYR A 73 4.243 -1.451 4.524 1.00 0.00 C ATOM 692 CG TYR A 73 2.880 -1.954 4.948 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.792 -1.876 4.088 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.682 -2.503 6.209 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.545 -2.330 4.472 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.437 -2.960 6.600 1.00 0.00 C ATOM 697 CZ TYR A 73 0.373 -2.872 5.728 1.00 0.00 C ATOM 698 OH TYR A 73 -0.868 -3.325 6.114 1.00 0.00 O ATOM 0 H TYR A 73 6.241 -0.454 3.420 1.00 0.00 H new ATOM 0 HA TYR A 73 3.426 -0.246 2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.735 -2.217 3.925 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.857 -1.297 5.411 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.923 -1.453 3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.514 -2.574 6.894 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.291 -2.261 3.792 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.299 -3.384 7.584 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.818 -3.678 7.027 1.00 0.00 H new ATOM 708 N SER A 74 4.819 1.689 5.177 1.00 0.00 N ATOM 709 CA SER A 74 4.587 2.825 6.062 1.00 0.00 C ATOM 710 C SER A 74 3.690 3.852 5.383 1.00 0.00 C ATOM 711 O SER A 74 2.810 4.441 6.012 1.00 0.00 O ATOM 712 CB SER A 74 5.916 3.471 6.460 1.00 0.00 C ATOM 713 OG SER A 74 5.770 4.260 7.628 1.00 0.00 O ATOM 0 H SER A 74 5.803 1.471 5.018 1.00 0.00 H new ATOM 0 HA SER A 74 4.089 2.464 6.962 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.663 2.696 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.282 4.091 5.642 1.00 0.00 H new ATOM 0 HG SER A 74 6.633 4.660 7.862 1.00 0.00 H new ATOM 719 N HIS A 75 3.914 4.053 4.089 1.00 0.00 N ATOM 720 CA HIS A 75 3.122 4.998 3.314 1.00 0.00 C ATOM 721 C HIS A 75 1.776 4.388 2.935 1.00 0.00 C ATOM 722 O HIS A 75 0.794 5.102 2.729 1.00 0.00 O ATOM 723 CB HIS A 75 3.879 5.419 2.053 1.00 0.00 C ATOM 724 CG HIS A 75 5.057 6.301 2.331 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.360 5.911 2.105 1.00 0.00 N ATOM 726 CD2 HIS A 75 5.123 7.562 2.819 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.177 6.893 2.444 1.00 0.00 C ATOM 728 NE2 HIS A 75 6.451 7.906 2.879 1.00 0.00 N ATOM 0 H HIS A 75 4.639 3.573 3.555 1.00 0.00 H new ATOM 0 HA HIS A 75 2.944 5.879 3.930 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.219 4.526 1.528 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.194 5.941 1.385 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.287 8.182 3.107 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.255 6.870 2.377 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.817 8.800 3.207 1.00 0.00 H new ATOM 737 N THR A 76 1.737 3.060 2.845 1.00 0.00 N ATOM 738 CA THR A 76 0.512 2.352 2.493 1.00 0.00 C ATOM 739 C THR A 76 -0.505 2.415 3.629 1.00 0.00 C ATOM 740 O THR A 76 -1.713 2.450 3.393 1.00 0.00 O ATOM 741 CB THR A 76 0.821 0.892 2.158 1.00 0.00 C ATOM 742 OG1 THR A 76 1.757 0.808 1.098 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.403 0.100 1.755 1.00 0.00 C ATOM 0 H THR A 76 2.541 2.454 3.011 1.00 0.00 H new ATOM 0 HA THR A 76 0.083 2.840 1.618 1.00 0.00 H new ATOM 0 HB THR A 76 1.225 0.464 3.075 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.634 1.112 1.412 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.114 -0.927 1.531 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.124 0.104 2.572 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.854 0.551 0.871 1.00 0.00 H new ATOM 751 N GLN A 77 -0.010 2.423 4.860 1.00 0.00 N ATOM 752 CA GLN A 77 -0.875 2.474 6.033 1.00 0.00 C ATOM 753 C GLN A 77 -1.437 3.878 6.249 1.00 0.00 C ATOM 754 O GLN A 77 -2.570 4.038 6.703 1.00 0.00 O ATOM 755 CB GLN A 77 -0.107 2.027 7.278 1.00 0.00 C ATOM 756 CG GLN A 77 0.514 0.646 7.145 1.00 0.00 C ATOM 757 CD GLN A 77 1.621 0.406 8.153 1.00 0.00 C ATOM 758 OE1 GLN A 77 2.798 0.034 7.663 1.00 0.00 O flip ATOM 759 NE2 GLN A 77 1.420 0.552 9.359 1.00 0.00 N flip ATOM 0 H GLN A 77 0.987 2.395 5.073 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.710 1.795 5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.680 2.751 7.489 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.783 2.032 8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.260 -0.111 7.274 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.912 0.526 6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.499 0.839 9.692 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.174 0.386 10.025 1.00 0.00 H new ATOM 768 N ARG A 78 -0.639 4.892 5.930 1.00 0.00 N ATOM 769 CA ARG A 78 -1.063 6.278 6.101 1.00 0.00 C ATOM 770 C ARG A 78 -1.875 6.765 4.904 1.00 0.00 C ATOM 771 O ARG A 78 -2.753 7.616 5.046 1.00 0.00 O ATOM 772 CB ARG A 78 0.151 7.185 6.313 1.00 0.00 C ATOM 773 CG ARG A 78 1.072 7.266 5.106 1.00 0.00 C ATOM 774 CD ARG A 78 1.268 8.702 4.647 1.00 0.00 C ATOM 775 NE ARG A 78 2.526 9.265 5.132 1.00 0.00 N ATOM 776 CZ ARG A 78 2.789 10.570 5.169 1.00 0.00 C ATOM 777 NH1 ARG A 78 1.885 11.448 4.753 1.00 0.00 N ATOM 778 NH2 ARG A 78 3.958 10.997 5.626 1.00 0.00 N ATOM 0 H ARG A 78 0.302 4.781 5.553 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.701 6.322 6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.195 8.188 6.563 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.720 6.822 7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.039 6.828 5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.656 6.676 4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.250 8.740 3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.437 9.312 5.001 1.00 0.00 H new ATOM 0 HE ARG A 78 3.245 8.621 5.462 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.983 11.124 4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.092 12.446 4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.655 10.326 5.949 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.160 11.996 5.655 1.00 0.00 H new ATOM 792 N THR A 79 -1.579 6.227 3.725 1.00 0.00 N ATOM 793 CA THR A 79 -2.288 6.619 2.511 1.00 0.00 C ATOM 794 C THR A 79 -3.730 6.118 2.536 1.00 0.00 C ATOM 795 O THR A 79 -4.654 6.837 2.155 1.00 0.00 O ATOM 796 CB THR A 79 -1.566 6.084 1.272 1.00 0.00 C ATOM 797 OG1 THR A 79 -2.097 6.663 0.093 1.00 0.00 O ATOM 798 CG2 THR A 79 -1.656 4.581 1.124 1.00 0.00 C ATOM 0 H THR A 79 -0.856 5.521 3.584 1.00 0.00 H new ATOM 0 HA THR A 79 -2.303 7.708 2.467 1.00 0.00 H new ATOM 0 HB THR A 79 -0.520 6.356 1.411 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.040 6.412 0.001 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.123 4.271 0.225 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.208 4.102 1.995 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.702 4.285 1.045 1.00 0.00 H new ATOM 806 N LEU A 80 -3.914 4.880 2.985 1.00 0.00 N ATOM 807 CA LEU A 80 -5.244 4.282 3.058 1.00 0.00 C ATOM 808 C LEU A 80 -6.176 5.128 3.919 1.00 0.00 C ATOM 809 O LEU A 80 -7.320 5.386 3.544 1.00 0.00 O ATOM 810 CB LEU A 80 -5.158 2.863 3.621 1.00 0.00 C ATOM 811 CG LEU A 80 -4.501 1.837 2.696 1.00 0.00 C ATOM 812 CD1 LEU A 80 -4.073 0.607 3.482 1.00 0.00 C ATOM 813 CD2 LEU A 80 -5.450 1.455 1.572 1.00 0.00 C ATOM 0 H LEU A 80 -3.160 4.271 3.304 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.651 4.240 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.602 2.893 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.165 2.522 3.860 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.610 2.286 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.608 -0.112 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.358 0.898 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.946 0.153 3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.969 0.724 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.358 1.023 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.705 2.343 0.993 1.00 0.00 H new ATOM 825 N ASP A 81 -5.680 5.559 5.075 1.00 0.00 N ATOM 826 CA ASP A 81 -6.470 6.377 5.987 1.00 0.00 C ATOM 827 C ASP A 81 -6.907 7.673 5.310 1.00 0.00 C ATOM 828 O ASP A 81 -8.082 8.038 5.344 1.00 0.00 O ATOM 829 CB ASP A 81 -5.666 6.693 7.250 1.00 0.00 C ATOM 830 CG ASP A 81 -5.319 5.446 8.040 1.00 0.00 C ATOM 831 OD1 ASP A 81 -5.276 4.353 7.435 1.00 0.00 O ATOM 832 OD2 ASP A 81 -5.091 5.561 9.262 1.00 0.00 O ATOM 0 H ASP A 81 -4.735 5.355 5.401 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.360 5.813 6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.748 7.212 6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.238 7.373 7.881 1.00 0.00 H new ATOM 837 N MET A 82 -5.952 8.360 4.692 1.00 0.00 N ATOM 838 CA MET A 82 -6.230 9.614 4.001 1.00 0.00 C ATOM 839 C MET A 82 -7.304 9.427 2.933 1.00 0.00 C ATOM 840 O MET A 82 -7.991 10.377 2.558 1.00 0.00 O ATOM 841 CB MET A 82 -4.949 10.158 3.363 1.00 0.00 C ATOM 842 CG MET A 82 -4.184 11.119 4.258 1.00 0.00 C ATOM 843 SD MET A 82 -2.642 11.684 3.515 1.00 0.00 S ATOM 844 CE MET A 82 -1.948 10.133 2.949 1.00 0.00 C ATOM 0 H MET A 82 -4.975 8.068 4.656 1.00 0.00 H new ATOM 0 HA MET A 82 -6.600 10.330 4.735 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.300 9.322 3.103 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.204 10.666 2.433 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.813 11.981 4.480 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.967 10.630 5.208 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.881 10.258 2.763 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.096 9.368 3.712 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.444 9.827 2.028 1.00 0.00 H new ATOM 854 N ALA A 83 -7.444 8.198 2.446 1.00 0.00 N ATOM 855 CA ALA A 83 -8.434 7.892 1.422 1.00 0.00 C ATOM 856 C ALA A 83 -9.834 7.804 2.018 1.00 0.00 C ATOM 857 O ALA A 83 -10.792 8.331 1.454 1.00 0.00 O ATOM 858 CB ALA A 83 -8.079 6.594 0.715 1.00 0.00 C ATOM 0 H ALA A 83 -6.884 7.399 2.744 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.428 8.704 0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.828 6.378 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.100 6.691 0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.054 5.780 1.440 1.00 0.00 H new ATOM 864 N ASP A 84 -9.945 7.135 3.163 1.00 0.00 N ATOM 865 CA ASP A 84 -11.230 6.977 3.836 1.00 0.00 C ATOM 866 C ASP A 84 -11.524 8.166 4.748 1.00 0.00 C ATOM 867 O ASP A 84 -11.935 7.993 5.896 1.00 0.00 O ATOM 868 CB ASP A 84 -11.245 5.679 4.647 1.00 0.00 C ATOM 869 CG ASP A 84 -12.566 4.943 4.537 1.00 0.00 C ATOM 870 OD1 ASP A 84 -13.156 4.943 3.437 1.00 0.00 O ATOM 871 OD2 ASP A 84 -13.010 4.367 5.553 1.00 0.00 O ATOM 0 H ASP A 84 -9.161 6.694 3.643 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.007 6.932 3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.441 5.029 4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.045 5.906 5.694 1.00 0.00 H new ATOM 876 N MET A 85 -11.314 9.372 4.231 1.00 0.00 N ATOM 877 CA MET A 85 -11.560 10.587 4.998 1.00 0.00 C ATOM 878 C MET A 85 -12.405 11.576 4.200 1.00 0.00 C ATOM 879 O MET A 85 -13.366 12.147 4.714 1.00 0.00 O ATOM 880 CB MET A 85 -10.236 11.240 5.399 1.00 0.00 C ATOM 881 CG MET A 85 -9.320 10.322 6.195 1.00 0.00 C ATOM 882 SD MET A 85 -9.012 10.921 7.868 1.00 0.00 S ATOM 883 CE MET A 85 -7.436 11.743 7.648 1.00 0.00 C ATOM 0 H MET A 85 -10.974 9.534 3.283 1.00 0.00 H new ATOM 0 HA MET A 85 -12.110 10.311 5.898 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.715 11.568 4.499 1.00 0.00 H new ATOM 0 HB3 MET A 85 -10.445 12.132 5.990 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.765 9.328 6.246 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.370 10.220 5.670 1.00 0.00 H new ATOM 0 HE1 MET A 85 -7.111 12.167 8.598 1.00 0.00 H new ATOM 0 HE2 MET A 85 -6.696 11.023 7.300 1.00 0.00 H new ATOM 0 HE3 MET A 85 -7.541 12.540 6.912 1.00 0.00 H new ATOM 893 N GLN A 86 -12.030 11.776 2.940 1.00 0.00 N ATOM 894 CA GLN A 86 -12.740 12.701 2.059 1.00 0.00 C ATOM 895 C GLN A 86 -14.242 12.418 2.032 1.00 0.00 C ATOM 896 O GLN A 86 -15.042 13.308 1.742 1.00 0.00 O ATOM 897 CB GLN A 86 -12.173 12.619 0.641 1.00 0.00 C ATOM 898 CG GLN A 86 -12.595 13.775 -0.251 1.00 0.00 C ATOM 899 CD GLN A 86 -13.377 13.319 -1.468 1.00 0.00 C ATOM 900 OE1 GLN A 86 -12.856 13.299 -2.583 1.00 0.00 O ATOM 901 NE2 GLN A 86 -14.636 12.950 -1.260 1.00 0.00 N ATOM 0 H GLN A 86 -11.235 11.308 2.504 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.595 13.707 2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.085 12.591 0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.494 11.683 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.203 14.471 0.327 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.709 14.320 -0.577 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -15.028 12.982 -0.319 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -15.211 12.634 -2.041 1.00 0.00 H new ATOM 910 N HIS A 87 -14.621 11.178 2.330 1.00 0.00 N ATOM 911 CA HIS A 87 -16.029 10.789 2.332 1.00 0.00 C ATOM 912 C HIS A 87 -16.785 11.475 3.468 1.00 0.00 C ATOM 913 O HIS A 87 -17.173 10.836 4.445 1.00 0.00 O ATOM 914 CB HIS A 87 -16.167 9.270 2.456 1.00 0.00 C ATOM 915 CG HIS A 87 -15.208 8.507 1.596 1.00 0.00 C ATOM 916 ND1 HIS A 87 -14.003 8.023 2.060 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.283 8.139 0.295 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.378 7.393 1.082 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.133 7.449 0.001 1.00 0.00 N ATOM 0 H HIS A 87 -13.975 10.427 2.573 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.465 11.108 1.385 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -16.015 8.984 3.497 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.185 8.984 2.192 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.096 8.349 -0.385 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.413 6.913 1.154 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -13.900 7.045 -0.906 1.00 0.00 H new ATOM 1110 N LEU A 101 -4.915 17.057 -0.337 1.00 0.00 N ATOM 1111 CA LEU A 101 -5.579 17.004 -1.634 1.00 0.00 C ATOM 1112 C LEU A 101 -6.355 15.699 -1.789 1.00 0.00 C ATOM 1113 O LEU A 101 -6.002 14.684 -1.191 1.00 0.00 O ATOM 1114 CB LEU A 101 -4.557 17.145 -2.764 1.00 0.00 C ATOM 1115 CG LEU A 101 -3.559 18.293 -2.594 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -2.203 17.909 -3.166 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -4.082 19.557 -3.260 1.00 0.00 C ATOM 0 HA LEU A 101 -6.282 17.835 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.002 16.211 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.093 17.285 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.439 18.491 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.506 18.737 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.824 17.030 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.306 17.684 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.360 20.363 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.231 19.373 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.030 19.842 -2.805 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.430 15.709 -2.595 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.260 14.520 -2.820 1.00 0.00 C ATOM 1131 C PRO A 102 -7.551 13.448 -3.643 1.00 0.00 C ATOM 1132 O PRO A 102 -8.051 12.331 -3.781 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.463 15.070 -3.588 1.00 0.00 C ATOM 1134 CG PRO A 102 -8.948 16.287 -4.274 1.00 0.00 C ATOM 1135 CD PRO A 102 -7.924 16.879 -3.346 1.00 0.00 C ATOM 0 HA PRO A 102 -8.517 14.027 -1.883 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.842 14.342 -4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.285 15.313 -2.915 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.503 16.034 -5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.753 16.995 -4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.122 17.373 -3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.364 17.625 -2.684 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.389 13.788 -4.191 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.627 12.844 -5.001 1.00 0.00 C ATOM 1145 C HIS A 103 -4.372 12.360 -4.273 1.00 0.00 C ATOM 1146 O HIS A 103 -3.699 11.438 -4.733 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.248 13.482 -6.340 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.194 14.540 -6.229 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -2.860 14.490 -6.461 1.00 0.00 N flip ATOM 1150 CD2 HIS A 103 -4.463 15.834 -5.833 1.00 0.00 C flip ATOM 1151 CE1 HIS A 103 -2.355 15.740 -6.203 1.00 0.00 C flip ATOM 1152 NE2 HIS A 103 -3.341 16.533 -5.827 1.00 0.00 N flip ATOM 0 H HIS A 103 -5.956 14.706 -4.090 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.261 11.976 -5.183 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -4.897 12.703 -7.017 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.140 13.917 -6.790 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -2.330 13.675 -6.770 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.438 16.216 -5.569 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.318 16.028 -6.293 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.058 12.982 -3.137 1.00 0.00 N ATOM 1162 CA GLU A 104 -2.881 12.601 -2.360 1.00 0.00 C ATOM 1163 C GLU A 104 -2.904 11.112 -2.035 1.00 0.00 C ATOM 1164 O GLU A 104 -1.965 10.382 -2.348 1.00 0.00 O ATOM 1165 CB GLU A 104 -2.805 13.414 -1.065 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.234 14.809 -1.259 1.00 0.00 C ATOM 1167 CD GLU A 104 -0.733 14.857 -1.047 1.00 0.00 C ATOM 1168 OE1 GLU A 104 0.009 14.427 -1.955 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -0.299 15.324 0.028 1.00 0.00 O ATOM 0 H GLU A 104 -4.600 13.748 -2.737 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.998 12.813 -2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.804 13.495 -0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.191 12.876 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.467 15.157 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.718 15.496 -0.565 1.00 0.00 H new ATOM 1176 N ASN A 105 -3.988 10.670 -1.407 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.140 9.268 -1.041 1.00 0.00 C ATOM 1178 C ASN A 105 -4.065 8.377 -2.277 1.00 0.00 C ATOM 1179 O ASN A 105 -3.359 7.369 -2.287 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.473 9.052 -0.320 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.654 9.555 -1.128 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.248 8.812 -1.909 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -6.999 10.823 -0.942 1.00 0.00 N ATOM 0 H ASN A 105 -4.774 11.263 -1.141 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.325 8.998 -0.370 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.603 7.990 -0.113 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.450 9.564 0.642 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.786 11.218 -1.457 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.478 11.402 -0.284 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.795 8.762 -3.319 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.813 8.005 -4.565 1.00 0.00 C ATOM 1192 C VAL A 106 -3.411 7.864 -5.147 1.00 0.00 C ATOM 1193 O VAL A 106 -2.934 6.753 -5.380 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.724 8.674 -5.612 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -5.887 7.778 -6.830 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -7.077 9.012 -5.004 1.00 0.00 C ATOM 0 H VAL A 106 -5.383 9.596 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.204 7.016 -4.327 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.254 9.603 -5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -6.534 8.268 -7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.911 7.592 -7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.333 6.831 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.707 9.484 -5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.556 8.099 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.939 9.696 -4.167 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.755 8.996 -5.379 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.406 8.998 -5.935 1.00 0.00 C ATOM 1208 C ASP A 107 -0.445 8.222 -5.041 1.00 0.00 C ATOM 1209 O ASP A 107 0.363 7.428 -5.523 1.00 0.00 O ATOM 1210 CB ASP A 107 -0.909 10.433 -6.115 1.00 0.00 C ATOM 1211 CG ASP A 107 -0.057 10.597 -7.358 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -0.378 9.964 -8.386 1.00 0.00 O ATOM 1213 OD2 ASP A 107 0.932 11.358 -7.304 1.00 0.00 O ATOM 0 H ASP A 107 -3.135 9.924 -5.191 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.441 8.508 -6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.764 11.106 -6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.330 10.727 -5.239 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.539 8.454 -3.737 1.00 0.00 N ATOM 1219 CA ASP A 108 0.321 7.773 -2.776 1.00 0.00 C ATOM 1220 C ASP A 108 0.000 6.282 -2.718 1.00 0.00 C ATOM 1221 O ASP A 108 0.854 5.465 -2.372 1.00 0.00 O ATOM 1222 CB ASP A 108 0.162 8.394 -1.387 1.00 0.00 C ATOM 1223 CG ASP A 108 1.116 9.550 -1.157 1.00 0.00 C ATOM 1224 OD1 ASP A 108 1.419 10.272 -2.129 1.00 0.00 O ATOM 1225 OD2 ASP A 108 1.560 9.732 -0.004 1.00 0.00 O ATOM 0 H ASP A 108 -1.202 9.108 -3.321 1.00 0.00 H new ATOM 0 HA ASP A 108 1.354 7.892 -3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.863 8.743 -1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.332 7.630 -0.629 1.00 0.00 H new ATOM 1230 N MET A 109 -1.238 5.932 -3.057 1.00 0.00 N ATOM 1231 CA MET A 109 -1.667 4.539 -3.039 1.00 0.00 C ATOM 1232 C MET A 109 -0.958 3.737 -4.124 1.00 0.00 C ATOM 1233 O MET A 109 -0.239 2.781 -3.833 1.00 0.00 O ATOM 1234 CB MET A 109 -3.182 4.445 -3.224 1.00 0.00 C ATOM 1235 CG MET A 109 -3.898 3.843 -2.028 1.00 0.00 C ATOM 1236 SD MET A 109 -4.462 5.091 -0.858 1.00 0.00 S ATOM 1237 CE MET A 109 -6.220 4.765 -0.861 1.00 0.00 C ATOM 0 H MET A 109 -1.959 6.593 -3.347 1.00 0.00 H new ATOM 0 HA MET A 109 -1.402 4.117 -2.070 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.580 5.442 -3.413 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.396 3.843 -4.107 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.753 3.263 -2.375 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.228 3.150 -1.519 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.749 5.624 -1.274 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.426 3.885 -1.471 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.559 4.587 0.160 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.162 4.135 -5.376 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.538 3.453 -6.504 1.00 0.00 C ATOM 1249 C ARG A 110 0.964 3.301 -6.280 1.00 0.00 C ATOM 1250 O ARG A 110 1.589 2.372 -6.792 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.800 4.219 -7.802 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.352 5.671 -7.753 1.00 0.00 C ATOM 1253 CD ARG A 110 0.212 6.125 -9.089 1.00 0.00 C ATOM 1254 NE ARG A 110 -0.843 6.455 -10.044 1.00 0.00 N ATOM 1255 CZ ARG A 110 -0.629 6.678 -11.339 1.00 0.00 C ATOM 1256 NH1 ARG A 110 0.599 6.609 -11.838 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -1.645 6.973 -12.138 1.00 0.00 N ATOM 0 H ARG A 110 -1.753 4.925 -5.634 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.978 2.459 -6.586 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.286 3.716 -8.621 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.866 4.184 -8.026 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.196 6.304 -7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.404 5.794 -6.977 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.849 6.996 -8.937 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.843 5.338 -9.503 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.800 6.518 -9.698 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.385 6.384 -11.228 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.756 6.781 -12.831 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.591 7.029 -11.761 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.481 7.144 -13.130 1.00 0.00 H new ATOM 1271 N SER A 111 1.535 4.217 -5.502 1.00 0.00 N ATOM 1272 CA SER A 111 2.960 4.178 -5.200 1.00 0.00 C ATOM 1273 C SER A 111 3.289 2.962 -4.342 1.00 0.00 C ATOM 1274 O SER A 111 4.341 2.343 -4.499 1.00 0.00 O ATOM 1275 CB SER A 111 3.387 5.460 -4.482 1.00 0.00 C ATOM 1276 OG SER A 111 4.698 5.340 -3.957 1.00 0.00 O ATOM 0 H SER A 111 1.033 4.993 -5.071 1.00 0.00 H new ATOM 0 HA SER A 111 3.509 4.102 -6.138 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.346 6.300 -5.176 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.688 5.678 -3.675 1.00 0.00 H new ATOM 0 HG SER A 111 4.947 6.173 -3.505 1.00 0.00 H new ATOM 1282 N ALA A 112 2.377 2.623 -3.436 1.00 0.00 N ATOM 1283 CA ALA A 112 2.565 1.477 -2.556 1.00 0.00 C ATOM 1284 C ALA A 112 2.662 0.187 -3.360 1.00 0.00 C ATOM 1285 O ALA A 112 3.530 -0.649 -3.109 1.00 0.00 O ATOM 1286 CB ALA A 112 1.428 1.389 -1.549 1.00 0.00 C ATOM 0 H ALA A 112 1.501 3.126 -3.293 1.00 0.00 H new ATOM 0 HA ALA A 112 3.501 1.613 -2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.583 0.528 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.404 2.298 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.481 1.278 -2.078 1.00 0.00 H new ATOM 1292 N ILE A 113 1.767 0.032 -4.331 1.00 0.00 N ATOM 1293 CA ILE A 113 1.756 -1.157 -5.174 1.00 0.00 C ATOM 1294 C ILE A 113 3.045 -1.260 -5.985 1.00 0.00 C ATOM 1295 O ILE A 113 3.491 -2.355 -6.323 1.00 0.00 O ATOM 1296 CB ILE A 113 0.529 -1.169 -6.121 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.043 -2.584 -6.227 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.888 -0.634 -7.502 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.222 -2.828 -5.310 1.00 0.00 C ATOM 0 H ILE A 113 1.042 0.714 -4.553 1.00 0.00 H new ATOM 0 HA ILE A 113 1.685 -2.022 -4.515 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.230 -0.511 -5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.350 -2.767 -7.257 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.742 -3.303 -5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.006 -0.656 -8.141 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.246 0.392 -7.413 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.669 -1.254 -7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.577 -3.851 -5.438 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.915 -2.677 -4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.024 -2.132 -5.556 1.00 0.00 H new ATOM 1311 N THR A 114 3.642 -0.112 -6.291 1.00 0.00 N ATOM 1312 CA THR A 114 4.883 -0.079 -7.056 1.00 0.00 C ATOM 1313 C THR A 114 5.983 -0.827 -6.314 1.00 0.00 C ATOM 1314 O THR A 114 6.813 -1.501 -6.923 1.00 0.00 O ATOM 1315 CB THR A 114 5.313 1.366 -7.316 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.305 2.071 -8.018 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.592 1.476 -8.117 1.00 0.00 C ATOM 0 H THR A 114 3.287 0.805 -6.021 1.00 0.00 H new ATOM 0 HA THR A 114 4.710 -0.569 -8.014 1.00 0.00 H new ATOM 0 HB THR A 114 5.483 1.797 -6.330 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.507 2.148 -7.455 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.839 2.527 -8.265 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.402 0.985 -7.578 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.457 0.995 -9.086 1.00 0.00 H new ATOM 1325 N ASP A 115 5.977 -0.708 -4.990 1.00 0.00 N ATOM 1326 CA ASP A 115 6.966 -1.377 -4.156 1.00 0.00 C ATOM 1327 C ASP A 115 6.509 -2.791 -3.814 1.00 0.00 C ATOM 1328 O ASP A 115 7.297 -3.735 -3.849 1.00 0.00 O ATOM 1329 CB ASP A 115 7.208 -0.579 -2.872 1.00 0.00 C ATOM 1330 CG ASP A 115 8.678 -0.500 -2.510 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.393 -1.506 -2.707 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.114 0.567 -2.029 1.00 0.00 O ATOM 0 H ASP A 115 5.296 -0.153 -4.472 1.00 0.00 H new ATOM 0 HA ASP A 115 7.900 -1.438 -4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.812 0.429 -2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.659 -1.041 -2.051 1.00 0.00 H new ATOM 1337 N TRP A 116 5.226 -2.929 -3.491 1.00 0.00 N ATOM 1338 CA TRP A 116 4.660 -4.229 -3.149 1.00 0.00 C ATOM 1339 C TRP A 116 4.690 -5.158 -4.357 1.00 0.00 C ATOM 1340 O TRP A 116 5.151 -6.296 -4.267 1.00 0.00 O ATOM 1341 CB TRP A 116 3.225 -4.069 -2.645 1.00 0.00 C ATOM 1342 CG TRP A 116 3.144 -3.743 -1.185 1.00 0.00 C ATOM 1343 CD1 TRP A 116 2.977 -2.508 -0.628 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.229 -4.668 -0.094 1.00 0.00 C ATOM 1345 NE1 TRP A 116 2.955 -2.607 0.742 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.107 -3.923 1.094 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.396 -6.053 -0.007 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.147 -4.517 2.353 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.435 -6.641 1.243 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.310 -5.874 2.408 1.00 0.00 C ATOM 0 H TRP A 116 4.560 -2.157 -3.459 1.00 0.00 H new ATOM 0 HA TRP A 116 5.264 -4.669 -2.355 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.733 -3.281 -3.214 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.675 -4.991 -2.836 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.877 -1.587 -1.183 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.844 -1.828 1.391 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.493 -6.653 -0.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.053 -3.928 3.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.564 -7.710 1.323 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.343 -6.364 3.370 1.00 0.00 H new ATOM 1361 N SER A 117 4.204 -4.661 -5.490 1.00 0.00 N ATOM 1362 CA SER A 117 4.184 -5.441 -6.722 1.00 0.00 C ATOM 1363 C SER A 117 5.598 -5.867 -7.101 1.00 0.00 C ATOM 1364 O SER A 117 5.862 -7.046 -7.344 1.00 0.00 O ATOM 1365 CB SER A 117 3.561 -4.627 -7.857 1.00 0.00 C ATOM 1366 OG SER A 117 3.182 -5.464 -8.936 1.00 0.00 O ATOM 0 H SER A 117 3.819 -3.721 -5.580 1.00 0.00 H new ATOM 0 HA SER A 117 3.580 -6.333 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.689 -4.089 -7.486 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.273 -3.879 -8.206 1.00 0.00 H new ATOM 0 HG SER A 117 2.785 -4.920 -9.648 1.00 0.00 H new ATOM 1372 N ASP A 118 6.507 -4.898 -7.137 1.00 0.00 N ATOM 1373 CA ASP A 118 7.899 -5.167 -7.473 1.00 0.00 C ATOM 1374 C ASP A 118 8.493 -6.176 -6.499 1.00 0.00 C ATOM 1375 O ASP A 118 9.345 -6.985 -6.866 1.00 0.00 O ATOM 1376 CB ASP A 118 8.714 -3.873 -7.445 1.00 0.00 C ATOM 1377 CG ASP A 118 10.150 -4.086 -7.881 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.915 -4.712 -7.118 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.509 -3.627 -8.986 1.00 0.00 O ATOM 0 H ASP A 118 6.303 -3.919 -6.937 1.00 0.00 H new ATOM 0 HA ASP A 118 7.936 -5.584 -8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.244 -3.137 -8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.701 -3.460 -6.436 1.00 0.00 H new ATOM 1384 N MET A 119 8.031 -6.122 -5.254 1.00 0.00 N ATOM 1385 CA MET A 119 8.506 -7.032 -4.222 1.00 0.00 C ATOM 1386 C MET A 119 8.067 -8.460 -4.522 1.00 0.00 C ATOM 1387 O MET A 119 8.840 -9.402 -4.367 1.00 0.00 O ATOM 1388 CB MET A 119 7.982 -6.602 -2.851 1.00 0.00 C ATOM 1389 CG MET A 119 8.717 -7.247 -1.688 1.00 0.00 C ATOM 1390 SD MET A 119 8.344 -6.460 -0.110 1.00 0.00 S ATOM 1391 CE MET A 119 9.994 -6.098 0.487 1.00 0.00 C ATOM 0 H MET A 119 7.327 -5.456 -4.936 1.00 0.00 H new ATOM 0 HA MET A 119 9.595 -6.997 -4.211 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.062 -5.518 -2.764 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.923 -6.850 -2.782 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.451 -8.303 -1.635 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.791 -7.198 -1.869 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.945 -5.307 1.235 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.424 -6.994 0.934 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.619 -5.772 -0.345 1.00 0.00 H new ATOM 1401 N ARG A 120 6.821 -8.612 -4.960 1.00 0.00 N ATOM 1402 CA ARG A 120 6.282 -9.928 -5.287 1.00 0.00 C ATOM 1403 C ARG A 120 7.226 -10.687 -6.215 1.00 0.00 C ATOM 1404 O ARG A 120 7.442 -11.888 -6.053 1.00 0.00 O ATOM 1405 CB ARG A 120 4.906 -9.789 -5.941 1.00 0.00 C ATOM 1406 CG ARG A 120 3.960 -10.934 -5.619 1.00 0.00 C ATOM 1407 CD ARG A 120 2.686 -10.852 -6.445 1.00 0.00 C ATOM 1408 NE ARG A 120 1.967 -12.124 -6.468 1.00 0.00 N ATOM 1409 CZ ARG A 120 1.041 -12.435 -7.373 1.00 0.00 C ATOM 1410 NH1 ARG A 120 0.721 -11.573 -8.329 1.00 0.00 N ATOM 1411 NH2 ARG A 120 0.435 -13.614 -7.321 1.00 0.00 N ATOM 0 H ARG A 120 6.166 -7.842 -5.097 1.00 0.00 H new ATOM 0 HA ARG A 120 6.181 -10.493 -4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.452 -8.852 -5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.032 -9.726 -7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.459 -11.884 -5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.709 -10.913 -4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.038 -10.076 -6.037 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.933 -10.556 -7.465 1.00 0.00 H new ATOM 0 HE ARG A 120 2.187 -12.813 -5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 120 1.185 -10.666 -8.374 1.00 0.00 H new ATOM 0 HH12 ARG A 120 0.011 -11.817 -9.019 1.00 0.00 H new ATOM 0 HH21 ARG A 120 0.679 -14.281 -6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.275 -13.854 -8.013 1.00 0.00 H new ATOM 1425 N GLU A 121 7.787 -9.973 -7.186 1.00 0.00 N ATOM 1426 CA GLU A 121 8.712 -10.575 -8.141 1.00 0.00 C ATOM 1427 C GLU A 121 10.120 -10.662 -7.559 1.00 0.00 C ATOM 1428 O GLU A 121 10.843 -11.629 -7.798 1.00 0.00 O ATOM 1429 CB GLU A 121 8.736 -9.767 -9.439 1.00 0.00 C ATOM 1430 CG GLU A 121 7.611 -10.122 -10.398 1.00 0.00 C ATOM 1431 CD GLU A 121 8.094 -10.303 -11.823 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.862 -11.255 -12.074 1.00 0.00 O ATOM 1433 OE2 GLU A 121 7.705 -9.492 -12.690 1.00 0.00 O ATOM 0 H GLU A 121 7.618 -8.978 -7.332 1.00 0.00 H new ATOM 0 HA GLU A 121 8.364 -11.586 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.675 -8.706 -9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.692 -9.926 -9.938 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.129 -11.040 -10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.855 -9.337 -10.372 1.00 0.00 H new ATOM 1440 N ALA A 122 10.504 -9.643 -6.795 1.00 0.00 N ATOM 1441 CA ALA A 122 11.827 -9.604 -6.181 1.00 0.00 C ATOM 1442 C ALA A 122 11.951 -10.641 -5.070 1.00 0.00 C ATOM 1443 O ALA A 122 12.813 -11.518 -5.120 1.00 0.00 O ATOM 1444 CB ALA A 122 12.115 -8.212 -5.640 1.00 0.00 C ATOM 0 H ALA A 122 9.918 -8.834 -6.587 1.00 0.00 H new ATOM 0 HA ALA A 122 12.563 -9.845 -6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 122 13.105 -8.196 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 122 12.079 -7.490 -6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.367 -7.951 -4.891 1.00 0.00 H new ATOM 1450 N LEU A 123 11.084 -10.534 -4.067 1.00 0.00 N ATOM 1451 CA LEU A 123 11.092 -11.461 -2.940 1.00 0.00 C ATOM 1452 C LEU A 123 11.057 -12.909 -3.422 1.00 0.00 C ATOM 1453 O LEU A 123 11.808 -13.754 -2.935 1.00 0.00 O ATOM 1454 CB LEU A 123 9.899 -11.184 -2.018 1.00 0.00 C ATOM 1455 CG LEU A 123 10.261 -10.749 -0.596 1.00 0.00 C ATOM 1456 CD1 LEU A 123 11.221 -9.570 -0.625 1.00 0.00 C ATOM 1457 CD2 LEU A 123 9.004 -10.398 0.189 1.00 0.00 C ATOM 0 H LEU A 123 10.365 -9.812 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 123 12.016 -11.309 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.282 -10.409 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.288 -12.085 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 123 10.758 -11.581 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.466 -9.275 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 123 12.133 -9.856 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.753 -8.732 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.279 -10.091 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.480 -9.582 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.352 -11.270 0.240 1.00 0.00 H new ATOM 1469 N GLN A 124 10.181 -13.187 -4.383 1.00 0.00 N ATOM 1470 CA GLN A 124 10.050 -14.531 -4.932 1.00 0.00 C ATOM 1471 C GLN A 124 11.363 -14.993 -5.558 1.00 0.00 C ATOM 1472 O GLN A 124 11.778 -16.137 -5.379 1.00 0.00 O ATOM 1473 CB GLN A 124 8.932 -14.572 -5.974 1.00 0.00 C ATOM 1474 CG GLN A 124 7.563 -14.867 -5.384 1.00 0.00 C ATOM 1475 CD GLN A 124 6.445 -14.700 -6.394 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.403 -14.116 -6.095 1.00 0.00 O ATOM 1477 NE2 GLN A 124 6.655 -15.215 -7.600 1.00 0.00 N ATOM 0 H GLN A 124 9.552 -12.499 -4.797 1.00 0.00 H new ATOM 0 HA GLN A 124 9.800 -15.208 -4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.896 -13.615 -6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 124 9.169 -15.331 -6.719 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.550 -15.886 -4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.385 -14.203 -4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.533 -15.691 -7.805 1.00 0.00 H new ATOM 0 HE22 GLN A 124 5.938 -15.134 -8.321 1.00 0.00 H new ATOM 1486 N HIS A 125 12.012 -14.095 -6.292 1.00 0.00 N ATOM 1487 CA HIS A 125 13.279 -14.412 -6.943 1.00 0.00 C ATOM 1488 C HIS A 125 14.381 -14.623 -5.910 1.00 0.00 C ATOM 1489 O HIS A 125 15.138 -15.591 -5.982 1.00 0.00 O ATOM 1490 CB HIS A 125 13.676 -13.292 -7.907 1.00 0.00 C ATOM 1491 CG HIS A 125 14.933 -13.576 -8.669 1.00 0.00 C ATOM 1492 ND1 HIS A 125 16.215 -13.699 -8.250 1.00 0.00 N flip ATOM 1493 CD2 HIS A 125 14.958 -13.770 -10.034 1.00 0.00 C flip ATOM 1494 CE1 HIS A 125 16.981 -13.962 -9.359 1.00 0.00 C flip ATOM 1495 NE2 HIS A 125 16.200 -14.001 -10.422 1.00 0.00 N flip ATOM 0 H HIS A 125 11.682 -13.143 -6.451 1.00 0.00 H new ATOM 0 HA HIS A 125 13.149 -15.337 -7.506 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.862 -13.126 -8.613 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.803 -12.367 -7.344 1.00 0.00 H new ATOM 0 HD2 HIS A 125 14.097 -13.738 -10.685 1.00 0.00 H new ATOM 0 HE1 HIS A 125 18.050 -14.113 -9.361 1.00 0.00 H new ATOM 0 HE2 HIS A 125 16.503 -14.179 -11.380 1.00 0.00 H new ATOM 1504 N ALA A 126 14.465 -13.709 -4.948 1.00 0.00 N ATOM 1505 CA ALA A 126 15.474 -13.794 -3.900 1.00 0.00 C ATOM 1506 C ALA A 126 15.287 -15.053 -3.060 1.00 0.00 C ATOM 1507 O ALA A 126 16.256 -15.731 -2.717 1.00 0.00 O ATOM 1508 CB ALA A 126 15.421 -12.556 -3.017 1.00 0.00 C ATOM 0 H ALA A 126 13.846 -12.902 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 126 16.454 -13.847 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 126 16.180 -12.632 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.610 -11.669 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.436 -12.479 -2.557 1.00 0.00 H new ATOM 1514 N MET A 127 14.036 -15.362 -2.734 1.00 0.00 N ATOM 1515 CA MET A 127 13.722 -16.541 -1.934 1.00 0.00 C ATOM 1516 C MET A 127 14.250 -17.809 -2.599 1.00 0.00 C ATOM 1517 O MET A 127 14.597 -18.778 -1.923 1.00 0.00 O ATOM 1518 CB MET A 127 12.210 -16.654 -1.722 1.00 0.00 C ATOM 1519 CG MET A 127 11.828 -17.271 -0.387 1.00 0.00 C ATOM 1520 SD MET A 127 10.130 -17.878 -0.362 1.00 0.00 S ATOM 1521 CE MET A 127 9.246 -16.442 -0.967 1.00 0.00 C ATOM 0 H MET A 127 13.223 -14.812 -3.011 1.00 0.00 H new ATOM 0 HA MET A 127 14.210 -16.430 -0.966 1.00 0.00 H new ATOM 0 HB2 MET A 127 11.766 -15.661 -1.794 1.00 0.00 H new ATOM 0 HB3 MET A 127 11.783 -17.254 -2.526 1.00 0.00 H new ATOM 0 HG2 MET A 127 12.507 -18.094 -0.164 1.00 0.00 H new ATOM 0 HG3 MET A 127 11.956 -16.529 0.401 1.00 0.00 H new ATOM 0 HE1 MET A 127 8.184 -16.549 -0.746 1.00 0.00 H new ATOM 0 HE2 MET A 127 9.630 -15.546 -0.479 1.00 0.00 H new ATOM 0 HE3 MET A 127 9.385 -16.356 -2.045 1.00 0.00 H new ATOM 1531 N GLY A 128 14.309 -17.797 -3.927 1.00 0.00 N ATOM 1532 CA GLY A 128 14.798 -18.952 -4.657 1.00 0.00 C ATOM 1533 C GLY A 128 13.864 -19.377 -5.773 1.00 0.00 C ATOM 1534 O GLY A 128 13.621 -20.568 -5.968 1.00 0.00 O ATOM 0 H GLY A 128 14.027 -17.009 -4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 128 15.778 -18.724 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 128 14.933 -19.783 -3.965 1.00 0.00 H new ATOM 1538 N ILE A 129 13.341 -18.402 -6.510 1.00 0.00 N ATOM 1539 CA ILE A 129 12.432 -18.685 -7.614 1.00 0.00 C ATOM 1540 C ILE A 129 12.901 -18.012 -8.899 1.00 0.00 C ATOM 1541 O ILE A 129 13.657 -17.041 -8.863 1.00 0.00 O ATOM 1542 CB ILE A 129 10.998 -18.219 -7.298 1.00 0.00 C ATOM 1543 CG1 ILE A 129 10.567 -18.720 -5.918 1.00 0.00 C ATOM 1544 CG2 ILE A 129 10.034 -18.707 -8.369 1.00 0.00 C ATOM 1545 CD1 ILE A 129 9.349 -18.008 -5.369 1.00 0.00 C ATOM 0 H ILE A 129 13.531 -17.411 -6.363 1.00 0.00 H new ATOM 0 HA ILE A 129 12.432 -19.766 -7.752 1.00 0.00 H new ATOM 0 HB ILE A 129 10.980 -17.129 -7.290 1.00 0.00 H new ATOM 0 HG12 ILE A 129 10.357 -19.788 -5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 129 11.395 -18.596 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 129 9.025 -18.370 -8.131 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.332 -18.305 -9.337 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.053 -19.796 -8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 129 9.101 -18.415 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 129 9.561 -16.943 -5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.507 -18.153 -6.046 1.00 0.00 H new