USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 833 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 53 ASN : amide:sc= -3.25! C(o=-4.5!,f=-7.6!) USER MOD Set 1.2: A 119 GLN :FLIP amide:sc= -1.22 F(o=-6.3!,f=-4.5) USER MOD Set 2.1: A 95 ASN :FLIP amide:sc= -2.72! C(o=-9.5!,f=-6.1!) USER MOD Set 2.2: A 99 ASN : amide:sc= -3.35! C(o=-6.1!,f=-7.3!) USER MOD Set 3.1: A 83 GLN :FLIP amide:sc= -0.667 F(o=-29!,f=-18) USER MOD Set 3.2: A 86 ASN :FLIP amide:sc= -17.2! C(o=-18!,f=-18!) USER MOD Set 4.1: A 68 LYS NZ :NH3+ -127:sc= -1.94 (180deg=-1.6) USER MOD Set 4.2: A 105 GLN :FLIP amide:sc= -5.31! C(o=-18!,f=-7.2!) USER MOD Single : A 31 SER OG : rot 57:sc= -0.533 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -147:sc= 1.49 USER MOD Single : A 43 THR OG1 : rot 49:sc= -0.53! USER MOD Single : A 47 CYS SG : rot -20:sc= 0.003 USER MOD Single : A 51 SER OG : rot -53:sc= 0.00382 USER MOD Single : A 54 SER OG : rot 83:sc= 0.324 USER MOD Single : A 56 GLN :FLIP amide:sc= -1.66 F(o=-6.8!,f=-1.7) USER MOD Single : A 57 MET CE :methyl 157:sc= -0.203 (180deg=-0.845) USER MOD Single : A 59 SER OG : rot -60:sc= -0.533 USER MOD Single : A 60 HIS : no HE2:sc= -0.996 K(o=-1,f=-3.6!) USER MOD Single : A 61 SER OG : rot -22:sc= 0.328 USER MOD Single : A 69 ASN : amide:sc= 0.619 K(o=0.62,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 18:sc= 0.667 USER MOD Single : A 74 CYS SG : rot 180:sc= -2.14 USER MOD Single : A 76 SER OG : rot -29:sc= 0.225 USER MOD Single : A 77 TYR OH : rot 51:sc= -0.0182 USER MOD Single : A 80 SER OG : rot -25:sc= 0.712 USER MOD Single : A 82 GLN :FLIP amide:sc= -2.62! C(o=-6.6!,f=-2.6!) USER MOD Single : A 84 MET CE :methyl -151:sc= -0.248 (180deg=-0.968) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN :FLIP amide:sc= -5.56! C(o=-8.7!,f=-5.6!) USER MOD Single : A 107 CYS SG : rot 180:sc= -2.39! USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 21:sc= 0.599 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 166:sc= -0.0231 (180deg=-0.172) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 75:sc= 0.872 USER MOD Single : A 129 LYS NZ :NH3+ -157:sc= -0.149 (180deg=-0.645) USER MOD Single : A 132 SER OG : rot -74:sc= 0.0141 USER MOD Single : A 136 GLN :FLIP amide:sc= -0.906 F(o=-3!,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 31 9.301 -6.713 3.529 1.00 3.88 N ATOM 2 CA SER A 31 8.564 -7.217 4.682 1.00 3.46 C ATOM 3 C SER A 31 7.796 -8.487 4.328 1.00 2.69 C ATOM 4 O SER A 31 6.629 -8.428 3.935 1.00 2.52 O ATOM 5 CB SER A 31 7.599 -6.150 5.199 1.00 4.00 C ATOM 6 OG SER A 31 6.762 -5.678 4.160 1.00 4.47 O ATOM 0 HA SER A 31 9.283 -7.458 5.465 1.00 3.46 H new ATOM 0 HB2 SER A 31 6.990 -6.564 6.002 1.00 4.00 H new ATOM 0 HB3 SER A 31 8.163 -5.319 5.623 1.00 4.00 H new ATOM 0 HG SER A 31 6.276 -6.431 3.764 1.00 4.47 H new ATOM 12 N GLY A 32 8.455 -9.633 4.476 1.00 2.50 N ATOM 13 CA GLY A 32 7.820 -10.900 4.162 1.00 1.92 C ATOM 14 C GLY A 32 7.265 -10.926 2.753 1.00 1.35 C ATOM 15 O GLY A 32 6.126 -11.339 2.535 1.00 2.24 O ATOM 0 H GLY A 32 9.417 -9.706 4.808 1.00 2.50 H new ATOM 0 HA2 GLY A 32 8.543 -11.707 4.281 1.00 1.92 H new ATOM 0 HA3 GLY A 32 7.014 -11.087 4.872 1.00 1.92 H new ATOM 19 N ALA A 33 8.082 -10.489 1.797 1.00 0.62 N ATOM 20 CA ALA A 33 7.688 -10.437 0.398 1.00 1.21 C ATOM 21 C ALA A 33 6.300 -9.833 0.220 1.00 1.16 C ATOM 22 O ALA A 33 5.598 -10.135 -0.746 1.00 1.95 O ATOM 23 CB ALA A 33 7.765 -11.824 -0.205 1.00 2.01 C ATOM 0 H ALA A 33 9.032 -10.163 1.973 1.00 0.62 H new ATOM 0 HA ALA A 33 8.382 -9.782 -0.129 1.00 1.21 H new ATOM 0 HB1 ALA A 33 7.469 -11.782 -1.253 1.00 2.01 H new ATOM 0 HB2 ALA A 33 8.787 -12.197 -0.131 1.00 2.01 H new ATOM 0 HB3 ALA A 33 7.095 -12.493 0.335 1.00 2.01 H new ATOM 29 N ILE A 34 5.917 -8.981 1.166 1.00 0.39 N ATOM 30 CA ILE A 34 4.631 -8.303 1.127 1.00 0.25 C ATOM 31 C ILE A 34 3.463 -9.276 1.237 1.00 0.24 C ATOM 32 O ILE A 34 3.166 -10.025 0.307 1.00 0.25 O ATOM 33 CB ILE A 34 4.471 -7.464 -0.158 1.00 0.25 C ATOM 34 CG1 ILE A 34 5.516 -6.350 -0.205 1.00 0.29 C ATOM 35 CG2 ILE A 34 3.067 -6.884 -0.252 1.00 0.32 C ATOM 36 CD1 ILE A 34 5.397 -5.372 0.938 1.00 0.35 C ATOM 0 H ILE A 34 6.488 -8.744 1.977 1.00 0.39 H new ATOM 0 HA ILE A 34 4.614 -7.641 1.993 1.00 0.25 H new ATOM 0 HB ILE A 34 4.627 -8.119 -1.015 1.00 0.25 H new ATOM 0 HG12 ILE A 34 6.511 -6.794 -0.192 1.00 0.29 H new ATOM 0 HG13 ILE A 34 5.420 -5.811 -1.147 1.00 0.29 H new ATOM 0 HG21 ILE A 34 2.977 -6.296 -1.165 1.00 0.32 H new ATOM 0 HG22 ILE A 34 2.339 -7.695 -0.269 1.00 0.32 H new ATOM 0 HG23 ILE A 34 2.879 -6.245 0.611 1.00 0.32 H new ATOM 0 HD11 ILE A 34 6.168 -4.607 0.844 1.00 0.35 H new ATOM 0 HD12 ILE A 34 4.414 -4.901 0.913 1.00 0.35 H new ATOM 0 HD13 ILE A 34 5.523 -5.900 1.883 1.00 0.35 H new ATOM 48 N THR A 35 2.810 -9.247 2.388 1.00 0.25 N ATOM 49 CA THR A 35 1.649 -10.082 2.643 1.00 0.26 C ATOM 50 C THR A 35 0.470 -9.194 3.022 1.00 0.23 C ATOM 51 O THR A 35 0.471 -8.000 2.722 1.00 0.31 O ATOM 52 CB THR A 35 1.913 -11.093 3.776 1.00 0.33 C ATOM 53 OG1 THR A 35 2.216 -10.399 4.993 1.00 0.36 O ATOM 54 CG2 THR A 35 3.065 -12.020 3.416 1.00 0.35 C ATOM 0 H THR A 35 3.070 -8.645 3.169 1.00 0.25 H new ATOM 0 HA THR A 35 1.428 -10.645 1.736 1.00 0.26 H new ATOM 0 HB THR A 35 1.013 -11.692 3.914 1.00 0.33 H new ATOM 0 HG1 THR A 35 2.381 -11.049 5.708 1.00 0.36 H new ATOM 0 HG21 THR A 35 3.233 -12.725 4.230 1.00 0.35 H new ATOM 0 HG22 THR A 35 2.820 -12.568 2.506 1.00 0.35 H new ATOM 0 HG23 THR A 35 3.968 -11.432 3.253 1.00 0.35 H new ATOM 62 N LYS A 36 -0.541 -9.756 3.662 1.00 0.18 N ATOM 63 CA LYS A 36 -1.679 -8.953 4.079 1.00 0.15 C ATOM 64 C LYS A 36 -1.293 -8.121 5.293 1.00 0.12 C ATOM 65 O LYS A 36 -1.806 -7.024 5.500 1.00 0.14 O ATOM 66 CB LYS A 36 -2.889 -9.839 4.374 1.00 0.20 C ATOM 67 CG LYS A 36 -3.787 -9.332 5.497 1.00 0.27 C ATOM 68 CD LYS A 36 -3.348 -9.863 6.856 1.00 0.61 C ATOM 69 CE LYS A 36 -3.568 -11.364 6.969 1.00 0.57 C ATOM 70 NZ LYS A 36 -3.118 -11.894 8.286 1.00 0.99 N ATOM 0 H LYS A 36 -0.599 -10.746 3.901 1.00 0.18 H new ATOM 0 HA LYS A 36 -1.961 -8.280 3.269 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -3.484 -9.934 3.465 1.00 0.20 H new ATOM 0 HB3 LYS A 36 -2.537 -10.838 4.631 1.00 0.20 H new ATOM 0 HG2 LYS A 36 -3.772 -8.242 5.510 1.00 0.27 H new ATOM 0 HG3 LYS A 36 -4.816 -9.634 5.304 1.00 0.27 H new ATOM 0 HD2 LYS A 36 -2.293 -9.637 7.012 1.00 0.61 H new ATOM 0 HD3 LYS A 36 -3.903 -9.353 7.643 1.00 0.61 H new ATOM 0 HE2 LYS A 36 -4.626 -11.587 6.830 1.00 0.57 H new ATOM 0 HE3 LYS A 36 -3.028 -11.871 6.170 1.00 0.57 H new ATOM 0 HZ1 LYS A 36 -3.285 -12.920 8.323 1.00 0.99 H new ATOM 0 HZ2 LYS A 36 -2.103 -11.704 8.408 1.00 0.99 H new ATOM 0 HZ3 LYS A 36 -3.651 -11.429 9.048 1.00 0.99 H new ATOM 84 N GLY A 37 -0.383 -8.665 6.090 1.00 0.13 N ATOM 85 CA GLY A 37 0.093 -7.967 7.270 1.00 0.14 C ATOM 86 C GLY A 37 0.714 -6.628 6.921 1.00 0.14 C ATOM 87 O GLY A 37 0.407 -5.612 7.545 1.00 0.15 O ATOM 0 H GLY A 37 0.037 -9.582 5.940 1.00 0.13 H new ATOM 0 HA2 GLY A 37 -0.736 -7.814 7.961 1.00 0.14 H new ATOM 0 HA3 GLY A 37 0.828 -8.585 7.786 1.00 0.14 H new ATOM 91 N VAL A 38 1.590 -6.628 5.918 1.00 0.15 N ATOM 92 CA VAL A 38 2.238 -5.400 5.473 1.00 0.16 C ATOM 93 C VAL A 38 1.202 -4.482 4.851 1.00 0.15 C ATOM 94 O VAL A 38 1.240 -3.265 5.019 1.00 0.16 O ATOM 95 CB VAL A 38 3.339 -5.683 4.424 1.00 0.21 C ATOM 96 CG1 VAL A 38 2.733 -6.256 3.159 1.00 1.11 C ATOM 97 CG2 VAL A 38 4.121 -4.422 4.100 1.00 1.28 C ATOM 0 H VAL A 38 1.865 -7.463 5.401 1.00 0.15 H new ATOM 0 HA VAL A 38 2.700 -4.933 6.343 1.00 0.16 H new ATOM 0 HB VAL A 38 4.026 -6.414 4.850 1.00 0.21 H new ATOM 0 HG11 VAL A 38 3.522 -6.449 2.432 1.00 1.11 H new ATOM 0 HG12 VAL A 38 2.219 -7.188 3.392 1.00 1.11 H new ATOM 0 HG13 VAL A 38 2.022 -5.544 2.741 1.00 1.11 H new ATOM 0 HG21 VAL A 38 4.888 -4.650 3.360 1.00 1.28 H new ATOM 0 HG22 VAL A 38 3.444 -3.667 3.700 1.00 1.28 H new ATOM 0 HG23 VAL A 38 4.592 -4.043 5.007 1.00 1.28 H new ATOM 107 N VAL A 39 0.274 -5.099 4.131 1.00 0.14 N ATOM 108 CA VAL A 39 -0.793 -4.385 3.461 1.00 0.15 C ATOM 109 C VAL A 39 -1.655 -3.620 4.459 1.00 0.14 C ATOM 110 O VAL A 39 -2.028 -2.476 4.212 1.00 0.17 O ATOM 111 CB VAL A 39 -1.638 -5.366 2.621 1.00 0.15 C ATOM 112 CG1 VAL A 39 -3.107 -4.973 2.578 1.00 0.15 C ATOM 113 CG2 VAL A 39 -1.062 -5.452 1.219 1.00 0.17 C ATOM 0 H VAL A 39 0.244 -6.110 3.998 1.00 0.14 H new ATOM 0 HA VAL A 39 -0.352 -3.649 2.789 1.00 0.15 H new ATOM 0 HB VAL A 39 -1.593 -6.345 3.098 1.00 0.15 H new ATOM 0 HG11 VAL A 39 -3.659 -5.694 1.975 1.00 0.15 H new ATOM 0 HG12 VAL A 39 -3.511 -4.962 3.590 1.00 0.15 H new ATOM 0 HG13 VAL A 39 -3.205 -3.981 2.138 1.00 0.15 H new ATOM 0 HG21 VAL A 39 -1.657 -6.144 0.623 1.00 0.17 H new ATOM 0 HG22 VAL A 39 -1.082 -4.465 0.756 1.00 0.17 H new ATOM 0 HG23 VAL A 39 -0.033 -5.808 1.270 1.00 0.17 H new ATOM 123 N LEU A 40 -1.977 -4.251 5.582 1.00 0.13 N ATOM 124 CA LEU A 40 -2.774 -3.598 6.609 1.00 0.14 C ATOM 125 C LEU A 40 -1.990 -2.454 7.236 1.00 0.14 C ATOM 126 O LEU A 40 -2.487 -1.332 7.331 1.00 0.15 O ATOM 127 CB LEU A 40 -3.198 -4.605 7.673 1.00 0.15 C ATOM 128 CG LEU A 40 -4.261 -5.602 7.215 1.00 0.16 C ATOM 129 CD1 LEU A 40 -4.268 -6.823 8.114 1.00 0.17 C ATOM 130 CD2 LEU A 40 -5.630 -4.943 7.202 1.00 0.21 C ATOM 0 H LEU A 40 -1.700 -5.208 5.802 1.00 0.13 H new ATOM 0 HA LEU A 40 -3.672 -3.189 6.147 1.00 0.14 H new ATOM 0 HB2 LEU A 40 -2.318 -5.157 8.003 1.00 0.15 H new ATOM 0 HB3 LEU A 40 -3.577 -4.062 8.539 1.00 0.15 H new ATOM 0 HG LEU A 40 -4.021 -5.924 6.202 1.00 0.16 H new ATOM 0 HD11 LEU A 40 -5.031 -7.522 7.772 1.00 0.17 H new ATOM 0 HD12 LEU A 40 -3.292 -7.306 8.079 1.00 0.17 H new ATOM 0 HD13 LEU A 40 -4.486 -6.520 9.138 1.00 0.17 H new ATOM 0 HD21 LEU A 40 -6.378 -5.665 6.874 1.00 0.21 H new ATOM 0 HD22 LEU A 40 -5.876 -4.596 8.206 1.00 0.21 H new ATOM 0 HD23 LEU A 40 -5.619 -4.095 6.517 1.00 0.21 H new ATOM 142 N ASP A 41 -0.768 -2.746 7.673 1.00 0.16 N ATOM 143 CA ASP A 41 0.089 -1.721 8.256 1.00 0.18 C ATOM 144 C ASP A 41 0.185 -0.543 7.295 1.00 0.18 C ATOM 145 O ASP A 41 0.337 0.608 7.707 1.00 0.20 O ATOM 146 CB ASP A 41 1.481 -2.283 8.549 1.00 0.18 C ATOM 147 CG ASP A 41 2.398 -1.256 9.184 1.00 0.20 C ATOM 148 OD1 ASP A 41 2.417 -1.165 10.429 1.00 0.24 O ATOM 149 OD2 ASP A 41 3.096 -0.539 8.435 1.00 0.21 O ATOM 0 H ASP A 41 -0.352 -3.677 7.635 1.00 0.16 H new ATOM 0 HA ASP A 41 -0.344 -1.387 9.199 1.00 0.18 H new ATOM 0 HB2 ASP A 41 1.390 -3.144 9.212 1.00 0.18 H new ATOM 0 HB3 ASP A 41 1.928 -2.641 7.621 1.00 0.18 H new ATOM 154 N SER A 42 0.094 -0.856 6.005 1.00 0.17 N ATOM 155 CA SER A 42 0.143 0.151 4.958 1.00 0.19 C ATOM 156 C SER A 42 -1.160 0.955 4.920 1.00 0.24 C ATOM 157 O SER A 42 -1.134 2.185 4.961 1.00 0.34 O ATOM 158 CB SER A 42 0.446 -0.512 3.614 1.00 0.21 C ATOM 159 OG SER A 42 1.707 -1.154 3.640 1.00 0.30 O ATOM 0 H SER A 42 -0.015 -1.810 5.661 1.00 0.17 H new ATOM 0 HA SER A 42 0.947 0.855 5.173 1.00 0.19 H new ATOM 0 HB2 SER A 42 -0.332 -1.239 3.379 1.00 0.21 H new ATOM 0 HB3 SER A 42 0.431 0.238 2.823 1.00 0.21 H new ATOM 0 HG SER A 42 2.121 -1.098 2.753 1.00 0.30 H new ATOM 165 N THR A 43 -2.294 0.259 4.840 1.00 0.20 N ATOM 166 CA THR A 43 -3.600 0.915 4.831 1.00 0.25 C ATOM 167 C THR A 43 -3.767 1.809 6.054 1.00 0.26 C ATOM 168 O THR A 43 -4.479 2.811 6.011 1.00 0.28 O ATOM 169 CB THR A 43 -4.756 -0.103 4.816 1.00 0.33 C ATOM 170 OG1 THR A 43 -4.351 -1.318 5.453 1.00 0.42 O ATOM 171 CG2 THR A 43 -5.220 -0.393 3.396 1.00 0.38 C ATOM 0 H THR A 43 -2.334 -0.758 4.781 1.00 0.20 H new ATOM 0 HA THR A 43 -3.638 1.512 3.920 1.00 0.25 H new ATOM 0 HB THR A 43 -5.592 0.332 5.364 1.00 0.33 H new ATOM 0 HG1 THR A 43 -3.927 -1.111 6.312 1.00 0.42 H new ATOM 0 HG21 THR A 43 -6.036 -1.115 3.420 1.00 0.38 H new ATOM 0 HG22 THR A 43 -5.566 0.530 2.930 1.00 0.38 H new ATOM 0 HG23 THR A 43 -4.391 -0.802 2.819 1.00 0.38 H new ATOM 179 N GLU A 44 -3.107 1.435 7.147 1.00 0.25 N ATOM 180 CA GLU A 44 -3.177 2.193 8.384 1.00 0.27 C ATOM 181 C GLU A 44 -2.344 3.465 8.283 1.00 0.23 C ATOM 182 O GLU A 44 -2.827 4.557 8.575 1.00 0.21 O ATOM 183 CB GLU A 44 -2.698 1.327 9.548 1.00 0.31 C ATOM 184 CG GLU A 44 -2.339 2.111 10.788 1.00 0.65 C ATOM 185 CD GLU A 44 -1.897 1.225 11.935 1.00 0.79 C ATOM 186 OE1 GLU A 44 -2.769 0.772 12.706 1.00 1.06 O ATOM 187 OE2 GLU A 44 -0.678 0.982 12.063 1.00 1.52 O ATOM 0 H GLU A 44 -2.515 0.606 7.196 1.00 0.25 H new ATOM 0 HA GLU A 44 -4.213 2.483 8.562 1.00 0.27 H new ATOM 0 HB2 GLU A 44 -3.478 0.608 9.798 1.00 0.31 H new ATOM 0 HB3 GLU A 44 -1.828 0.754 9.228 1.00 0.31 H new ATOM 0 HG2 GLU A 44 -1.541 2.814 10.549 1.00 0.65 H new ATOM 0 HG3 GLU A 44 -3.200 2.701 11.101 1.00 0.65 H new ATOM 194 N ALA A 45 -1.086 3.307 7.881 1.00 0.26 N ATOM 195 CA ALA A 45 -0.180 4.441 7.729 1.00 0.26 C ATOM 196 C ALA A 45 -0.841 5.567 6.937 1.00 0.23 C ATOM 197 O ALA A 45 -0.791 6.732 7.337 1.00 0.23 O ATOM 198 CB ALA A 45 1.105 3.999 7.047 1.00 0.28 C ATOM 0 H ALA A 45 -0.671 2.403 7.654 1.00 0.26 H new ATOM 0 HA ALA A 45 0.060 4.821 8.722 1.00 0.26 H new ATOM 0 HB1 ALA A 45 1.772 4.854 6.939 1.00 0.28 H new ATOM 0 HB2 ALA A 45 1.592 3.232 7.650 1.00 0.28 H new ATOM 0 HB3 ALA A 45 0.873 3.593 6.062 1.00 0.28 H new ATOM 204 N LEU A 46 -1.471 5.212 5.821 1.00 0.22 N ATOM 205 CA LEU A 46 -2.144 6.200 4.989 1.00 0.21 C ATOM 206 C LEU A 46 -3.421 6.676 5.668 1.00 0.18 C ATOM 207 O LEU A 46 -3.737 7.863 5.643 1.00 0.16 O ATOM 208 CB LEU A 46 -2.448 5.633 3.598 1.00 0.23 C ATOM 209 CG LEU A 46 -3.502 4.527 3.543 1.00 0.23 C ATOM 210 CD1 LEU A 46 -4.892 5.121 3.385 1.00 0.21 C ATOM 211 CD2 LEU A 46 -3.199 3.571 2.403 1.00 0.30 C ATOM 0 H LEU A 46 -1.529 4.254 5.475 1.00 0.22 H new ATOM 0 HA LEU A 46 -1.477 7.053 4.862 1.00 0.21 H new ATOM 0 HB2 LEU A 46 -2.775 6.452 2.957 1.00 0.23 H new ATOM 0 HB3 LEU A 46 -1.521 5.246 3.174 1.00 0.23 H new ATOM 0 HG LEU A 46 -3.473 3.972 4.481 1.00 0.23 H new ATOM 0 HD11 LEU A 46 -5.629 4.318 3.348 1.00 0.21 H new ATOM 0 HD12 LEU A 46 -5.108 5.772 4.232 1.00 0.21 H new ATOM 0 HD13 LEU A 46 -4.938 5.699 2.462 1.00 0.21 H new ATOM 0 HD21 LEU A 46 -3.956 2.788 2.374 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -3.205 4.117 1.459 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -2.218 3.121 2.556 1.00 0.30 H new ATOM 223 N CYS A 47 -4.146 5.741 6.278 1.00 0.17 N ATOM 224 CA CYS A 47 -5.383 6.067 6.977 1.00 0.16 C ATOM 225 C CYS A 47 -5.129 7.163 8.000 1.00 0.16 C ATOM 226 O CYS A 47 -5.972 8.034 8.222 1.00 0.20 O ATOM 227 CB CYS A 47 -5.949 4.826 7.669 1.00 0.19 C ATOM 228 SG CYS A 47 -7.468 5.130 8.603 1.00 0.23 S ATOM 0 H CYS A 47 -3.897 4.752 6.301 1.00 0.17 H new ATOM 0 HA CYS A 47 -6.112 6.422 6.248 1.00 0.16 H new ATOM 0 HB2 CYS A 47 -6.144 4.061 6.917 1.00 0.19 H new ATOM 0 HB3 CYS A 47 -5.194 4.424 8.345 1.00 0.19 H new ATOM 0 HG CYS A 47 -7.575 6.401 8.856 1.00 0.23 H new ATOM 234 N LEU A 48 -3.955 7.111 8.619 1.00 0.17 N ATOM 235 CA LEU A 48 -3.569 8.105 9.605 1.00 0.18 C ATOM 236 C LEU A 48 -3.225 9.409 8.912 1.00 0.18 C ATOM 237 O LEU A 48 -3.475 10.489 9.442 1.00 0.23 O ATOM 238 CB LEU A 48 -2.388 7.606 10.439 1.00 0.21 C ATOM 239 CG LEU A 48 -2.770 6.906 11.748 1.00 0.23 C ATOM 240 CD1 LEU A 48 -3.204 7.928 12.788 1.00 1.20 C ATOM 241 CD2 LEU A 48 -3.878 5.889 11.510 1.00 1.14 C ATOM 0 H LEU A 48 -3.255 6.388 8.453 1.00 0.17 H new ATOM 0 HA LEU A 48 -4.407 8.277 10.280 1.00 0.18 H new ATOM 0 HB2 LEU A 48 -1.801 6.916 9.833 1.00 0.21 H new ATOM 0 HB3 LEU A 48 -1.743 8.453 10.672 1.00 0.21 H new ATOM 0 HG LEU A 48 -1.894 6.377 12.123 1.00 0.23 H new ATOM 0 HD11 LEU A 48 -3.472 7.416 13.712 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -2.385 8.620 12.982 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -4.067 8.481 12.417 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -4.134 5.403 12.452 1.00 1.14 H new ATOM 0 HD22 LEU A 48 -4.757 6.395 11.112 1.00 1.14 H new ATOM 0 HD23 LEU A 48 -3.537 5.139 10.796 1.00 1.14 H new ATOM 253 N ALA A 49 -2.644 9.303 7.717 1.00 0.16 N ATOM 254 CA ALA A 49 -2.297 10.483 6.944 1.00 0.18 C ATOM 255 C ALA A 49 -3.555 11.287 6.653 1.00 0.18 C ATOM 256 O ALA A 49 -3.528 12.518 6.636 1.00 0.28 O ATOM 257 CB ALA A 49 -1.595 10.099 5.653 1.00 0.19 C ATOM 0 H ALA A 49 -2.407 8.417 7.271 1.00 0.16 H new ATOM 0 HA ALA A 49 -1.608 11.096 7.525 1.00 0.18 H new ATOM 0 HB1 ALA A 49 -1.346 11.000 5.092 1.00 0.19 H new ATOM 0 HB2 ALA A 49 -0.681 9.551 5.885 1.00 0.19 H new ATOM 0 HB3 ALA A 49 -2.253 9.470 5.054 1.00 0.19 H new ATOM 263 N ILE A 50 -4.661 10.578 6.424 1.00 0.12 N ATOM 264 CA ILE A 50 -5.937 11.232 6.167 1.00 0.14 C ATOM 265 C ILE A 50 -6.447 11.822 7.470 1.00 0.18 C ATOM 266 O ILE A 50 -7.113 12.857 7.488 1.00 0.21 O ATOM 267 CB ILE A 50 -7.006 10.270 5.595 1.00 0.14 C ATOM 268 CG1 ILE A 50 -6.361 9.100 4.845 1.00 0.15 C ATOM 269 CG2 ILE A 50 -7.932 11.033 4.662 1.00 0.17 C ATOM 270 CD1 ILE A 50 -7.356 8.087 4.318 1.00 0.18 C ATOM 0 H ILE A 50 -4.696 9.559 6.412 1.00 0.12 H new ATOM 0 HA ILE A 50 -5.767 12.003 5.415 1.00 0.14 H new ATOM 0 HB ILE A 50 -7.577 9.861 6.429 1.00 0.14 H new ATOM 0 HG12 ILE A 50 -5.780 9.492 4.010 1.00 0.15 H new ATOM 0 HG13 ILE A 50 -5.661 8.595 5.511 1.00 0.15 H new ATOM 0 HG21 ILE A 50 -8.684 10.354 4.260 1.00 0.17 H new ATOM 0 HG22 ILE A 50 -8.424 11.834 5.213 1.00 0.17 H new ATOM 0 HG23 ILE A 50 -7.353 11.459 3.843 1.00 0.17 H new ATOM 0 HD11 ILE A 50 -6.823 7.290 3.800 1.00 0.18 H new ATOM 0 HD12 ILE A 50 -7.921 7.665 5.149 1.00 0.18 H new ATOM 0 HD13 ILE A 50 -8.041 8.576 3.625 1.00 0.18 H new ATOM 282 N SER A 51 -6.118 11.140 8.567 1.00 0.25 N ATOM 283 CA SER A 51 -6.500 11.584 9.899 1.00 0.31 C ATOM 284 C SER A 51 -5.591 12.727 10.331 1.00 0.35 C ATOM 285 O SER A 51 -5.884 13.447 11.286 1.00 0.40 O ATOM 286 CB SER A 51 -6.390 10.427 10.898 1.00 0.35 C ATOM 287 OG SER A 51 -7.063 10.732 12.108 1.00 0.45 O ATOM 0 H SER A 51 -5.583 10.271 8.554 1.00 0.25 H new ATOM 0 HA SER A 51 -7.534 11.928 9.877 1.00 0.31 H new ATOM 0 HB2 SER A 51 -6.814 9.523 10.460 1.00 0.35 H new ATOM 0 HB3 SER A 51 -5.340 10.219 11.105 1.00 0.35 H new ATOM 0 HG SER A 51 -6.743 11.592 12.452 1.00 0.45 H new ATOM 293 N ARG A 52 -4.481 12.880 9.612 1.00 0.33 N ATOM 294 CA ARG A 52 -3.511 13.926 9.900 1.00 0.40 C ATOM 295 C ARG A 52 -3.870 15.216 9.174 1.00 0.41 C ATOM 296 O ARG A 52 -3.351 16.285 9.493 1.00 0.85 O ATOM 297 CB ARG A 52 -2.104 13.474 9.507 1.00 0.46 C ATOM 298 CG ARG A 52 -1.460 12.554 10.531 1.00 1.01 C ATOM 299 CD ARG A 52 -0.054 12.156 10.119 1.00 1.09 C ATOM 300 NE ARG A 52 0.581 11.292 11.112 1.00 1.61 N ATOM 301 CZ ARG A 52 1.825 10.835 11.005 1.00 1.97 C ATOM 302 NH1 ARG A 52 2.565 11.155 9.952 1.00 1.88 N ATOM 303 NH2 ARG A 52 2.329 10.053 11.951 1.00 2.91 N ATOM 0 H ARG A 52 -4.233 12.286 8.821 1.00 0.33 H new ATOM 0 HA ARG A 52 -3.532 14.119 10.973 1.00 0.40 H new ATOM 0 HB2 ARG A 52 -2.150 12.961 8.546 1.00 0.46 H new ATOM 0 HB3 ARG A 52 -1.473 14.352 9.370 1.00 0.46 H new ATOM 0 HG2 ARG A 52 -1.428 13.053 11.500 1.00 1.01 H new ATOM 0 HG3 ARG A 52 -2.071 11.660 10.653 1.00 1.01 H new ATOM 0 HD2 ARG A 52 -0.089 11.641 9.159 1.00 1.09 H new ATOM 0 HD3 ARG A 52 0.550 13.052 9.978 1.00 1.09 H new ATOM 0 HE ARG A 52 0.039 11.024 11.934 1.00 1.61 H new ATOM 0 HH11 ARG A 52 2.180 11.753 9.221 1.00 1.88 H new ATOM 0 HH12 ARG A 52 3.519 10.803 9.873 1.00 1.88 H new ATOM 0 HH21 ARG A 52 1.762 9.802 12.761 1.00 2.91 H new ATOM 0 HH22 ARG A 52 3.283 9.703 11.868 1.00 2.91 H new ATOM 317 N ASN A 53 -4.760 15.109 8.194 1.00 0.47 N ATOM 318 CA ASN A 53 -5.198 16.270 7.432 1.00 0.59 C ATOM 319 C ASN A 53 -6.565 16.741 7.917 1.00 0.83 C ATOM 320 O ASN A 53 -7.155 17.661 7.349 1.00 0.89 O ATOM 321 CB ASN A 53 -5.263 15.937 5.938 1.00 0.48 C ATOM 322 CG ASN A 53 -5.174 17.176 5.070 1.00 1.16 C ATOM 323 OD1 ASN A 53 -6.184 17.806 4.760 1.00 1.88 O ATOM 324 ND2 ASN A 53 -3.959 17.533 4.674 1.00 1.29 N ATOM 0 H ASN A 53 -5.192 14.230 7.909 1.00 0.47 H new ATOM 0 HA ASN A 53 -4.474 17.071 7.584 1.00 0.59 H new ATOM 0 HB2 ASN A 53 -4.449 15.258 5.683 1.00 0.48 H new ATOM 0 HB3 ASN A 53 -6.194 15.412 5.725 1.00 0.48 H new ATOM 0 HD21 ASN A 53 -3.836 18.359 4.089 1.00 1.29 H new ATOM 0 HD22 ASN A 53 -3.148 16.981 4.955 1.00 1.29 H new ATOM 331 N SER A 54 -7.065 16.102 8.974 1.00 1.05 N ATOM 332 CA SER A 54 -8.370 16.447 9.534 1.00 1.41 C ATOM 333 C SER A 54 -8.235 17.061 10.925 1.00 1.56 C ATOM 334 O SER A 54 -8.979 17.975 11.282 1.00 1.78 O ATOM 335 CB SER A 54 -9.260 15.204 9.600 1.00 1.56 C ATOM 336 OG SER A 54 -9.462 14.650 8.311 1.00 2.20 O ATOM 0 H SER A 54 -6.586 15.343 9.459 1.00 1.05 H new ATOM 0 HA SER A 54 -8.828 17.188 8.879 1.00 1.41 H new ATOM 0 HB2 SER A 54 -8.802 14.459 10.251 1.00 1.56 H new ATOM 0 HB3 SER A 54 -10.222 15.465 10.042 1.00 1.56 H new ATOM 0 HG SER A 54 -8.697 14.085 8.074 1.00 2.20 H new ATOM 342 N GLU A 55 -7.285 16.555 11.707 1.00 1.53 N ATOM 343 CA GLU A 55 -7.060 17.058 13.059 1.00 1.81 C ATOM 344 C GLU A 55 -5.801 17.916 13.108 1.00 1.87 C ATOM 345 O GLU A 55 -5.467 18.495 14.141 1.00 2.03 O ATOM 346 CB GLU A 55 -6.943 15.896 14.047 1.00 2.09 C ATOM 347 CG GLU A 55 -8.207 15.058 14.151 1.00 2.65 C ATOM 348 CD GLU A 55 -8.064 13.905 15.124 1.00 3.05 C ATOM 349 OE1 GLU A 55 -8.261 14.125 16.338 1.00 3.21 O ATOM 350 OE2 GLU A 55 -7.758 12.782 14.673 1.00 3.68 O ATOM 0 H GLU A 55 -6.660 15.799 11.428 1.00 1.53 H new ATOM 0 HA GLU A 55 -7.913 17.675 13.342 1.00 1.81 H new ATOM 0 HB2 GLU A 55 -6.115 15.254 13.745 1.00 2.09 H new ATOM 0 HB3 GLU A 55 -6.697 16.291 15.033 1.00 2.09 H new ATOM 0 HG2 GLU A 55 -9.035 15.693 14.466 1.00 2.65 H new ATOM 0 HG3 GLU A 55 -8.462 14.668 13.166 1.00 2.65 H new ATOM 357 N GLN A 56 -5.113 17.991 11.974 1.00 1.85 N ATOM 358 CA GLN A 56 -3.894 18.769 11.855 1.00 2.05 C ATOM 359 C GLN A 56 -3.810 19.381 10.461 1.00 1.77 C ATOM 360 O GLN A 56 -4.832 19.695 9.852 1.00 2.35 O ATOM 361 CB GLN A 56 -2.672 17.886 12.126 1.00 2.57 C ATOM 362 CG GLN A 56 -2.655 17.286 13.522 1.00 3.12 C ATOM 363 CD GLN A 56 -3.096 15.835 13.550 1.00 3.51 C ATOM 364 OE1 GLN A 56 -3.986 15.464 12.637 1.00 4.31 O flip ATOM 365 NE2 GLN A 56 -2.642 15.054 14.386 1.00 3.12 N flip ATOM 0 H GLN A 56 -5.387 17.514 11.115 1.00 1.85 H new ATOM 0 HA GLN A 56 -3.908 19.571 12.594 1.00 2.05 H new ATOM 0 HB2 GLN A 56 -2.646 17.080 11.393 1.00 2.57 H new ATOM 0 HB3 GLN A 56 -1.768 18.477 11.982 1.00 2.57 H new ATOM 0 HG2 GLN A 56 -1.648 17.362 13.931 1.00 3.12 H new ATOM 0 HG3 GLN A 56 -3.307 17.871 14.171 1.00 3.12 H new ATOM 0 HE21 GLN A 56 -1.959 15.380 15.070 1.00 3.12 H new ATOM 0 HE22 GLN A 56 -2.948 14.081 14.394 1.00 3.12 H new ATOM 374 N MET A 57 -2.594 19.550 9.963 1.00 1.64 N ATOM 375 CA MET A 57 -2.387 20.125 8.640 1.00 1.78 C ATOM 376 C MET A 57 -1.252 19.413 7.913 1.00 1.42 C ATOM 377 O MET A 57 -0.199 19.998 7.659 1.00 1.78 O ATOM 378 CB MET A 57 -2.085 21.621 8.749 1.00 2.45 C ATOM 379 CG MET A 57 -3.178 22.414 9.445 1.00 2.93 C ATOM 380 SD MET A 57 -2.911 24.194 9.355 1.00 3.79 S ATOM 381 CE MET A 57 -3.075 24.471 7.593 1.00 3.85 C ATOM 0 H MET A 57 -1.736 19.298 10.454 1.00 1.64 H new ATOM 0 HA MET A 57 -3.303 19.992 8.065 1.00 1.78 H new ATOM 0 HB2 MET A 57 -1.149 21.755 9.291 1.00 2.45 H new ATOM 0 HB3 MET A 57 -1.935 22.026 7.748 1.00 2.45 H new ATOM 0 HG2 MET A 57 -4.140 22.172 8.994 1.00 2.93 H new ATOM 0 HG3 MET A 57 -3.231 22.111 10.491 1.00 2.93 H new ATOM 0 HE1 MET A 57 -3.343 25.512 7.412 1.00 3.85 H new ATOM 0 HE2 MET A 57 -2.129 24.249 7.100 1.00 3.85 H new ATOM 0 HE3 MET A 57 -3.853 23.821 7.193 1.00 3.85 H new ATOM 391 N ALA A 58 -1.475 18.144 7.582 1.00 1.35 N ATOM 392 CA ALA A 58 -0.471 17.354 6.882 1.00 1.07 C ATOM 393 C ALA A 58 -0.497 17.644 5.384 1.00 1.14 C ATOM 394 O ALA A 58 0.065 18.642 4.932 1.00 1.92 O ATOM 395 CB ALA A 58 -0.680 15.871 7.150 1.00 0.89 C ATOM 0 H ALA A 58 -2.340 17.644 7.787 1.00 1.35 H new ATOM 0 HA ALA A 58 0.511 17.636 7.260 1.00 1.07 H new ATOM 0 HB1 ALA A 58 0.078 15.295 6.620 1.00 0.89 H new ATOM 0 HB2 ALA A 58 -0.599 15.680 8.220 1.00 0.89 H new ATOM 0 HB3 ALA A 58 -1.670 15.574 6.803 1.00 0.89 H new ATOM 401 N SER A 59 -1.159 16.776 4.618 1.00 0.79 N ATOM 402 CA SER A 59 -1.255 16.949 3.171 1.00 1.11 C ATOM 403 C SER A 59 -2.091 15.840 2.541 1.00 0.72 C ATOM 404 O SER A 59 -2.003 14.680 2.943 1.00 0.72 O ATOM 405 CB SER A 59 0.139 16.957 2.539 1.00 1.84 C ATOM 406 OG SER A 59 0.804 15.725 2.754 1.00 2.28 O ATOM 0 H SER A 59 -1.635 15.948 4.976 1.00 0.79 H new ATOM 0 HA SER A 59 -1.743 17.906 2.983 1.00 1.11 H new ATOM 0 HB2 SER A 59 0.055 17.147 1.469 1.00 1.84 H new ATOM 0 HB3 SER A 59 0.729 17.771 2.962 1.00 1.84 H new ATOM 0 HG SER A 59 0.899 15.568 3.717 1.00 2.28 H new ATOM 412 N HIS A 60 -2.905 16.206 1.554 1.00 0.54 N ATOM 413 CA HIS A 60 -3.744 15.236 0.862 1.00 0.41 C ATOM 414 C HIS A 60 -2.879 14.343 -0.019 1.00 0.37 C ATOM 415 O HIS A 60 -3.299 13.263 -0.437 1.00 0.60 O ATOM 416 CB HIS A 60 -4.811 15.947 0.020 1.00 0.56 C ATOM 417 CG HIS A 60 -4.442 16.108 -1.424 1.00 0.48 C ATOM 418 ND1 HIS A 60 -3.531 17.051 -1.832 1.00 1.10 N ATOM 419 CD2 HIS A 60 -4.879 15.417 -2.505 1.00 0.48 C ATOM 420 CE1 HIS A 60 -3.433 16.915 -3.142 1.00 1.30 C ATOM 421 NE2 HIS A 60 -4.231 15.937 -3.596 1.00 0.80 N ATOM 0 H HIS A 60 -3.000 17.164 1.218 1.00 0.54 H new ATOM 0 HA HIS A 60 -4.253 14.619 1.603 1.00 0.41 H new ATOM 0 HB2 HIS A 60 -5.744 15.387 0.086 1.00 0.56 H new ATOM 0 HB3 HIS A 60 -5.000 16.932 0.448 1.00 0.56 H new ATOM 0 HD1 HIS A 60 -3.033 17.719 -1.244 1.00 1.10 H new ATOM 0 HD2 HIS A 60 -5.599 14.612 -2.507 1.00 0.48 H new ATOM 0 HE1 HIS A 60 -2.791 17.516 -3.769 1.00 1.30 H new ATOM 429 N SER A 61 -1.669 14.814 -0.304 1.00 0.33 N ATOM 430 CA SER A 61 -0.728 14.069 -1.126 1.00 0.40 C ATOM 431 C SER A 61 -0.060 12.974 -0.305 1.00 0.29 C ATOM 432 O SER A 61 0.624 12.109 -0.847 1.00 0.28 O ATOM 433 CB SER A 61 0.331 15.007 -1.709 1.00 0.58 C ATOM 434 OG SER A 61 1.261 14.296 -2.507 1.00 1.58 O ATOM 0 H SER A 61 -1.318 15.713 0.025 1.00 0.33 H new ATOM 0 HA SER A 61 -1.277 13.608 -1.947 1.00 0.40 H new ATOM 0 HB2 SER A 61 -0.153 15.778 -2.309 1.00 0.58 H new ATOM 0 HB3 SER A 61 0.856 15.515 -0.900 1.00 0.58 H new ATOM 0 HG SER A 61 1.264 13.352 -2.244 1.00 1.58 H new ATOM 440 N ALA A 62 -0.259 13.029 1.008 1.00 0.26 N ATOM 441 CA ALA A 62 0.309 12.038 1.912 1.00 0.24 C ATOM 442 C ALA A 62 -0.497 10.745 1.855 1.00 0.19 C ATOM 443 O ALA A 62 0.064 9.654 1.767 1.00 0.21 O ATOM 444 CB ALA A 62 0.352 12.586 3.331 1.00 0.33 C ATOM 0 H ALA A 62 -0.811 13.752 1.470 1.00 0.26 H new ATOM 0 HA ALA A 62 1.329 11.818 1.597 1.00 0.24 H new ATOM 0 HB1 ALA A 62 0.778 11.836 3.998 1.00 0.33 H new ATOM 0 HB2 ALA A 62 0.967 13.485 3.355 1.00 0.33 H new ATOM 0 HB3 ALA A 62 -0.659 12.829 3.658 1.00 0.33 H new ATOM 450 N VAL A 63 -1.819 10.882 1.909 1.00 0.18 N ATOM 451 CA VAL A 63 -2.708 9.728 1.832 1.00 0.16 C ATOM 452 C VAL A 63 -2.691 9.175 0.412 1.00 0.15 C ATOM 453 O VAL A 63 -2.965 8.000 0.178 1.00 0.18 O ATOM 454 CB VAL A 63 -4.155 10.087 2.251 1.00 0.17 C ATOM 455 CG1 VAL A 63 -4.501 11.514 1.849 1.00 0.21 C ATOM 456 CG2 VAL A 63 -5.160 9.102 1.663 1.00 0.19 C ATOM 0 H VAL A 63 -2.297 11.778 2.005 1.00 0.18 H new ATOM 0 HA VAL A 63 -2.348 8.971 2.529 1.00 0.16 H new ATOM 0 HB VAL A 63 -4.212 10.017 3.337 1.00 0.17 H new ATOM 0 HG11 VAL A 63 -5.522 11.741 2.155 1.00 0.21 H new ATOM 0 HG12 VAL A 63 -3.814 12.206 2.336 1.00 0.21 H new ATOM 0 HG13 VAL A 63 -4.414 11.618 0.767 1.00 0.21 H new ATOM 0 HG21 VAL A 63 -6.167 9.380 1.975 1.00 0.19 H new ATOM 0 HG22 VAL A 63 -5.098 9.125 0.575 1.00 0.19 H new ATOM 0 HG23 VAL A 63 -4.935 8.097 2.019 1.00 0.19 H new ATOM 466 N LEU A 64 -2.378 10.057 -0.526 1.00 0.16 N ATOM 467 CA LEU A 64 -2.279 9.708 -1.938 1.00 0.18 C ATOM 468 C LEU A 64 -0.984 8.946 -2.209 1.00 0.20 C ATOM 469 O LEU A 64 -0.994 7.902 -2.860 1.00 0.24 O ATOM 470 CB LEU A 64 -2.335 10.982 -2.794 1.00 0.17 C ATOM 471 CG LEU A 64 -2.741 10.792 -4.263 1.00 0.17 C ATOM 472 CD1 LEU A 64 -1.625 10.135 -5.063 1.00 0.23 C ATOM 473 CD2 LEU A 64 -4.026 9.980 -4.365 1.00 0.24 C ATOM 0 H LEU A 64 -2.185 11.039 -0.330 1.00 0.16 H new ATOM 0 HA LEU A 64 -3.119 9.065 -2.202 1.00 0.18 H new ATOM 0 HB2 LEU A 64 -3.037 11.676 -2.331 1.00 0.17 H new ATOM 0 HB3 LEU A 64 -1.354 11.456 -2.768 1.00 0.17 H new ATOM 0 HG LEU A 64 -2.922 11.778 -4.690 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -1.942 10.014 -6.099 1.00 0.23 H new ATOM 0 HD12 LEU A 64 -0.734 10.762 -5.027 1.00 0.23 H new ATOM 0 HD13 LEU A 64 -1.398 9.158 -4.636 1.00 0.23 H new ATOM 0 HD21 LEU A 64 -4.296 9.857 -5.414 1.00 0.24 H new ATOM 0 HD22 LEU A 64 -3.874 9.000 -3.912 1.00 0.24 H new ATOM 0 HD23 LEU A 64 -4.828 10.501 -3.842 1.00 0.24 H new ATOM 485 N GLU A 65 0.132 9.478 -1.710 1.00 0.19 N ATOM 486 CA GLU A 65 1.431 8.833 -1.883 1.00 0.22 C ATOM 487 C GLU A 65 1.403 7.466 -1.225 1.00 0.20 C ATOM 488 O GLU A 65 1.727 6.446 -1.839 1.00 0.21 O ATOM 489 CB GLU A 65 2.536 9.676 -1.262 1.00 0.23 C ATOM 490 CG GLU A 65 3.860 9.589 -2.005 1.00 0.32 C ATOM 491 CD GLU A 65 4.479 8.208 -1.931 1.00 1.32 C ATOM 492 OE1 GLU A 65 5.213 7.936 -0.958 1.00 1.65 O ATOM 493 OE2 GLU A 65 4.229 7.396 -2.848 1.00 2.32 O ATOM 0 H GLU A 65 0.161 10.352 -1.184 1.00 0.19 H new ATOM 0 HA GLU A 65 1.633 8.728 -2.949 1.00 0.22 H new ATOM 0 HB2 GLU A 65 2.214 10.717 -1.232 1.00 0.23 H new ATOM 0 HB3 GLU A 65 2.687 9.359 -0.230 1.00 0.23 H new ATOM 0 HG2 GLU A 65 3.705 9.858 -3.050 1.00 0.32 H new ATOM 0 HG3 GLU A 65 4.555 10.318 -1.588 1.00 0.32 H new ATOM 500 N ALA A 66 0.994 7.469 0.034 1.00 0.18 N ATOM 501 CA ALA A 66 0.883 6.243 0.798 1.00 0.16 C ATOM 502 C ALA A 66 -0.214 5.392 0.184 1.00 0.22 C ATOM 503 O ALA A 66 -0.207 4.165 0.290 1.00 0.29 O ATOM 504 CB ALA A 66 0.585 6.540 2.259 1.00 0.16 C ATOM 0 H ALA A 66 0.733 8.311 0.547 1.00 0.18 H new ATOM 0 HA ALA A 66 1.829 5.703 0.765 1.00 0.16 H new ATOM 0 HB1 ALA A 66 0.506 5.604 2.812 1.00 0.16 H new ATOM 0 HB2 ALA A 66 1.390 7.143 2.679 1.00 0.16 H new ATOM 0 HB3 ALA A 66 -0.355 7.086 2.335 1.00 0.16 H new ATOM 510 N GLY A 67 -1.160 6.071 -0.461 1.00 0.29 N ATOM 511 CA GLY A 67 -2.261 5.400 -1.111 1.00 0.40 C ATOM 512 C GLY A 67 -1.806 4.512 -2.253 1.00 0.26 C ATOM 513 O GLY A 67 -2.195 3.347 -2.337 1.00 0.25 O ATOM 0 H GLY A 67 -1.178 7.088 -0.542 1.00 0.29 H new ATOM 0 HA2 GLY A 67 -2.799 4.798 -0.379 1.00 0.40 H new ATOM 0 HA3 GLY A 67 -2.963 6.143 -1.490 1.00 0.40 H new ATOM 517 N LYS A 68 -0.973 5.070 -3.130 1.00 0.21 N ATOM 518 CA LYS A 68 -0.460 4.337 -4.281 1.00 0.15 C ATOM 519 C LYS A 68 0.334 3.126 -3.826 1.00 0.16 C ATOM 520 O LYS A 68 0.197 2.035 -4.382 1.00 0.21 O ATOM 521 CB LYS A 68 0.426 5.239 -5.141 1.00 0.18 C ATOM 522 CG LYS A 68 -0.145 5.517 -6.520 1.00 0.66 C ATOM 523 CD LYS A 68 -1.271 6.533 -6.464 1.00 0.65 C ATOM 524 CE LYS A 68 -2.315 6.263 -7.532 1.00 0.73 C ATOM 525 NZ LYS A 68 -3.256 7.406 -7.691 1.00 0.83 N ATOM 0 H LYS A 68 -0.639 6.031 -3.063 1.00 0.21 H new ATOM 0 HA LYS A 68 -1.309 4.003 -4.877 1.00 0.15 H new ATOM 0 HB2 LYS A 68 0.578 6.186 -4.622 1.00 0.18 H new ATOM 0 HB3 LYS A 68 1.406 4.774 -5.250 1.00 0.18 H new ATOM 0 HG2 LYS A 68 0.645 5.885 -7.174 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -0.513 4.588 -6.956 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -1.739 6.505 -5.480 1.00 0.65 H new ATOM 0 HD3 LYS A 68 -0.865 7.536 -6.596 1.00 0.65 H new ATOM 0 HE2 LYS A 68 -1.819 6.066 -8.483 1.00 0.73 H new ATOM 0 HE3 LYS A 68 -2.875 5.365 -7.273 1.00 0.73 H new ATOM 0 HZ1 LYS A 68 -4.235 7.064 -7.610 1.00 0.83 H new ATOM 0 HZ2 LYS A 68 -3.073 8.112 -6.949 1.00 0.83 H new ATOM 0 HZ3 LYS A 68 -3.118 7.842 -8.625 1.00 0.83 H new ATOM 539 N ASN A 69 1.167 3.327 -2.815 1.00 0.16 N ATOM 540 CA ASN A 69 1.985 2.254 -2.275 1.00 0.19 C ATOM 541 C ASN A 69 1.112 1.100 -1.788 1.00 0.20 C ATOM 542 O ASN A 69 1.420 -0.069 -2.027 1.00 0.23 O ATOM 543 CB ASN A 69 2.844 2.792 -1.130 1.00 0.21 C ATOM 544 CG ASN A 69 4.136 3.418 -1.621 1.00 0.25 C ATOM 545 OD1 ASN A 69 5.162 2.747 -1.728 1.00 0.53 O ATOM 546 ND2 ASN A 69 4.094 4.711 -1.923 1.00 0.30 N ATOM 0 H ASN A 69 1.293 4.227 -2.352 1.00 0.16 H new ATOM 0 HA ASN A 69 2.634 1.875 -3.064 1.00 0.19 H new ATOM 0 HB2 ASN A 69 2.274 3.533 -0.569 1.00 0.21 H new ATOM 0 HB3 ASN A 69 3.076 1.980 -0.441 1.00 0.21 H new ATOM 0 HD21 ASN A 69 4.933 5.184 -2.258 1.00 0.30 H new ATOM 0 HD22 ASN A 69 3.222 5.231 -1.820 1.00 0.30 H new ATOM 553 N LEU A 70 0.014 1.436 -1.119 1.00 0.20 N ATOM 554 CA LEU A 70 -0.903 0.427 -0.605 1.00 0.21 C ATOM 555 C LEU A 70 -1.424 -0.439 -1.743 1.00 0.19 C ATOM 556 O LEU A 70 -1.403 -1.668 -1.664 1.00 0.21 O ATOM 557 CB LEU A 70 -2.072 1.097 0.126 1.00 0.24 C ATOM 558 CG LEU A 70 -2.930 0.188 1.007 1.00 0.28 C ATOM 559 CD1 LEU A 70 -3.535 -0.958 0.242 1.00 1.00 C ATOM 560 CD2 LEU A 70 -2.109 -0.355 2.129 1.00 1.41 C ATOM 0 H LEU A 70 -0.262 2.398 -0.921 1.00 0.20 H new ATOM 0 HA LEU A 70 -0.365 -0.207 0.100 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -1.673 1.898 0.748 1.00 0.24 H new ATOM 0 HB3 LEU A 70 -2.719 1.563 -0.618 1.00 0.24 H new ATOM 0 HG LEU A 70 -3.747 0.800 1.390 1.00 0.28 H new ATOM 0 HD11 LEU A 70 -4.133 -1.570 0.917 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -4.170 -0.569 -0.554 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -2.741 -1.566 -0.191 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -2.727 -1.001 2.752 1.00 1.41 H new ATOM 0 HD22 LEU A 70 -1.275 -0.929 1.725 1.00 1.41 H new ATOM 0 HD23 LEU A 70 -1.724 0.469 2.730 1.00 1.41 H new ATOM 572 N TYR A 71 -1.880 0.210 -2.807 1.00 0.15 N ATOM 573 CA TYR A 71 -2.413 -0.502 -3.957 1.00 0.14 C ATOM 574 C TYR A 71 -1.354 -1.410 -4.574 1.00 0.14 C ATOM 575 O TYR A 71 -1.670 -2.485 -5.081 1.00 0.16 O ATOM 576 CB TYR A 71 -2.941 0.489 -5.000 1.00 0.14 C ATOM 577 CG TYR A 71 -3.199 -0.139 -6.352 1.00 0.13 C ATOM 578 CD1 TYR A 71 -4.352 -0.876 -6.591 1.00 0.75 C ATOM 579 CD2 TYR A 71 -2.292 0.015 -7.392 1.00 0.71 C ATOM 580 CE1 TYR A 71 -4.593 -1.444 -7.829 1.00 0.75 C ATOM 581 CE2 TYR A 71 -2.526 -0.547 -8.632 1.00 0.72 C ATOM 582 CZ TYR A 71 -3.670 -1.310 -8.831 1.00 0.16 C ATOM 583 OH TYR A 71 -3.914 -1.837 -10.080 1.00 0.19 O ATOM 0 H TYR A 71 -1.891 1.226 -2.896 1.00 0.15 H new ATOM 0 HA TYR A 71 -3.240 -1.126 -3.618 1.00 0.14 H new ATOM 0 HB2 TYR A 71 -3.866 0.933 -4.632 1.00 0.14 H new ATOM 0 HB3 TYR A 71 -2.222 1.300 -5.116 1.00 0.14 H new ATOM 0 HD1 TYR A 71 -5.072 -1.008 -5.797 1.00 0.75 H new ATOM 0 HD2 TYR A 71 -1.388 0.584 -7.229 1.00 0.71 H new ATOM 0 HE1 TYR A 71 -5.507 -1.992 -8.005 1.00 0.75 H new ATOM 0 HE2 TYR A 71 -1.826 -0.395 -9.440 1.00 0.72 H new ATOM 0 HH TYR A 71 -3.154 -1.648 -10.669 1.00 0.19 H new ATOM 593 N SER A 72 -0.097 -0.979 -4.515 1.00 0.14 N ATOM 594 CA SER A 72 0.996 -1.754 -5.086 1.00 0.17 C ATOM 595 C SER A 72 1.451 -2.881 -4.159 1.00 0.13 C ATOM 596 O SER A 72 2.098 -3.833 -4.610 1.00 0.32 O ATOM 597 CB SER A 72 2.177 -0.846 -5.432 1.00 0.29 C ATOM 598 OG SER A 72 2.585 -0.082 -4.311 1.00 1.13 O ATOM 0 H SER A 72 0.187 -0.102 -4.080 1.00 0.14 H new ATOM 0 HA SER A 72 0.618 -2.214 -5.999 1.00 0.17 H new ATOM 0 HB2 SER A 72 3.012 -1.451 -5.786 1.00 0.29 H new ATOM 0 HB3 SER A 72 1.899 -0.179 -6.248 1.00 0.29 H new ATOM 0 HG SER A 72 2.229 -0.487 -3.492 1.00 1.13 H new ATOM 604 N PHE A 73 1.081 -2.818 -2.877 1.00 0.20 N ATOM 605 CA PHE A 73 1.494 -3.870 -1.954 1.00 0.17 C ATOM 606 C PHE A 73 0.570 -5.058 -2.134 1.00 0.13 C ATOM 607 O PHE A 73 1.010 -6.205 -2.212 1.00 0.15 O ATOM 608 CB PHE A 73 1.441 -3.406 -0.495 1.00 0.24 C ATOM 609 CG PHE A 73 2.358 -2.264 -0.169 1.00 0.24 C ATOM 610 CD1 PHE A 73 3.646 -2.246 -0.670 1.00 0.27 C ATOM 611 CD2 PHE A 73 1.936 -1.213 0.629 1.00 0.23 C ATOM 612 CE1 PHE A 73 4.501 -1.202 -0.384 1.00 0.28 C ATOM 613 CE2 PHE A 73 2.787 -0.163 0.921 1.00 0.23 C ATOM 614 CZ PHE A 73 4.039 -0.144 0.459 1.00 0.26 C ATOM 0 H PHE A 73 0.515 -2.075 -2.467 1.00 0.20 H new ATOM 0 HA PHE A 73 2.527 -4.137 -2.178 1.00 0.17 H new ATOM 0 HB2 PHE A 73 0.418 -3.113 -0.258 1.00 0.24 H new ATOM 0 HB3 PHE A 73 1.689 -4.249 0.150 1.00 0.24 H new ATOM 0 HD1 PHE A 73 3.987 -3.059 -1.293 1.00 0.27 H new ATOM 0 HD2 PHE A 73 0.932 -1.214 1.027 1.00 0.23 H new ATOM 0 HE1 PHE A 73 5.502 -1.184 -0.790 1.00 0.28 H new ATOM 0 HE2 PHE A 73 2.433 0.654 1.532 1.00 0.23 H new ATOM 0 HZ PHE A 73 4.701 0.668 0.721 1.00 0.26 H new ATOM 624 N CYS A 74 -0.720 -4.765 -2.224 1.00 0.15 N ATOM 625 CA CYS A 74 -1.714 -5.798 -2.429 1.00 0.20 C ATOM 626 C CYS A 74 -1.591 -6.335 -3.849 1.00 0.16 C ATOM 627 O CYS A 74 -1.932 -7.480 -4.125 1.00 0.27 O ATOM 628 CB CYS A 74 -3.123 -5.243 -2.210 1.00 0.31 C ATOM 629 SG CYS A 74 -3.289 -4.181 -0.758 1.00 0.90 S ATOM 0 H CYS A 74 -1.098 -3.820 -2.158 1.00 0.15 H new ATOM 0 HA CYS A 74 -1.544 -6.600 -1.711 1.00 0.20 H new ATOM 0 HB2 CYS A 74 -3.419 -4.678 -3.094 1.00 0.31 H new ATOM 0 HB3 CYS A 74 -3.818 -6.077 -2.117 1.00 0.31 H new ATOM 0 HG CYS A 74 -4.516 -3.763 -0.664 1.00 0.90 H new ATOM 635 N VAL A 75 -1.099 -5.481 -4.748 1.00 0.25 N ATOM 636 CA VAL A 75 -0.919 -5.848 -6.147 1.00 0.28 C ATOM 637 C VAL A 75 0.120 -6.955 -6.291 1.00 0.27 C ATOM 638 O VAL A 75 -0.029 -7.848 -7.125 1.00 0.29 O ATOM 639 CB VAL A 75 -0.514 -4.619 -7.003 1.00 0.37 C ATOM 640 CG1 VAL A 75 0.931 -4.709 -7.479 1.00 0.38 C ATOM 641 CG2 VAL A 75 -1.456 -4.456 -8.184 1.00 0.43 C ATOM 0 H VAL A 75 -0.818 -4.526 -4.527 1.00 0.25 H new ATOM 0 HA VAL A 75 -1.876 -6.220 -6.514 1.00 0.28 H new ATOM 0 HB VAL A 75 -0.594 -3.738 -6.366 1.00 0.37 H new ATOM 0 HG11 VAL A 75 1.173 -3.829 -8.075 1.00 0.38 H new ATOM 0 HG12 VAL A 75 1.596 -4.758 -6.617 1.00 0.38 H new ATOM 0 HG13 VAL A 75 1.059 -5.605 -8.087 1.00 0.38 H new ATOM 0 HG21 VAL A 75 -1.156 -3.589 -8.772 1.00 0.43 H new ATOM 0 HG22 VAL A 75 -1.416 -5.349 -8.808 1.00 0.43 H new ATOM 0 HG23 VAL A 75 -2.474 -4.313 -7.821 1.00 0.43 H new ATOM 651 N SER A 76 1.180 -6.892 -5.488 1.00 0.27 N ATOM 652 CA SER A 76 2.220 -7.913 -5.536 1.00 0.28 C ATOM 653 C SER A 76 1.914 -9.033 -4.544 1.00 0.23 C ATOM 654 O SER A 76 2.543 -10.092 -4.571 1.00 0.26 O ATOM 655 CB SER A 76 3.586 -7.298 -5.227 1.00 0.32 C ATOM 656 OG SER A 76 4.609 -8.279 -5.266 1.00 0.90 O ATOM 0 H SER A 76 1.339 -6.153 -4.804 1.00 0.27 H new ATOM 0 HA SER A 76 2.243 -8.332 -6.542 1.00 0.28 H new ATOM 0 HB2 SER A 76 3.805 -6.511 -5.948 1.00 0.32 H new ATOM 0 HB3 SER A 76 3.563 -6.831 -4.242 1.00 0.32 H new ATOM 0 HG SER A 76 4.236 -9.151 -5.017 1.00 0.90 H new ATOM 662 N TYR A 77 0.943 -8.786 -3.670 1.00 0.18 N ATOM 663 CA TYR A 77 0.543 -9.760 -2.658 1.00 0.16 C ATOM 664 C TYR A 77 -0.579 -10.679 -3.159 1.00 0.17 C ATOM 665 O TYR A 77 -0.706 -11.815 -2.700 1.00 0.20 O ATOM 666 CB TYR A 77 0.123 -9.022 -1.380 1.00 0.16 C ATOM 667 CG TYR A 77 -0.962 -9.707 -0.584 1.00 0.15 C ATOM 668 CD1 TYR A 77 -0.661 -10.785 0.230 1.00 0.17 C ATOM 669 CD2 TYR A 77 -2.283 -9.280 -0.649 1.00 0.20 C ATOM 670 CE1 TYR A 77 -1.639 -11.423 0.958 1.00 0.19 C ATOM 671 CE2 TYR A 77 -3.270 -9.914 0.080 1.00 0.22 C ATOM 672 CZ TYR A 77 -2.974 -10.947 0.873 1.00 0.21 C ATOM 673 OH TYR A 77 -3.922 -11.621 1.612 1.00 0.25 O ATOM 0 H TYR A 77 0.415 -7.914 -3.642 1.00 0.18 H new ATOM 0 HA TYR A 77 1.397 -10.401 -2.440 1.00 0.16 H new ATOM 0 HB2 TYR A 77 0.999 -8.899 -0.743 1.00 0.16 H new ATOM 0 HB3 TYR A 77 -0.219 -8.023 -1.649 1.00 0.16 H new ATOM 0 HD1 TYR A 77 0.360 -11.132 0.295 1.00 0.17 H new ATOM 0 HD2 TYR A 77 -2.541 -8.441 -1.278 1.00 0.20 H new ATOM 0 HE1 TYR A 77 -1.396 -12.270 1.582 1.00 0.19 H new ATOM 0 HE2 TYR A 77 -4.292 -9.571 0.008 1.00 0.22 H new ATOM 0 HH TYR A 77 -3.613 -11.710 2.538 1.00 0.25 H new ATOM 683 N VAL A 78 -1.383 -10.193 -4.104 1.00 0.19 N ATOM 684 CA VAL A 78 -2.480 -10.983 -4.654 1.00 0.25 C ATOM 685 C VAL A 78 -1.956 -12.226 -5.368 1.00 0.27 C ATOM 686 O VAL A 78 -2.720 -13.117 -5.737 1.00 0.25 O ATOM 687 CB VAL A 78 -3.349 -10.164 -5.628 1.00 0.33 C ATOM 688 CG1 VAL A 78 -4.302 -9.269 -4.864 1.00 0.98 C ATOM 689 CG2 VAL A 78 -2.481 -9.353 -6.576 1.00 0.72 C ATOM 0 H VAL A 78 -1.294 -9.258 -4.503 1.00 0.19 H new ATOM 0 HA VAL A 78 -3.100 -11.285 -3.810 1.00 0.25 H new ATOM 0 HB VAL A 78 -3.940 -10.857 -6.227 1.00 0.33 H new ATOM 0 HG11 VAL A 78 -4.908 -8.698 -5.568 1.00 0.98 H new ATOM 0 HG12 VAL A 78 -4.952 -9.880 -4.238 1.00 0.98 H new ATOM 0 HG13 VAL A 78 -3.733 -8.584 -4.236 1.00 0.98 H new ATOM 0 HG21 VAL A 78 -3.117 -8.783 -7.254 1.00 0.72 H new ATOM 0 HG22 VAL A 78 -1.857 -8.668 -6.002 1.00 0.72 H new ATOM 0 HG23 VAL A 78 -1.846 -10.025 -7.153 1.00 0.72 H new ATOM 699 N ASP A 79 -0.646 -12.270 -5.571 1.00 0.36 N ATOM 700 CA ASP A 79 -0.008 -13.400 -6.218 1.00 0.41 C ATOM 701 C ASP A 79 0.047 -14.600 -5.273 1.00 0.43 C ATOM 702 O ASP A 79 0.657 -15.622 -5.586 1.00 0.51 O ATOM 703 CB ASP A 79 1.399 -13.008 -6.657 1.00 0.48 C ATOM 704 CG ASP A 79 1.432 -12.433 -8.059 1.00 0.68 C ATOM 705 OD1 ASP A 79 1.537 -13.221 -9.022 1.00 0.93 O ATOM 706 OD2 ASP A 79 1.352 -11.194 -8.194 1.00 1.31 O ATOM 0 H ASP A 79 -0.003 -11.528 -5.293 1.00 0.36 H new ATOM 0 HA ASP A 79 -0.592 -13.683 -7.093 1.00 0.41 H new ATOM 0 HB2 ASP A 79 1.803 -12.276 -5.958 1.00 0.48 H new ATOM 0 HB3 ASP A 79 2.047 -13.883 -6.612 1.00 0.48 H new ATOM 711 N SER A 80 -0.598 -14.463 -4.116 1.00 0.41 N ATOM 712 CA SER A 80 -0.626 -15.528 -3.120 1.00 0.46 C ATOM 713 C SER A 80 -2.058 -15.863 -2.714 1.00 0.42 C ATOM 714 O SER A 80 -2.284 -16.747 -1.886 1.00 0.46 O ATOM 715 CB SER A 80 0.181 -15.117 -1.885 1.00 0.52 C ATOM 716 OG SER A 80 0.192 -16.150 -0.916 1.00 1.49 O ATOM 0 H SER A 80 -1.109 -13.622 -3.846 1.00 0.41 H new ATOM 0 HA SER A 80 -0.178 -16.417 -3.565 1.00 0.46 H new ATOM 0 HB2 SER A 80 1.203 -14.878 -2.178 1.00 0.52 H new ATOM 0 HB3 SER A 80 -0.246 -14.213 -1.452 1.00 0.52 H new ATOM 0 HG SER A 80 -0.596 -16.720 -1.037 1.00 1.49 H new ATOM 722 N ILE A 81 -3.017 -15.141 -3.292 1.00 0.38 N ATOM 723 CA ILE A 81 -4.436 -15.344 -3.012 1.00 0.38 C ATOM 724 C ILE A 81 -4.803 -16.822 -2.903 1.00 0.51 C ATOM 725 O ILE A 81 -5.697 -17.187 -2.144 1.00 1.39 O ATOM 726 CB ILE A 81 -5.298 -14.691 -4.114 1.00 0.29 C ATOM 727 CG1 ILE A 81 -5.105 -13.173 -4.113 1.00 0.33 C ATOM 728 CG2 ILE A 81 -6.768 -15.053 -3.959 1.00 0.40 C ATOM 729 CD1 ILE A 81 -5.779 -12.443 -2.974 1.00 0.56 C ATOM 0 H ILE A 81 -2.831 -14.399 -3.967 1.00 0.38 H new ATOM 0 HA ILE A 81 -4.636 -14.875 -2.049 1.00 0.38 H new ATOM 0 HB ILE A 81 -4.966 -15.081 -5.076 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -4.037 -12.958 -4.081 1.00 0.33 H new ATOM 0 HG13 ILE A 81 -5.482 -12.773 -5.054 1.00 0.33 H new ATOM 0 HG21 ILE A 81 -7.346 -14.576 -4.751 1.00 0.40 H new ATOM 0 HG22 ILE A 81 -6.885 -16.135 -4.025 1.00 0.40 H new ATOM 0 HG23 ILE A 81 -7.128 -14.707 -2.990 1.00 0.40 H new ATOM 0 HD11 ILE A 81 -5.584 -11.374 -3.061 1.00 0.56 H new ATOM 0 HD12 ILE A 81 -6.854 -12.620 -3.014 1.00 0.56 H new ATOM 0 HD13 ILE A 81 -5.386 -12.807 -2.025 1.00 0.56 H new ATOM 741 N GLN A 82 -4.074 -17.654 -3.640 1.00 0.92 N ATOM 742 CA GLN A 82 -4.312 -19.092 -3.687 1.00 0.92 C ATOM 743 C GLN A 82 -5.696 -19.366 -4.229 1.00 0.93 C ATOM 744 O GLN A 82 -5.858 -19.838 -5.356 1.00 1.11 O ATOM 745 CB GLN A 82 -4.170 -19.731 -2.305 1.00 0.98 C ATOM 746 CG GLN A 82 -3.705 -21.178 -2.355 1.00 1.54 C ATOM 747 CD GLN A 82 -4.609 -22.089 -3.180 1.00 1.78 C ATOM 748 OE1 GLN A 82 -5.904 -21.778 -3.239 1.00 2.55 O flip ATOM 749 NE2 GLN A 82 -4.144 -23.069 -3.762 1.00 1.43 N flip ATOM 0 H GLN A 82 -3.297 -17.347 -4.225 1.00 0.92 H new ATOM 0 HA GLN A 82 -3.562 -19.532 -4.344 1.00 0.92 H new ATOM 0 HB2 GLN A 82 -3.462 -19.149 -1.715 1.00 0.98 H new ATOM 0 HB3 GLN A 82 -5.129 -19.683 -1.790 1.00 0.98 H new ATOM 0 HG2 GLN A 82 -2.697 -21.211 -2.768 1.00 1.54 H new ATOM 0 HG3 GLN A 82 -3.645 -21.566 -1.338 1.00 1.54 H new ATOM 0 HE21 GLN A 82 -3.148 -23.277 -3.695 1.00 1.43 H new ATOM 0 HE22 GLN A 82 -4.755 -23.673 -4.312 1.00 1.43 H new ATOM 758 N GLN A 83 -6.688 -19.075 -3.403 1.00 0.85 N ATOM 759 CA GLN A 83 -8.075 -19.264 -3.769 1.00 0.93 C ATOM 760 C GLN A 83 -8.296 -18.638 -5.130 1.00 0.96 C ATOM 761 O GLN A 83 -7.553 -17.742 -5.533 1.00 1.85 O ATOM 762 CB GLN A 83 -9.006 -18.640 -2.725 1.00 0.93 C ATOM 763 CG GLN A 83 -9.979 -19.630 -2.110 1.00 1.39 C ATOM 764 CD GLN A 83 -11.045 -20.055 -3.095 1.00 2.06 C ATOM 765 OE1 GLN A 83 -11.372 -19.162 -4.022 1.00 2.56 O flip ATOM 766 NE2 GLN A 83 -11.567 -21.169 -3.027 1.00 2.55 N flip ATOM 0 H GLN A 83 -6.551 -18.702 -2.463 1.00 0.85 H new ATOM 0 HA GLN A 83 -8.304 -20.329 -3.809 1.00 0.93 H new ATOM 0 HB2 GLN A 83 -8.404 -18.195 -1.933 1.00 0.93 H new ATOM 0 HB3 GLN A 83 -9.569 -17.831 -3.190 1.00 0.93 H new ATOM 0 HG2 GLN A 83 -9.434 -20.508 -1.763 1.00 1.39 H new ATOM 0 HG3 GLN A 83 -10.450 -19.181 -1.236 1.00 1.39 H new ATOM 0 HE21 GLN A 83 -11.283 -21.822 -2.297 1.00 2.55 H new ATOM 0 HE22 GLN A 83 -12.283 -21.439 -3.701 1.00 2.55 H new ATOM 775 N MET A 84 -9.306 -19.091 -5.838 1.00 0.95 N ATOM 776 CA MET A 84 -9.546 -18.576 -7.168 1.00 0.91 C ATOM 777 C MET A 84 -10.940 -17.976 -7.325 1.00 0.86 C ATOM 778 O MET A 84 -11.116 -17.000 -8.055 1.00 0.93 O ATOM 779 CB MET A 84 -9.290 -19.691 -8.165 1.00 1.14 C ATOM 780 CG MET A 84 -9.710 -21.053 -7.653 1.00 1.34 C ATOM 781 SD MET A 84 -10.291 -22.150 -8.962 1.00 1.97 S ATOM 782 CE MET A 84 -11.751 -21.275 -9.521 1.00 2.71 C ATOM 0 H MET A 84 -9.965 -19.803 -5.523 1.00 0.95 H new ATOM 0 HA MET A 84 -8.860 -17.750 -7.357 1.00 0.91 H new ATOM 0 HB2 MET A 84 -9.827 -19.475 -9.089 1.00 1.14 H new ATOM 0 HB3 MET A 84 -8.228 -19.713 -8.411 1.00 1.14 H new ATOM 0 HG2 MET A 84 -8.867 -21.519 -7.143 1.00 1.34 H new ATOM 0 HG3 MET A 84 -10.501 -20.929 -6.913 1.00 1.34 H new ATOM 0 HE1 MET A 84 -12.475 -21.989 -9.913 1.00 2.71 H new ATOM 0 HE2 MET A 84 -12.192 -20.732 -8.685 1.00 2.71 H new ATOM 0 HE3 MET A 84 -11.475 -20.571 -10.306 1.00 2.71 H new ATOM 792 N ARG A 85 -11.931 -18.550 -6.651 1.00 0.91 N ATOM 793 CA ARG A 85 -13.288 -18.015 -6.714 1.00 0.92 C ATOM 794 C ARG A 85 -13.446 -16.915 -5.668 1.00 0.87 C ATOM 795 O ARG A 85 -14.544 -16.649 -5.177 1.00 1.16 O ATOM 796 CB ARG A 85 -14.329 -19.121 -6.502 1.00 1.03 C ATOM 797 CG ARG A 85 -14.213 -19.835 -5.165 1.00 1.44 C ATOM 798 CD ARG A 85 -15.254 -20.935 -5.029 1.00 1.51 C ATOM 799 NE ARG A 85 -15.130 -21.655 -3.765 1.00 1.72 N ATOM 800 CZ ARG A 85 -15.859 -22.720 -3.448 1.00 1.89 C ATOM 801 NH1 ARG A 85 -16.762 -23.190 -4.299 1.00 1.65 N ATOM 802 NH2 ARG A 85 -15.685 -23.319 -2.277 1.00 2.78 N ATOM 0 H ARG A 85 -11.824 -19.375 -6.061 1.00 0.91 H new ATOM 0 HA ARG A 85 -13.456 -17.595 -7.706 1.00 0.92 H new ATOM 0 HB2 ARG A 85 -15.326 -18.688 -6.585 1.00 1.03 H new ATOM 0 HB3 ARG A 85 -14.233 -19.854 -7.303 1.00 1.03 H new ATOM 0 HG2 ARG A 85 -13.215 -20.262 -5.065 1.00 1.44 H new ATOM 0 HG3 ARG A 85 -14.334 -19.115 -4.355 1.00 1.44 H new ATOM 0 HD2 ARG A 85 -16.251 -20.501 -5.102 1.00 1.51 H new ATOM 0 HD3 ARG A 85 -15.150 -21.636 -5.857 1.00 1.51 H new ATOM 0 HE ARG A 85 -14.445 -21.322 -3.087 1.00 1.72 H new ATOM 0 HH11 ARG A 85 -16.899 -22.734 -5.201 1.00 1.65 H new ATOM 0 HH12 ARG A 85 -17.319 -24.008 -4.051 1.00 1.65 H new ATOM 0 HH21 ARG A 85 -14.992 -22.962 -1.620 1.00 2.78 H new ATOM 0 HH22 ARG A 85 -16.245 -24.136 -2.034 1.00 2.78 H new ATOM 816 N ASN A 86 -12.320 -16.284 -5.344 1.00 0.63 N ATOM 817 CA ASN A 86 -12.266 -15.211 -4.355 1.00 0.62 C ATOM 818 C ASN A 86 -11.482 -14.015 -4.895 1.00 0.53 C ATOM 819 O ASN A 86 -11.728 -12.874 -4.507 1.00 0.53 O ATOM 820 CB ASN A 86 -11.561 -15.715 -3.097 1.00 0.78 C ATOM 821 CG ASN A 86 -10.059 -15.689 -3.269 1.00 1.65 C ATOM 822 OD1 ASN A 86 -9.586 -16.221 -4.390 1.00 2.49 O flip ATOM 823 ND2 ASN A 86 -9.331 -15.198 -2.411 1.00 1.68 N flip ATOM 0 H ASN A 86 -11.416 -16.504 -5.762 1.00 0.63 H new ATOM 0 HA ASN A 86 -13.287 -14.903 -4.129 1.00 0.62 H new ATOM 0 HB2 ASN A 86 -11.844 -15.096 -2.245 1.00 0.78 H new ATOM 0 HB3 ASN A 86 -11.888 -16.731 -2.875 1.00 0.78 H new ATOM 0 HD21 ASN A 86 -9.737 -14.800 -1.564 1.00 1.68 H new ATOM 0 HD22 ASN A 86 -8.320 -15.188 -2.545 1.00 1.68 H new ATOM 830 N LYS A 87 -10.522 -14.302 -5.779 1.00 0.53 N ATOM 831 CA LYS A 87 -9.666 -13.279 -6.368 1.00 0.56 C ATOM 832 C LYS A 87 -10.446 -12.022 -6.694 1.00 0.45 C ATOM 833 O LYS A 87 -10.059 -10.927 -6.309 1.00 0.40 O ATOM 834 CB LYS A 87 -8.997 -13.819 -7.629 1.00 0.71 C ATOM 835 CG LYS A 87 -7.487 -13.896 -7.526 1.00 1.06 C ATOM 836 CD LYS A 87 -6.933 -14.938 -8.477 1.00 1.59 C ATOM 837 CE LYS A 87 -5.554 -15.402 -8.048 1.00 1.84 C ATOM 838 NZ LYS A 87 -5.020 -16.460 -8.950 1.00 2.28 N ATOM 0 H LYS A 87 -10.320 -15.248 -6.103 1.00 0.53 H new ATOM 0 HA LYS A 87 -8.903 -13.019 -5.635 1.00 0.56 H new ATOM 0 HB2 LYS A 87 -9.390 -14.813 -7.842 1.00 0.71 H new ATOM 0 HB3 LYS A 87 -9.264 -13.183 -8.473 1.00 0.71 H new ATOM 0 HG2 LYS A 87 -7.053 -12.922 -7.754 1.00 1.06 H new ATOM 0 HG3 LYS A 87 -7.200 -14.142 -6.504 1.00 1.06 H new ATOM 0 HD2 LYS A 87 -7.609 -15.792 -8.518 1.00 1.59 H new ATOM 0 HD3 LYS A 87 -6.882 -14.523 -9.484 1.00 1.59 H new ATOM 0 HE2 LYS A 87 -4.871 -14.553 -8.040 1.00 1.84 H new ATOM 0 HE3 LYS A 87 -5.600 -15.783 -7.028 1.00 1.84 H new ATOM 0 HZ1 LYS A 87 -4.076 -16.751 -8.624 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -5.658 -17.281 -8.938 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -4.952 -16.088 -9.919 1.00 2.28 H new ATOM 852 N PHE A 88 -11.557 -12.188 -7.383 1.00 0.43 N ATOM 853 CA PHE A 88 -12.375 -11.048 -7.758 1.00 0.38 C ATOM 854 C PHE A 88 -12.777 -10.252 -6.523 1.00 0.31 C ATOM 855 O PHE A 88 -12.629 -9.037 -6.493 1.00 0.29 O ATOM 856 CB PHE A 88 -13.617 -11.501 -8.526 1.00 0.41 C ATOM 857 CG PHE A 88 -13.304 -12.217 -9.808 1.00 1.01 C ATOM 858 CD1 PHE A 88 -12.897 -11.511 -10.929 1.00 1.44 C ATOM 859 CD2 PHE A 88 -13.416 -13.596 -9.893 1.00 1.34 C ATOM 860 CE1 PHE A 88 -12.608 -12.167 -12.110 1.00 2.19 C ATOM 861 CE2 PHE A 88 -13.129 -14.257 -11.071 1.00 2.07 C ATOM 862 CZ PHE A 88 -12.725 -13.544 -12.181 1.00 2.49 C ATOM 0 H PHE A 88 -11.913 -13.092 -7.693 1.00 0.43 H new ATOM 0 HA PHE A 88 -11.784 -10.405 -8.410 1.00 0.38 H new ATOM 0 HB2 PHE A 88 -14.209 -12.158 -7.888 1.00 0.41 H new ATOM 0 HB3 PHE A 88 -14.234 -10.630 -8.747 1.00 0.41 H new ATOM 0 HD1 PHE A 88 -12.805 -10.436 -10.879 1.00 1.44 H new ATOM 0 HD2 PHE A 88 -13.731 -14.160 -9.028 1.00 1.34 H new ATOM 0 HE1 PHE A 88 -12.291 -11.606 -12.977 1.00 2.19 H new ATOM 0 HE2 PHE A 88 -13.221 -15.332 -11.123 1.00 2.07 H new ATOM 0 HZ PHE A 88 -12.501 -14.059 -13.103 1.00 2.49 H new ATOM 872 N ALA A 89 -13.274 -10.941 -5.507 1.00 0.31 N ATOM 873 CA ALA A 89 -13.686 -10.289 -4.268 1.00 0.29 C ATOM 874 C ALA A 89 -12.610 -9.335 -3.734 1.00 0.26 C ATOM 875 O ALA A 89 -12.788 -8.115 -3.739 1.00 0.27 O ATOM 876 CB ALA A 89 -14.031 -11.338 -3.221 1.00 0.35 C ATOM 0 H ALA A 89 -13.403 -11.953 -5.514 1.00 0.31 H new ATOM 0 HA ALA A 89 -14.569 -9.689 -4.486 1.00 0.29 H new ATOM 0 HB1 ALA A 89 -14.338 -10.844 -2.299 1.00 0.35 H new ATOM 0 HB2 ALA A 89 -14.846 -11.963 -3.587 1.00 0.35 H new ATOM 0 HB3 ALA A 89 -13.157 -11.959 -3.027 1.00 0.35 H new ATOM 882 N PHE A 90 -11.493 -9.899 -3.285 1.00 0.24 N ATOM 883 CA PHE A 90 -10.393 -9.113 -2.722 1.00 0.24 C ATOM 884 C PHE A 90 -9.706 -8.212 -3.744 1.00 0.21 C ATOM 885 O PHE A 90 -9.534 -7.019 -3.500 1.00 0.22 O ATOM 886 CB PHE A 90 -9.347 -10.047 -2.111 1.00 0.26 C ATOM 887 CG PHE A 90 -8.169 -9.319 -1.529 1.00 0.23 C ATOM 888 CD1 PHE A 90 -8.278 -8.647 -0.321 1.00 0.28 C ATOM 889 CD2 PHE A 90 -6.955 -9.297 -2.195 1.00 0.27 C ATOM 890 CE1 PHE A 90 -7.199 -7.967 0.209 1.00 0.27 C ATOM 891 CE2 PHE A 90 -5.873 -8.620 -1.669 1.00 0.28 C ATOM 892 CZ PHE A 90 -5.994 -7.953 -0.467 1.00 0.23 C ATOM 0 H PHE A 90 -11.322 -10.905 -3.299 1.00 0.24 H new ATOM 0 HA PHE A 90 -10.837 -8.468 -1.964 1.00 0.24 H new ATOM 0 HB2 PHE A 90 -9.816 -10.646 -1.331 1.00 0.26 H new ATOM 0 HB3 PHE A 90 -8.996 -10.739 -2.877 1.00 0.26 H new ATOM 0 HD1 PHE A 90 -9.218 -8.655 0.212 1.00 0.28 H new ATOM 0 HD2 PHE A 90 -6.854 -9.816 -3.137 1.00 0.27 H new ATOM 0 HE1 PHE A 90 -7.297 -7.447 1.150 1.00 0.27 H new ATOM 0 HE2 PHE A 90 -4.932 -8.612 -2.198 1.00 0.28 H new ATOM 0 HZ PHE A 90 -5.149 -7.421 -0.056 1.00 0.23 H new ATOM 902 N ARG A 91 -9.324 -8.773 -4.886 1.00 0.19 N ATOM 903 CA ARG A 91 -8.598 -8.016 -5.896 1.00 0.21 C ATOM 904 C ARG A 91 -9.399 -6.797 -6.360 1.00 0.20 C ATOM 905 O ARG A 91 -8.863 -5.692 -6.434 1.00 0.19 O ATOM 906 CB ARG A 91 -8.242 -8.931 -7.070 1.00 0.25 C ATOM 907 CG ARG A 91 -6.836 -8.729 -7.621 1.00 0.34 C ATOM 908 CD ARG A 91 -6.554 -7.271 -7.956 1.00 1.15 C ATOM 909 NE ARG A 91 -7.466 -6.754 -8.972 1.00 1.75 N ATOM 910 CZ ARG A 91 -7.151 -5.779 -9.821 1.00 2.52 C ATOM 911 NH1 ARG A 91 -5.947 -5.223 -9.779 1.00 2.91 N ATOM 912 NH2 ARG A 91 -8.038 -5.362 -10.712 1.00 3.34 N ATOM 0 H ARG A 91 -9.505 -9.746 -5.134 1.00 0.19 H new ATOM 0 HA ARG A 91 -7.675 -7.640 -5.455 1.00 0.21 H new ATOM 0 HB2 ARG A 91 -8.349 -9.968 -6.752 1.00 0.25 H new ATOM 0 HB3 ARG A 91 -8.961 -8.768 -7.873 1.00 0.25 H new ATOM 0 HG2 ARG A 91 -6.107 -9.080 -6.890 1.00 0.34 H new ATOM 0 HG3 ARG A 91 -6.708 -9.337 -8.516 1.00 0.34 H new ATOM 0 HD2 ARG A 91 -6.640 -6.669 -7.052 1.00 1.15 H new ATOM 0 HD3 ARG A 91 -5.527 -7.172 -8.308 1.00 1.15 H new ATOM 0 HE ARG A 91 -8.398 -7.164 -9.035 1.00 1.75 H new ATOM 0 HH11 ARG A 91 -5.261 -5.543 -9.095 1.00 2.91 H new ATOM 0 HH12 ARG A 91 -5.707 -4.476 -10.431 1.00 2.91 H new ATOM 0 HH21 ARG A 91 -8.964 -5.788 -10.748 1.00 3.34 H new ATOM 0 HH22 ARG A 91 -7.795 -4.615 -11.362 1.00 3.34 H new ATOM 926 N GLU A 92 -10.676 -7.000 -6.676 1.00 0.25 N ATOM 927 CA GLU A 92 -11.528 -5.889 -7.104 1.00 0.27 C ATOM 928 C GLU A 92 -11.577 -4.828 -6.008 1.00 0.26 C ATOM 929 O GLU A 92 -11.593 -3.633 -6.296 1.00 0.25 O ATOM 930 CB GLU A 92 -12.945 -6.359 -7.464 1.00 0.32 C ATOM 931 CG GLU A 92 -13.890 -6.465 -6.277 1.00 1.17 C ATOM 932 CD GLU A 92 -15.264 -6.970 -6.673 1.00 1.97 C ATOM 933 OE1 GLU A 92 -15.466 -8.203 -6.675 1.00 2.58 O ATOM 934 OE2 GLU A 92 -16.139 -6.133 -6.981 1.00 2.25 O ATOM 0 H GLU A 92 -11.140 -7.908 -6.645 1.00 0.25 H new ATOM 0 HA GLU A 92 -11.094 -5.459 -8.007 1.00 0.27 H new ATOM 0 HB2 GLU A 92 -13.370 -5.668 -8.192 1.00 0.32 H new ATOM 0 HB3 GLU A 92 -12.880 -7.333 -7.950 1.00 0.32 H new ATOM 0 HG2 GLU A 92 -13.460 -7.136 -5.533 1.00 1.17 H new ATOM 0 HG3 GLU A 92 -13.988 -5.487 -5.806 1.00 1.17 H new ATOM 941 N ALA A 93 -11.607 -5.271 -4.750 1.00 0.26 N ATOM 942 CA ALA A 93 -11.617 -4.343 -3.625 1.00 0.26 C ATOM 943 C ALA A 93 -10.369 -3.472 -3.684 1.00 0.23 C ATOM 944 O ALA A 93 -10.418 -2.260 -3.448 1.00 0.22 O ATOM 945 CB ALA A 93 -11.685 -5.095 -2.304 1.00 0.29 C ATOM 0 H ALA A 93 -11.625 -6.257 -4.489 1.00 0.26 H new ATOM 0 HA ALA A 93 -12.502 -3.710 -3.691 1.00 0.26 H new ATOM 0 HB1 ALA A 93 -11.691 -4.382 -1.479 1.00 0.29 H new ATOM 0 HB2 ALA A 93 -12.595 -5.694 -2.273 1.00 0.29 H new ATOM 0 HB3 ALA A 93 -10.817 -5.748 -2.212 1.00 0.29 H new ATOM 951 N ILE A 94 -9.248 -4.107 -4.015 1.00 0.21 N ATOM 952 CA ILE A 94 -7.985 -3.401 -4.145 1.00 0.20 C ATOM 953 C ILE A 94 -8.118 -2.345 -5.222 1.00 0.19 C ATOM 954 O ILE A 94 -7.653 -1.215 -5.077 1.00 0.20 O ATOM 955 CB ILE A 94 -6.843 -4.338 -4.560 1.00 0.20 C ATOM 956 CG1 ILE A 94 -6.786 -5.571 -3.672 1.00 0.23 C ATOM 957 CG2 ILE A 94 -5.527 -3.596 -4.521 1.00 0.22 C ATOM 958 CD1 ILE A 94 -5.833 -6.616 -4.198 1.00 0.24 C ATOM 0 H ILE A 94 -9.192 -5.109 -4.197 1.00 0.21 H new ATOM 0 HA ILE A 94 -7.753 -2.966 -3.173 1.00 0.20 H new ATOM 0 HB ILE A 94 -7.033 -4.675 -5.579 1.00 0.20 H new ATOM 0 HG12 ILE A 94 -6.481 -5.278 -2.667 1.00 0.23 H new ATOM 0 HG13 ILE A 94 -7.784 -6.002 -3.589 1.00 0.23 H new ATOM 0 HG21 ILE A 94 -4.721 -4.268 -4.817 1.00 0.22 H new ATOM 0 HG22 ILE A 94 -5.565 -2.751 -5.208 1.00 0.22 H new ATOM 0 HG23 ILE A 94 -5.344 -3.233 -3.510 1.00 0.22 H new ATOM 0 HD11 ILE A 94 -5.829 -7.476 -3.528 1.00 0.24 H new ATOM 0 HD12 ILE A 94 -6.152 -6.932 -5.191 1.00 0.24 H new ATOM 0 HD13 ILE A 94 -4.829 -6.197 -4.255 1.00 0.24 H new ATOM 970 N ASN A 95 -8.762 -2.745 -6.309 1.00 0.20 N ATOM 971 CA ASN A 95 -8.986 -1.867 -7.436 1.00 0.21 C ATOM 972 C ASN A 95 -9.769 -0.638 -6.982 1.00 0.21 C ATOM 973 O ASN A 95 -9.434 0.484 -7.352 1.00 0.25 O ATOM 974 CB ASN A 95 -9.726 -2.630 -8.539 1.00 0.23 C ATOM 975 CG ASN A 95 -10.773 -1.789 -9.228 1.00 0.26 C ATOM 976 OD1 ASN A 95 -11.890 -1.615 -8.548 1.00 0.33 O flip ATOM 977 ND2 ASN A 95 -10.572 -1.293 -10.336 1.00 0.24 N flip ATOM 0 H ASN A 95 -9.141 -3.684 -6.429 1.00 0.20 H new ATOM 0 HA ASN A 95 -8.033 -1.527 -7.840 1.00 0.21 H new ATOM 0 HB2 ASN A 95 -9.006 -2.983 -9.277 1.00 0.23 H new ATOM 0 HB3 ASN A 95 -10.200 -3.513 -8.109 1.00 0.23 H new ATOM 0 HD21 ASN A 95 -9.688 -1.461 -10.817 1.00 0.24 H new ATOM 0 HD22 ASN A 95 -11.289 -0.714 -10.773 1.00 0.24 H new ATOM 984 N LYS A 96 -10.816 -0.855 -6.178 1.00 0.20 N ATOM 985 CA LYS A 96 -11.615 0.246 -5.655 1.00 0.20 C ATOM 986 C LYS A 96 -10.702 1.315 -5.077 1.00 0.19 C ATOM 987 O LYS A 96 -10.881 2.507 -5.327 1.00 0.20 O ATOM 988 CB LYS A 96 -12.571 -0.262 -4.575 1.00 0.24 C ATOM 989 CG LYS A 96 -13.962 -0.579 -5.091 1.00 0.34 C ATOM 990 CD LYS A 96 -13.929 -1.531 -6.270 1.00 0.76 C ATOM 991 CE LYS A 96 -15.307 -1.699 -6.860 1.00 0.75 C ATOM 992 NZ LYS A 96 -16.144 -2.638 -6.063 1.00 1.64 N ATOM 0 H LYS A 96 -11.124 -1.780 -5.880 1.00 0.20 H new ATOM 0 HA LYS A 96 -12.200 0.675 -6.468 1.00 0.20 H new ATOM 0 HB2 LYS A 96 -12.149 -1.158 -4.121 1.00 0.24 H new ATOM 0 HB3 LYS A 96 -12.647 0.488 -3.788 1.00 0.24 H new ATOM 0 HG2 LYS A 96 -14.555 -1.017 -4.288 1.00 0.34 H new ATOM 0 HG3 LYS A 96 -14.458 0.346 -5.386 1.00 0.34 H new ATOM 0 HD2 LYS A 96 -13.246 -1.152 -7.031 1.00 0.76 H new ATOM 0 HD3 LYS A 96 -13.544 -2.500 -5.951 1.00 0.76 H new ATOM 0 HE2 LYS A 96 -15.800 -0.728 -6.912 1.00 0.75 H new ATOM 0 HE3 LYS A 96 -15.221 -2.068 -7.882 1.00 0.75 H new ATOM 0 HZ1 LYS A 96 -17.083 -2.725 -6.503 1.00 1.64 H new ATOM 0 HZ2 LYS A 96 -15.687 -3.572 -6.035 1.00 1.64 H new ATOM 0 HZ3 LYS A 96 -16.248 -2.274 -5.094 1.00 1.64 H new ATOM 1006 N LEU A 97 -9.723 0.871 -4.297 1.00 0.21 N ATOM 1007 CA LEU A 97 -8.756 1.780 -3.699 1.00 0.22 C ATOM 1008 C LEU A 97 -7.993 2.522 -4.789 1.00 0.21 C ATOM 1009 O LEU A 97 -7.796 3.726 -4.699 1.00 0.25 O ATOM 1010 CB LEU A 97 -7.776 1.000 -2.809 1.00 0.25 C ATOM 1011 CG LEU A 97 -6.343 1.555 -2.742 1.00 0.38 C ATOM 1012 CD1 LEU A 97 -6.226 2.627 -1.676 1.00 0.52 C ATOM 1013 CD2 LEU A 97 -5.351 0.438 -2.466 1.00 0.62 C ATOM 0 H LEU A 97 -9.579 -0.112 -4.065 1.00 0.21 H new ATOM 0 HA LEU A 97 -9.289 2.505 -3.084 1.00 0.22 H new ATOM 0 HB2 LEU A 97 -8.180 0.968 -1.797 1.00 0.25 H new ATOM 0 HB3 LEU A 97 -7.730 -0.029 -3.167 1.00 0.25 H new ATOM 0 HG LEU A 97 -6.111 2.002 -3.709 1.00 0.38 H new ATOM 0 HD11 LEU A 97 -5.203 3.003 -1.649 1.00 0.52 H new ATOM 0 HD12 LEU A 97 -6.908 3.446 -1.907 1.00 0.52 H new ATOM 0 HD13 LEU A 97 -6.483 2.204 -0.705 1.00 0.52 H new ATOM 0 HD21 LEU A 97 -4.343 0.850 -2.422 1.00 0.62 H new ATOM 0 HD22 LEU A 97 -5.592 -0.035 -1.514 1.00 0.62 H new ATOM 0 HD23 LEU A 97 -5.406 -0.303 -3.264 1.00 0.62 H new ATOM 1025 N GLU A 98 -7.641 1.793 -5.846 1.00 0.18 N ATOM 1026 CA GLU A 98 -6.859 2.336 -6.960 1.00 0.19 C ATOM 1027 C GLU A 98 -7.520 3.571 -7.561 1.00 0.17 C ATOM 1028 O GLU A 98 -6.938 4.655 -7.560 1.00 0.20 O ATOM 1029 CB GLU A 98 -6.695 1.271 -8.042 1.00 0.21 C ATOM 1030 CG GLU A 98 -5.566 1.551 -9.018 1.00 0.27 C ATOM 1031 CD GLU A 98 -5.798 2.792 -9.858 1.00 0.88 C ATOM 1032 OE1 GLU A 98 -6.654 2.743 -10.765 1.00 1.87 O ATOM 1033 OE2 GLU A 98 -5.125 3.812 -9.603 1.00 0.96 O ATOM 0 H GLU A 98 -7.889 0.810 -5.956 1.00 0.18 H new ATOM 0 HA GLU A 98 -5.884 2.628 -6.571 1.00 0.19 H new ATOM 0 HB2 GLU A 98 -6.518 0.307 -7.565 1.00 0.21 H new ATOM 0 HB3 GLU A 98 -7.629 1.185 -8.598 1.00 0.21 H new ATOM 0 HG2 GLU A 98 -4.634 1.664 -8.463 1.00 0.27 H new ATOM 0 HG3 GLU A 98 -5.442 0.692 -9.677 1.00 0.27 H new ATOM 1040 N ASN A 99 -8.730 3.401 -8.082 1.00 0.16 N ATOM 1041 CA ASN A 99 -9.456 4.512 -8.670 1.00 0.17 C ATOM 1042 C ASN A 99 -9.688 5.589 -7.625 1.00 0.21 C ATOM 1043 O ASN A 99 -9.676 6.778 -7.942 1.00 0.44 O ATOM 1044 CB ASN A 99 -10.773 4.028 -9.268 1.00 0.22 C ATOM 1045 CG ASN A 99 -11.317 2.810 -8.556 1.00 1.00 C ATOM 1046 OD1 ASN A 99 -12.096 2.919 -7.609 1.00 2.12 O ATOM 1047 ND2 ASN A 99 -10.904 1.637 -9.018 1.00 0.62 N ATOM 0 H ASN A 99 -9.223 2.509 -8.108 1.00 0.16 H new ATOM 0 HA ASN A 99 -8.862 4.942 -9.477 1.00 0.17 H new ATOM 0 HB2 ASN A 99 -11.508 4.832 -9.220 1.00 0.22 H new ATOM 0 HB3 ASN A 99 -10.626 3.793 -10.322 1.00 0.22 H new ATOM 0 HD21 ASN A 99 -11.233 0.774 -8.585 1.00 0.62 H new ATOM 0 HD22 ASN A 99 -10.257 1.598 -9.806 1.00 0.62 H new ATOM 1054 N ASN A 100 -9.915 5.180 -6.379 1.00 0.17 N ATOM 1055 CA ASN A 100 -10.091 6.138 -5.312 1.00 0.16 C ATOM 1056 C ASN A 100 -8.840 7.006 -5.216 1.00 0.16 C ATOM 1057 O ASN A 100 -8.926 8.193 -4.911 1.00 0.21 O ATOM 1058 CB ASN A 100 -10.384 5.421 -3.993 1.00 0.19 C ATOM 1059 CG ASN A 100 -9.687 6.063 -2.821 1.00 0.18 C ATOM 1060 OD1 ASN A 100 -8.494 5.578 -2.527 1.00 0.26 O flip ATOM 1061 ND2 ASN A 100 -10.213 6.979 -2.187 1.00 0.21 N flip ATOM 0 H ASN A 100 -9.979 4.203 -6.094 1.00 0.17 H new ATOM 0 HA ASN A 100 -10.946 6.780 -5.525 1.00 0.16 H new ATOM 0 HB2 ASN A 100 -11.459 5.419 -3.815 1.00 0.19 H new ATOM 0 HB3 ASN A 100 -10.072 4.380 -4.072 1.00 0.19 H new ATOM 0 HD21 ASN A 100 -11.137 7.319 -2.454 1.00 0.21 H new ATOM 0 HD22 ASN A 100 -9.724 7.398 -1.395 1.00 0.21 H new ATOM 1068 N LEU A 101 -7.674 6.404 -5.487 1.00 0.19 N ATOM 1069 CA LEU A 101 -6.418 7.145 -5.482 1.00 0.25 C ATOM 1070 C LEU A 101 -6.400 8.064 -6.696 1.00 0.23 C ATOM 1071 O LEU A 101 -5.991 9.221 -6.621 1.00 0.25 O ATOM 1072 CB LEU A 101 -5.203 6.200 -5.542 1.00 0.32 C ATOM 1073 CG LEU A 101 -5.278 4.938 -4.673 1.00 0.42 C ATOM 1074 CD1 LEU A 101 -3.965 4.190 -4.679 1.00 0.32 C ATOM 1075 CD2 LEU A 101 -5.666 5.274 -3.253 1.00 0.58 C ATOM 0 H LEU A 101 -7.580 5.413 -5.710 1.00 0.19 H new ATOM 0 HA LEU A 101 -6.351 7.716 -4.556 1.00 0.25 H new ATOM 0 HB2 LEU A 101 -5.059 5.894 -6.578 1.00 0.32 H new ATOM 0 HB3 LEU A 101 -4.317 6.764 -5.250 1.00 0.32 H new ATOM 0 HG LEU A 101 -6.047 4.297 -5.104 1.00 0.42 H new ATOM 0 HD11 LEU A 101 -4.050 3.301 -4.054 1.00 0.32 H new ATOM 0 HD12 LEU A 101 -3.719 3.895 -5.699 1.00 0.32 H new ATOM 0 HD13 LEU A 101 -3.177 4.834 -4.288 1.00 0.32 H new ATOM 0 HD21 LEU A 101 -5.711 4.359 -2.662 1.00 0.58 H new ATOM 0 HD22 LEU A 101 -4.925 5.948 -2.823 1.00 0.58 H new ATOM 0 HD23 LEU A 101 -6.643 5.758 -3.247 1.00 0.58 H new ATOM 1087 N ARG A 102 -6.865 7.515 -7.816 1.00 0.22 N ATOM 1088 CA ARG A 102 -6.935 8.239 -9.080 1.00 0.23 C ATOM 1089 C ARG A 102 -7.704 9.548 -8.932 1.00 0.24 C ATOM 1090 O ARG A 102 -7.248 10.597 -9.387 1.00 0.34 O ATOM 1091 CB ARG A 102 -7.605 7.356 -10.137 1.00 0.25 C ATOM 1092 CG ARG A 102 -6.709 6.253 -10.673 1.00 0.29 C ATOM 1093 CD ARG A 102 -7.311 5.605 -11.909 1.00 0.38 C ATOM 1094 NE ARG A 102 -6.371 4.700 -12.566 1.00 0.97 N ATOM 1095 CZ ARG A 102 -6.688 3.942 -13.613 1.00 1.26 C ATOM 1096 NH1 ARG A 102 -7.914 3.976 -14.114 1.00 1.25 N ATOM 1097 NH2 ARG A 102 -5.777 3.148 -14.158 1.00 2.09 N ATOM 0 H ARG A 102 -7.204 6.555 -7.871 1.00 0.22 H new ATOM 0 HA ARG A 102 -5.919 8.483 -9.391 1.00 0.23 H new ATOM 0 HB2 ARG A 102 -8.500 6.907 -9.707 1.00 0.25 H new ATOM 0 HB3 ARG A 102 -7.930 7.983 -10.967 1.00 0.25 H new ATOM 0 HG2 ARG A 102 -5.729 6.663 -10.916 1.00 0.29 H new ATOM 0 HG3 ARG A 102 -6.557 5.498 -9.902 1.00 0.29 H new ATOM 0 HD2 ARG A 102 -8.209 5.054 -11.629 1.00 0.38 H new ATOM 0 HD3 ARG A 102 -7.619 6.380 -12.611 1.00 0.38 H new ATOM 0 HE ARG A 102 -5.420 4.646 -12.202 1.00 0.97 H new ATOM 0 HH11 ARG A 102 -8.619 4.585 -13.697 1.00 1.25 H new ATOM 0 HH12 ARG A 102 -8.153 3.394 -14.917 1.00 1.25 H new ATOM 0 HH21 ARG A 102 -4.832 3.118 -13.775 1.00 2.09 H new ATOM 0 HH22 ARG A 102 -6.021 2.567 -14.960 1.00 2.09 H new ATOM 1111 N GLU A 103 -8.870 9.487 -8.300 1.00 0.24 N ATOM 1112 CA GLU A 103 -9.691 10.676 -8.096 1.00 0.24 C ATOM 1113 C GLU A 103 -9.159 11.504 -6.930 1.00 0.24 C ATOM 1114 O GLU A 103 -9.392 12.710 -6.854 1.00 0.25 O ATOM 1115 CB GLU A 103 -11.143 10.272 -7.832 1.00 0.26 C ATOM 1116 CG GLU A 103 -12.081 11.451 -7.637 1.00 0.34 C ATOM 1117 CD GLU A 103 -13.497 11.019 -7.307 1.00 1.36 C ATOM 1118 OE1 GLU A 103 -14.282 10.786 -8.250 1.00 1.82 O ATOM 1119 OE2 GLU A 103 -13.821 10.917 -6.105 1.00 2.32 O ATOM 0 H GLU A 103 -9.269 8.628 -7.920 1.00 0.24 H new ATOM 0 HA GLU A 103 -9.648 11.284 -9.000 1.00 0.24 H new ATOM 0 HB2 GLU A 103 -11.500 9.669 -8.667 1.00 0.26 H new ATOM 0 HB3 GLU A 103 -11.179 9.640 -6.945 1.00 0.26 H new ATOM 0 HG2 GLU A 103 -11.702 12.084 -6.835 1.00 0.34 H new ATOM 0 HG3 GLU A 103 -12.091 12.057 -8.543 1.00 0.34 H new ATOM 1126 N LEU A 104 -8.440 10.846 -6.027 1.00 0.24 N ATOM 1127 CA LEU A 104 -7.876 11.507 -4.859 1.00 0.25 C ATOM 1128 C LEU A 104 -6.685 12.380 -5.237 1.00 0.29 C ATOM 1129 O LEU A 104 -6.256 13.230 -4.456 1.00 0.31 O ATOM 1130 CB LEU A 104 -7.455 10.455 -3.838 1.00 0.24 C ATOM 1131 CG LEU A 104 -6.915 10.991 -2.525 1.00 0.24 C ATOM 1132 CD1 LEU A 104 -8.033 11.624 -1.733 1.00 0.29 C ATOM 1133 CD2 LEU A 104 -6.263 9.870 -1.740 1.00 0.24 C ATOM 0 H LEU A 104 -8.234 9.849 -6.084 1.00 0.24 H new ATOM 0 HA LEU A 104 -8.637 12.156 -4.426 1.00 0.25 H new ATOM 0 HB2 LEU A 104 -8.314 9.819 -3.624 1.00 0.24 H new ATOM 0 HB3 LEU A 104 -6.693 9.820 -4.291 1.00 0.24 H new ATOM 0 HG LEU A 104 -6.161 11.752 -2.726 1.00 0.24 H new ATOM 0 HD11 LEU A 104 -7.640 12.007 -0.791 1.00 0.29 H new ATOM 0 HD12 LEU A 104 -8.466 12.444 -2.306 1.00 0.29 H new ATOM 0 HD13 LEU A 104 -8.802 10.879 -1.529 1.00 0.29 H new ATOM 0 HD21 LEU A 104 -5.877 10.261 -0.799 1.00 0.24 H new ATOM 0 HD22 LEU A 104 -6.999 9.093 -1.535 1.00 0.24 H new ATOM 0 HD23 LEU A 104 -5.443 9.448 -2.321 1.00 0.24 H new ATOM 1145 N GLN A 105 -6.150 12.164 -6.438 1.00 0.40 N ATOM 1146 CA GLN A 105 -5.007 12.937 -6.917 1.00 0.51 C ATOM 1147 C GLN A 105 -5.263 14.429 -6.775 1.00 0.45 C ATOM 1148 O GLN A 105 -6.406 14.857 -6.606 1.00 1.00 O ATOM 1149 CB GLN A 105 -4.696 12.605 -8.378 1.00 0.86 C ATOM 1150 CG GLN A 105 -3.240 12.229 -8.618 1.00 0.44 C ATOM 1151 CD GLN A 105 -2.953 10.783 -8.278 1.00 1.31 C ATOM 1152 OE1 GLN A 105 -3.669 10.260 -7.296 1.00 2.04 O flip ATOM 1153 NE2 GLN A 105 -2.093 10.148 -8.888 1.00 1.38 N flip ATOM 0 H GLN A 105 -6.489 11.462 -7.095 1.00 0.40 H new ATOM 0 HA GLN A 105 -4.147 12.667 -6.304 1.00 0.51 H new ATOM 0 HB2 GLN A 105 -5.334 11.781 -8.699 1.00 0.86 H new ATOM 0 HB3 GLN A 105 -4.948 13.464 -8.999 1.00 0.86 H new ATOM 0 HG2 GLN A 105 -2.989 12.410 -9.663 1.00 0.44 H new ATOM 0 HG3 GLN A 105 -2.598 12.874 -8.019 1.00 0.44 H new ATOM 0 HE21 GLN A 105 -1.566 10.594 -9.639 1.00 1.38 H new ATOM 0 HE22 GLN A 105 -1.907 9.175 -8.643 1.00 1.38 H new ATOM 1162 N ILE A 106 -4.201 15.218 -6.848 1.00 0.92 N ATOM 1163 CA ILE A 106 -4.328 16.657 -6.716 1.00 1.05 C ATOM 1164 C ILE A 106 -5.272 17.224 -7.777 1.00 1.14 C ATOM 1165 O ILE A 106 -6.210 17.955 -7.452 1.00 1.10 O ATOM 1166 CB ILE A 106 -2.947 17.350 -6.790 1.00 1.36 C ATOM 1167 CG1 ILE A 106 -3.097 18.881 -6.715 1.00 1.47 C ATOM 1168 CG2 ILE A 106 -2.195 16.919 -8.046 1.00 1.69 C ATOM 1169 CD1 ILE A 106 -3.120 19.584 -8.059 1.00 1.68 C ATOM 0 H ILE A 106 -3.248 14.886 -6.997 1.00 0.92 H new ATOM 0 HA ILE A 106 -4.756 16.861 -5.734 1.00 1.05 H new ATOM 0 HB ILE A 106 -2.357 17.037 -5.928 1.00 1.36 H new ATOM 0 HG12 ILE A 106 -4.018 19.116 -6.182 1.00 1.47 H new ATOM 0 HG13 ILE A 106 -2.275 19.284 -6.124 1.00 1.47 H new ATOM 0 HG21 ILE A 106 -1.226 17.418 -8.079 1.00 1.69 H new ATOM 0 HG22 ILE A 106 -2.047 15.839 -8.029 1.00 1.69 H new ATOM 0 HG23 ILE A 106 -2.774 17.192 -8.928 1.00 1.69 H new ATOM 0 HD11 ILE A 106 -3.229 20.658 -7.906 1.00 1.68 H new ATOM 0 HD12 ILE A 106 -2.189 19.385 -8.590 1.00 1.68 H new ATOM 0 HD13 ILE A 106 -3.959 19.215 -8.648 1.00 1.68 H new ATOM 1181 N CYS A 107 -5.029 16.867 -9.038 1.00 1.38 N ATOM 1182 CA CYS A 107 -5.856 17.326 -10.156 1.00 1.64 C ATOM 1183 C CYS A 107 -5.818 18.851 -10.292 1.00 1.77 C ATOM 1184 O CYS A 107 -5.830 19.574 -9.296 1.00 1.96 O ATOM 1185 CB CYS A 107 -7.298 16.852 -9.977 1.00 2.06 C ATOM 1186 SG CYS A 107 -8.369 17.138 -11.406 1.00 2.44 S ATOM 0 H CYS A 107 -4.260 16.256 -9.313 1.00 1.38 H new ATOM 0 HA CYS A 107 -5.447 16.896 -11.070 1.00 1.64 H new ATOM 0 HB2 CYS A 107 -7.291 15.785 -9.753 1.00 2.06 H new ATOM 0 HB3 CYS A 107 -7.727 17.356 -9.111 1.00 2.06 H new ATOM 0 HG CYS A 107 -9.564 16.697 -11.147 1.00 2.44 H new ATOM 1192 N PRO A 108 -5.787 19.364 -11.535 1.00 1.98 N ATOM 1193 CA PRO A 108 -5.732 20.808 -11.791 1.00 2.37 C ATOM 1194 C PRO A 108 -6.917 21.552 -11.183 1.00 2.63 C ATOM 1195 O PRO A 108 -6.787 22.182 -10.132 1.00 3.01 O ATOM 1196 CB PRO A 108 -5.750 20.905 -13.323 1.00 2.57 C ATOM 1197 CG PRO A 108 -5.311 19.570 -13.799 1.00 2.52 C ATOM 1198 CD PRO A 108 -5.818 18.589 -12.783 1.00 2.13 C ATOM 0 HA PRO A 108 -4.854 21.269 -11.339 1.00 2.37 H new ATOM 0 HB2 PRO A 108 -6.747 21.147 -13.691 1.00 2.57 H new ATOM 0 HB3 PRO A 108 -5.081 21.689 -13.676 1.00 2.57 H new ATOM 0 HG2 PRO A 108 -5.716 19.354 -14.788 1.00 2.52 H new ATOM 0 HG3 PRO A 108 -4.225 19.522 -13.882 1.00 2.52 H new ATOM 0 HD2 PRO A 108 -6.825 18.245 -13.020 1.00 2.13 H new ATOM 0 HD3 PRO A 108 -5.185 17.704 -12.725 1.00 2.13 H new ATOM 1206 N ALA A 109 -8.070 21.468 -11.842 1.00 2.71 N ATOM 1207 CA ALA A 109 -9.277 22.135 -11.364 1.00 3.21 C ATOM 1208 C ALA A 109 -10.474 21.805 -12.245 1.00 3.80 C ATOM 1209 O ALA A 109 -11.467 22.532 -12.258 1.00 4.42 O ATOM 1210 CB ALA A 109 -9.070 23.637 -11.315 1.00 3.61 C ATOM 0 H ALA A 109 -8.193 20.944 -12.709 1.00 2.71 H new ATOM 0 HA ALA A 109 -9.481 21.771 -10.357 1.00 3.21 H new ATOM 0 HB1 ALA A 109 -9.980 24.118 -10.956 1.00 3.61 H new ATOM 0 HB2 ALA A 109 -8.247 23.869 -10.640 1.00 3.61 H new ATOM 0 HB3 ALA A 109 -8.835 24.005 -12.314 1.00 3.61 H new ATOM 1216 N THR A 110 -10.365 20.709 -12.987 1.00 3.73 N ATOM 1217 CA THR A 110 -11.432 20.271 -13.876 1.00 4.39 C ATOM 1218 C THR A 110 -12.783 20.271 -13.165 1.00 4.73 C ATOM 1219 O THR A 110 -13.757 20.833 -13.664 1.00 5.41 O ATOM 1220 CB THR A 110 -11.145 18.859 -14.421 1.00 4.40 C ATOM 1221 OG1 THR A 110 -9.952 18.874 -15.212 1.00 4.36 O ATOM 1222 CG2 THR A 110 -12.308 18.346 -15.259 1.00 5.18 C ATOM 0 H THR A 110 -9.543 20.105 -12.989 1.00 3.73 H new ATOM 0 HA THR A 110 -11.471 20.978 -14.705 1.00 4.39 H new ATOM 0 HB THR A 110 -11.013 18.190 -13.571 1.00 4.40 H new ATOM 0 HG1 THR A 110 -9.775 17.973 -15.554 1.00 4.36 H new ATOM 0 HG21 THR A 110 -12.077 17.348 -15.630 1.00 5.18 H new ATOM 0 HG22 THR A 110 -13.208 18.306 -14.646 1.00 5.18 H new ATOM 0 HG23 THR A 110 -12.473 19.017 -16.102 1.00 5.18 H new ATOM 1230 N ALA A 111 -12.832 19.637 -11.997 1.00 4.47 N ATOM 1231 CA ALA A 111 -14.057 19.564 -11.217 1.00 5.09 C ATOM 1232 C ALA A 111 -14.196 20.772 -10.295 1.00 5.25 C ATOM 1233 O ALA A 111 -14.737 20.667 -9.193 1.00 5.83 O ATOM 1234 CB ALA A 111 -14.095 18.274 -10.412 1.00 5.21 C ATOM 0 H ALA A 111 -12.034 19.166 -11.571 1.00 4.47 H new ATOM 0 HA ALA A 111 -14.899 19.571 -11.909 1.00 5.09 H new ATOM 0 HB1 ALA A 111 -15.018 18.233 -9.833 1.00 5.21 H new ATOM 0 HB2 ALA A 111 -14.054 17.421 -11.089 1.00 5.21 H new ATOM 0 HB3 ALA A 111 -13.241 18.242 -9.736 1.00 5.21 H new ATOM 1240 N GLY A 112 -13.704 21.919 -10.754 1.00 4.96 N ATOM 1241 CA GLY A 112 -13.779 23.131 -9.960 1.00 5.16 C ATOM 1242 C GLY A 112 -12.957 23.044 -8.689 1.00 4.51 C ATOM 1243 O GLY A 112 -13.464 22.637 -7.642 1.00 4.82 O ATOM 0 H GLY A 112 -13.254 22.030 -11.663 1.00 4.96 H new ATOM 0 HA2 GLY A 112 -13.432 23.974 -10.557 1.00 5.16 H new ATOM 0 HA3 GLY A 112 -14.820 23.329 -9.703 1.00 5.16 H new ATOM 1247 N SER A 113 -11.687 23.427 -8.778 1.00 4.00 N ATOM 1248 CA SER A 113 -10.795 23.388 -7.623 1.00 3.71 C ATOM 1249 C SER A 113 -10.069 24.717 -7.442 1.00 3.99 C ATOM 1250 O SER A 113 -9.141 25.034 -8.186 1.00 4.55 O ATOM 1251 CB SER A 113 -9.785 22.259 -7.772 1.00 3.97 C ATOM 1252 OG SER A 113 -8.928 22.185 -6.646 1.00 4.55 O ATOM 0 H SER A 113 -11.253 23.767 -9.636 1.00 4.00 H new ATOM 0 HA SER A 113 -11.403 23.208 -6.737 1.00 3.71 H new ATOM 0 HB2 SER A 113 -10.310 21.312 -7.895 1.00 3.97 H new ATOM 0 HB3 SER A 113 -9.192 22.415 -8.674 1.00 3.97 H new ATOM 0 HG SER A 113 -8.291 21.451 -6.768 1.00 4.55 H new ATOM 1258 N GLY A 114 -10.499 25.488 -6.448 1.00 3.89 N ATOM 1259 CA GLY A 114 -9.879 26.772 -6.182 1.00 4.42 C ATOM 1260 C GLY A 114 -10.090 27.226 -4.753 1.00 4.31 C ATOM 1261 O GLY A 114 -9.221 27.026 -3.904 1.00 4.31 O ATOM 0 H GLY A 114 -11.267 25.246 -5.822 1.00 3.89 H new ATOM 0 HA2 GLY A 114 -8.810 26.706 -6.386 1.00 4.42 H new ATOM 0 HA3 GLY A 114 -10.288 27.519 -6.862 1.00 4.42 H new ATOM 1265 N PRO A 115 -11.244 27.846 -4.456 1.00 4.52 N ATOM 1266 CA PRO A 115 -11.550 28.323 -3.109 1.00 4.49 C ATOM 1267 C PRO A 115 -11.869 27.176 -2.157 1.00 3.53 C ATOM 1268 O PRO A 115 -12.178 26.066 -2.593 1.00 3.40 O ATOM 1269 CB PRO A 115 -12.781 29.207 -3.319 1.00 5.18 C ATOM 1270 CG PRO A 115 -13.446 28.639 -4.523 1.00 5.57 C ATOM 1271 CD PRO A 115 -12.338 28.133 -5.407 1.00 5.13 C ATOM 0 HA PRO A 115 -10.709 28.847 -2.655 1.00 4.49 H new ATOM 0 HB2 PRO A 115 -13.441 29.181 -2.452 1.00 5.18 H new ATOM 0 HB3 PRO A 115 -12.500 30.249 -3.475 1.00 5.18 H new ATOM 0 HG2 PRO A 115 -14.126 27.833 -4.249 1.00 5.57 H new ATOM 0 HG3 PRO A 115 -14.039 29.396 -5.035 1.00 5.57 H new ATOM 0 HD2 PRO A 115 -12.638 27.240 -5.956 1.00 5.13 H new ATOM 0 HD3 PRO A 115 -12.042 28.877 -6.146 1.00 5.13 H new ATOM 1279 N ALA A 116 -11.789 27.449 -0.857 1.00 3.42 N ATOM 1280 CA ALA A 116 -12.072 26.436 0.158 1.00 3.13 C ATOM 1281 C ALA A 116 -11.162 25.224 -0.004 1.00 2.42 C ATOM 1282 O ALA A 116 -10.202 25.254 -0.775 1.00 2.54 O ATOM 1283 CB ALA A 116 -13.531 26.013 0.083 1.00 3.79 C ATOM 0 H ALA A 116 -11.531 28.362 -0.481 1.00 3.42 H new ATOM 0 HA ALA A 116 -11.878 26.874 1.137 1.00 3.13 H new ATOM 0 HB1 ALA A 116 -13.731 25.258 0.844 1.00 3.79 H new ATOM 0 HB2 ALA A 116 -14.170 26.879 0.255 1.00 3.79 H new ATOM 0 HB3 ALA A 116 -13.739 25.598 -0.903 1.00 3.79 H new ATOM 1289 N ALA A 117 -11.467 24.156 0.730 1.00 2.24 N ATOM 1290 CA ALA A 117 -10.683 22.934 0.661 1.00 2.23 C ATOM 1291 C ALA A 117 -11.564 21.744 0.300 1.00 1.90 C ATOM 1292 O ALA A 117 -11.301 21.043 -0.677 1.00 2.32 O ATOM 1293 CB ALA A 117 -9.969 22.684 1.982 1.00 2.68 C ATOM 0 H ALA A 117 -12.253 24.116 1.379 1.00 2.24 H new ATOM 0 HA ALA A 117 -9.934 23.054 -0.122 1.00 2.23 H new ATOM 0 HB1 ALA A 117 -9.387 21.765 1.913 1.00 2.68 H new ATOM 0 HB2 ALA A 117 -9.304 23.520 2.200 1.00 2.68 H new ATOM 0 HB3 ALA A 117 -10.705 22.588 2.781 1.00 2.68 H new ATOM 1299 N THR A 118 -12.618 21.535 1.091 1.00 1.67 N ATOM 1300 CA THR A 118 -13.545 20.424 0.877 1.00 1.39 C ATOM 1301 C THR A 118 -12.793 19.150 0.565 1.00 1.32 C ATOM 1302 O THR A 118 -12.567 18.807 -0.597 1.00 1.54 O ATOM 1303 CB THR A 118 -14.559 20.720 -0.245 1.00 1.63 C ATOM 1304 OG1 THR A 118 -13.880 21.193 -1.414 1.00 2.42 O ATOM 1305 CG2 THR A 118 -15.579 21.751 0.211 1.00 1.79 C ATOM 0 H THR A 118 -12.851 22.125 1.890 1.00 1.67 H new ATOM 0 HA THR A 118 -14.102 20.296 1.805 1.00 1.39 H new ATOM 0 HB THR A 118 -15.082 19.794 -0.485 1.00 1.63 H new ATOM 0 HG1 THR A 118 -12.939 20.922 -1.378 1.00 2.42 H new ATOM 0 HG21 THR A 118 -16.285 21.946 -0.596 1.00 1.79 H new ATOM 0 HG22 THR A 118 -16.116 21.371 1.080 1.00 1.79 H new ATOM 0 HG23 THR A 118 -15.067 22.676 0.476 1.00 1.79 H new ATOM 1313 N GLN A 119 -12.417 18.446 1.618 1.00 1.30 N ATOM 1314 CA GLN A 119 -11.659 17.231 1.475 1.00 1.36 C ATOM 1315 C GLN A 119 -12.014 16.192 2.538 1.00 1.15 C ATOM 1316 O GLN A 119 -11.354 16.085 3.571 1.00 1.41 O ATOM 1317 CB GLN A 119 -10.202 17.609 1.535 1.00 1.83 C ATOM 1318 CG GLN A 119 -9.836 18.403 2.767 1.00 1.69 C ATOM 1319 CD GLN A 119 -8.915 17.650 3.708 1.00 1.85 C ATOM 1320 OE1 GLN A 119 -8.078 16.782 3.151 1.00 2.35 O flip ATOM 1321 NE2 GLN A 119 -8.953 17.848 4.923 1.00 2.12 N flip ATOM 0 H GLN A 119 -12.629 18.702 2.582 1.00 1.30 H new ATOM 0 HA GLN A 119 -11.897 16.757 0.523 1.00 1.36 H new ATOM 0 HB2 GLN A 119 -9.598 16.702 1.504 1.00 1.83 H new ATOM 0 HB3 GLN A 119 -9.949 18.191 0.649 1.00 1.83 H new ATOM 0 HG2 GLN A 119 -9.354 19.332 2.463 1.00 1.69 H new ATOM 0 HG3 GLN A 119 -10.747 18.675 3.300 1.00 1.69 H new ATOM 0 HE21 GLN A 119 -9.612 18.524 5.309 1.00 2.12 H new ATOM 0 HE22 GLN A 119 -8.326 17.336 5.543 1.00 2.12 H new ATOM 1330 N ASP A 120 -13.064 15.426 2.268 1.00 0.81 N ATOM 1331 CA ASP A 120 -13.508 14.376 3.178 1.00 0.68 C ATOM 1332 C ASP A 120 -13.317 13.019 2.515 1.00 0.54 C ATOM 1333 O ASP A 120 -14.230 12.491 1.882 1.00 0.63 O ATOM 1334 CB ASP A 120 -14.978 14.579 3.551 1.00 0.72 C ATOM 1335 CG ASP A 120 -15.238 15.949 4.145 1.00 1.34 C ATOM 1336 OD1 ASP A 120 -15.439 16.905 3.366 1.00 2.16 O ATOM 1337 OD2 ASP A 120 -15.242 16.068 5.388 1.00 1.54 O ATOM 0 H ASP A 120 -13.627 15.513 1.422 1.00 0.81 H new ATOM 0 HA ASP A 120 -12.914 14.420 4.091 1.00 0.68 H new ATOM 0 HB2 ASP A 120 -15.597 14.447 2.664 1.00 0.72 H new ATOM 0 HB3 ASP A 120 -15.278 13.813 4.266 1.00 0.72 H new ATOM 1342 N PHE A 121 -12.120 12.459 2.663 1.00 0.45 N ATOM 1343 CA PHE A 121 -11.794 11.180 2.047 1.00 0.36 C ATOM 1344 C PHE A 121 -12.278 10.001 2.886 1.00 0.31 C ATOM 1345 O PHE A 121 -11.552 9.023 3.067 1.00 0.33 O ATOM 1346 CB PHE A 121 -10.282 11.067 1.822 1.00 0.47 C ATOM 1347 CG PHE A 121 -9.621 12.330 1.322 1.00 0.37 C ATOM 1348 CD1 PHE A 121 -10.349 13.248 0.582 1.00 0.46 C ATOM 1349 CD2 PHE A 121 -8.286 12.606 1.594 1.00 0.27 C ATOM 1350 CE1 PHE A 121 -9.763 14.411 0.120 1.00 0.41 C ATOM 1351 CE2 PHE A 121 -7.696 13.768 1.134 1.00 0.26 C ATOM 1352 CZ PHE A 121 -8.370 14.642 0.408 1.00 0.31 C ATOM 0 H PHE A 121 -11.361 12.872 3.204 1.00 0.45 H new ATOM 0 HA PHE A 121 -12.311 11.143 1.088 1.00 0.36 H new ATOM 0 HB2 PHE A 121 -9.810 10.773 2.760 1.00 0.47 H new ATOM 0 HB3 PHE A 121 -10.094 10.267 1.106 1.00 0.47 H new ATOM 0 HD1 PHE A 121 -11.388 13.052 0.363 1.00 0.46 H new ATOM 0 HD2 PHE A 121 -7.703 11.904 2.172 1.00 0.27 H new ATOM 0 HE1 PHE A 121 -10.336 15.131 -0.445 1.00 0.41 H new ATOM 0 HE2 PHE A 121 -6.662 13.966 1.373 1.00 0.26 H new ATOM 0 HZ PHE A 121 -7.879 15.527 0.031 1.00 0.31 H new ATOM 1362 N SER A 122 -13.502 10.089 3.400 1.00 0.32 N ATOM 1363 CA SER A 122 -14.059 9.004 4.198 1.00 0.34 C ATOM 1364 C SER A 122 -14.306 7.783 3.321 1.00 0.29 C ATOM 1365 O SER A 122 -14.503 6.675 3.822 1.00 0.32 O ATOM 1366 CB SER A 122 -15.357 9.428 4.880 1.00 0.42 C ATOM 1367 OG SER A 122 -16.353 9.755 3.928 1.00 1.26 O ATOM 0 H SER A 122 -14.120 10.891 3.279 1.00 0.32 H new ATOM 0 HA SER A 122 -13.336 8.751 4.974 1.00 0.34 H new ATOM 0 HB2 SER A 122 -15.714 8.622 5.521 1.00 0.42 H new ATOM 0 HB3 SER A 122 -15.169 10.288 5.523 1.00 0.42 H new ATOM 0 HG SER A 122 -17.174 10.021 4.392 1.00 1.26 H new ATOM 1373 N LYS A 123 -14.305 7.992 2.008 1.00 0.27 N ATOM 1374 CA LYS A 123 -14.505 6.902 1.067 1.00 0.29 C ATOM 1375 C LYS A 123 -13.285 5.998 1.086 1.00 0.24 C ATOM 1376 O LYS A 123 -13.395 4.778 0.963 1.00 0.27 O ATOM 1377 CB LYS A 123 -14.746 7.436 -0.344 1.00 0.37 C ATOM 1378 CG LYS A 123 -16.026 8.248 -0.478 1.00 0.42 C ATOM 1379 CD LYS A 123 -15.796 9.729 -0.221 1.00 0.91 C ATOM 1380 CE LYS A 123 -14.889 10.339 -1.273 1.00 1.81 C ATOM 1381 NZ LYS A 123 -15.520 10.334 -2.622 1.00 2.58 N ATOM 0 H LYS A 123 -14.168 8.905 1.575 1.00 0.27 H new ATOM 0 HA LYS A 123 -15.387 6.335 1.364 1.00 0.29 H new ATOM 0 HB2 LYS A 123 -13.900 8.057 -0.638 1.00 0.37 H new ATOM 0 HB3 LYS A 123 -14.783 6.597 -1.039 1.00 0.37 H new ATOM 0 HG2 LYS A 123 -16.436 8.114 -1.479 1.00 0.42 H new ATOM 0 HG3 LYS A 123 -16.769 7.870 0.224 1.00 0.42 H new ATOM 0 HD2 LYS A 123 -16.752 10.252 -0.216 1.00 0.91 H new ATOM 0 HD3 LYS A 123 -15.353 9.864 0.766 1.00 0.91 H new ATOM 0 HE2 LYS A 123 -14.644 11.363 -0.991 1.00 1.81 H new ATOM 0 HE3 LYS A 123 -13.951 9.785 -1.309 1.00 1.81 H new ATOM 0 HZ1 LYS A 123 -14.985 10.960 -3.258 1.00 2.58 H new ATOM 0 HZ2 LYS A 123 -15.515 9.367 -3.004 1.00 2.58 H new ATOM 0 HZ3 LYS A 123 -16.501 10.672 -2.548 1.00 2.58 H new ATOM 1395 N LEU A 124 -12.119 6.616 1.238 1.00 0.22 N ATOM 1396 CA LEU A 124 -10.868 5.886 1.314 1.00 0.20 C ATOM 1397 C LEU A 124 -10.876 5.047 2.586 1.00 0.16 C ATOM 1398 O LEU A 124 -10.194 4.027 2.690 1.00 0.16 O ATOM 1399 CB LEU A 124 -9.699 6.886 1.318 1.00 0.25 C ATOM 1400 CG LEU A 124 -8.292 6.316 1.082 1.00 0.24 C ATOM 1401 CD1 LEU A 124 -8.340 4.932 0.457 1.00 0.26 C ATOM 1402 CD2 LEU A 124 -7.494 7.257 0.192 1.00 0.25 C ATOM 0 H LEU A 124 -12.019 7.628 1.311 1.00 0.22 H new ATOM 0 HA LEU A 124 -10.750 5.226 0.455 1.00 0.20 H new ATOM 0 HB2 LEU A 124 -9.893 7.637 0.552 1.00 0.25 H new ATOM 0 HB3 LEU A 124 -9.699 7.403 2.278 1.00 0.25 H new ATOM 0 HG LEU A 124 -7.805 6.225 2.053 1.00 0.24 H new ATOM 0 HD11 LEU A 124 -7.325 4.565 0.307 1.00 0.26 H new ATOM 0 HD12 LEU A 124 -8.877 4.252 1.119 1.00 0.26 H new ATOM 0 HD13 LEU A 124 -8.853 4.984 -0.503 1.00 0.26 H new ATOM 0 HD21 LEU A 124 -6.498 6.846 0.029 1.00 0.25 H new ATOM 0 HD22 LEU A 124 -8.001 7.369 -0.766 1.00 0.25 H new ATOM 0 HD23 LEU A 124 -7.411 8.231 0.675 1.00 0.25 H new ATOM 1414 N LEU A 125 -11.684 5.492 3.545 1.00 0.18 N ATOM 1415 CA LEU A 125 -11.827 4.813 4.823 1.00 0.22 C ATOM 1416 C LEU A 125 -12.636 3.527 4.653 1.00 0.24 C ATOM 1417 O LEU A 125 -12.235 2.458 5.120 1.00 0.26 O ATOM 1418 CB LEU A 125 -12.522 5.745 5.826 1.00 0.28 C ATOM 1419 CG LEU A 125 -11.881 5.823 7.214 1.00 0.32 C ATOM 1420 CD1 LEU A 125 -11.651 4.433 7.790 1.00 1.23 C ATOM 1421 CD2 LEU A 125 -10.579 6.605 7.151 1.00 1.30 C ATOM 0 H LEU A 125 -12.256 6.332 3.455 1.00 0.18 H new ATOM 0 HA LEU A 125 -10.838 4.553 5.200 1.00 0.22 H new ATOM 0 HB2 LEU A 125 -12.550 6.749 5.402 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -13.556 5.419 5.941 1.00 0.28 H new ATOM 0 HG LEU A 125 -12.568 6.347 7.878 1.00 0.32 H new ATOM 0 HD11 LEU A 125 -11.195 4.519 8.776 1.00 1.23 H new ATOM 0 HD12 LEU A 125 -12.605 3.912 7.875 1.00 1.23 H new ATOM 0 HD13 LEU A 125 -10.989 3.871 7.131 1.00 1.23 H new ATOM 0 HD21 LEU A 125 -10.135 6.652 8.145 1.00 1.30 H new ATOM 0 HD22 LEU A 125 -9.889 6.109 6.468 1.00 1.30 H new ATOM 0 HD23 LEU A 125 -10.778 7.616 6.794 1.00 1.30 H new ATOM 1433 N SER A 126 -13.774 3.643 3.971 1.00 0.28 N ATOM 1434 CA SER A 126 -14.640 2.495 3.729 1.00 0.34 C ATOM 1435 C SER A 126 -13.960 1.486 2.809 1.00 0.28 C ATOM 1436 O SER A 126 -14.141 0.277 2.954 1.00 0.29 O ATOM 1437 CB SER A 126 -15.966 2.949 3.114 1.00 0.44 C ATOM 1438 OG SER A 126 -16.822 1.845 2.876 1.00 1.40 O ATOM 0 H SER A 126 -14.116 4.520 3.577 1.00 0.28 H new ATOM 0 HA SER A 126 -14.838 2.013 4.686 1.00 0.34 H new ATOM 0 HB2 SER A 126 -16.457 3.657 3.782 1.00 0.44 H new ATOM 0 HB3 SER A 126 -15.776 3.474 2.178 1.00 0.44 H new ATOM 0 HG SER A 126 -17.663 2.161 2.484 1.00 1.40 H new ATOM 1444 N SER A 127 -13.177 1.996 1.865 1.00 0.25 N ATOM 1445 CA SER A 127 -12.468 1.146 0.917 1.00 0.25 C ATOM 1446 C SER A 127 -11.475 0.236 1.630 1.00 0.21 C ATOM 1447 O SER A 127 -11.412 -0.960 1.354 1.00 0.23 O ATOM 1448 CB SER A 127 -11.740 2.003 -0.120 1.00 0.31 C ATOM 1449 OG SER A 127 -12.658 2.757 -0.894 1.00 1.09 O ATOM 0 H SER A 127 -13.017 2.995 1.736 1.00 0.25 H new ATOM 0 HA SER A 127 -13.203 0.519 0.412 1.00 0.25 H new ATOM 0 HB2 SER A 127 -11.045 2.676 0.383 1.00 0.31 H new ATOM 0 HB3 SER A 127 -11.148 1.363 -0.774 1.00 0.31 H new ATOM 0 HG SER A 127 -13.000 3.504 -0.360 1.00 1.09 H new ATOM 1455 N VAL A 128 -10.711 0.809 2.555 1.00 0.23 N ATOM 1456 CA VAL A 128 -9.711 0.054 3.305 1.00 0.30 C ATOM 1457 C VAL A 128 -10.348 -1.077 4.104 1.00 0.29 C ATOM 1458 O VAL A 128 -9.958 -2.238 3.974 1.00 0.32 O ATOM 1459 CB VAL A 128 -8.932 0.972 4.267 1.00 0.40 C ATOM 1460 CG1 VAL A 128 -8.107 0.156 5.250 1.00 0.51 C ATOM 1461 CG2 VAL A 128 -8.049 1.930 3.484 1.00 0.48 C ATOM 0 H VAL A 128 -10.765 1.797 2.804 1.00 0.23 H new ATOM 0 HA VAL A 128 -9.024 -0.373 2.574 1.00 0.30 H new ATOM 0 HB VAL A 128 -9.651 1.556 4.841 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -7.567 0.828 5.917 1.00 0.51 H new ATOM 0 HG12 VAL A 128 -8.767 -0.484 5.835 1.00 0.51 H new ATOM 0 HG13 VAL A 128 -7.395 -0.461 4.703 1.00 0.51 H new ATOM 0 HG21 VAL A 128 -7.505 2.572 4.177 1.00 0.48 H new ATOM 0 HG22 VAL A 128 -7.339 1.362 2.883 1.00 0.48 H new ATOM 0 HG23 VAL A 128 -8.669 2.544 2.830 1.00 0.48 H new ATOM 1471 N LYS A 129 -11.324 -0.726 4.930 1.00 0.28 N ATOM 1472 CA LYS A 129 -12.017 -1.704 5.757 1.00 0.32 C ATOM 1473 C LYS A 129 -12.499 -2.891 4.929 1.00 0.27 C ATOM 1474 O LYS A 129 -12.444 -4.037 5.375 1.00 0.27 O ATOM 1475 CB LYS A 129 -13.202 -1.038 6.452 1.00 0.38 C ATOM 1476 CG LYS A 129 -12.814 -0.221 7.672 1.00 0.50 C ATOM 1477 CD LYS A 129 -12.342 -1.116 8.803 1.00 1.12 C ATOM 1478 CE LYS A 129 -13.512 -1.689 9.587 1.00 1.77 C ATOM 1479 NZ LYS A 129 -14.318 -0.621 10.243 1.00 2.69 N ATOM 0 H LYS A 129 -11.655 0.232 5.045 1.00 0.28 H new ATOM 0 HA LYS A 129 -11.316 -2.079 6.503 1.00 0.32 H new ATOM 0 HB2 LYS A 129 -13.713 -0.390 5.739 1.00 0.38 H new ATOM 0 HB3 LYS A 129 -13.915 -1.806 6.752 1.00 0.38 H new ATOM 0 HG2 LYS A 129 -12.024 0.482 7.407 1.00 0.50 H new ATOM 0 HG3 LYS A 129 -13.668 0.370 8.004 1.00 0.50 H new ATOM 0 HD2 LYS A 129 -11.741 -1.930 8.397 1.00 1.12 H new ATOM 0 HD3 LYS A 129 -11.697 -0.547 9.473 1.00 1.12 H new ATOM 0 HE2 LYS A 129 -14.150 -2.266 8.917 1.00 1.77 H new ATOM 0 HE3 LYS A 129 -13.139 -2.379 10.344 1.00 1.77 H new ATOM 0 HZ1 LYS A 129 -14.837 -1.024 11.049 1.00 2.69 H new ATOM 0 HZ2 LYS A 129 -13.686 0.133 10.579 1.00 2.69 H new ATOM 0 HZ3 LYS A 129 -14.994 -0.227 9.558 1.00 2.69 H new ATOM 1493 N GLU A 130 -12.973 -2.604 3.722 1.00 0.23 N ATOM 1494 CA GLU A 130 -13.476 -3.637 2.822 1.00 0.21 C ATOM 1495 C GLU A 130 -12.398 -4.649 2.434 1.00 0.17 C ATOM 1496 O GLU A 130 -12.571 -5.853 2.637 1.00 0.16 O ATOM 1497 CB GLU A 130 -14.062 -2.994 1.563 1.00 0.21 C ATOM 1498 CG GLU A 130 -14.747 -3.982 0.633 1.00 0.35 C ATOM 1499 CD GLU A 130 -16.009 -4.570 1.232 1.00 1.20 C ATOM 1500 OE1 GLU A 130 -15.911 -5.609 1.918 1.00 2.10 O ATOM 1501 OE2 GLU A 130 -17.093 -3.990 1.017 1.00 1.71 O ATOM 0 H GLU A 130 -13.020 -1.659 3.342 1.00 0.23 H new ATOM 0 HA GLU A 130 -14.254 -4.180 3.358 1.00 0.21 H new ATOM 0 HB2 GLU A 130 -14.780 -2.228 1.858 1.00 0.21 H new ATOM 0 HB3 GLU A 130 -13.264 -2.490 1.018 1.00 0.21 H new ATOM 0 HG2 GLU A 130 -14.993 -3.482 -0.304 1.00 0.35 H new ATOM 0 HG3 GLU A 130 -14.054 -4.788 0.392 1.00 0.35 H new ATOM 1508 N ILE A 131 -11.285 -4.167 1.878 1.00 0.18 N ATOM 1509 CA ILE A 131 -10.208 -5.060 1.448 1.00 0.16 C ATOM 1510 C ILE A 131 -9.791 -5.999 2.573 1.00 0.17 C ATOM 1511 O ILE A 131 -9.792 -7.219 2.406 1.00 0.16 O ATOM 1512 CB ILE A 131 -8.957 -4.293 0.964 1.00 0.18 C ATOM 1513 CG1 ILE A 131 -9.271 -2.822 0.700 1.00 0.28 C ATOM 1514 CG2 ILE A 131 -8.404 -4.947 -0.293 1.00 0.29 C ATOM 1515 CD1 ILE A 131 -8.037 -1.949 0.658 1.00 0.27 C ATOM 0 H ILE A 131 -11.107 -3.176 1.716 1.00 0.18 H new ATOM 0 HA ILE A 131 -10.612 -5.630 0.612 1.00 0.16 H new ATOM 0 HB ILE A 131 -8.207 -4.335 1.754 1.00 0.18 H new ATOM 0 HG12 ILE A 131 -9.803 -2.735 -0.248 1.00 0.28 H new ATOM 0 HG13 ILE A 131 -9.942 -2.455 1.477 1.00 0.28 H new ATOM 0 HG21 ILE A 131 -7.522 -4.402 -0.629 1.00 0.29 H new ATOM 0 HG22 ILE A 131 -8.131 -5.980 -0.076 1.00 0.29 H new ATOM 0 HG23 ILE A 131 -9.162 -4.929 -1.076 1.00 0.29 H new ATOM 0 HD11 ILE A 131 -8.328 -0.916 0.467 1.00 0.27 H new ATOM 0 HD12 ILE A 131 -7.517 -2.008 1.614 1.00 0.27 H new ATOM 0 HD13 ILE A 131 -7.375 -2.292 -0.137 1.00 0.27 H new ATOM 1527 N SER A 132 -9.430 -5.422 3.715 1.00 0.20 N ATOM 1528 CA SER A 132 -9.025 -6.208 4.872 1.00 0.23 C ATOM 1529 C SER A 132 -10.088 -7.244 5.229 1.00 0.23 C ATOM 1530 O SER A 132 -9.775 -8.413 5.455 1.00 0.26 O ATOM 1531 CB SER A 132 -8.771 -5.292 6.070 1.00 0.27 C ATOM 1532 OG SER A 132 -9.901 -4.484 6.344 1.00 1.02 O ATOM 0 H SER A 132 -9.410 -4.413 3.862 1.00 0.20 H new ATOM 0 HA SER A 132 -8.104 -6.732 4.618 1.00 0.23 H new ATOM 0 HB2 SER A 132 -8.529 -5.893 6.946 1.00 0.27 H new ATOM 0 HB3 SER A 132 -7.907 -4.658 5.870 1.00 0.27 H new ATOM 0 HG SER A 132 -9.966 -3.773 5.672 1.00 1.02 H new ATOM 1538 N ASP A 133 -11.343 -6.808 5.284 1.00 0.23 N ATOM 1539 CA ASP A 133 -12.451 -7.696 5.621 1.00 0.26 C ATOM 1540 C ASP A 133 -12.469 -8.940 4.735 1.00 0.25 C ATOM 1541 O ASP A 133 -12.920 -10.004 5.160 1.00 0.36 O ATOM 1542 CB ASP A 133 -13.779 -6.950 5.490 1.00 0.28 C ATOM 1543 CG ASP A 133 -14.960 -7.788 5.941 1.00 0.33 C ATOM 1544 OD1 ASP A 133 -15.525 -8.519 5.100 1.00 0.37 O ATOM 1545 OD2 ASP A 133 -15.322 -7.710 7.133 1.00 0.37 O ATOM 0 H ASP A 133 -11.618 -5.843 5.099 1.00 0.23 H new ATOM 0 HA ASP A 133 -12.312 -8.020 6.652 1.00 0.26 H new ATOM 0 HB2 ASP A 133 -13.739 -6.036 6.082 1.00 0.28 H new ATOM 0 HB3 ASP A 133 -13.924 -6.652 4.452 1.00 0.28 H new ATOM 1550 N ILE A 134 -11.978 -8.805 3.507 1.00 0.16 N ATOM 1551 CA ILE A 134 -11.962 -9.925 2.567 1.00 0.16 C ATOM 1552 C ILE A 134 -10.812 -10.903 2.827 1.00 0.16 C ATOM 1553 O ILE A 134 -11.034 -12.109 2.932 1.00 0.26 O ATOM 1554 CB ILE A 134 -11.881 -9.436 1.108 1.00 0.17 C ATOM 1555 CG1 ILE A 134 -13.033 -8.476 0.803 1.00 0.17 C ATOM 1556 CG2 ILE A 134 -11.909 -10.624 0.154 1.00 0.22 C ATOM 1557 CD1 ILE A 134 -12.960 -7.855 -0.576 1.00 0.18 C ATOM 0 H ILE A 134 -11.588 -7.937 3.139 1.00 0.16 H new ATOM 0 HA ILE A 134 -12.902 -10.453 2.726 1.00 0.16 H new ATOM 0 HB ILE A 134 -10.942 -8.901 0.969 1.00 0.17 H new ATOM 0 HG12 ILE A 134 -13.977 -9.013 0.900 1.00 0.17 H new ATOM 0 HG13 ILE A 134 -13.039 -7.682 1.549 1.00 0.17 H new ATOM 0 HG21 ILE A 134 -11.851 -10.266 -0.874 1.00 0.22 H new ATOM 0 HG22 ILE A 134 -11.060 -11.276 0.360 1.00 0.22 H new ATOM 0 HG23 ILE A 134 -12.836 -11.181 0.293 1.00 0.22 H new ATOM 0 HD11 ILE A 134 -13.809 -7.187 -0.720 1.00 0.18 H new ATOM 0 HD12 ILE A 134 -12.033 -7.289 -0.672 1.00 0.18 H new ATOM 0 HD13 ILE A 134 -12.985 -8.641 -1.331 1.00 0.18 H new ATOM 1569 N VAL A 135 -9.587 -10.392 2.928 1.00 0.15 N ATOM 1570 CA VAL A 135 -8.420 -11.250 3.148 1.00 0.17 C ATOM 1571 C VAL A 135 -8.545 -12.095 4.417 1.00 0.19 C ATOM 1572 O VAL A 135 -8.240 -13.285 4.408 1.00 0.25 O ATOM 1573 CB VAL A 135 -7.102 -10.445 3.218 1.00 0.17 C ATOM 1574 CG1 VAL A 135 -7.307 -9.085 3.864 1.00 0.18 C ATOM 1575 CG2 VAL A 135 -6.050 -11.224 3.987 1.00 0.23 C ATOM 0 H VAL A 135 -9.375 -9.396 2.862 1.00 0.15 H new ATOM 0 HA VAL A 135 -8.389 -11.912 2.282 1.00 0.17 H new ATOM 0 HB VAL A 135 -6.762 -10.285 2.195 1.00 0.17 H new ATOM 0 HG11 VAL A 135 -6.358 -8.550 3.895 1.00 0.18 H new ATOM 0 HG12 VAL A 135 -8.028 -8.511 3.283 1.00 0.18 H new ATOM 0 HG13 VAL A 135 -7.682 -9.217 4.879 1.00 0.18 H new ATOM 0 HG21 VAL A 135 -5.127 -10.646 4.029 1.00 0.23 H new ATOM 0 HG22 VAL A 135 -6.406 -11.413 5.000 1.00 0.23 H new ATOM 0 HG23 VAL A 135 -5.861 -12.173 3.485 1.00 0.23 H new ATOM 1585 N GLN A 136 -8.967 -11.470 5.501 1.00 0.22 N ATOM 1586 CA GLN A 136 -9.105 -12.157 6.783 1.00 0.29 C ATOM 1587 C GLN A 136 -9.878 -13.464 6.643 1.00 0.42 C ATOM 1588 O GLN A 136 -9.439 -14.506 7.129 1.00 0.52 O ATOM 1589 CB GLN A 136 -9.770 -11.228 7.789 1.00 0.31 C ATOM 1590 CG GLN A 136 -8.976 -9.952 7.986 1.00 0.37 C ATOM 1591 CD GLN A 136 -9.799 -8.817 8.550 1.00 0.52 C ATOM 1592 OE1 GLN A 136 -9.432 -7.598 8.177 1.00 0.91 O flip ATOM 1593 NE2 GLN A 136 -10.749 -9.029 9.304 1.00 0.54 N flip ATOM 0 H GLN A 136 -9.223 -10.483 5.524 1.00 0.22 H new ATOM 0 HA GLN A 136 -8.110 -12.419 7.144 1.00 0.29 H new ATOM 0 HB2 GLN A 136 -10.775 -10.982 7.447 1.00 0.31 H new ATOM 0 HB3 GLN A 136 -9.875 -11.742 8.744 1.00 0.31 H new ATOM 0 HG2 GLN A 136 -8.139 -10.153 8.655 1.00 0.37 H new ATOM 0 HG3 GLN A 136 -8.553 -9.644 7.030 1.00 0.37 H new ATOM 0 HE21 GLN A 136 -10.992 -9.986 9.562 1.00 0.54 H new ATOM 0 HE22 GLN A 136 -11.293 -8.248 9.671 1.00 0.54 H new ATOM 1602 N ARG A 137 -11.024 -13.408 5.981 1.00 0.58 N ATOM 1603 CA ARG A 137 -11.831 -14.601 5.769 1.00 0.76 C ATOM 1604 C ARG A 137 -11.232 -15.431 4.631 1.00 0.86 C ATOM 1605 O ARG A 137 -11.555 -16.608 4.462 1.00 1.34 O ATOM 1606 CB ARG A 137 -13.291 -14.210 5.493 1.00 0.95 C ATOM 1607 CG ARG A 137 -13.872 -14.768 4.204 1.00 1.37 C ATOM 1608 CD ARG A 137 -13.488 -13.917 3.006 1.00 2.12 C ATOM 1609 NE ARG A 137 -13.744 -12.499 3.243 1.00 2.40 N ATOM 1610 CZ ARG A 137 -14.909 -11.906 2.986 1.00 3.46 C ATOM 1611 NH1 ARG A 137 -15.914 -12.606 2.479 1.00 4.05 N ATOM 1612 NH2 ARG A 137 -15.068 -10.613 3.237 1.00 4.06 N ATOM 0 H ARG A 137 -11.415 -12.554 5.583 1.00 0.58 H new ATOM 0 HA ARG A 137 -11.826 -15.216 6.669 1.00 0.76 H new ATOM 0 HB2 ARG A 137 -13.906 -14.548 6.327 1.00 0.95 H new ATOM 0 HB3 ARG A 137 -13.361 -13.123 5.465 1.00 0.95 H new ATOM 0 HG2 ARG A 137 -13.518 -15.788 4.056 1.00 1.37 H new ATOM 0 HG3 ARG A 137 -14.958 -14.816 4.284 1.00 1.37 H new ATOM 0 HD2 ARG A 137 -12.432 -14.063 2.780 1.00 2.12 H new ATOM 0 HD3 ARG A 137 -14.049 -14.246 2.131 1.00 2.12 H new ATOM 0 HE ARG A 137 -12.989 -11.931 3.627 1.00 2.40 H new ATOM 0 HH11 ARG A 137 -15.796 -13.600 2.285 1.00 4.05 H new ATOM 0 HH12 ARG A 137 -16.805 -12.150 2.283 1.00 4.05 H new ATOM 0 HH21 ARG A 137 -14.297 -10.071 3.628 1.00 4.06 H new ATOM 0 HH22 ARG A 137 -15.961 -10.161 3.039 1.00 4.06 H new ATOM 1626 N LEU A 138 -10.341 -14.800 3.870 1.00 0.75 N ATOM 1627 CA LEU A 138 -9.673 -15.455 2.749 1.00 0.82 C ATOM 1628 C LEU A 138 -8.496 -16.300 3.242 1.00 1.08 C ATOM 1629 O LEU A 138 -8.608 -17.522 3.356 1.00 1.38 O ATOM 1630 CB LEU A 138 -9.203 -14.397 1.736 1.00 0.82 C ATOM 1631 CG LEU A 138 -8.518 -14.914 0.453 1.00 0.86 C ATOM 1632 CD1 LEU A 138 -7.007 -14.751 0.537 1.00 1.89 C ATOM 1633 CD2 LEU A 138 -8.881 -16.369 0.171 1.00 1.44 C ATOM 0 H LEU A 138 -10.064 -13.829 4.011 1.00 0.75 H new ATOM 0 HA LEU A 138 -10.379 -16.123 2.256 1.00 0.82 H new ATOM 0 HB2 LEU A 138 -10.067 -13.801 1.443 1.00 0.82 H new ATOM 0 HB3 LEU A 138 -8.510 -13.726 2.243 1.00 0.82 H new ATOM 0 HG LEU A 138 -8.886 -14.309 -0.376 1.00 0.86 H new ATOM 0 HD11 LEU A 138 -6.549 -15.123 -0.380 1.00 1.89 H new ATOM 0 HD12 LEU A 138 -6.761 -13.697 0.663 1.00 1.89 H new ATOM 0 HD13 LEU A 138 -6.627 -15.317 1.388 1.00 1.89 H new ATOM 0 HD21 LEU A 138 -8.381 -16.699 -0.740 1.00 1.44 H new ATOM 0 HD22 LEU A 138 -8.562 -16.992 1.006 1.00 1.44 H new ATOM 0 HD23 LEU A 138 -9.960 -16.457 0.044 1.00 1.44 H new ATOM 1645 N GLU A 139 -7.372 -15.648 3.529 1.00 1.21 N ATOM 1646 CA GLU A 139 -6.187 -16.349 4.013 1.00 1.62 C ATOM 1647 C GLU A 139 -6.484 -17.089 5.314 1.00 2.23 C ATOM 1648 O GLU A 139 -6.389 -16.458 6.388 1.00 3.00 O ATOM 1649 CB GLU A 139 -5.031 -15.368 4.228 1.00 2.21 C ATOM 1650 CG GLU A 139 -4.554 -14.693 2.952 1.00 2.94 C ATOM 1651 CD GLU A 139 -3.255 -13.937 3.147 1.00 3.72 C ATOM 1652 OE1 GLU A 139 -3.271 -12.896 3.836 1.00 4.16 O ATOM 1653 OE2 GLU A 139 -2.220 -14.385 2.608 1.00 4.17 O ATOM 1654 OXT GLU A 139 -6.812 -18.292 5.247 1.00 2.56 O ATOM 0 H GLU A 139 -7.257 -14.639 3.435 1.00 1.21 H new ATOM 0 HA GLU A 139 -5.899 -17.078 3.255 1.00 1.62 H new ATOM 0 HB2 GLU A 139 -5.344 -14.602 4.938 1.00 2.21 H new ATOM 0 HB3 GLU A 139 -4.195 -15.900 4.681 1.00 2.21 H new ATOM 0 HG2 GLU A 139 -4.420 -15.445 2.175 1.00 2.94 H new ATOM 0 HG3 GLU A 139 -5.322 -14.005 2.600 1.00 2.94 H new TER 1661 GLU A 139