USER MOD reduce.3.24.130724 H: found=0, std=0, add=1176, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1168 hydrogens (33 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 4 SER OG : rot 130:sc= -0.039 USER MOD Set 1.2: A 130 LYS NZ :NH3+ -140:sc= 0.674 (180deg=0.0468) USER MOD Set 2.1: A 115 GLN : amide:sc= -0.743 K(o=-0.34,f=-2.6!) USER MOD Set 2.2: A 117 TYR OH : rot -87:sc= 0.401 USER MOD Set 3.1: A 98 ASN : amide:sc= 1.16 K(o=-0.5,f=-3) USER MOD Set 3.2: A 100 ASN : amide:sc= -1.66! C(o=-0.5!,f=-4.7!) USER MOD Set 4.1: A 69 ASN : amide:sc= -2.48! C(o=-2.2!,f=-7.8!) USER MOD Set 4.2: A 71 ASN : amide:sc= 0.323 K(o=-2.2,f=-5.5) USER MOD Set 5.1: A 50 LYS NZ :NH3+ -115:sc= 0.519 (180deg=-0.704) USER MOD Set 5.2: A 52 SER OG : rot 180:sc= 0.878 USER MOD Set 6.1: A 5 THR OG1 : rot 180:sc= -1.63! USER MOD Set 6.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= 0.174 (180deg=-0.313) USER MOD Single : A -1 THR OG1 : rot 180:sc= 0 USER MOD Single : A -4 HIS : no HD1:sc=-0.00584 X(o=-0.0058,f=-0.0058) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc=-0.00344 X(o=-0.0034,f=0) USER MOD Single : A -7 HIS : no HD1:sc= 0 X(o=0,f=-0.44) USER MOD Single : A -8 HIS : no HD1:sc= 0.00339 X(o=0.0034,f=-0.32) USER MOD Single : A -9 HIS : no HD1:sc= 0.0203 K(o=0.02,f=-1) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN :FLIP amide:sc= -1.83 F(o=-6.6!,f=-1.8) USER MOD Single : A 14 TYR OH : rot 165:sc= 0.0584 USER MOD Single : A 16 LYS NZ :NH3+ 139:sc= 1.03 (180deg=-0.106) USER MOD Single : A 18 MET CE :methyl 166:sc=-0.00333 (180deg=-0.452) USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= -0.522 (180deg=-1.46!) USER MOD Single : A 21 MET CE :methyl 175:sc= 0 (180deg=-0.0413) USER MOD Single : A 24 ASN : amide:sc= -0.897 X(o=-0.9,f=-0.44) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS :FLIP no HE2:sc= 0.184 F(o=-0.66,f=0.18) USER MOD Single : A 35 ASN : amide:sc= 0.0597 X(o=0.06,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -108:sc= 1.05 (180deg=-0.652) USER MOD Single : A 41 THR OG1 : rot 37:sc= 0.489 USER MOD Single : A 42 GLN : amide:sc= -0.977 X(o=-0.98,f=-1.3) USER MOD Single : A 45 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.27) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 1.66 (180deg=0.896) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 53 SER OG : rot -74:sc= 0.369 USER MOD Single : A 57 ASN : amide:sc= -1.9 K(o=-1.9,f=-12!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 30:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 129:sc= -3! USER MOD Single : A 83 SER OG : rot 180:sc= -0.0145 USER MOD Single : A 87 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.018) USER MOD Single : A 88 LYS NZ :NH3+ -137:sc= -0.0835 (180deg=-0.459) USER MOD Single : A 92 LYS NZ :NH3+ 174:sc= -0.0443 (180deg=-0.0775) USER MOD Single : A 94 LYS NZ :NH3+ -145:sc= 0.0599 (180deg=-1.7!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A -10 ALA N :NH3+ 139:sc= 0.00606 (180deg=0) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.501 F(o=-1.2,f=-0.5) USER MOD Single : A 104 THR OG1 : rot 147:sc= 1.55 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 119 TYR OH : rot 122:sc= 0.0375 USER MOD Single : A 125 LYS NZ :NH3+ -119:sc= 0.991 (180deg=-0.143) USER MOD Single : A 129 LYS NZ :NH3+ -131:sc= 1.29 (180deg=0.0144) USER MOD Single : A 201 OLA O2 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -10 -46.966 12.823 -7.728 1.00 41.55 N ATOM 2 CA ALA A -10 -46.069 11.886 -8.459 1.00 62.53 C ATOM 3 C ALA A -10 -44.679 11.837 -7.815 1.00 64.32 C ATOM 4 O ALA A -10 -44.144 12.868 -7.402 1.00 33.34 O ATOM 5 CB ALA A -10 -45.957 12.288 -9.924 1.00 3.13 C ATOM 0 H1 ALA A -10 -47.529 13.369 -8.411 1.00 41.55 H new ATOM 0 H2 ALA A -10 -47.602 12.282 -7.108 1.00 41.55 H new ATOM 0 H3 ALA A -10 -46.394 13.474 -7.153 1.00 41.55 H new ATOM 0 HA ALA A -10 -46.506 10.889 -8.400 1.00 62.53 H new ATOM 0 HB1 ALA A -10 -45.298 11.592 -10.443 1.00 3.13 H new ATOM 0 HB2 ALA A -10 -46.945 12.264 -10.384 1.00 3.13 H new ATOM 0 HB3 ALA A -10 -45.548 13.296 -9.994 1.00 3.13 H new ATOM 13 N HIS A -9 -44.099 10.633 -7.737 1.00 45.23 N ATOM 14 CA HIS A -9 -42.768 10.446 -7.146 1.00 2.01 C ATOM 15 C HIS A -9 -42.310 8.986 -7.262 1.00 13.41 C ATOM 16 O HIS A -9 -43.066 8.129 -7.726 1.00 33.13 O ATOM 17 CB HIS A -9 -42.768 10.879 -5.675 1.00 1.42 C ATOM 18 CG HIS A -9 -41.716 11.894 -5.353 1.00 0.42 C ATOM 19 ND1 HIS A -9 -40.371 11.596 -5.306 1.00 24.23 N ATOM 20 CD2 HIS A -9 -41.815 13.214 -5.066 1.00 41.32 C ATOM 21 CE1 HIS A -9 -39.687 12.684 -5.005 1.00 41.11 C ATOM 22 NE2 HIS A -9 -40.540 13.681 -4.854 1.00 52.35 N ATOM 0 H HIS A -9 -44.531 9.773 -8.076 1.00 45.23 H new ATOM 0 HA HIS A -9 -42.067 11.070 -7.701 1.00 2.01 H new ATOM 0 HB2 HIS A -9 -43.746 11.289 -5.425 1.00 1.42 H new ATOM 0 HB3 HIS A -9 -42.620 10.001 -5.046 1.00 1.42 H new ATOM 0 HD2 HIS A -9 -42.726 13.792 -5.014 1.00 41.32 H new ATOM 0 HE1 HIS A -9 -38.614 12.748 -4.900 1.00 41.11 H new ATOM 0 HE2 HIS A -9 -40.293 14.642 -4.618 1.00 52.35 H new ATOM 30 N HIS A -8 -41.070 8.710 -6.840 1.00 40.01 N ATOM 31 CA HIS A -8 -40.512 7.353 -6.898 1.00 51.32 C ATOM 32 C HIS A -8 -39.322 7.195 -5.942 1.00 0.25 C ATOM 33 O HIS A -8 -38.782 8.186 -5.443 1.00 72.14 O ATOM 34 CB HIS A -8 -40.077 7.023 -8.330 1.00 4.02 C ATOM 35 CG HIS A -8 -40.557 5.690 -8.808 1.00 40.21 C ATOM 36 ND1 HIS A -8 -39.948 4.503 -8.466 1.00 71.21 N ATOM 37 CD2 HIS A -8 -41.603 5.356 -9.600 1.00 25.15 C ATOM 38 CE1 HIS A -8 -40.596 3.498 -9.023 1.00 13.51 C ATOM 39 NE2 HIS A -8 -41.607 3.988 -9.717 1.00 4.00 N ATOM 0 H HIS A -8 -40.434 9.408 -6.455 1.00 40.01 H new ATOM 0 HA HIS A -8 -41.291 6.658 -6.586 1.00 51.32 H new ATOM 0 HB2 HIS A -8 -40.450 7.796 -9.002 1.00 4.02 H new ATOM 0 HB3 HIS A -8 -38.989 7.050 -8.386 1.00 4.02 H new ATOM 0 HD2 HIS A -8 -42.305 6.039 -10.056 1.00 25.15 H new ATOM 0 HE1 HIS A -8 -40.343 2.452 -8.928 1.00 13.51 H new ATOM 0 HE2 HIS A -8 -42.280 3.440 -10.252 1.00 4.00 H new ATOM 47 N HIS A -7 -38.916 5.941 -5.695 1.00 0.41 N ATOM 48 CA HIS A -7 -37.786 5.651 -4.802 1.00 40.03 C ATOM 49 C HIS A -7 -37.349 4.182 -4.904 1.00 23.34 C ATOM 50 O HIS A -7 -38.163 3.305 -5.205 1.00 75.22 O ATOM 51 CB HIS A -7 -38.155 5.983 -3.352 1.00 41.13 C ATOM 52 CG HIS A -7 -37.171 6.889 -2.676 1.00 34.40 C ATOM 53 ND1 HIS A -7 -35.820 6.623 -2.617 1.00 44.42 N ATOM 54 CD2 HIS A -7 -37.348 8.065 -2.026 1.00 34.13 C ATOM 55 CE1 HIS A -7 -35.207 7.591 -1.960 1.00 32.30 C ATOM 56 NE2 HIS A -7 -36.112 8.479 -1.591 1.00 25.31 N ATOM 0 H HIS A -7 -39.353 5.113 -6.101 1.00 0.41 H new ATOM 0 HA HIS A -7 -36.950 6.276 -5.115 1.00 40.03 H new ATOM 0 HB2 HIS A -7 -39.139 6.451 -3.334 1.00 41.13 H new ATOM 0 HB3 HIS A -7 -38.233 5.056 -2.784 1.00 41.13 H new ATOM 0 HD2 HIS A -7 -38.285 8.580 -1.878 1.00 34.13 H new ATOM 0 HE1 HIS A -7 -34.147 7.647 -1.759 1.00 32.30 H new ATOM 0 HE2 HIS A -7 -35.924 9.334 -1.068 1.00 25.31 H new ATOM 64 N HIS A -6 -36.059 3.925 -4.648 1.00 12.01 N ATOM 65 CA HIS A -6 -35.504 2.565 -4.705 1.00 45.03 C ATOM 66 C HIS A -6 -34.183 2.470 -3.924 1.00 51.21 C ATOM 67 O HIS A -6 -33.752 3.446 -3.305 1.00 55.12 O ATOM 68 CB HIS A -6 -35.295 2.136 -6.161 1.00 74.24 C ATOM 69 CG HIS A -6 -36.283 1.110 -6.624 1.00 31.35 C ATOM 70 ND1 HIS A -6 -36.166 -0.232 -6.335 1.00 4.01 N ATOM 71 CD2 HIS A -6 -37.415 1.235 -7.356 1.00 21.22 C ATOM 72 CE1 HIS A -6 -37.181 -0.889 -6.867 1.00 11.51 C ATOM 73 NE2 HIS A -6 -37.955 -0.021 -7.492 1.00 13.40 N ATOM 0 H HIS A -6 -35.379 4.643 -4.399 1.00 12.01 H new ATOM 0 HA HIS A -6 -36.220 1.889 -4.237 1.00 45.03 H new ATOM 0 HB2 HIS A -6 -35.364 3.013 -6.804 1.00 74.24 H new ATOM 0 HB3 HIS A -6 -34.287 1.737 -6.274 1.00 74.24 H new ATOM 0 HD2 HIS A -6 -37.819 2.152 -7.759 1.00 21.22 H new ATOM 0 HE1 HIS A -6 -37.349 -1.954 -6.802 1.00 11.51 H new ATOM 0 HE2 HIS A -6 -38.814 -0.246 -7.994 1.00 13.40 H new ATOM 81 N HIS A -5 -33.549 1.286 -3.942 1.00 52.33 N ATOM 82 CA HIS A -5 -32.289 1.078 -3.214 1.00 44.14 C ATOM 83 C HIS A -5 -31.276 0.239 -4.009 1.00 21.10 C ATOM 84 O HIS A -5 -31.571 -0.237 -5.108 1.00 13.21 O ATOM 85 CB HIS A -5 -32.571 0.410 -1.864 1.00 0.53 C ATOM 86 CG HIS A -5 -32.130 1.231 -0.694 1.00 51.34 C ATOM 87 ND1 HIS A -5 -32.823 2.333 -0.243 1.00 31.44 N ATOM 88 CD2 HIS A -5 -31.053 1.110 0.118 1.00 3.01 C ATOM 89 CE1 HIS A -5 -32.194 2.856 0.792 1.00 33.22 C ATOM 90 NE2 HIS A -5 -31.116 2.132 1.033 1.00 63.34 N ATOM 0 H HIS A -5 -33.885 0.466 -4.448 1.00 52.33 H new ATOM 0 HA HIS A -5 -31.842 2.060 -3.060 1.00 44.14 H new ATOM 0 HB2 HIS A -5 -33.640 0.214 -1.780 1.00 0.53 H new ATOM 0 HB3 HIS A -5 -32.067 -0.556 -1.832 1.00 0.53 H new ATOM 0 HD2 HIS A -5 -30.287 0.351 0.057 1.00 3.01 H new ATOM 0 HE1 HIS A -5 -32.507 3.728 1.348 1.00 33.22 H new ATOM 0 HE2 HIS A -5 -30.440 2.304 1.778 1.00 63.34 H new ATOM 98 N HIS A -4 -30.074 0.071 -3.430 1.00 60.22 N ATOM 99 CA HIS A -4 -28.989 -0.701 -4.058 1.00 43.42 C ATOM 100 C HIS A -4 -27.810 -0.890 -3.085 1.00 73.41 C ATOM 101 O HIS A -4 -27.909 -0.525 -1.912 1.00 45.34 O ATOM 102 CB HIS A -4 -28.501 -0.002 -5.331 1.00 61.51 C ATOM 103 CG HIS A -4 -28.410 1.488 -5.209 1.00 42.01 C ATOM 104 ND1 HIS A -4 -29.213 2.354 -5.921 1.00 32.30 N ATOM 105 CD2 HIS A -4 -27.606 2.267 -4.447 1.00 44.41 C ATOM 106 CE1 HIS A -4 -28.907 3.599 -5.605 1.00 62.32 C ATOM 107 NE2 HIS A -4 -27.935 3.573 -4.712 1.00 43.04 N ATOM 0 H HIS A -4 -29.829 0.463 -2.521 1.00 60.22 H new ATOM 0 HA HIS A -4 -29.386 -1.682 -4.318 1.00 43.42 H new ATOM 0 HB2 HIS A -4 -27.520 -0.395 -5.596 1.00 61.51 H new ATOM 0 HB3 HIS A -4 -29.176 -0.249 -6.151 1.00 61.51 H new ATOM 0 HD2 HIS A -4 -26.847 1.924 -3.759 1.00 44.41 H new ATOM 0 HE1 HIS A -4 -29.372 4.486 -6.008 1.00 62.32 H new ATOM 0 HE2 HIS A -4 -27.499 4.391 -4.287 1.00 43.04 H new ATOM 115 N VAL A -3 -26.697 -1.465 -3.573 1.00 42.54 N ATOM 116 CA VAL A -3 -25.517 -1.701 -2.727 1.00 0.43 C ATOM 117 C VAL A -3 -24.217 -1.793 -3.553 1.00 41.01 C ATOM 118 O VAL A -3 -24.262 -2.009 -4.766 1.00 53.33 O ATOM 119 CB VAL A -3 -25.705 -2.989 -1.892 1.00 20.50 C ATOM 120 CG1 VAL A -3 -25.258 -4.224 -2.662 1.00 1.30 C ATOM 121 CG2 VAL A -3 -24.972 -2.884 -0.563 1.00 12.22 C ATOM 0 H VAL A -3 -26.591 -1.772 -4.540 1.00 42.54 H new ATOM 0 HA VAL A -3 -25.422 -0.845 -2.060 1.00 0.43 H new ATOM 0 HB VAL A -3 -26.770 -3.097 -1.688 1.00 20.50 H new ATOM 0 HG11 VAL A -3 -25.404 -5.110 -2.045 1.00 1.30 H new ATOM 0 HG12 VAL A -3 -25.846 -4.316 -3.575 1.00 1.30 H new ATOM 0 HG13 VAL A -3 -24.203 -4.131 -2.918 1.00 1.30 H new ATOM 0 HG21 VAL A -3 -25.119 -3.801 0.007 1.00 12.22 H new ATOM 0 HG22 VAL A -3 -23.908 -2.736 -0.745 1.00 12.22 H new ATOM 0 HG23 VAL A -3 -25.364 -2.039 0.003 1.00 12.22 H new ATOM 131 N GLY A -2 -23.060 -1.628 -2.884 1.00 51.43 N ATOM 132 CA GLY A -2 -21.772 -1.696 -3.565 1.00 1.55 C ATOM 133 C GLY A -2 -20.871 -2.798 -3.020 1.00 54.31 C ATOM 134 O GLY A -2 -21.356 -3.879 -2.689 1.00 13.10 O ATOM 0 H GLY A -2 -23.000 -1.449 -1.882 1.00 51.43 H new ATOM 0 HA2 GLY A -2 -21.938 -1.862 -4.629 1.00 1.55 H new ATOM 0 HA3 GLY A -2 -21.264 -0.737 -3.467 1.00 1.55 H new ATOM 138 N THR A -1 -19.557 -2.512 -2.924 1.00 4.01 N ATOM 139 CA THR A -1 -18.553 -3.462 -2.417 1.00 63.24 C ATOM 140 C THR A -1 -17.158 -3.140 -2.980 1.00 75.34 C ATOM 141 O THR A -1 -16.896 -3.324 -4.170 1.00 13.20 O ATOM 142 CB THR A -1 -18.912 -4.920 -2.752 1.00 5.43 C ATOM 143 OG1 THR A -1 -17.895 -5.800 -2.306 1.00 71.24 O ATOM 144 CG2 THR A -1 -19.112 -5.171 -4.232 1.00 73.13 C ATOM 0 H THR A -1 -19.163 -1.612 -3.198 1.00 4.01 H new ATOM 0 HA THR A -1 -18.543 -3.353 -1.332 1.00 63.24 H new ATOM 0 HB THR A -1 -19.856 -5.105 -2.239 1.00 5.43 H new ATOM 0 HG1 THR A -1 -18.141 -6.723 -2.526 1.00 71.24 H new ATOM 0 HG21 THR A -1 -19.362 -6.220 -4.393 1.00 73.13 H new ATOM 0 HG22 THR A -1 -19.923 -4.544 -4.601 1.00 73.13 H new ATOM 0 HG23 THR A -1 -18.194 -4.931 -4.769 1.00 73.13 H new ATOM 152 N GLN A 0 -16.275 -2.658 -2.107 1.00 60.44 N ATOM 153 CA GLN A 0 -14.892 -2.304 -2.485 1.00 61.24 C ATOM 154 C GLN A 0 -14.110 -3.521 -3.006 1.00 12.20 C ATOM 155 O GLN A 0 -14.575 -4.661 -2.916 1.00 22.10 O ATOM 156 CB GLN A 0 -14.144 -1.689 -1.294 1.00 71.13 C ATOM 157 CG GLN A 0 -14.598 -0.279 -0.938 1.00 5.53 C ATOM 158 CD GLN A 0 -14.635 -0.046 0.559 1.00 15.54 C ATOM 159 OE1 GLN A 0 -15.703 -0.040 1.172 1.00 60.43 O ATOM 160 NE2 GLN A 0 -13.462 0.143 1.153 1.00 54.33 N ATOM 0 H GLN A 0 -16.488 -2.500 -1.122 1.00 60.44 H new ATOM 0 HA GLN A 0 -14.961 -1.572 -3.290 1.00 61.24 H new ATOM 0 HB2 GLN A 0 -14.276 -2.332 -0.424 1.00 71.13 H new ATOM 0 HB3 GLN A 0 -13.078 -1.670 -1.518 1.00 71.13 H new ATOM 0 HG2 GLN A 0 -13.925 0.444 -1.399 1.00 5.53 H new ATOM 0 HG3 GLN A 0 -15.589 -0.103 -1.355 1.00 5.53 H new ATOM 0 HE21 GLN A 0 -12.603 0.129 0.602 1.00 54.33 H new ATOM 0 HE22 GLN A 0 -13.420 0.302 2.160 1.00 54.33 H new ATOM 169 N ALA A 1 -12.917 -3.260 -3.559 1.00 1.21 N ATOM 170 CA ALA A 1 -12.059 -4.317 -4.106 1.00 51.03 C ATOM 171 C ALA A 1 -10.792 -4.536 -3.274 1.00 53.42 C ATOM 172 O ALA A 1 -10.431 -5.672 -2.969 1.00 62.43 O ATOM 173 CB ALA A 1 -11.666 -3.990 -5.546 1.00 43.55 C ATOM 0 H ALA A 1 -12.525 -2.322 -3.639 1.00 1.21 H new ATOM 0 HA ALA A 1 -12.641 -5.238 -4.075 1.00 51.03 H new ATOM 0 HB1 ALA A 1 -11.030 -4.783 -5.938 1.00 43.55 H new ATOM 0 HB2 ALA A 1 -12.564 -3.909 -6.159 1.00 43.55 H new ATOM 0 HB3 ALA A 1 -11.124 -3.045 -5.569 1.00 43.55 H new ATOM 179 N PHE A 2 -10.100 -3.443 -2.950 1.00 12.32 N ATOM 180 CA PHE A 2 -8.840 -3.514 -2.197 1.00 61.12 C ATOM 181 C PHE A 2 -9.017 -4.036 -0.769 1.00 42.03 C ATOM 182 O PHE A 2 -8.086 -4.618 -0.212 1.00 2.02 O ATOM 183 CB PHE A 2 -8.166 -2.138 -2.157 1.00 20.43 C ATOM 184 CG PHE A 2 -7.747 -1.634 -3.511 1.00 25.30 C ATOM 185 CD1 PHE A 2 -6.495 -1.938 -4.021 1.00 43.11 C ATOM 186 CD2 PHE A 2 -8.606 -0.858 -4.275 1.00 54.23 C ATOM 187 CE1 PHE A 2 -6.107 -1.478 -5.266 1.00 23.22 C ATOM 188 CE2 PHE A 2 -8.224 -0.395 -5.520 1.00 4.22 C ATOM 189 CZ PHE A 2 -6.973 -0.706 -6.016 1.00 35.41 C ATOM 0 H PHE A 2 -10.388 -2.496 -3.196 1.00 12.32 H new ATOM 0 HA PHE A 2 -8.209 -4.229 -2.725 1.00 61.12 H new ATOM 0 HB2 PHE A 2 -8.851 -1.420 -1.707 1.00 20.43 H new ATOM 0 HB3 PHE A 2 -7.290 -2.190 -1.511 1.00 20.43 H new ATOM 0 HD1 PHE A 2 -5.814 -2.541 -3.439 1.00 43.11 H new ATOM 0 HD2 PHE A 2 -9.586 -0.612 -3.892 1.00 54.23 H new ATOM 0 HE1 PHE A 2 -5.128 -1.722 -5.652 1.00 23.22 H new ATOM 0 HE2 PHE A 2 -8.903 0.209 -6.104 1.00 4.22 H new ATOM 0 HZ PHE A 2 -6.672 -0.346 -6.989 1.00 35.41 H new ATOM 199 N ASP A 3 -10.194 -3.814 -0.179 1.00 52.44 N ATOM 200 CA ASP A 3 -10.477 -4.248 1.194 1.00 71.12 C ATOM 201 C ASP A 3 -10.438 -5.778 1.332 1.00 12.10 C ATOM 202 O ASP A 3 -11.480 -6.429 1.432 1.00 13.51 O ATOM 203 CB ASP A 3 -11.842 -3.701 1.645 1.00 72.23 C ATOM 204 CG ASP A 3 -13.005 -4.212 0.808 1.00 2.24 C ATOM 205 OD1 ASP A 3 -12.870 -4.273 -0.432 1.00 42.25 O ATOM 206 OD2 ASP A 3 -14.053 -4.551 1.395 1.00 51.42 O ATOM 0 H ASP A 3 -10.971 -3.334 -0.632 1.00 52.44 H new ATOM 0 HA ASP A 3 -9.696 -3.846 1.839 1.00 71.12 H new ATOM 0 HB2 ASP A 3 -12.007 -3.973 2.687 1.00 72.23 H new ATOM 0 HB3 ASP A 3 -11.822 -2.612 1.599 1.00 72.23 H new ATOM 211 N SER A 4 -9.228 -6.347 1.338 1.00 65.31 N ATOM 212 CA SER A 4 -9.060 -7.795 1.463 1.00 13.01 C ATOM 213 C SER A 4 -7.786 -8.142 2.242 1.00 4.51 C ATOM 214 O SER A 4 -7.161 -7.275 2.855 1.00 13.23 O ATOM 215 CB SER A 4 -9.021 -8.446 0.072 1.00 23.22 C ATOM 216 OG SER A 4 -9.994 -7.885 -0.795 1.00 34.23 O ATOM 0 H SER A 4 -8.354 -5.827 1.258 1.00 65.31 H new ATOM 0 HA SER A 4 -9.913 -8.186 2.018 1.00 13.01 H new ATOM 0 HB2 SER A 4 -8.029 -8.319 -0.362 1.00 23.22 H new ATOM 0 HB3 SER A 4 -9.192 -9.518 0.167 1.00 23.22 H new ATOM 0 HG SER A 4 -9.571 -7.632 -1.642 1.00 34.23 H new ATOM 222 N THR A 5 -7.398 -9.417 2.191 1.00 11.40 N ATOM 223 CA THR A 5 -6.192 -9.891 2.861 1.00 54.54 C ATOM 224 C THR A 5 -5.308 -10.622 1.853 1.00 53.03 C ATOM 225 O THR A 5 -5.600 -11.756 1.474 1.00 21.32 O ATOM 226 CB THR A 5 -6.560 -10.811 4.034 1.00 4.00 C ATOM 227 OG1 THR A 5 -7.150 -10.067 5.087 1.00 55.32 O ATOM 228 CG2 THR A 5 -5.378 -11.558 4.615 1.00 64.44 C ATOM 0 H THR A 5 -7.908 -10.143 1.688 1.00 11.40 H new ATOM 0 HA THR A 5 -5.641 -9.040 3.263 1.00 54.54 H new ATOM 0 HB THR A 5 -7.257 -11.538 3.616 1.00 4.00 H new ATOM 0 HG1 THR A 5 -7.379 -10.670 5.825 1.00 55.32 H new ATOM 0 HG21 THR A 5 -5.715 -12.187 5.439 1.00 64.44 H new ATOM 0 HG22 THR A 5 -4.926 -12.181 3.843 1.00 64.44 H new ATOM 0 HG23 THR A 5 -4.641 -10.844 4.982 1.00 64.44 H new ATOM 236 N TRP A 6 -4.241 -9.958 1.404 1.00 12.00 N ATOM 237 CA TRP A 6 -3.333 -10.542 0.420 1.00 43.53 C ATOM 238 C TRP A 6 -1.934 -10.759 1.001 1.00 40.31 C ATOM 239 O TRP A 6 -1.372 -9.880 1.652 1.00 40.14 O ATOM 240 CB TRP A 6 -3.252 -9.675 -0.852 1.00 43.22 C ATOM 241 CG TRP A 6 -4.412 -8.744 -1.067 1.00 0.41 C ATOM 242 CD1 TRP A 6 -4.848 -7.729 -0.259 1.00 72.24 C ATOM 243 CD2 TRP A 6 -5.272 -8.749 -2.196 1.00 1.31 C ATOM 244 NE1 TRP A 6 -5.945 -7.119 -0.825 1.00 3.32 N ATOM 245 CE2 TRP A 6 -6.221 -7.729 -2.019 1.00 51.03 C ATOM 246 CE3 TRP A 6 -5.320 -9.530 -3.336 1.00 31.30 C ATOM 247 CZ2 TRP A 6 -7.220 -7.474 -2.955 1.00 20.11 C ATOM 248 CZ3 TRP A 6 -6.306 -9.286 -4.271 1.00 20.32 C ATOM 249 CH2 TRP A 6 -7.248 -8.263 -4.076 1.00 71.32 C ATOM 0 H TRP A 6 -3.986 -9.018 1.706 1.00 12.00 H new ATOM 0 HA TRP A 6 -3.742 -11.515 0.149 1.00 43.53 H new ATOM 0 HB2 TRP A 6 -2.336 -9.085 -0.813 1.00 43.22 H new ATOM 0 HB3 TRP A 6 -3.170 -10.334 -1.717 1.00 43.22 H new ATOM 0 HD1 TRP A 6 -4.399 -7.448 0.682 1.00 72.24 H new ATOM 0 HE1 TRP A 6 -6.466 -6.341 -0.421 1.00 3.32 H new ATOM 0 HE3 TRP A 6 -4.598 -10.318 -3.492 1.00 31.30 H new ATOM 0 HZ2 TRP A 6 -7.944 -6.687 -2.804 1.00 20.11 H new ATOM 0 HZ3 TRP A 6 -6.354 -9.890 -5.165 1.00 20.32 H new ATOM 0 HH2 TRP A 6 -8.009 -8.094 -4.823 1.00 71.32 H new ATOM 260 N LYS A 7 -1.388 -11.947 0.751 1.00 60.22 N ATOM 261 CA LYS A 7 -0.059 -12.329 1.226 1.00 24.32 C ATOM 262 C LYS A 7 0.945 -12.305 0.083 1.00 55.24 C ATOM 263 O LYS A 7 0.562 -12.343 -1.088 1.00 63.54 O ATOM 264 CB LYS A 7 -0.117 -13.733 1.835 1.00 64.51 C ATOM 265 CG LYS A 7 -0.397 -14.828 0.816 1.00 73.52 C ATOM 266 CD LYS A 7 0.514 -16.032 1.020 1.00 63.34 C ATOM 267 CE LYS A 7 0.137 -17.189 0.103 1.00 44.11 C ATOM 268 NZ LYS A 7 -1.324 -17.218 -0.199 1.00 63.22 N ATOM 0 H LYS A 7 -1.856 -12.675 0.211 1.00 60.22 H new ATOM 0 HA LYS A 7 0.262 -11.614 1.984 1.00 24.32 H new ATOM 0 HB2 LYS A 7 0.830 -13.944 2.332 1.00 64.51 H new ATOM 0 HB3 LYS A 7 -0.891 -13.756 2.602 1.00 64.51 H new ATOM 0 HG2 LYS A 7 -1.438 -15.141 0.895 1.00 73.52 H new ATOM 0 HG3 LYS A 7 -0.259 -14.433 -0.190 1.00 73.52 H new ATOM 0 HD2 LYS A 7 1.548 -15.742 0.832 1.00 63.34 H new ATOM 0 HD3 LYS A 7 0.458 -16.358 2.059 1.00 63.34 H new ATOM 0 HE2 LYS A 7 0.697 -17.109 -0.829 1.00 44.11 H new ATOM 0 HE3 LYS A 7 0.428 -18.130 0.570 1.00 44.11 H new ATOM 0 HZ1 LYS A 7 -1.573 -18.136 -0.620 1.00 63.22 H new ATOM 0 HZ2 LYS A 7 -1.863 -17.082 0.680 1.00 63.22 H new ATOM 0 HZ3 LYS A 7 -1.555 -16.456 -0.868 1.00 63.22 H new ATOM 282 N VAL A 8 2.230 -12.251 0.423 1.00 72.24 N ATOM 283 CA VAL A 8 3.269 -12.237 -0.592 1.00 61.43 C ATOM 284 C VAL A 8 3.237 -13.524 -1.393 1.00 22.33 C ATOM 285 O VAL A 8 3.695 -14.575 -0.935 1.00 12.22 O ATOM 286 CB VAL A 8 4.678 -12.054 0.001 1.00 12.31 C ATOM 287 CG1 VAL A 8 5.750 -12.488 -0.993 1.00 15.10 C ATOM 288 CG2 VAL A 8 4.912 -10.621 0.383 1.00 1.21 C ATOM 0 H VAL A 8 2.570 -12.217 1.384 1.00 72.24 H new ATOM 0 HA VAL A 8 3.062 -11.381 -1.235 1.00 61.43 H new ATOM 0 HB VAL A 8 4.742 -12.680 0.891 1.00 12.31 H new ATOM 0 HG11 VAL A 8 6.736 -12.348 -0.549 1.00 15.10 H new ATOM 0 HG12 VAL A 8 5.610 -13.540 -1.243 1.00 15.10 H new ATOM 0 HG13 VAL A 8 5.671 -11.886 -1.899 1.00 15.10 H new ATOM 0 HG21 VAL A 8 5.914 -10.514 0.800 1.00 1.21 H new ATOM 0 HG22 VAL A 8 4.817 -9.989 -0.500 1.00 1.21 H new ATOM 0 HG23 VAL A 8 4.175 -10.318 1.127 1.00 1.21 H new ATOM 298 N ASP A 9 2.702 -13.428 -2.590 1.00 13.03 N ATOM 299 CA ASP A 9 2.615 -14.565 -3.475 1.00 45.52 C ATOM 300 C ASP A 9 3.789 -14.557 -4.445 1.00 52.21 C ATOM 301 O ASP A 9 4.170 -15.602 -4.976 1.00 1.15 O ATOM 302 CB ASP A 9 1.288 -14.528 -4.214 1.00 72.11 C ATOM 303 CG ASP A 9 0.365 -15.651 -3.780 1.00 25.33 C ATOM 304 OD1 ASP A 9 -0.066 -15.651 -2.607 1.00 3.20 O ATOM 305 OD2 ASP A 9 0.073 -16.533 -4.613 1.00 43.25 O ATOM 0 H ASP A 9 2.318 -12.565 -2.974 1.00 13.03 H new ATOM 0 HA ASP A 9 2.663 -15.489 -2.898 1.00 45.52 H new ATOM 0 HB2 ASP A 9 0.801 -13.569 -4.037 1.00 72.11 H new ATOM 0 HB3 ASP A 9 1.468 -14.601 -5.287 1.00 72.11 H new ATOM 310 N ARG A 10 4.371 -13.367 -4.660 1.00 71.31 N ATOM 311 CA ARG A 10 5.513 -13.220 -5.551 1.00 41.02 C ATOM 312 C ARG A 10 6.042 -11.785 -5.564 1.00 34.12 C ATOM 313 O ARG A 10 5.430 -10.876 -5.000 1.00 0.20 O ATOM 314 CB ARG A 10 5.131 -13.642 -6.972 1.00 41.02 C ATOM 315 CG ARG A 10 3.859 -12.971 -7.472 1.00 34.10 C ATOM 316 CD ARG A 10 2.897 -13.975 -8.086 1.00 23.53 C ATOM 317 NE ARG A 10 3.111 -14.129 -9.527 1.00 62.43 N ATOM 318 CZ ARG A 10 2.137 -14.100 -10.445 1.00 74.41 C ATOM 319 NH1 ARG A 10 0.862 -13.962 -10.082 1.00 40.23 N ATOM 320 NH2 ARG A 10 2.441 -14.214 -11.735 1.00 71.31 N ATOM 0 H ARG A 10 4.063 -12.497 -4.225 1.00 71.31 H new ATOM 0 HA ARG A 10 6.306 -13.867 -5.177 1.00 41.02 H new ATOM 0 HB2 ARG A 10 5.951 -13.403 -7.649 1.00 41.02 H new ATOM 0 HB3 ARG A 10 5.000 -14.724 -7.001 1.00 41.02 H new ATOM 0 HG2 ARG A 10 3.369 -12.457 -6.645 1.00 34.10 H new ATOM 0 HG3 ARG A 10 4.115 -12.213 -8.212 1.00 34.10 H new ATOM 0 HD2 ARG A 10 3.019 -14.941 -7.596 1.00 23.53 H new ATOM 0 HD3 ARG A 10 1.872 -13.653 -7.904 1.00 23.53 H new ATOM 0 HE ARG A 10 4.067 -14.268 -9.853 1.00 62.43 H new ATOM 0 HH11 ARG A 10 0.619 -13.877 -9.095 1.00 40.23 H new ATOM 0 HH12 ARG A 10 0.129 -13.941 -10.791 1.00 40.23 H new ATOM 0 HH21 ARG A 10 3.414 -14.323 -12.022 1.00 71.31 H new ATOM 0 HH22 ARG A 10 1.701 -14.192 -12.437 1.00 71.31 H new ATOM 334 N SER A 11 7.187 -11.601 -6.221 1.00 53.11 N ATOM 335 CA SER A 11 7.823 -10.292 -6.332 1.00 4.00 C ATOM 336 C SER A 11 8.626 -10.188 -7.631 1.00 54.52 C ATOM 337 O SER A 11 8.761 -11.169 -8.367 1.00 54.02 O ATOM 338 CB SER A 11 8.732 -10.040 -5.126 1.00 44.14 C ATOM 339 OG SER A 11 9.741 -11.033 -5.022 1.00 42.23 O ATOM 0 H SER A 11 7.696 -12.351 -6.688 1.00 53.11 H new ATOM 0 HA SER A 11 7.042 -9.532 -6.349 1.00 4.00 H new ATOM 0 HB2 SER A 11 9.195 -9.057 -5.216 1.00 44.14 H new ATOM 0 HB3 SER A 11 8.135 -10.029 -4.214 1.00 44.14 H new ATOM 0 HG SER A 11 10.306 -10.845 -4.244 1.00 42.23 H new ATOM 345 N GLU A 12 9.157 -8.997 -7.911 1.00 12.23 N ATOM 346 CA GLU A 12 9.942 -8.773 -9.121 1.00 60.12 C ATOM 347 C GLU A 12 10.984 -7.682 -8.906 1.00 60.42 C ATOM 348 O GLU A 12 10.658 -6.585 -8.447 1.00 61.43 O ATOM 349 CB GLU A 12 9.032 -8.378 -10.285 1.00 64.25 C ATOM 350 CG GLU A 12 8.484 -9.562 -11.068 1.00 53.14 C ATOM 351 CD GLU A 12 8.350 -9.271 -12.551 1.00 60.25 C ATOM 352 OE1 GLU A 12 9.340 -9.464 -13.286 1.00 22.13 O ATOM 353 OE2 GLU A 12 7.256 -8.847 -12.978 1.00 0.03 O ATOM 0 H GLU A 12 9.057 -8.175 -7.316 1.00 12.23 H new ATOM 0 HA GLU A 12 10.453 -9.706 -9.359 1.00 60.12 H new ATOM 0 HB2 GLU A 12 8.197 -7.793 -9.899 1.00 64.25 H new ATOM 0 HB3 GLU A 12 9.587 -7.731 -10.964 1.00 64.25 H new ATOM 0 HG2 GLU A 12 9.141 -10.420 -10.928 1.00 53.14 H new ATOM 0 HG3 GLU A 12 7.509 -9.838 -10.666 1.00 53.14 H new ATOM 360 N ASN A 13 12.232 -7.990 -9.258 1.00 31.20 N ATOM 361 CA ASN A 13 13.342 -7.041 -9.136 1.00 42.23 C ATOM 362 C ASN A 13 13.737 -6.760 -7.678 1.00 61.22 C ATOM 363 O ASN A 13 14.639 -5.958 -7.430 1.00 22.31 O ATOM 364 CB ASN A 13 12.987 -5.727 -9.843 1.00 75.24 C ATOM 365 CG ASN A 13 14.206 -4.887 -10.156 1.00 53.02 C ATOM 366 OD1 ASN A 13 14.641 -4.094 -9.187 1.00 53.23 O flip ATOM 367 ND2 ASN A 13 14.754 -4.953 -11.255 1.00 4.24 N flip ATOM 0 H ASN A 13 12.503 -8.899 -9.634 1.00 31.20 H new ATOM 0 HA ASN A 13 14.206 -7.504 -9.614 1.00 42.23 H new ATOM 0 HB2 ASN A 13 12.456 -5.949 -10.769 1.00 75.24 H new ATOM 0 HB3 ASN A 13 12.306 -5.153 -9.214 1.00 75.24 H new ATOM 0 HD21 ASN A 13 14.385 -5.578 -11.972 1.00 4.24 H new ATOM 0 HD22 ASN A 13 15.577 -4.383 -11.449 1.00 4.24 H new ATOM 374 N TYR A 14 13.084 -7.415 -6.712 1.00 43.02 N ATOM 375 CA TYR A 14 13.410 -7.204 -5.297 1.00 4.22 C ATOM 376 C TYR A 14 14.909 -7.310 -5.057 1.00 1.00 C ATOM 377 O TYR A 14 15.467 -6.606 -4.212 1.00 20.22 O ATOM 378 CB TYR A 14 12.699 -8.236 -4.421 1.00 75.13 C ATOM 379 CG TYR A 14 12.570 -7.830 -2.968 1.00 40.31 C ATOM 380 CD1 TYR A 14 12.085 -6.577 -2.611 1.00 44.41 C ATOM 381 CD2 TYR A 14 12.936 -8.704 -1.951 1.00 32.44 C ATOM 382 CE1 TYR A 14 11.971 -6.208 -1.284 1.00 63.31 C ATOM 383 CE2 TYR A 14 12.825 -8.343 -0.623 1.00 42.42 C ATOM 384 CZ TYR A 14 12.342 -7.094 -0.295 1.00 34.41 C ATOM 385 OH TYR A 14 12.230 -6.728 1.027 1.00 23.24 O ATOM 0 H TYR A 14 12.336 -8.088 -6.880 1.00 43.02 H new ATOM 0 HA TYR A 14 13.074 -6.201 -5.033 1.00 4.22 H new ATOM 0 HB2 TYR A 14 11.703 -8.417 -4.826 1.00 75.13 H new ATOM 0 HB3 TYR A 14 13.242 -9.180 -4.477 1.00 75.13 H new ATOM 0 HD1 TYR A 14 11.793 -5.881 -3.383 1.00 44.41 H new ATOM 0 HD2 TYR A 14 13.314 -9.683 -2.204 1.00 32.44 H new ATOM 0 HE1 TYR A 14 11.593 -5.230 -1.023 1.00 63.31 H new ATOM 0 HE2 TYR A 14 13.115 -9.035 0.154 1.00 42.42 H new ATOM 0 HH TYR A 14 12.299 -7.524 1.594 1.00 23.24 H new ATOM 395 N ASP A 15 15.543 -8.212 -5.800 1.00 23.35 N ATOM 396 CA ASP A 15 16.971 -8.455 -5.685 1.00 72.42 C ATOM 397 C ASP A 15 17.783 -7.155 -5.645 1.00 14.04 C ATOM 398 O ASP A 15 18.677 -7.006 -4.815 1.00 21.24 O ATOM 399 CB ASP A 15 17.447 -9.332 -6.848 1.00 2.15 C ATOM 400 CG ASP A 15 17.190 -8.700 -8.206 1.00 40.42 C ATOM 401 OD1 ASP A 15 16.044 -8.786 -8.693 1.00 21.43 O ATOM 402 OD2 ASP A 15 18.133 -8.113 -8.780 1.00 0.44 O ATOM 0 H ASP A 15 15.078 -8.793 -6.498 1.00 23.35 H new ATOM 0 HA ASP A 15 17.137 -8.971 -4.739 1.00 72.42 H new ATOM 0 HB2 ASP A 15 18.514 -9.525 -6.738 1.00 2.15 H new ATOM 0 HB3 ASP A 15 16.942 -10.297 -6.800 1.00 2.15 H new ATOM 407 N LYS A 16 17.478 -6.225 -6.552 1.00 23.40 N ATOM 408 CA LYS A 16 18.201 -4.953 -6.618 1.00 32.21 C ATOM 409 C LYS A 16 17.807 -4.002 -5.485 1.00 43.24 C ATOM 410 O LYS A 16 18.640 -3.234 -5.004 1.00 11.02 O ATOM 411 CB LYS A 16 17.969 -4.274 -7.968 1.00 74.53 C ATOM 412 CG LYS A 16 19.199 -3.556 -8.501 1.00 53.44 C ATOM 413 CD LYS A 16 19.426 -3.858 -9.973 1.00 13.01 C ATOM 414 CE LYS A 16 20.077 -5.221 -10.169 1.00 5.42 C ATOM 415 NZ LYS A 16 19.118 -6.236 -10.695 1.00 13.00 N ATOM 0 H LYS A 16 16.739 -6.327 -7.248 1.00 23.40 H new ATOM 0 HA LYS A 16 19.260 -5.184 -6.503 1.00 32.21 H new ATOM 0 HB2 LYS A 16 17.652 -5.023 -8.693 1.00 74.53 H new ATOM 0 HB3 LYS A 16 17.153 -3.558 -7.871 1.00 74.53 H new ATOM 0 HG2 LYS A 16 19.083 -2.481 -8.363 1.00 53.44 H new ATOM 0 HG3 LYS A 16 20.075 -3.858 -7.927 1.00 53.44 H new ATOM 0 HD2 LYS A 16 18.474 -3.829 -10.503 1.00 13.01 H new ATOM 0 HD3 LYS A 16 20.058 -3.085 -10.411 1.00 13.01 H new ATOM 0 HE2 LYS A 16 20.916 -5.125 -10.859 1.00 5.42 H new ATOM 0 HE3 LYS A 16 20.484 -5.567 -9.219 1.00 5.42 H new ATOM 0 HZ1 LYS A 16 19.590 -6.819 -11.415 1.00 13.00 H new ATOM 0 HZ2 LYS A 16 18.793 -6.844 -9.916 1.00 13.00 H new ATOM 0 HZ3 LYS A 16 18.301 -5.754 -11.121 1.00 13.00 H new ATOM 429 N PHE A 17 16.540 -4.046 -5.068 1.00 21.32 N ATOM 430 CA PHE A 17 16.053 -3.174 -3.995 1.00 53.14 C ATOM 431 C PHE A 17 16.801 -3.432 -2.683 1.00 54.05 C ATOM 432 O PHE A 17 17.115 -2.492 -1.949 1.00 22.43 O ATOM 433 CB PHE A 17 14.543 -3.367 -3.793 1.00 53.54 C ATOM 434 CG PHE A 17 13.976 -2.594 -2.631 1.00 63.54 C ATOM 435 CD1 PHE A 17 13.534 -1.286 -2.790 1.00 14.05 C ATOM 436 CD2 PHE A 17 13.881 -3.180 -1.378 1.00 2.03 C ATOM 437 CE1 PHE A 17 13.012 -0.584 -1.722 1.00 5.21 C ATOM 438 CE2 PHE A 17 13.359 -2.481 -0.308 1.00 31.31 C ATOM 439 CZ PHE A 17 12.925 -1.182 -0.480 1.00 2.31 C ATOM 0 H PHE A 17 15.834 -4.673 -5.455 1.00 21.32 H new ATOM 0 HA PHE A 17 16.242 -2.142 -4.292 1.00 53.14 H new ATOM 0 HB2 PHE A 17 14.024 -3.067 -4.703 1.00 53.54 H new ATOM 0 HB3 PHE A 17 14.339 -4.427 -3.645 1.00 53.54 H new ATOM 0 HD1 PHE A 17 13.600 -0.814 -3.759 1.00 14.05 H new ATOM 0 HD2 PHE A 17 14.220 -4.196 -1.237 1.00 2.03 H new ATOM 0 HE1 PHE A 17 12.672 0.432 -1.858 1.00 5.21 H new ATOM 0 HE2 PHE A 17 13.290 -2.950 0.662 1.00 31.31 H new ATOM 0 HZ PHE A 17 12.518 -0.633 0.356 1.00 2.31 H new ATOM 449 N MET A 18 17.084 -4.704 -2.392 1.00 12.41 N ATOM 450 CA MET A 18 17.793 -5.074 -1.162 1.00 32.52 C ATOM 451 C MET A 18 19.295 -4.819 -1.276 1.00 1.44 C ATOM 452 O MET A 18 19.912 -4.310 -0.339 1.00 55.44 O ATOM 453 CB MET A 18 17.534 -6.543 -0.797 1.00 14.21 C ATOM 454 CG MET A 18 17.680 -7.510 -1.962 1.00 20.12 C ATOM 455 SD MET A 18 17.873 -9.222 -1.430 1.00 35.30 S ATOM 456 CE MET A 18 16.221 -9.854 -1.701 1.00 2.42 C ATOM 0 H MET A 18 16.835 -5.493 -2.988 1.00 12.41 H new ATOM 0 HA MET A 18 17.402 -4.440 -0.366 1.00 32.52 H new ATOM 0 HB2 MET A 18 18.225 -6.837 -0.007 1.00 14.21 H new ATOM 0 HB3 MET A 18 16.527 -6.632 -0.389 1.00 14.21 H new ATOM 0 HG2 MET A 18 16.804 -7.431 -2.606 1.00 20.12 H new ATOM 0 HG3 MET A 18 18.543 -7.221 -2.562 1.00 20.12 H new ATOM 0 HE1 MET A 18 16.237 -10.943 -1.658 1.00 2.42 H new ATOM 0 HE2 MET A 18 15.554 -9.470 -0.929 1.00 2.42 H new ATOM 0 HE3 MET A 18 15.865 -9.534 -2.680 1.00 2.42 H new ATOM 466 N GLU A 19 19.881 -5.168 -2.421 1.00 33.14 N ATOM 467 CA GLU A 19 21.314 -4.967 -2.635 1.00 12.13 C ATOM 468 C GLU A 19 21.665 -3.473 -2.688 1.00 73.11 C ATOM 469 O GLU A 19 22.789 -3.085 -2.367 1.00 14.15 O ATOM 470 CB GLU A 19 21.772 -5.671 -3.918 1.00 43.55 C ATOM 471 CG GLU A 19 21.393 -7.147 -3.972 1.00 64.34 C ATOM 472 CD GLU A 19 22.595 -8.072 -4.031 1.00 11.02 C ATOM 473 OE1 GLU A 19 23.290 -8.212 -3.000 1.00 3.41 O ATOM 474 OE2 GLU A 19 22.836 -8.662 -5.107 1.00 42.41 O ATOM 0 H GLU A 19 19.390 -5.588 -3.210 1.00 33.14 H new ATOM 0 HA GLU A 19 21.842 -5.406 -1.789 1.00 12.13 H new ATOM 0 HB2 GLU A 19 21.337 -5.161 -4.778 1.00 43.55 H new ATOM 0 HB3 GLU A 19 22.854 -5.579 -4.007 1.00 43.55 H new ATOM 0 HG2 GLU A 19 20.795 -7.394 -3.095 1.00 64.34 H new ATOM 0 HG3 GLU A 19 20.765 -7.322 -4.845 1.00 64.34 H new ATOM 481 N LYS A 20 20.695 -2.637 -3.087 1.00 34.31 N ATOM 482 CA LYS A 20 20.907 -1.189 -3.170 1.00 75.12 C ATOM 483 C LYS A 20 21.230 -0.600 -1.802 1.00 52.41 C ATOM 484 O LYS A 20 22.266 0.045 -1.626 1.00 0.31 O ATOM 485 CB LYS A 20 19.680 -0.494 -3.749 1.00 1.30 C ATOM 486 CG LYS A 20 20.040 0.620 -4.709 1.00 71.41 C ATOM 487 CD LYS A 20 19.640 0.275 -6.131 1.00 42.03 C ATOM 488 CE LYS A 20 19.565 1.513 -7.007 1.00 31.24 C ATOM 489 NZ LYS A 20 20.340 1.361 -8.271 1.00 51.13 N ATOM 0 H LYS A 20 19.759 -2.940 -3.356 1.00 34.31 H new ATOM 0 HA LYS A 20 21.757 -1.021 -3.832 1.00 75.12 H new ATOM 0 HB2 LYS A 20 19.061 -1.228 -4.266 1.00 1.30 H new ATOM 0 HB3 LYS A 20 19.080 -0.087 -2.935 1.00 1.30 H new ATOM 0 HG2 LYS A 20 19.544 1.541 -4.403 1.00 71.41 H new ATOM 0 HG3 LYS A 20 21.113 0.807 -4.666 1.00 71.41 H new ATOM 0 HD2 LYS A 20 20.360 -0.426 -6.552 1.00 42.03 H new ATOM 0 HD3 LYS A 20 18.672 -0.227 -6.126 1.00 42.03 H new ATOM 0 HE2 LYS A 20 18.523 1.723 -7.246 1.00 31.24 H new ATOM 0 HE3 LYS A 20 19.944 2.371 -6.452 1.00 31.24 H new ATOM 0 HZ1 LYS A 20 19.916 1.955 -9.012 1.00 51.13 H new ATOM 0 HZ2 LYS A 20 21.325 1.656 -8.112 1.00 51.13 H new ATOM 0 HZ3 LYS A 20 20.321 0.366 -8.572 1.00 51.13 H new ATOM 503 N MET A 21 20.339 -0.831 -0.836 1.00 1.05 N ATOM 504 CA MET A 21 20.529 -0.332 0.524 1.00 41.22 C ATOM 505 C MET A 21 21.876 -0.792 1.084 1.00 13.10 C ATOM 506 O MET A 21 22.515 -0.082 1.863 1.00 1.00 O ATOM 507 CB MET A 21 19.402 -0.827 1.434 1.00 53.53 C ATOM 508 CG MET A 21 18.576 0.289 2.047 1.00 51.42 C ATOM 509 SD MET A 21 17.904 1.412 0.809 1.00 13.44 S ATOM 510 CE MET A 21 16.601 0.406 0.108 1.00 34.41 C ATOM 0 H MET A 21 19.478 -1.361 -0.972 1.00 1.05 H new ATOM 0 HA MET A 21 20.513 0.757 0.490 1.00 41.22 H new ATOM 0 HB2 MET A 21 18.745 -1.480 0.860 1.00 53.53 H new ATOM 0 HB3 MET A 21 19.832 -1.430 2.234 1.00 53.53 H new ATOM 0 HG2 MET A 21 17.758 -0.143 2.623 1.00 51.42 H new ATOM 0 HG3 MET A 21 19.194 0.852 2.746 1.00 51.42 H new ATOM 0 HE1 MET A 21 16.034 0.995 -0.613 1.00 34.41 H new ATOM 0 HE2 MET A 21 17.038 -0.458 -0.393 1.00 34.41 H new ATOM 0 HE3 MET A 21 15.936 0.067 0.902 1.00 34.41 H new ATOM 520 N GLY A 22 22.288 -1.994 0.681 1.00 11.42 N ATOM 521 CA GLY A 22 23.552 -2.556 1.147 1.00 24.52 C ATOM 522 C GLY A 22 23.351 -3.614 2.220 1.00 42.12 C ATOM 523 O GLY A 22 24.166 -3.740 3.136 1.00 14.01 O ATOM 0 H GLY A 22 21.769 -2.592 0.038 1.00 11.42 H new ATOM 0 HA2 GLY A 22 24.086 -2.994 0.303 1.00 24.52 H new ATOM 0 HA3 GLY A 22 24.180 -1.757 1.541 1.00 24.52 H new ATOM 527 N VAL A 23 22.249 -4.356 2.112 1.00 74.24 N ATOM 528 CA VAL A 23 21.901 -5.395 3.077 1.00 22.24 C ATOM 529 C VAL A 23 22.846 -6.600 3.007 1.00 4.44 C ATOM 530 O VAL A 23 23.234 -7.046 1.924 1.00 54.54 O ATOM 531 CB VAL A 23 20.445 -5.865 2.860 1.00 62.42 C ATOM 532 CG1 VAL A 23 20.031 -6.866 3.923 1.00 63.14 C ATOM 533 CG2 VAL A 23 19.492 -4.678 2.852 1.00 52.34 C ATOM 0 H VAL A 23 21.574 -4.253 1.354 1.00 74.24 H new ATOM 0 HA VAL A 23 22.003 -4.952 4.068 1.00 22.24 H new ATOM 0 HB VAL A 23 20.395 -6.358 1.889 1.00 62.42 H new ATOM 0 HG11 VAL A 23 19.002 -7.180 3.746 1.00 63.14 H new ATOM 0 HG12 VAL A 23 20.688 -7.735 3.880 1.00 63.14 H new ATOM 0 HG13 VAL A 23 20.105 -6.403 4.907 1.00 63.14 H new ATOM 0 HG21 VAL A 23 18.472 -5.031 2.698 1.00 52.34 H new ATOM 0 HG22 VAL A 23 19.555 -4.155 3.806 1.00 52.34 H new ATOM 0 HG23 VAL A 23 19.766 -3.997 2.046 1.00 52.34 H new ATOM 543 N ASN A 24 23.197 -7.121 4.186 1.00 11.41 N ATOM 544 CA ASN A 24 24.081 -8.276 4.310 1.00 23.14 C ATOM 545 C ASN A 24 23.370 -9.561 3.886 1.00 0.10 C ATOM 546 O ASN A 24 22.146 -9.658 3.975 1.00 72.22 O ATOM 547 CB ASN A 24 24.559 -8.388 5.756 1.00 54.24 C ATOM 548 CG ASN A 24 25.399 -9.615 5.997 1.00 14.23 C ATOM 549 OD1 ASN A 24 26.445 -9.803 5.377 1.00 55.42 O ATOM 550 ND2 ASN A 24 24.942 -10.464 6.895 1.00 33.20 N ATOM 0 H ASN A 24 22.874 -6.751 5.080 1.00 11.41 H new ATOM 0 HA ASN A 24 24.937 -8.137 3.650 1.00 23.14 H new ATOM 0 HB2 ASN A 24 25.137 -7.501 6.013 1.00 54.24 H new ATOM 0 HB3 ASN A 24 23.695 -8.408 6.420 1.00 54.24 H new ATOM 0 HD21 ASN A 24 25.461 -11.318 7.100 1.00 33.20 H new ATOM 0 HD22 ASN A 24 24.069 -10.267 7.385 1.00 33.20 H new ATOM 557 N ILE A 25 24.152 -10.541 3.429 1.00 54.42 N ATOM 558 CA ILE A 25 23.617 -11.830 2.985 1.00 72.22 C ATOM 559 C ILE A 25 22.565 -12.380 3.954 1.00 12.24 C ATOM 560 O ILE A 25 21.511 -12.852 3.530 1.00 42.11 O ATOM 561 CB ILE A 25 24.746 -12.873 2.806 1.00 13.12 C ATOM 562 CG1 ILE A 25 24.180 -14.196 2.278 1.00 61.22 C ATOM 563 CG2 ILE A 25 25.500 -13.094 4.113 1.00 44.35 C ATOM 564 CD1 ILE A 25 25.226 -15.098 1.659 1.00 52.24 C ATOM 0 H ILE A 25 25.167 -10.465 3.356 1.00 54.42 H new ATOM 0 HA ILE A 25 23.138 -11.651 2.023 1.00 72.22 H new ATOM 0 HB ILE A 25 25.452 -12.483 2.072 1.00 13.12 H new ATOM 0 HG12 ILE A 25 23.694 -14.726 3.097 1.00 61.22 H new ATOM 0 HG13 ILE A 25 23.411 -13.982 1.536 1.00 61.22 H new ATOM 0 HG21 ILE A 25 26.288 -13.832 3.958 1.00 44.35 H new ATOM 0 HG22 ILE A 25 25.943 -12.154 4.441 1.00 44.35 H new ATOM 0 HG23 ILE A 25 24.809 -13.455 4.875 1.00 44.35 H new ATOM 0 HD11 ILE A 25 24.754 -16.015 1.307 1.00 52.24 H new ATOM 0 HD12 ILE A 25 25.696 -14.587 0.819 1.00 52.24 H new ATOM 0 HD13 ILE A 25 25.983 -15.342 2.404 1.00 52.24 H new ATOM 576 N VAL A 26 22.858 -12.309 5.252 1.00 2.11 N ATOM 577 CA VAL A 26 21.936 -12.801 6.283 1.00 13.11 C ATOM 578 C VAL A 26 20.696 -11.909 6.395 1.00 2.32 C ATOM 579 O VAL A 26 19.574 -12.403 6.546 1.00 72.11 O ATOM 580 CB VAL A 26 22.628 -12.888 7.662 1.00 65.13 C ATOM 581 CG1 VAL A 26 21.688 -13.469 8.708 1.00 20.43 C ATOM 582 CG2 VAL A 26 23.903 -13.716 7.571 1.00 61.24 C ATOM 0 H VAL A 26 23.725 -11.916 5.618 1.00 2.11 H new ATOM 0 HA VAL A 26 21.627 -13.801 5.978 1.00 13.11 H new ATOM 0 HB VAL A 26 22.894 -11.877 7.970 1.00 65.13 H new ATOM 0 HG11 VAL A 26 22.200 -13.519 9.669 1.00 20.43 H new ATOM 0 HG12 VAL A 26 20.807 -12.833 8.799 1.00 20.43 H new ATOM 0 HG13 VAL A 26 21.383 -14.471 8.407 1.00 20.43 H new ATOM 0 HG21 VAL A 26 24.376 -13.765 8.552 1.00 61.24 H new ATOM 0 HG22 VAL A 26 23.659 -14.724 7.234 1.00 61.24 H new ATOM 0 HG23 VAL A 26 24.588 -13.252 6.861 1.00 61.24 H new ATOM 592 N LYS A 27 20.908 -10.597 6.313 1.00 23.21 N ATOM 593 CA LYS A 27 19.820 -9.628 6.398 1.00 0.55 C ATOM 594 C LYS A 27 18.886 -9.749 5.193 1.00 35.41 C ATOM 595 O LYS A 27 17.681 -9.521 5.310 1.00 2.44 O ATOM 596 CB LYS A 27 20.382 -8.208 6.495 1.00 75.22 C ATOM 597 CG LYS A 27 21.002 -7.880 7.845 1.00 2.03 C ATOM 598 CD LYS A 27 20.008 -8.067 8.982 1.00 3.04 C ATOM 599 CE LYS A 27 20.404 -7.268 10.215 1.00 63.21 C ATOM 600 NZ LYS A 27 19.776 -5.916 10.233 1.00 32.42 N ATOM 0 H LYS A 27 21.830 -10.180 6.187 1.00 23.21 H new ATOM 0 HA LYS A 27 19.243 -9.841 7.298 1.00 0.55 H new ATOM 0 HB2 LYS A 27 21.134 -8.072 5.718 1.00 75.22 H new ATOM 0 HB3 LYS A 27 19.582 -7.497 6.292 1.00 75.22 H new ATOM 0 HG2 LYS A 27 21.870 -8.518 8.012 1.00 2.03 H new ATOM 0 HG3 LYS A 27 21.360 -6.850 7.840 1.00 2.03 H new ATOM 0 HD2 LYS A 27 19.016 -7.759 8.652 1.00 3.04 H new ATOM 0 HD3 LYS A 27 19.944 -9.124 9.239 1.00 3.04 H new ATOM 0 HE2 LYS A 27 20.111 -7.815 11.111 1.00 63.21 H new ATOM 0 HE3 LYS A 27 21.489 -7.164 10.246 1.00 63.21 H new ATOM 0 HZ1 LYS A 27 20.073 -5.407 11.090 1.00 32.42 H new ATOM 0 HZ2 LYS A 27 20.076 -5.383 9.392 1.00 32.42 H new ATOM 0 HZ3 LYS A 27 18.741 -6.014 10.230 1.00 32.42 H new ATOM 614 N ARG A 28 19.444 -10.125 4.038 1.00 35.42 N ATOM 615 CA ARG A 28 18.646 -10.294 2.826 1.00 73.41 C ATOM 616 C ARG A 28 17.865 -11.613 2.875 1.00 21.31 C ATOM 617 O ARG A 28 16.831 -11.749 2.222 1.00 20.24 O ATOM 618 CB ARG A 28 19.532 -10.262 1.571 1.00 14.03 C ATOM 619 CG ARG A 28 20.406 -9.018 1.455 1.00 43.03 C ATOM 620 CD ARG A 28 20.802 -8.729 0.012 1.00 43.33 C ATOM 621 NE ARG A 28 21.386 -9.893 -0.655 1.00 51.53 N ATOM 622 CZ ARG A 28 22.677 -10.237 -0.573 1.00 40.33 C ATOM 623 NH1 ARG A 28 23.520 -9.520 0.169 1.00 72.33 N ATOM 624 NH2 ARG A 28 23.123 -11.303 -1.231 1.00 53.35 N ATOM 0 H ARG A 28 20.439 -10.316 3.920 1.00 35.42 H new ATOM 0 HA ARG A 28 17.942 -9.464 2.775 1.00 73.41 H new ATOM 0 HB2 ARG A 28 20.173 -11.144 1.569 1.00 14.03 H new ATOM 0 HB3 ARG A 28 18.896 -10.329 0.689 1.00 14.03 H new ATOM 0 HG2 ARG A 28 19.871 -8.160 1.863 1.00 43.03 H new ATOM 0 HG3 ARG A 28 21.305 -9.149 2.058 1.00 43.03 H new ATOM 0 HD2 ARG A 28 19.924 -8.400 -0.543 1.00 43.33 H new ATOM 0 HD3 ARG A 28 21.518 -7.907 -0.007 1.00 43.33 H new ATOM 0 HE ARG A 28 20.770 -10.480 -1.218 1.00 51.53 H new ATOM 0 HH11 ARG A 28 23.183 -8.703 0.679 1.00 72.33 H new ATOM 0 HH12 ARG A 28 24.503 -9.788 0.227 1.00 72.33 H new ATOM 0 HH21 ARG A 28 22.482 -11.858 -1.798 1.00 53.35 H new ATOM 0 HH22 ARG A 28 24.107 -11.566 -1.169 1.00 53.35 H new ATOM 638 N LYS A 29 18.372 -12.581 3.650 1.00 42.34 N ATOM 639 CA LYS A 29 17.736 -13.890 3.783 1.00 71.22 C ATOM 640 C LYS A 29 16.335 -13.790 4.386 1.00 43.34 C ATOM 641 O LYS A 29 15.377 -14.296 3.801 1.00 45.01 O ATOM 642 CB LYS A 29 18.600 -14.823 4.638 1.00 55.42 C ATOM 643 CG LYS A 29 19.909 -15.228 3.975 1.00 13.50 C ATOM 644 CD LYS A 29 19.964 -16.724 3.698 1.00 64.11 C ATOM 645 CE LYS A 29 20.825 -17.456 4.719 1.00 44.41 C ATOM 646 NZ LYS A 29 20.189 -17.498 6.066 1.00 25.21 N ATOM 0 H LYS A 29 19.227 -12.477 4.196 1.00 42.34 H new ATOM 0 HA LYS A 29 17.640 -14.301 2.778 1.00 71.22 H new ATOM 0 HB2 LYS A 29 18.820 -14.332 5.586 1.00 55.42 H new ATOM 0 HB3 LYS A 29 18.028 -15.721 4.870 1.00 55.42 H new ATOM 0 HG2 LYS A 29 20.027 -14.681 3.040 1.00 13.50 H new ATOM 0 HG3 LYS A 29 20.744 -14.946 4.617 1.00 13.50 H new ATOM 0 HD2 LYS A 29 18.954 -17.134 3.713 1.00 64.11 H new ATOM 0 HD3 LYS A 29 20.362 -16.894 2.698 1.00 64.11 H new ATOM 0 HE2 LYS A 29 21.008 -18.474 4.374 1.00 44.41 H new ATOM 0 HE3 LYS A 29 21.795 -16.965 4.792 1.00 44.41 H new ATOM 0 HZ1 LYS A 29 20.810 -18.005 6.728 1.00 25.21 H new ATOM 0 HZ2 LYS A 29 20.037 -16.528 6.409 1.00 25.21 H new ATOM 0 HZ3 LYS A 29 19.275 -17.990 6.003 1.00 25.21 H new ATOM 660 N LEU A 30 16.203 -13.155 5.557 1.00 0.04 N ATOM 661 CA LEU A 30 14.887 -13.047 6.187 1.00 2.32 C ATOM 662 C LEU A 30 14.022 -11.953 5.569 1.00 0.13 C ATOM 663 O LEU A 30 12.803 -12.101 5.495 1.00 63.51 O ATOM 664 CB LEU A 30 14.964 -12.850 7.690 1.00 20.41 C ATOM 665 CG LEU A 30 16.108 -12.008 8.224 1.00 54.54 C ATOM 666 CD1 LEU A 30 16.026 -10.603 7.671 1.00 34.44 C ATOM 667 CD2 LEU A 30 16.035 -11.993 9.731 1.00 24.21 C ATOM 0 H LEU A 30 16.968 -12.721 6.073 1.00 0.04 H new ATOM 0 HA LEU A 30 14.411 -14.008 5.995 1.00 2.32 H new ATOM 0 HB2 LEU A 30 14.029 -12.396 8.019 1.00 20.41 H new ATOM 0 HB3 LEU A 30 15.023 -13.833 8.157 1.00 20.41 H new ATOM 0 HG LEU A 30 17.061 -12.435 7.911 1.00 54.54 H new ATOM 0 HD11 LEU A 30 16.852 -10.009 8.062 1.00 34.44 H new ATOM 0 HD12 LEU A 30 16.086 -10.636 6.583 1.00 34.44 H new ATOM 0 HD13 LEU A 30 15.081 -10.149 7.969 1.00 34.44 H new ATOM 0 HD21 LEU A 30 16.852 -11.391 10.129 1.00 24.21 H new ATOM 0 HD22 LEU A 30 15.083 -11.565 10.045 1.00 24.21 H new ATOM 0 HD23 LEU A 30 16.117 -13.012 10.109 1.00 24.21 H new ATOM 679 N ALA A 31 14.641 -10.862 5.115 1.00 13.00 N ATOM 680 CA ALA A 31 13.888 -9.773 4.495 1.00 53.21 C ATOM 681 C ALA A 31 13.300 -10.216 3.151 1.00 45.35 C ATOM 682 O ALA A 31 12.416 -9.555 2.602 1.00 64.14 O ATOM 683 CB ALA A 31 14.773 -8.547 4.317 1.00 32.31 C ATOM 0 H ALA A 31 15.648 -10.710 5.164 1.00 13.00 H new ATOM 0 HA ALA A 31 13.062 -9.508 5.155 1.00 53.21 H new ATOM 0 HB1 ALA A 31 14.196 -7.746 3.854 1.00 32.31 H new ATOM 0 HB2 ALA A 31 15.137 -8.217 5.290 1.00 32.31 H new ATOM 0 HB3 ALA A 31 15.620 -8.799 3.679 1.00 32.31 H new ATOM 689 N ALA A 32 13.789 -11.352 2.638 1.00 21.43 N ATOM 690 CA ALA A 32 13.309 -11.906 1.372 1.00 31.20 C ATOM 691 C ALA A 32 12.261 -12.990 1.624 1.00 72.33 C ATOM 692 O ALA A 32 11.317 -13.149 0.848 1.00 61.14 O ATOM 693 CB ALA A 32 14.471 -12.470 0.564 1.00 2.52 C ATOM 0 H ALA A 32 14.520 -11.905 3.085 1.00 21.43 H new ATOM 0 HA ALA A 32 12.845 -11.103 0.799 1.00 31.20 H new ATOM 0 HB1 ALA A 32 14.097 -12.878 -0.375 1.00 2.52 H new ATOM 0 HB2 ALA A 32 15.188 -11.676 0.354 1.00 2.52 H new ATOM 0 HB3 ALA A 32 14.961 -13.260 1.134 1.00 2.52 H new ATOM 699 N HIS A 33 12.438 -13.721 2.726 1.00 43.24 N ATOM 700 CA HIS A 33 11.524 -14.786 3.123 1.00 1.23 C ATOM 701 C HIS A 33 10.834 -14.398 4.431 1.00 61.14 C ATOM 702 O HIS A 33 10.683 -15.216 5.343 1.00 14.32 O ATOM 703 CB HIS A 33 12.290 -16.102 3.291 1.00 41.43 C ATOM 704 CG HIS A 33 13.064 -16.512 2.075 1.00 14.22 C ATOM 705 ND1 HIS A 33 14.361 -16.305 1.732 1.00 52.35 N flip ATOM 706 CD2 HIS A 33 12.509 -17.229 1.037 1.00 0.13 C flip ATOM 707 CE1 HIS A 33 14.558 -16.898 0.508 1.00 13.42 C flip ATOM 708 NE2 HIS A 33 13.424 -17.448 0.112 1.00 43.33 N flip ATOM 0 H HIS A 33 13.221 -13.589 3.367 1.00 43.24 H new ATOM 0 HA HIS A 33 10.769 -14.926 2.349 1.00 1.23 H new ATOM 0 HB2 HIS A 33 12.977 -16.007 4.132 1.00 41.43 H new ATOM 0 HB3 HIS A 33 11.584 -16.893 3.544 1.00 41.43 H new ATOM 0 HD1 HIS A 33 15.059 -15.803 2.280 1.00 52.35 H new ATOM 0 HD2 HIS A 33 11.482 -17.561 0.988 1.00 0.13 H new ATOM 0 HE1 HIS A 33 15.488 -16.912 -0.041 1.00 13.42 H new ATOM 716 N ASP A 34 10.441 -13.127 4.517 1.00 42.54 N ATOM 717 CA ASP A 34 9.796 -12.587 5.700 1.00 52.21 C ATOM 718 C ASP A 34 8.335 -13.038 5.815 1.00 21.13 C ATOM 719 O ASP A 34 7.781 -13.062 6.915 1.00 71.41 O ATOM 720 CB ASP A 34 9.906 -11.057 5.665 1.00 1.33 C ATOM 721 CG ASP A 34 8.660 -10.383 5.112 1.00 71.54 C ATOM 722 OD1 ASP A 34 8.528 -10.312 3.872 1.00 32.42 O ATOM 723 OD2 ASP A 34 7.820 -9.927 5.914 1.00 31.20 O ATOM 0 H ASP A 34 10.564 -12.448 3.766 1.00 42.54 H new ATOM 0 HA ASP A 34 10.303 -12.971 6.585 1.00 52.21 H new ATOM 0 HB2 ASP A 34 10.094 -10.689 6.674 1.00 1.33 H new ATOM 0 HB3 ASP A 34 10.765 -10.774 5.057 1.00 1.33 H new ATOM 728 N ASN A 35 7.713 -13.380 4.679 1.00 41.03 N ATOM 729 CA ASN A 35 6.315 -13.818 4.659 1.00 44.03 C ATOM 730 C ASN A 35 5.396 -12.652 5.011 1.00 60.43 C ATOM 731 O ASN A 35 4.567 -12.739 5.921 1.00 3.13 O ATOM 732 CB ASN A 35 6.091 -14.996 5.620 1.00 33.23 C ATOM 733 CG ASN A 35 6.620 -16.305 5.064 1.00 55.54 C ATOM 734 OD1 ASN A 35 5.861 -17.112 4.527 1.00 11.22 O ATOM 735 ND2 ASN A 35 7.926 -16.524 5.192 1.00 5.23 N ATOM 0 H ASN A 35 8.158 -13.361 3.762 1.00 41.03 H new ATOM 0 HA ASN A 35 6.076 -14.161 3.652 1.00 44.03 H new ATOM 0 HB2 ASN A 35 6.580 -14.784 6.571 1.00 33.23 H new ATOM 0 HB3 ASN A 35 5.025 -15.096 5.826 1.00 33.23 H new ATOM 0 HD21 ASN A 35 8.335 -17.389 4.838 1.00 5.23 H new ATOM 0 HD22 ASN A 35 8.518 -15.827 5.644 1.00 5.23 H new ATOM 742 N LEU A 36 5.569 -11.553 4.281 1.00 3.32 N ATOM 743 CA LEU A 36 4.787 -10.342 4.493 1.00 24.14 C ATOM 744 C LEU A 36 3.307 -10.557 4.170 1.00 43.34 C ATOM 745 O LEU A 36 2.925 -10.676 3.003 1.00 74.22 O ATOM 746 CB LEU A 36 5.354 -9.206 3.637 1.00 32.11 C ATOM 747 CG LEU A 36 4.862 -7.804 3.995 1.00 12.43 C ATOM 748 CD1 LEU A 36 5.570 -7.286 5.239 1.00 11.22 C ATOM 749 CD2 LEU A 36 5.077 -6.862 2.822 1.00 62.23 C ATOM 0 H LEU A 36 6.254 -11.479 3.528 1.00 3.32 H new ATOM 0 HA LEU A 36 4.857 -10.077 5.548 1.00 24.14 H new ATOM 0 HB2 LEU A 36 6.441 -9.222 3.717 1.00 32.11 H new ATOM 0 HB3 LEU A 36 5.108 -9.403 2.594 1.00 32.11 H new ATOM 0 HG LEU A 36 3.795 -7.853 4.212 1.00 12.43 H new ATOM 0 HD11 LEU A 36 5.205 -6.287 5.476 1.00 11.22 H new ATOM 0 HD12 LEU A 36 5.369 -7.954 6.077 1.00 11.22 H new ATOM 0 HD13 LEU A 36 6.644 -7.246 5.056 1.00 11.22 H new ATOM 0 HD21 LEU A 36 4.723 -5.865 3.086 1.00 62.23 H new ATOM 0 HD22 LEU A 36 6.139 -6.818 2.580 1.00 62.23 H new ATOM 0 HD23 LEU A 36 4.523 -7.226 1.957 1.00 62.23 H new ATOM 761 N LYS A 37 2.480 -10.588 5.215 1.00 71.12 N ATOM 762 CA LYS A 37 1.040 -10.765 5.055 1.00 60.54 C ATOM 763 C LYS A 37 0.351 -9.405 5.120 1.00 24.21 C ATOM 764 O LYS A 37 0.421 -8.720 6.142 1.00 3.53 O ATOM 765 CB LYS A 37 0.490 -11.694 6.142 1.00 11.53 C ATOM 766 CG LYS A 37 0.048 -13.053 5.619 1.00 13.02 C ATOM 767 CD LYS A 37 -0.807 -13.792 6.638 1.00 72.43 C ATOM 768 CE LYS A 37 -2.147 -13.101 6.848 1.00 71.34 C ATOM 769 NZ LYS A 37 -3.274 -13.851 6.224 1.00 32.13 N ATOM 0 H LYS A 37 2.786 -10.492 6.183 1.00 71.12 H new ATOM 0 HA LYS A 37 0.842 -11.222 4.085 1.00 60.54 H new ATOM 0 HB2 LYS A 37 1.255 -11.839 6.905 1.00 11.53 H new ATOM 0 HB3 LYS A 37 -0.356 -11.209 6.628 1.00 11.53 H new ATOM 0 HG2 LYS A 37 -0.516 -12.923 4.695 1.00 13.02 H new ATOM 0 HG3 LYS A 37 0.925 -13.653 5.375 1.00 13.02 H new ATOM 0 HD2 LYS A 37 -0.973 -14.815 6.301 1.00 72.43 H new ATOM 0 HD3 LYS A 37 -0.274 -13.851 7.587 1.00 72.43 H new ATOM 0 HE2 LYS A 37 -2.334 -12.992 7.916 1.00 71.34 H new ATOM 0 HE3 LYS A 37 -2.105 -12.096 6.427 1.00 71.34 H new ATOM 0 HZ1 LYS A 37 -3.609 -13.338 5.384 1.00 32.13 H new ATOM 0 HZ2 LYS A 37 -2.948 -14.798 5.944 1.00 32.13 H new ATOM 0 HZ3 LYS A 37 -4.052 -13.941 6.908 1.00 32.13 H new ATOM 783 N LEU A 38 -0.288 -9.007 4.020 1.00 53.05 N ATOM 784 CA LEU A 38 -0.956 -7.709 3.950 1.00 55.31 C ATOM 785 C LEU A 38 -2.472 -7.815 4.078 1.00 42.42 C ATOM 786 O LEU A 38 -3.106 -8.691 3.492 1.00 35.15 O ATOM 787 CB LEU A 38 -0.615 -7.007 2.633 1.00 51.31 C ATOM 788 CG LEU A 38 0.600 -6.080 2.681 1.00 54.31 C ATOM 789 CD1 LEU A 38 1.865 -6.874 2.955 1.00 13.53 C ATOM 790 CD2 LEU A 38 0.727 -5.298 1.381 1.00 32.41 C ATOM 0 H LEU A 38 -0.357 -9.563 3.168 1.00 53.05 H new ATOM 0 HA LEU A 38 -0.591 -7.129 4.797 1.00 55.31 H new ATOM 0 HB2 LEU A 38 -0.442 -7.766 1.870 1.00 51.31 H new ATOM 0 HB3 LEU A 38 -1.481 -6.427 2.315 1.00 51.31 H new ATOM 0 HG LEU A 38 0.459 -5.369 3.495 1.00 54.31 H new ATOM 0 HD11 LEU A 38 2.719 -6.198 2.986 1.00 13.53 H new ATOM 0 HD12 LEU A 38 1.773 -7.386 3.913 1.00 13.53 H new ATOM 0 HD13 LEU A 38 2.012 -7.609 2.163 1.00 13.53 H new ATOM 0 HD21 LEU A 38 1.597 -4.644 1.434 1.00 32.41 H new ATOM 0 HD22 LEU A 38 0.845 -5.992 0.549 1.00 32.41 H new ATOM 0 HD23 LEU A 38 -0.170 -4.698 1.229 1.00 32.41 H new ATOM 802 N THR A 39 -3.037 -6.874 4.822 1.00 4.12 N ATOM 803 CA THR A 39 -4.481 -6.781 5.022 1.00 34.14 C ATOM 804 C THR A 39 -4.908 -5.349 4.769 1.00 60.12 C ATOM 805 O THR A 39 -4.281 -4.410 5.260 1.00 0.32 O ATOM 806 CB THR A 39 -4.875 -7.239 6.431 1.00 24.24 C ATOM 807 OG1 THR A 39 -4.270 -8.486 6.744 1.00 60.24 O ATOM 808 CG2 THR A 39 -6.370 -7.398 6.610 1.00 13.24 C ATOM 0 H THR A 39 -2.507 -6.150 5.307 1.00 4.12 H new ATOM 0 HA THR A 39 -4.992 -7.443 4.323 1.00 34.14 H new ATOM 0 HB THR A 39 -4.525 -6.452 7.099 1.00 24.24 H new ATOM 0 HG1 THR A 39 -4.533 -8.759 7.648 1.00 60.24 H new ATOM 0 HG21 THR A 39 -6.582 -7.724 7.628 1.00 13.24 H new ATOM 0 HG22 THR A 39 -6.862 -6.443 6.425 1.00 13.24 H new ATOM 0 HG23 THR A 39 -6.744 -8.141 5.906 1.00 13.24 H new ATOM 816 N ILE A 40 -5.937 -5.189 3.953 1.00 63.45 N ATOM 817 CA ILE A 40 -6.409 -3.869 3.574 1.00 32.40 C ATOM 818 C ILE A 40 -7.804 -3.564 4.123 1.00 3.04 C ATOM 819 O ILE A 40 -8.757 -4.305 3.879 1.00 63.13 O ATOM 820 CB ILE A 40 -6.434 -3.733 2.035 1.00 13.50 C ATOM 821 CG1 ILE A 40 -5.372 -4.624 1.373 1.00 43.23 C ATOM 822 CG2 ILE A 40 -6.238 -2.284 1.619 1.00 45.13 C ATOM 823 CD1 ILE A 40 -3.964 -4.076 1.470 1.00 40.54 C ATOM 0 H ILE A 40 -6.462 -5.960 3.540 1.00 63.45 H new ATOM 0 HA ILE A 40 -5.713 -3.151 4.008 1.00 32.40 H new ATOM 0 HB ILE A 40 -7.414 -4.067 1.694 1.00 13.50 H new ATOM 0 HG12 ILE A 40 -5.400 -5.611 1.836 1.00 43.23 H new ATOM 0 HG13 ILE A 40 -5.628 -4.757 0.322 1.00 43.23 H new ATOM 0 HG21 ILE A 40 -6.259 -2.212 0.532 1.00 45.13 H new ATOM 0 HG22 ILE A 40 -7.038 -1.674 2.039 1.00 45.13 H new ATOM 0 HG23 ILE A 40 -5.277 -1.926 1.988 1.00 45.13 H new ATOM 0 HD11 ILE A 40 -3.272 -4.761 0.980 1.00 40.54 H new ATOM 0 HD12 ILE A 40 -3.918 -3.103 0.982 1.00 40.54 H new ATOM 0 HD13 ILE A 40 -3.687 -3.969 2.519 1.00 40.54 H new ATOM 835 N THR A 41 -7.907 -2.447 4.847 1.00 54.24 N ATOM 836 CA THR A 41 -9.173 -1.991 5.422 1.00 51.53 C ATOM 837 C THR A 41 -9.182 -0.461 5.490 1.00 13.25 C ATOM 838 O THR A 41 -8.234 0.144 5.995 1.00 34.23 O ATOM 839 CB THR A 41 -9.394 -2.584 6.819 1.00 54.44 C ATOM 840 OG1 THR A 41 -8.160 -2.799 7.488 1.00 3.41 O ATOM 841 CG2 THR A 41 -10.150 -3.897 6.798 1.00 35.25 C ATOM 0 H THR A 41 -7.117 -1.835 5.050 1.00 54.24 H new ATOM 0 HA THR A 41 -9.987 -2.333 4.782 1.00 51.53 H new ATOM 0 HB THR A 41 -9.995 -1.846 7.350 1.00 54.44 H new ATOM 0 HG1 THR A 41 -7.540 -2.072 7.272 1.00 3.41 H new ATOM 0 HG21 THR A 41 -10.273 -4.263 7.818 1.00 35.25 H new ATOM 0 HG22 THR A 41 -11.130 -3.745 6.347 1.00 35.25 H new ATOM 0 HG23 THR A 41 -9.591 -4.629 6.215 1.00 35.25 H new ATOM 849 N GLN A 42 -10.234 0.163 4.952 1.00 12.40 N ATOM 850 CA GLN A 42 -10.326 1.627 4.928 1.00 11.23 C ATOM 851 C GLN A 42 -11.721 2.132 5.285 1.00 64.22 C ATOM 852 O GLN A 42 -12.730 1.497 4.972 1.00 53.05 O ATOM 853 CB GLN A 42 -9.951 2.125 3.532 1.00 71.12 C ATOM 854 CG GLN A 42 -9.865 3.642 3.376 1.00 31.40 C ATOM 855 CD GLN A 42 -10.760 4.140 2.258 1.00 54.33 C ATOM 856 OE1 GLN A 42 -11.985 4.060 2.348 1.00 22.20 O ATOM 857 NE2 GLN A 42 -10.152 4.647 1.190 1.00 60.41 N ATOM 0 H GLN A 42 -11.029 -0.318 4.530 1.00 12.40 H new ATOM 0 HA GLN A 42 -9.638 2.014 5.680 1.00 11.23 H new ATOM 0 HB2 GLN A 42 -8.988 1.694 3.258 1.00 71.12 H new ATOM 0 HB3 GLN A 42 -10.684 1.745 2.821 1.00 71.12 H new ATOM 0 HG2 GLN A 42 -10.151 4.121 4.312 1.00 31.40 H new ATOM 0 HG3 GLN A 42 -8.833 3.929 3.172 1.00 31.40 H new ATOM 0 HE21 GLN A 42 -9.134 4.694 1.157 1.00 60.41 H new ATOM 0 HE22 GLN A 42 -10.704 4.989 0.403 1.00 60.41 H new ATOM 866 N GLU A 43 -11.754 3.305 5.914 1.00 44.32 N ATOM 867 CA GLU A 43 -13.002 3.955 6.299 1.00 55.23 C ATOM 868 C GLU A 43 -12.917 5.443 5.968 1.00 62.13 C ATOM 869 O GLU A 43 -12.634 6.272 6.837 1.00 44.33 O ATOM 870 CB GLU A 43 -13.284 3.764 7.788 1.00 52.44 C ATOM 871 CG GLU A 43 -13.168 2.324 8.263 1.00 11.51 C ATOM 872 CD GLU A 43 -12.835 2.223 9.738 1.00 4.24 C ATOM 873 OE1 GLU A 43 -11.634 2.274 10.080 1.00 12.14 O ATOM 874 OE2 GLU A 43 -13.774 2.099 10.552 1.00 11.50 O ATOM 0 H GLU A 43 -10.918 3.830 6.170 1.00 44.32 H new ATOM 0 HA GLU A 43 -13.821 3.500 5.742 1.00 55.23 H new ATOM 0 HB2 GLU A 43 -12.591 4.381 8.360 1.00 52.44 H new ATOM 0 HB3 GLU A 43 -14.288 4.127 8.006 1.00 52.44 H new ATOM 0 HG2 GLU A 43 -14.107 1.805 8.070 1.00 11.51 H new ATOM 0 HG3 GLU A 43 -12.397 1.815 7.684 1.00 11.51 H new ATOM 881 N GLY A 44 -13.143 5.767 4.698 1.00 54.53 N ATOM 882 CA GLY A 44 -13.072 7.148 4.248 1.00 74.33 C ATOM 883 C GLY A 44 -11.807 7.458 3.498 1.00 73.43 C ATOM 884 O GLY A 44 -11.500 6.834 2.485 1.00 0.12 O ATOM 0 H GLY A 44 -13.375 5.094 3.968 1.00 54.53 H new ATOM 0 HA2 GLY A 44 -13.928 7.360 3.608 1.00 74.33 H new ATOM 0 HA3 GLY A 44 -13.147 7.810 5.111 1.00 74.33 H new ATOM 888 N ASN A 45 -11.077 8.423 4.006 1.00 43.43 N ATOM 889 CA ASN A 45 -9.822 8.839 3.413 1.00 4.35 C ATOM 890 C ASN A 45 -8.677 8.452 4.345 1.00 15.04 C ATOM 891 O ASN A 45 -7.571 8.988 4.264 1.00 13.00 O ATOM 892 CB ASN A 45 -9.870 10.346 3.138 1.00 51.14 C ATOM 893 CG ASN A 45 -9.255 11.189 4.243 1.00 52.31 C ATOM 894 OD1 ASN A 45 -9.835 11.336 5.319 1.00 72.44 O ATOM 895 ND2 ASN A 45 -8.077 11.747 3.983 1.00 42.33 N ATOM 0 H ASN A 45 -11.335 8.945 4.844 1.00 43.43 H new ATOM 0 HA ASN A 45 -9.655 8.337 2.460 1.00 4.35 H new ATOM 0 HB2 ASN A 45 -9.349 10.552 2.203 1.00 51.14 H new ATOM 0 HB3 ASN A 45 -10.908 10.648 2.998 1.00 51.14 H new ATOM 0 HD21 ASN A 45 -7.619 12.323 4.689 1.00 42.33 H new ATOM 0 HD22 ASN A 45 -7.631 11.599 3.078 1.00 42.33 H new ATOM 902 N LYS A 46 -8.971 7.488 5.223 1.00 21.13 N ATOM 903 CA LYS A 46 -8.004 6.979 6.184 1.00 43.55 C ATOM 904 C LYS A 46 -7.914 5.466 6.048 1.00 42.34 C ATOM 905 O LYS A 46 -8.837 4.738 6.425 1.00 1.03 O ATOM 906 CB LYS A 46 -8.411 7.388 7.607 1.00 0.23 C ATOM 907 CG LYS A 46 -7.820 6.519 8.712 1.00 40.04 C ATOM 908 CD LYS A 46 -8.812 6.308 9.849 1.00 20.10 C ATOM 909 CE LYS A 46 -9.128 4.833 10.057 1.00 4.01 C ATOM 910 NZ LYS A 46 -9.955 4.271 8.951 1.00 33.42 N ATOM 0 H LYS A 46 -9.887 7.043 5.283 1.00 21.13 H new ATOM 0 HA LYS A 46 -7.021 7.406 5.984 1.00 43.55 H new ATOM 0 HB2 LYS A 46 -8.108 8.421 7.774 1.00 0.23 H new ATOM 0 HB3 LYS A 46 -9.498 7.359 7.682 1.00 0.23 H new ATOM 0 HG2 LYS A 46 -7.527 5.553 8.299 1.00 40.04 H new ATOM 0 HG3 LYS A 46 -6.915 6.987 9.100 1.00 40.04 H new ATOM 0 HD2 LYS A 46 -8.404 6.726 10.769 1.00 20.10 H new ATOM 0 HD3 LYS A 46 -9.733 6.850 9.633 1.00 20.10 H new ATOM 0 HE2 LYS A 46 -8.197 4.271 10.133 1.00 4.01 H new ATOM 0 HE3 LYS A 46 -9.655 4.706 11.003 1.00 4.01 H new ATOM 0 HZ1 LYS A 46 -10.464 3.430 9.291 1.00 33.42 H new ATOM 0 HZ2 LYS A 46 -10.641 4.985 8.633 1.00 33.42 H new ATOM 0 HZ3 LYS A 46 -9.338 4.005 8.157 1.00 33.42 H new ATOM 924 N PHE A 47 -6.810 5.003 5.480 1.00 54.12 N ATOM 925 CA PHE A 47 -6.602 3.580 5.258 1.00 23.11 C ATOM 926 C PHE A 47 -5.680 2.978 6.301 1.00 33.44 C ATOM 927 O PHE A 47 -4.703 3.602 6.718 1.00 43.04 O ATOM 928 CB PHE A 47 -6.011 3.359 3.872 1.00 1.40 C ATOM 929 CG PHE A 47 -6.700 2.298 3.072 1.00 51.31 C ATOM 930 CD1 PHE A 47 -6.790 1.003 3.548 1.00 71.12 C ATOM 931 CD2 PHE A 47 -7.265 2.603 1.843 1.00 62.42 C ATOM 932 CE1 PHE A 47 -7.435 0.029 2.812 1.00 25.43 C ATOM 933 CE2 PHE A 47 -7.908 1.632 1.101 1.00 40.13 C ATOM 934 CZ PHE A 47 -7.994 0.343 1.586 1.00 72.21 C ATOM 0 H PHE A 47 -6.042 5.595 5.164 1.00 54.12 H new ATOM 0 HA PHE A 47 -7.570 3.085 5.337 1.00 23.11 H new ATOM 0 HB2 PHE A 47 -6.050 4.298 3.319 1.00 1.40 H new ATOM 0 HB3 PHE A 47 -4.959 3.094 3.976 1.00 1.40 H new ATOM 0 HD1 PHE A 47 -6.352 0.751 4.503 1.00 71.12 H new ATOM 0 HD2 PHE A 47 -7.201 3.611 1.462 1.00 62.42 H new ATOM 0 HE1 PHE A 47 -7.503 -0.979 3.194 1.00 25.43 H new ATOM 0 HE2 PHE A 47 -8.342 1.881 0.144 1.00 40.13 H new ATOM 0 HZ PHE A 47 -8.497 -0.419 1.010 1.00 72.21 H new ATOM 944 N THR A 48 -5.983 1.748 6.690 1.00 41.33 N ATOM 945 CA THR A 48 -5.171 1.030 7.661 1.00 22.53 C ATOM 946 C THR A 48 -4.871 -0.373 7.157 1.00 32.44 C ATOM 947 O THR A 48 -5.784 -1.158 6.889 1.00 34.13 O ATOM 948 CB THR A 48 -5.851 0.965 9.033 1.00 32.31 C ATOM 949 OG1 THR A 48 -6.342 2.240 9.414 1.00 52.13 O ATOM 950 CG2 THR A 48 -4.927 0.479 10.136 1.00 42.12 C ATOM 0 H THR A 48 -6.788 1.225 6.346 1.00 41.33 H new ATOM 0 HA THR A 48 -4.236 1.578 7.781 1.00 22.53 H new ATOM 0 HB THR A 48 -6.665 0.249 8.918 1.00 32.31 H new ATOM 0 HG1 THR A 48 -6.774 2.176 10.291 1.00 52.13 H new ATOM 0 HG21 THR A 48 -5.469 0.456 11.081 1.00 42.12 H new ATOM 0 HG22 THR A 48 -4.571 -0.523 9.897 1.00 42.12 H new ATOM 0 HG23 THR A 48 -4.076 1.155 10.222 1.00 42.12 H new ATOM 958 N VAL A 49 -3.586 -0.675 7.022 1.00 51.55 N ATOM 959 CA VAL A 49 -3.156 -1.976 6.540 1.00 11.04 C ATOM 960 C VAL A 49 -2.250 -2.667 7.556 1.00 32.14 C ATOM 961 O VAL A 49 -1.441 -2.019 8.224 1.00 64.22 O ATOM 962 CB VAL A 49 -2.432 -1.854 5.185 1.00 63.23 C ATOM 963 CG1 VAL A 49 -3.416 -1.455 4.092 1.00 24.14 C ATOM 964 CG2 VAL A 49 -1.289 -0.853 5.266 1.00 12.03 C ATOM 0 H VAL A 49 -2.824 -0.033 7.241 1.00 51.55 H new ATOM 0 HA VAL A 49 -4.050 -2.584 6.402 1.00 11.04 H new ATOM 0 HB VAL A 49 -2.010 -2.828 4.936 1.00 63.23 H new ATOM 0 HG11 VAL A 49 -2.890 -1.373 3.141 1.00 24.14 H new ATOM 0 HG12 VAL A 49 -4.196 -2.212 4.011 1.00 24.14 H new ATOM 0 HG13 VAL A 49 -3.867 -0.494 4.341 1.00 24.14 H new ATOM 0 HG21 VAL A 49 -0.795 -0.786 4.297 1.00 12.03 H new ATOM 0 HG22 VAL A 49 -1.681 0.126 5.542 1.00 12.03 H new ATOM 0 HG23 VAL A 49 -0.571 -1.181 6.018 1.00 12.03 H new ATOM 974 N LYS A 50 -2.402 -3.984 7.675 1.00 51.25 N ATOM 975 CA LYS A 50 -1.611 -4.771 8.616 1.00 34.22 C ATOM 976 C LYS A 50 -0.584 -5.631 7.884 1.00 73.11 C ATOM 977 O LYS A 50 -0.943 -6.457 7.042 1.00 25.42 O ATOM 978 CB LYS A 50 -2.531 -5.657 9.459 1.00 34.45 C ATOM 979 CG LYS A 50 -2.005 -5.937 10.860 1.00 53.15 C ATOM 980 CD LYS A 50 -0.875 -6.955 10.853 1.00 3.50 C ATOM 981 CE LYS A 50 -1.320 -8.298 10.285 1.00 13.15 C ATOM 982 NZ LYS A 50 -0.654 -8.604 8.987 1.00 34.21 N ATOM 0 H LYS A 50 -3.069 -4.530 7.129 1.00 51.25 H new ATOM 0 HA LYS A 50 -1.075 -4.083 9.270 1.00 34.22 H new ATOM 0 HB2 LYS A 50 -3.508 -5.179 9.537 1.00 34.45 H new ATOM 0 HB3 LYS A 50 -2.680 -6.605 8.942 1.00 34.45 H new ATOM 0 HG2 LYS A 50 -1.652 -5.008 11.307 1.00 53.15 H new ATOM 0 HG3 LYS A 50 -2.819 -6.303 11.486 1.00 53.15 H new ATOM 0 HD2 LYS A 50 -0.043 -6.570 10.263 1.00 3.50 H new ATOM 0 HD3 LYS A 50 -0.507 -7.095 11.869 1.00 3.50 H new ATOM 0 HE2 LYS A 50 -1.096 -9.087 11.002 1.00 13.15 H new ATOM 0 HE3 LYS A 50 -2.401 -8.292 10.145 1.00 13.15 H new ATOM 0 HZ1 LYS A 50 -1.366 -8.631 8.229 1.00 34.21 H new ATOM 0 HZ2 LYS A 50 0.049 -7.867 8.775 1.00 34.21 H new ATOM 0 HZ3 LYS A 50 -0.179 -9.527 9.049 1.00 34.21 H new ATOM 996 N GLU A 51 0.693 -5.433 8.214 1.00 41.41 N ATOM 997 CA GLU A 51 1.778 -6.189 7.594 1.00 2.42 C ATOM 998 C GLU A 51 2.562 -6.974 8.644 1.00 40.32 C ATOM 999 O GLU A 51 3.108 -6.392 9.584 1.00 43.43 O ATOM 1000 CB GLU A 51 2.716 -5.246 6.836 1.00 24.43 C ATOM 1001 CG GLU A 51 2.185 -4.823 5.475 1.00 2.05 C ATOM 1002 CD GLU A 51 1.243 -3.638 5.555 1.00 1.34 C ATOM 1003 OE1 GLU A 51 1.731 -2.500 5.701 1.00 61.22 O ATOM 1004 OE2 GLU A 51 0.016 -3.850 5.478 1.00 43.54 O ATOM 0 H GLU A 51 1.000 -4.753 8.909 1.00 41.41 H new ATOM 0 HA GLU A 51 1.341 -6.897 6.890 1.00 2.42 H new ATOM 0 HB2 GLU A 51 2.890 -4.356 7.441 1.00 24.43 H new ATOM 0 HB3 GLU A 51 3.681 -5.736 6.704 1.00 24.43 H new ATOM 0 HG2 GLU A 51 3.023 -4.572 4.825 1.00 2.05 H new ATOM 0 HG3 GLU A 51 1.666 -5.664 5.015 1.00 2.05 H new ATOM 1011 N SER A 52 2.607 -8.299 8.477 1.00 34.51 N ATOM 1012 CA SER A 52 3.321 -9.172 9.408 1.00 24.54 C ATOM 1013 C SER A 52 4.540 -9.797 8.736 1.00 41.21 C ATOM 1014 O SER A 52 4.448 -10.301 7.615 1.00 12.32 O ATOM 1015 CB SER A 52 2.397 -10.277 9.947 1.00 0.53 C ATOM 1016 OG SER A 52 1.330 -10.558 9.052 1.00 74.44 O ATOM 0 H SER A 52 2.156 -8.789 7.704 1.00 34.51 H new ATOM 0 HA SER A 52 3.655 -8.560 10.246 1.00 24.54 H new ATOM 0 HB2 SER A 52 2.977 -11.184 10.117 1.00 0.53 H new ATOM 0 HB3 SER A 52 1.991 -9.972 10.912 1.00 0.53 H new ATOM 0 HG SER A 52 0.766 -11.266 9.428 1.00 74.44 H new ATOM 1022 N SER A 53 5.680 -9.760 9.428 1.00 31.11 N ATOM 1023 CA SER A 53 6.922 -10.321 8.905 1.00 14.42 C ATOM 1024 C SER A 53 7.427 -11.456 9.795 1.00 73.11 C ATOM 1025 O SER A 53 6.750 -11.868 10.739 1.00 45.21 O ATOM 1026 CB SER A 53 7.990 -9.227 8.793 1.00 24.21 C ATOM 1027 OG SER A 53 7.496 -8.098 8.091 1.00 41.33 O ATOM 0 H SER A 53 5.766 -9.345 10.356 1.00 31.11 H new ATOM 0 HA SER A 53 6.721 -10.727 7.914 1.00 14.42 H new ATOM 0 HB2 SER A 53 8.312 -8.926 9.790 1.00 24.21 H new ATOM 0 HB3 SER A 53 8.867 -9.622 8.280 1.00 24.21 H new ATOM 0 HG SER A 53 7.434 -8.308 7.136 1.00 41.33 H new ATOM 1033 N ALA A 54 8.620 -11.956 9.481 1.00 53.43 N ATOM 1034 CA ALA A 54 9.227 -13.045 10.240 1.00 52.45 C ATOM 1035 C ALA A 54 9.886 -12.547 11.528 1.00 3.21 C ATOM 1036 O ALA A 54 9.975 -13.289 12.509 1.00 22.41 O ATOM 1037 CB ALA A 54 10.252 -13.765 9.377 1.00 53.02 C ATOM 0 H ALA A 54 9.187 -11.622 8.702 1.00 53.43 H new ATOM 0 HA ALA A 54 8.432 -13.735 10.523 1.00 52.45 H new ATOM 0 HB1 ALA A 54 10.702 -14.577 9.948 1.00 53.02 H new ATOM 0 HB2 ALA A 54 9.762 -14.172 8.493 1.00 53.02 H new ATOM 0 HB3 ALA A 54 11.028 -13.063 9.071 1.00 53.02 H new ATOM 1043 N PHE A 55 10.361 -11.298 11.519 1.00 40.31 N ATOM 1044 CA PHE A 55 11.029 -10.723 12.690 1.00 4.13 C ATOM 1045 C PHE A 55 10.191 -9.644 13.393 1.00 13.44 C ATOM 1046 O PHE A 55 10.647 -9.062 14.381 1.00 34.45 O ATOM 1047 CB PHE A 55 12.402 -10.156 12.303 1.00 55.21 C ATOM 1048 CG PHE A 55 12.379 -9.222 11.125 1.00 23.13 C ATOM 1049 CD1 PHE A 55 12.417 -9.716 9.831 1.00 2.34 C ATOM 1050 CD2 PHE A 55 12.328 -7.852 11.314 1.00 11.33 C ATOM 1051 CE1 PHE A 55 12.403 -8.860 8.747 1.00 64.22 C ATOM 1052 CE2 PHE A 55 12.316 -6.990 10.234 1.00 72.12 C ATOM 1053 CZ PHE A 55 12.353 -7.494 8.949 1.00 72.43 C ATOM 0 H PHE A 55 10.296 -10.669 10.719 1.00 40.31 H new ATOM 0 HA PHE A 55 11.157 -11.538 13.402 1.00 4.13 H new ATOM 0 HB2 PHE A 55 12.819 -9.629 13.161 1.00 55.21 H new ATOM 0 HB3 PHE A 55 13.074 -10.985 12.081 1.00 55.21 H new ATOM 0 HD1 PHE A 55 12.458 -10.783 9.668 1.00 2.34 H new ATOM 0 HD2 PHE A 55 12.297 -7.452 12.317 1.00 11.33 H new ATOM 0 HE1 PHE A 55 12.431 -9.258 7.743 1.00 64.22 H new ATOM 0 HE2 PHE A 55 12.278 -5.923 10.395 1.00 72.12 H new ATOM 0 HZ PHE A 55 12.343 -6.822 8.104 1.00 72.43 H new ATOM 1063 N ARG A 56 8.975 -9.378 12.898 1.00 34.30 N ATOM 1064 CA ARG A 56 8.104 -8.366 13.508 1.00 13.05 C ATOM 1065 C ARG A 56 6.750 -8.283 12.793 1.00 72.24 C ATOM 1066 O ARG A 56 6.500 -9.004 11.826 1.00 13.31 O ATOM 1067 CB ARG A 56 8.784 -6.990 13.493 1.00 13.22 C ATOM 1068 CG ARG A 56 9.122 -6.486 12.097 1.00 32.30 C ATOM 1069 CD ARG A 56 8.880 -4.989 11.967 1.00 24.50 C ATOM 1070 NE ARG A 56 8.497 -4.613 10.605 1.00 53.23 N ATOM 1071 CZ ARG A 56 8.395 -3.352 10.178 1.00 71.23 C ATOM 1072 NH1 ARG A 56 8.629 -2.339 11.006 1.00 1.03 N ATOM 1073 NH2 ARG A 56 8.050 -3.104 8.920 1.00 24.10 N ATOM 0 H ARG A 56 8.575 -9.845 12.084 1.00 34.30 H new ATOM 0 HA ARG A 56 7.926 -8.668 14.540 1.00 13.05 H new ATOM 0 HB2 ARG A 56 8.131 -6.267 13.982 1.00 13.22 H new ATOM 0 HB3 ARG A 56 9.700 -7.041 14.082 1.00 13.22 H new ATOM 0 HG2 ARG A 56 10.165 -6.707 11.873 1.00 32.30 H new ATOM 0 HG3 ARG A 56 8.518 -7.018 11.362 1.00 32.30 H new ATOM 0 HD2 ARG A 56 8.096 -4.687 12.661 1.00 24.50 H new ATOM 0 HD3 ARG A 56 9.783 -4.449 12.252 1.00 24.50 H new ATOM 0 HE ARG A 56 8.296 -5.361 9.941 1.00 53.23 H new ATOM 0 HH11 ARG A 56 8.889 -2.522 11.975 1.00 1.03 H new ATOM 0 HH12 ARG A 56 8.549 -1.379 10.672 1.00 1.03 H new ATOM 0 HH21 ARG A 56 7.863 -3.876 8.281 1.00 24.10 H new ATOM 0 HH22 ARG A 56 7.972 -2.141 8.593 1.00 24.10 H new ATOM 1087 N ASN A 57 5.883 -7.391 13.282 1.00 31.42 N ATOM 1088 CA ASN A 57 4.554 -7.194 12.703 1.00 54.41 C ATOM 1089 C ASN A 57 3.886 -5.959 13.310 1.00 74.24 C ATOM 1090 O ASN A 57 3.791 -5.841 14.532 1.00 24.15 O ATOM 1091 CB ASN A 57 3.682 -8.436 12.938 1.00 24.20 C ATOM 1092 CG ASN A 57 2.199 -8.160 12.753 1.00 73.23 C ATOM 1093 OD1 ASN A 57 1.757 -7.801 11.664 1.00 51.04 O ATOM 1094 ND2 ASN A 57 1.422 -8.323 13.820 1.00 62.42 N ATOM 0 H ASN A 57 6.081 -6.791 14.083 1.00 31.42 H new ATOM 0 HA ASN A 57 4.663 -7.040 11.630 1.00 54.41 H new ATOM 0 HB2 ASN A 57 3.988 -9.224 12.250 1.00 24.20 H new ATOM 0 HB3 ASN A 57 3.854 -8.809 13.948 1.00 24.20 H new ATOM 0 HD21 ASN A 57 0.419 -8.149 13.752 1.00 62.42 H new ATOM 0 HD22 ASN A 57 1.829 -8.622 14.706 1.00 62.42 H new ATOM 1101 N ILE A 58 3.424 -5.042 12.456 1.00 25.12 N ATOM 1102 CA ILE A 58 2.765 -3.820 12.925 1.00 3.13 C ATOM 1103 C ILE A 58 1.755 -3.292 11.904 1.00 64.23 C ATOM 1104 O ILE A 58 1.920 -3.479 10.696 1.00 22.31 O ATOM 1105 CB ILE A 58 3.785 -2.696 13.242 1.00 20.51 C ATOM 1106 CG1 ILE A 58 4.663 -2.383 12.024 1.00 52.23 C ATOM 1107 CG2 ILE A 58 4.648 -3.073 14.437 1.00 75.41 C ATOM 1108 CD1 ILE A 58 5.366 -1.042 12.114 1.00 21.30 C ATOM 0 H ILE A 58 3.493 -5.121 11.441 1.00 25.12 H new ATOM 0 HA ILE A 58 2.242 -4.096 13.840 1.00 3.13 H new ATOM 0 HB ILE A 58 3.221 -1.797 13.491 1.00 20.51 H new ATOM 0 HG12 ILE A 58 5.410 -3.169 11.913 1.00 52.23 H new ATOM 0 HG13 ILE A 58 4.045 -2.401 11.126 1.00 52.23 H new ATOM 0 HG21 ILE A 58 5.356 -2.270 14.642 1.00 75.41 H new ATOM 0 HG22 ILE A 58 4.013 -3.228 15.310 1.00 75.41 H new ATOM 0 HG23 ILE A 58 5.193 -3.991 14.217 1.00 75.41 H new ATOM 0 HD11 ILE A 58 5.969 -0.887 11.219 1.00 21.30 H new ATOM 0 HD12 ILE A 58 4.624 -0.247 12.194 1.00 21.30 H new ATOM 0 HD13 ILE A 58 6.010 -1.027 12.993 1.00 21.30 H new ATOM 1120 N GLU A 59 0.717 -2.618 12.405 1.00 54.42 N ATOM 1121 CA GLU A 59 -0.319 -2.035 11.552 1.00 12.40 C ATOM 1122 C GLU A 59 -0.139 -0.521 11.473 1.00 51.03 C ATOM 1123 O GLU A 59 0.187 0.125 12.473 1.00 71.13 O ATOM 1124 CB GLU A 59 -1.721 -2.394 12.070 1.00 32.22 C ATOM 1125 CG GLU A 59 -2.155 -1.620 13.308 1.00 25.31 C ATOM 1126 CD GLU A 59 -1.495 -2.116 14.582 1.00 15.25 C ATOM 1127 OE1 GLU A 59 -1.395 -3.348 14.763 1.00 51.24 O ATOM 1128 OE2 GLU A 59 -1.075 -1.271 15.398 1.00 33.42 O ATOM 0 H GLU A 59 0.572 -2.463 13.403 1.00 54.42 H new ATOM 0 HA GLU A 59 -0.220 -2.450 10.549 1.00 12.40 H new ATOM 0 HB2 GLU A 59 -2.445 -2.217 11.274 1.00 32.22 H new ATOM 0 HB3 GLU A 59 -1.749 -3.460 12.295 1.00 32.22 H new ATOM 0 HG2 GLU A 59 -1.919 -0.565 13.171 1.00 25.31 H new ATOM 0 HG3 GLU A 59 -3.237 -1.693 13.414 1.00 25.31 H new ATOM 1135 N VAL A 60 -0.334 0.039 10.282 1.00 43.31 N ATOM 1136 CA VAL A 60 -0.174 1.477 10.079 1.00 60.32 C ATOM 1137 C VAL A 60 -1.403 2.084 9.408 1.00 25.40 C ATOM 1138 O VAL A 60 -1.998 1.475 8.516 1.00 41.11 O ATOM 1139 CB VAL A 60 1.077 1.787 9.226 1.00 33.43 C ATOM 1140 CG1 VAL A 60 1.253 3.289 9.044 1.00 11.33 C ATOM 1141 CG2 VAL A 60 2.322 1.175 9.856 1.00 22.33 C ATOM 0 H VAL A 60 -0.602 -0.479 9.445 1.00 43.31 H new ATOM 0 HA VAL A 60 -0.052 1.924 11.066 1.00 60.32 H new ATOM 0 HB VAL A 60 0.934 1.341 8.242 1.00 33.43 H new ATOM 0 HG11 VAL A 60 2.140 3.481 8.440 1.00 11.33 H new ATOM 0 HG12 VAL A 60 0.377 3.700 8.542 1.00 11.33 H new ATOM 0 HG13 VAL A 60 1.368 3.763 10.019 1.00 11.33 H new ATOM 0 HG21 VAL A 60 3.192 1.405 9.240 1.00 22.33 H new ATOM 0 HG22 VAL A 60 2.465 1.588 10.855 1.00 22.33 H new ATOM 0 HG23 VAL A 60 2.201 0.094 9.924 1.00 22.33 H new ATOM 1151 N VAL A 61 -1.771 3.291 9.841 1.00 51.31 N ATOM 1152 CA VAL A 61 -2.923 3.988 9.281 1.00 14.14 C ATOM 1153 C VAL A 61 -2.517 5.339 8.692 1.00 23.40 C ATOM 1154 O VAL A 61 -2.013 6.212 9.400 1.00 4.12 O ATOM 1155 CB VAL A 61 -4.040 4.201 10.330 1.00 72.31 C ATOM 1156 CG1 VAL A 61 -3.479 4.789 11.619 1.00 62.11 C ATOM 1157 CG2 VAL A 61 -5.143 5.089 9.766 1.00 63.33 C ATOM 0 H VAL A 61 -1.286 3.804 10.578 1.00 51.31 H new ATOM 0 HA VAL A 61 -3.314 3.351 8.488 1.00 14.14 H new ATOM 0 HB VAL A 61 -4.469 3.228 10.567 1.00 72.31 H new ATOM 0 HG11 VAL A 61 -4.287 4.928 12.337 1.00 62.11 H new ATOM 0 HG12 VAL A 61 -2.736 4.109 12.036 1.00 62.11 H new ATOM 0 HG13 VAL A 61 -3.013 5.751 11.407 1.00 62.11 H new ATOM 0 HG21 VAL A 61 -5.919 5.227 10.519 1.00 63.33 H new ATOM 0 HG22 VAL A 61 -4.726 6.058 9.493 1.00 63.33 H new ATOM 0 HG23 VAL A 61 -5.574 4.618 8.883 1.00 63.33 H new ATOM 1167 N PHE A 62 -2.751 5.500 7.392 1.00 52.13 N ATOM 1168 CA PHE A 62 -2.426 6.737 6.693 1.00 12.54 C ATOM 1169 C PHE A 62 -3.704 7.482 6.300 1.00 3.10 C ATOM 1170 O PHE A 62 -4.813 6.972 6.481 1.00 42.14 O ATOM 1171 CB PHE A 62 -1.587 6.431 5.439 1.00 24.43 C ATOM 1172 CG PHE A 62 -2.380 6.475 4.159 1.00 24.13 C ATOM 1173 CD1 PHE A 62 -3.323 5.498 3.879 1.00 73.34 C ATOM 1174 CD2 PHE A 62 -2.200 7.506 3.253 1.00 32.33 C ATOM 1175 CE1 PHE A 62 -4.070 5.551 2.717 1.00 40.54 C ATOM 1176 CE2 PHE A 62 -2.942 7.559 2.090 1.00 5.22 C ATOM 1177 CZ PHE A 62 -3.878 6.581 1.823 1.00 2.24 C ATOM 0 H PHE A 62 -3.168 4.782 6.799 1.00 52.13 H new ATOM 0 HA PHE A 62 -1.845 7.372 7.363 1.00 12.54 H new ATOM 0 HB2 PHE A 62 -0.769 7.149 5.375 1.00 24.43 H new ATOM 0 HB3 PHE A 62 -1.137 5.444 5.545 1.00 24.43 H new ATOM 0 HD1 PHE A 62 -3.476 4.687 4.576 1.00 73.34 H new ATOM 0 HD2 PHE A 62 -1.472 8.277 3.458 1.00 32.33 H new ATOM 0 HE1 PHE A 62 -4.803 4.786 2.510 1.00 40.54 H new ATOM 0 HE2 PHE A 62 -2.790 8.366 1.389 1.00 5.22 H new ATOM 0 HZ PHE A 62 -4.460 6.623 0.914 1.00 2.24 H new ATOM 1187 N GLU A 63 -3.536 8.676 5.736 1.00 63.42 N ATOM 1188 CA GLU A 63 -4.660 9.486 5.281 1.00 3.42 C ATOM 1189 C GLU A 63 -4.302 10.174 3.967 1.00 41.15 C ATOM 1190 O GLU A 63 -3.222 10.756 3.842 1.00 14.31 O ATOM 1191 CB GLU A 63 -5.045 10.519 6.338 1.00 15.30 C ATOM 1192 CG GLU A 63 -6.248 10.109 7.171 1.00 5.21 C ATOM 1193 CD GLU A 63 -6.711 11.208 8.103 1.00 21.41 C ATOM 1194 OE1 GLU A 63 -7.182 12.249 7.601 1.00 73.55 O ATOM 1195 OE2 GLU A 63 -6.602 11.032 9.333 1.00 23.24 O ATOM 0 H GLU A 63 -2.624 9.105 5.583 1.00 63.42 H new ATOM 0 HA GLU A 63 -5.518 8.834 5.118 1.00 3.42 H new ATOM 0 HB2 GLU A 63 -4.195 10.686 6.999 1.00 15.30 H new ATOM 0 HB3 GLU A 63 -5.259 11.468 5.847 1.00 15.30 H new ATOM 0 HG2 GLU A 63 -7.067 9.831 6.508 1.00 5.21 H new ATOM 0 HG3 GLU A 63 -5.996 9.224 7.755 1.00 5.21 H new ATOM 1202 N LEU A 64 -5.198 10.089 2.982 1.00 41.24 N ATOM 1203 CA LEU A 64 -4.949 10.694 1.674 1.00 25.31 C ATOM 1204 C LEU A 64 -4.712 12.198 1.788 1.00 64.21 C ATOM 1205 O LEU A 64 -5.642 12.970 2.031 1.00 75.33 O ATOM 1206 CB LEU A 64 -6.115 10.436 0.711 1.00 72.43 C ATOM 1207 CG LEU A 64 -6.265 8.995 0.217 1.00 43.35 C ATOM 1208 CD1 LEU A 64 -7.487 8.865 -0.679 1.00 25.50 C ATOM 1209 CD2 LEU A 64 -5.012 8.554 -0.526 1.00 34.21 C ATOM 0 H LEU A 64 -6.095 9.611 3.064 1.00 41.24 H new ATOM 0 HA LEU A 64 -4.048 10.225 1.277 1.00 25.31 H new ATOM 0 HB2 LEU A 64 -7.041 10.729 1.205 1.00 72.43 H new ATOM 0 HB3 LEU A 64 -5.997 11.087 -0.155 1.00 72.43 H new ATOM 0 HG LEU A 64 -6.400 8.346 1.082 1.00 43.35 H new ATOM 0 HD11 LEU A 64 -7.579 7.834 -1.022 1.00 25.50 H new ATOM 0 HD12 LEU A 64 -8.380 9.142 -0.119 1.00 25.50 H new ATOM 0 HD13 LEU A 64 -7.379 9.525 -1.540 1.00 25.50 H new ATOM 0 HD21 LEU A 64 -5.136 7.527 -0.870 1.00 34.21 H new ATOM 0 HD22 LEU A 64 -4.849 9.207 -1.383 1.00 34.21 H new ATOM 0 HD23 LEU A 64 -4.153 8.611 0.143 1.00 34.21 H new ATOM 1221 N GLY A 65 -3.460 12.598 1.587 1.00 13.13 N ATOM 1222 CA GLY A 65 -3.100 14.010 1.638 1.00 61.23 C ATOM 1223 C GLY A 65 -2.702 14.509 3.020 1.00 33.40 C ATOM 1224 O GLY A 65 -2.739 15.715 3.271 1.00 31.14 O ATOM 0 H GLY A 65 -2.682 11.968 1.389 1.00 13.13 H new ATOM 0 HA2 GLY A 65 -2.274 14.187 0.950 1.00 61.23 H new ATOM 0 HA3 GLY A 65 -3.944 14.601 1.281 1.00 61.23 H new ATOM 1228 N VAL A 66 -2.312 13.599 3.913 1.00 54.12 N ATOM 1229 CA VAL A 66 -1.900 13.980 5.263 1.00 53.02 C ATOM 1230 C VAL A 66 -0.479 13.492 5.545 1.00 43.05 C ATOM 1231 O VAL A 66 -0.272 12.327 5.889 1.00 34.55 O ATOM 1232 CB VAL A 66 -2.863 13.418 6.332 1.00 4.02 C ATOM 1233 CG1 VAL A 66 -2.587 14.049 7.690 1.00 63.24 C ATOM 1234 CG2 VAL A 66 -4.313 13.643 5.921 1.00 60.25 C ATOM 0 H VAL A 66 -2.273 12.597 3.726 1.00 54.12 H new ATOM 0 HA VAL A 66 -1.928 15.068 5.317 1.00 53.02 H new ATOM 0 HB VAL A 66 -2.693 12.344 6.413 1.00 4.02 H new ATOM 0 HG11 VAL A 66 -3.276 13.639 8.428 1.00 63.24 H new ATOM 0 HG12 VAL A 66 -1.562 13.832 7.991 1.00 63.24 H new ATOM 0 HG13 VAL A 66 -2.725 15.128 7.625 1.00 63.24 H new ATOM 0 HG21 VAL A 66 -4.975 13.240 6.687 1.00 60.25 H new ATOM 0 HG22 VAL A 66 -4.497 14.711 5.807 1.00 60.25 H new ATOM 0 HG23 VAL A 66 -4.505 13.139 4.974 1.00 60.25 H new ATOM 1244 N THR A 67 0.500 14.384 5.380 1.00 22.33 N ATOM 1245 CA THR A 67 1.902 14.029 5.599 1.00 62.25 C ATOM 1246 C THR A 67 2.213 13.843 7.078 1.00 44.54 C ATOM 1247 O THR A 67 1.923 14.714 7.901 1.00 11.02 O ATOM 1248 CB THR A 67 2.841 15.083 5.000 1.00 75.24 C ATOM 1249 OG1 THR A 67 2.441 15.423 3.682 1.00 3.31 O ATOM 1250 CG2 THR A 67 4.292 14.633 4.941 1.00 44.42 C ATOM 0 H THR A 67 0.348 15.352 5.097 1.00 22.33 H new ATOM 0 HA THR A 67 2.069 13.079 5.092 1.00 62.25 H new ATOM 0 HB THR A 67 2.772 15.942 5.667 1.00 75.24 H new ATOM 0 HG1 THR A 67 3.052 16.098 3.319 1.00 3.31 H new ATOM 0 HG21 THR A 67 4.901 15.426 4.507 1.00 44.42 H new ATOM 0 HG22 THR A 67 4.646 14.413 5.948 1.00 44.42 H new ATOM 0 HG23 THR A 67 4.370 13.737 4.325 1.00 44.42 H new ATOM 1258 N PHE A 68 2.824 12.703 7.402 1.00 31.50 N ATOM 1259 CA PHE A 68 3.199 12.397 8.777 1.00 0.00 C ATOM 1260 C PHE A 68 4.599 11.787 8.826 1.00 75.51 C ATOM 1261 O PHE A 68 5.265 11.659 7.794 1.00 12.33 O ATOM 1262 CB PHE A 68 2.173 11.456 9.427 1.00 52.04 C ATOM 1263 CG PHE A 68 1.939 10.170 8.678 1.00 41.54 C ATOM 1264 CD1 PHE A 68 2.921 9.193 8.618 1.00 20.41 C ATOM 1265 CD2 PHE A 68 0.730 9.937 8.043 1.00 12.23 C ATOM 1266 CE1 PHE A 68 2.702 8.010 7.937 1.00 5.12 C ATOM 1267 CE2 PHE A 68 0.504 8.756 7.363 1.00 43.01 C ATOM 1268 CZ PHE A 68 1.492 7.791 7.309 1.00 44.54 C ATOM 0 H PHE A 68 3.069 11.978 6.728 1.00 31.50 H new ATOM 0 HA PHE A 68 3.209 13.328 9.344 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.507 11.217 10.437 1.00 52.04 H new ATOM 0 HB3 PHE A 68 1.224 11.984 9.522 1.00 52.04 H new ATOM 0 HD1 PHE A 68 3.869 9.358 9.109 1.00 20.41 H new ATOM 0 HD2 PHE A 68 -0.045 10.688 8.080 1.00 12.23 H new ATOM 0 HE1 PHE A 68 3.476 7.258 7.896 1.00 5.12 H new ATOM 0 HE2 PHE A 68 -0.444 8.587 6.874 1.00 43.01 H new ATOM 0 HZ PHE A 68 1.318 6.868 6.777 1.00 44.54 H new ATOM 1278 N ASN A 69 5.044 11.419 10.024 1.00 43.12 N ATOM 1279 CA ASN A 69 6.365 10.832 10.199 1.00 25.13 C ATOM 1280 C ASN A 69 6.279 9.316 10.375 1.00 33.41 C ATOM 1281 O ASN A 69 5.369 8.807 11.033 1.00 42.23 O ATOM 1282 CB ASN A 69 7.067 11.461 11.404 1.00 45.42 C ATOM 1283 CG ASN A 69 8.368 10.763 11.739 1.00 0.14 C ATOM 1284 OD1 ASN A 69 9.377 10.965 11.068 1.00 45.12 O ATOM 1285 ND2 ASN A 69 8.350 9.935 12.778 1.00 22.53 N ATOM 0 H ASN A 69 4.508 11.518 10.886 1.00 43.12 H new ATOM 0 HA ASN A 69 6.945 11.036 9.299 1.00 25.13 H new ATOM 0 HB2 ASN A 69 7.264 12.513 11.199 1.00 45.42 H new ATOM 0 HB3 ASN A 69 6.404 11.424 12.268 1.00 45.42 H new ATOM 0 HD21 ASN A 69 9.198 9.436 13.047 1.00 22.53 H new ATOM 0 HD22 ASN A 69 7.488 9.798 13.306 1.00 22.53 H new ATOM 1292 N TYR A 70 7.242 8.607 9.788 1.00 24.33 N ATOM 1293 CA TYR A 70 7.299 7.152 9.881 1.00 33.55 C ATOM 1294 C TYR A 70 8.703 6.704 10.290 1.00 23.32 C ATOM 1295 O TYR A 70 9.698 7.199 9.757 1.00 71.21 O ATOM 1296 CB TYR A 70 6.909 6.510 8.542 1.00 55.41 C ATOM 1297 CG TYR A 70 7.219 5.029 8.469 1.00 73.43 C ATOM 1298 CD1 TYR A 70 6.324 4.084 8.955 1.00 51.04 C ATOM 1299 CD2 TYR A 70 8.415 4.578 7.923 1.00 40.22 C ATOM 1300 CE1 TYR A 70 6.611 2.733 8.897 1.00 13.53 C ATOM 1301 CE2 TYR A 70 8.710 3.230 7.864 1.00 25.40 C ATOM 1302 CZ TYR A 70 7.806 2.311 8.352 1.00 2.22 C ATOM 1303 OH TYR A 70 8.101 0.967 8.298 1.00 53.12 O ATOM 0 H TYR A 70 7.996 9.021 9.240 1.00 24.33 H new ATOM 0 HA TYR A 70 6.589 6.827 10.641 1.00 33.55 H new ATOM 0 HB2 TYR A 70 5.842 6.659 8.374 1.00 55.41 H new ATOM 0 HB3 TYR A 70 7.433 7.023 7.736 1.00 55.41 H new ATOM 0 HD1 TYR A 70 5.389 4.410 9.385 1.00 51.04 H new ATOM 0 HD2 TYR A 70 9.126 5.294 7.538 1.00 40.22 H new ATOM 0 HE1 TYR A 70 5.903 2.011 9.277 1.00 13.53 H new ATOM 0 HE2 TYR A 70 9.645 2.897 7.437 1.00 25.40 H new ATOM 0 HH TYR A 70 7.271 0.453 8.217 1.00 53.12 H new ATOM 1313 N ASN A 71 8.774 5.764 11.233 1.00 0.22 N ATOM 1314 CA ASN A 71 10.056 5.249 11.708 1.00 4.24 C ATOM 1315 C ASN A 71 10.324 3.861 11.137 1.00 61.42 C ATOM 1316 O ASN A 71 9.392 3.111 10.845 1.00 34.32 O ATOM 1317 CB ASN A 71 10.080 5.208 13.238 1.00 22.50 C ATOM 1318 CG ASN A 71 10.337 6.575 13.847 1.00 0.31 C ATOM 1319 OD1 ASN A 71 9.454 7.431 13.870 1.00 1.51 O ATOM 1320 ND2 ASN A 71 11.551 6.791 14.340 1.00 31.50 N ATOM 0 H ASN A 71 7.959 5.345 11.682 1.00 0.22 H new ATOM 0 HA ASN A 71 10.843 5.920 11.364 1.00 4.24 H new ATOM 0 HB2 ASN A 71 9.128 4.823 13.604 1.00 22.50 H new ATOM 0 HB3 ASN A 71 10.853 4.514 13.569 1.00 22.50 H new ATOM 0 HD21 ASN A 71 11.779 7.693 14.757 1.00 31.50 H new ATOM 0 HD22 ASN A 71 12.256 6.054 14.302 1.00 31.50 H new ATOM 1327 N LEU A 72 11.603 3.532 10.971 1.00 4.10 N ATOM 1328 CA LEU A 72 12.002 2.236 10.420 1.00 63.14 C ATOM 1329 C LEU A 72 12.404 1.253 11.527 1.00 51.42 C ATOM 1330 O LEU A 72 12.154 1.499 12.708 1.00 45.31 O ATOM 1331 CB LEU A 72 13.156 2.426 9.430 1.00 43.25 C ATOM 1332 CG LEU A 72 12.930 3.506 8.367 1.00 71.12 C ATOM 1333 CD1 LEU A 72 14.245 4.174 7.993 1.00 33.34 C ATOM 1334 CD2 LEU A 72 12.262 2.911 7.135 1.00 72.12 C ATOM 0 H LEU A 72 12.383 4.145 11.210 1.00 4.10 H new ATOM 0 HA LEU A 72 11.145 1.810 9.898 1.00 63.14 H new ATOM 0 HB2 LEU A 72 14.058 2.673 9.990 1.00 43.25 H new ATOM 0 HB3 LEU A 72 13.343 1.477 8.927 1.00 43.25 H new ATOM 0 HG LEU A 72 12.268 4.265 8.784 1.00 71.12 H new ATOM 0 HD11 LEU A 72 14.063 4.938 7.237 1.00 33.34 H new ATOM 0 HD12 LEU A 72 14.683 4.636 8.878 1.00 33.34 H new ATOM 0 HD13 LEU A 72 14.933 3.427 7.596 1.00 33.34 H new ATOM 0 HD21 LEU A 72 12.109 3.693 6.391 1.00 72.12 H new ATOM 0 HD22 LEU A 72 12.898 2.131 6.717 1.00 72.12 H new ATOM 0 HD23 LEU A 72 11.299 2.483 7.414 1.00 72.12 H new ATOM 1346 N ALA A 73 13.020 0.133 11.129 1.00 21.44 N ATOM 1347 CA ALA A 73 13.453 -0.899 12.076 1.00 34.41 C ATOM 1348 C ALA A 73 14.746 -0.514 12.811 1.00 52.04 C ATOM 1349 O ALA A 73 15.116 -1.161 13.792 1.00 12.52 O ATOM 1350 CB ALA A 73 13.639 -2.229 11.352 1.00 51.52 C ATOM 0 H ALA A 73 13.230 -0.081 10.154 1.00 21.44 H new ATOM 0 HA ALA A 73 12.670 -0.996 12.828 1.00 34.41 H new ATOM 0 HB1 ALA A 73 13.961 -2.989 12.064 1.00 51.52 H new ATOM 0 HB2 ALA A 73 12.695 -2.532 10.900 1.00 51.52 H new ATOM 0 HB3 ALA A 73 14.395 -2.117 10.574 1.00 51.52 H new ATOM 1356 N ASP A 74 15.438 0.527 12.331 1.00 74.13 N ATOM 1357 CA ASP A 74 16.691 0.971 12.949 1.00 25.12 C ATOM 1358 C ASP A 74 16.518 2.269 13.749 1.00 64.22 C ATOM 1359 O ASP A 74 17.399 2.636 14.531 1.00 4.40 O ATOM 1360 CB ASP A 74 17.767 1.168 11.877 1.00 60.12 C ATOM 1361 CG ASP A 74 18.186 -0.134 11.223 1.00 61.21 C ATOM 1362 OD1 ASP A 74 19.070 -0.819 11.777 1.00 1.00 O ATOM 1363 OD2 ASP A 74 17.634 -0.465 10.155 1.00 5.34 O ATOM 0 H ASP A 74 15.152 1.075 11.520 1.00 74.13 H new ATOM 0 HA ASP A 74 16.999 0.191 13.646 1.00 25.12 H new ATOM 0 HB2 ASP A 74 17.393 1.850 11.113 1.00 60.12 H new ATOM 0 HB3 ASP A 74 18.640 1.641 12.327 1.00 60.12 H new ATOM 1368 N GLY A 75 15.391 2.964 13.556 1.00 41.01 N ATOM 1369 CA GLY A 75 15.151 4.206 14.277 1.00 0.13 C ATOM 1370 C GLY A 75 14.999 5.416 13.364 1.00 72.32 C ATOM 1371 O GLY A 75 14.318 6.377 13.725 1.00 65.34 O ATOM 0 H GLY A 75 14.646 2.689 12.916 1.00 41.01 H new ATOM 0 HA2 GLY A 75 14.249 4.099 14.879 1.00 0.13 H new ATOM 0 HA3 GLY A 75 15.976 4.382 14.967 1.00 0.13 H new ATOM 1375 N THR A 76 15.632 5.377 12.185 1.00 71.52 N ATOM 1376 CA THR A 76 15.556 6.489 11.233 1.00 14.02 C ATOM 1377 C THR A 76 14.102 6.848 10.931 1.00 24.24 C ATOM 1378 O THR A 76 13.284 5.974 10.635 1.00 72.14 O ATOM 1379 CB THR A 76 16.295 6.138 9.934 1.00 43.14 C ATOM 1380 OG1 THR A 76 17.673 5.906 10.190 1.00 2.34 O ATOM 1381 CG2 THR A 76 16.198 7.214 8.864 1.00 5.13 C ATOM 0 H THR A 76 16.200 4.591 11.870 1.00 71.52 H new ATOM 0 HA THR A 76 16.038 7.355 11.687 1.00 14.02 H new ATOM 0 HB THR A 76 15.802 5.241 9.560 1.00 43.14 H new ATOM 0 HG1 THR A 76 18.128 5.682 9.352 1.00 2.34 H new ATOM 0 HG21 THR A 76 16.744 6.895 7.976 1.00 5.13 H new ATOM 0 HG22 THR A 76 15.152 7.378 8.607 1.00 5.13 H new ATOM 0 HG23 THR A 76 16.629 8.142 9.241 1.00 5.13 H new ATOM 1389 N GLU A 77 13.789 8.139 11.017 1.00 21.10 N ATOM 1390 CA GLU A 77 12.434 8.618 10.763 1.00 65.25 C ATOM 1391 C GLU A 77 12.359 9.422 9.465 1.00 53.33 C ATOM 1392 O GLU A 77 13.123 10.366 9.258 1.00 12.43 O ATOM 1393 CB GLU A 77 11.929 9.462 11.942 1.00 4.23 C ATOM 1394 CG GLU A 77 12.974 10.390 12.547 1.00 42.22 C ATOM 1395 CD GLU A 77 13.733 9.753 13.695 1.00 55.32 C ATOM 1396 OE1 GLU A 77 13.086 9.347 14.685 1.00 41.12 O ATOM 1397 OE2 GLU A 77 14.975 9.662 13.606 1.00 73.52 O ATOM 0 H GLU A 77 14.456 8.871 11.261 1.00 21.10 H new ATOM 0 HA GLU A 77 11.791 7.745 10.655 1.00 65.25 H new ATOM 0 HB2 GLU A 77 11.081 10.059 11.608 1.00 4.23 H new ATOM 0 HB3 GLU A 77 11.561 8.793 12.720 1.00 4.23 H new ATOM 0 HG2 GLU A 77 13.680 10.688 11.772 1.00 42.22 H new ATOM 0 HG3 GLU A 77 12.486 11.298 12.900 1.00 42.22 H new ATOM 1404 N LEU A 78 11.421 9.035 8.599 1.00 44.02 N ATOM 1405 CA LEU A 78 11.211 9.704 7.313 1.00 74.41 C ATOM 1406 C LEU A 78 9.897 10.478 7.331 1.00 65.44 C ATOM 1407 O LEU A 78 9.094 10.330 8.255 1.00 53.24 O ATOM 1408 CB LEU A 78 11.175 8.681 6.164 1.00 53.34 C ATOM 1409 CG LEU A 78 12.216 7.551 6.213 1.00 24.10 C ATOM 1410 CD1 LEU A 78 13.501 7.999 6.898 1.00 43.13 C ATOM 1411 CD2 LEU A 78 11.635 6.328 6.904 1.00 53.31 C ATOM 0 H LEU A 78 10.788 8.253 8.767 1.00 44.02 H new ATOM 0 HA LEU A 78 12.041 10.392 7.153 1.00 74.41 H new ATOM 0 HB2 LEU A 78 10.183 8.229 6.142 1.00 53.34 H new ATOM 0 HB3 LEU A 78 11.301 9.220 5.225 1.00 53.34 H new ATOM 0 HG LEU A 78 12.470 7.287 5.187 1.00 24.10 H new ATOM 0 HD11 LEU A 78 14.212 7.173 6.913 1.00 43.13 H new ATOM 0 HD12 LEU A 78 13.931 8.838 6.351 1.00 43.13 H new ATOM 0 HD13 LEU A 78 13.280 8.307 7.920 1.00 43.13 H new ATOM 0 HD21 LEU A 78 12.383 5.536 6.931 1.00 53.31 H new ATOM 0 HD22 LEU A 78 11.345 6.589 7.922 1.00 53.31 H new ATOM 0 HD23 LEU A 78 10.760 5.981 6.355 1.00 53.31 H new ATOM 1423 N ARG A 79 9.670 11.282 6.295 1.00 45.21 N ATOM 1424 CA ARG A 79 8.443 12.053 6.179 1.00 51.34 C ATOM 1425 C ARG A 79 7.823 11.819 4.809 1.00 35.54 C ATOM 1426 O ARG A 79 8.383 12.219 3.783 1.00 14.43 O ATOM 1427 CB ARG A 79 8.708 13.541 6.410 1.00 45.42 C ATOM 1428 CG ARG A 79 8.078 14.065 7.689 1.00 13.20 C ATOM 1429 CD ARG A 79 7.708 15.534 7.570 1.00 13.10 C ATOM 1430 NE ARG A 79 6.288 15.769 7.837 1.00 40.04 N ATOM 1431 CZ ARG A 79 5.682 16.944 7.646 1.00 14.34 C ATOM 1432 NH1 ARG A 79 6.373 17.989 7.195 1.00 31.25 N ATOM 1433 NH2 ARG A 79 4.383 17.073 7.896 1.00 63.35 N ATOM 0 H ARG A 79 10.324 11.414 5.524 1.00 45.21 H new ATOM 0 HA ARG A 79 7.744 11.722 6.947 1.00 51.34 H new ATOM 0 HB2 ARG A 79 9.784 13.711 6.445 1.00 45.42 H new ATOM 0 HB3 ARG A 79 8.323 14.109 5.563 1.00 45.42 H new ATOM 0 HG2 ARG A 79 7.186 13.482 7.921 1.00 13.20 H new ATOM 0 HG3 ARG A 79 8.772 13.930 8.519 1.00 13.20 H new ATOM 0 HD2 ARG A 79 8.309 16.116 8.269 1.00 13.10 H new ATOM 0 HD3 ARG A 79 7.951 15.888 6.568 1.00 13.10 H new ATOM 0 HE ARG A 79 5.730 14.991 8.189 1.00 40.04 H new ATOM 0 HH11 ARG A 79 7.368 17.894 6.994 1.00 31.25 H new ATOM 0 HH12 ARG A 79 5.907 18.885 7.050 1.00 31.25 H new ATOM 0 HH21 ARG A 79 3.847 16.274 8.234 1.00 63.35 H new ATOM 0 HH22 ARG A 79 3.922 17.971 7.750 1.00 63.35 H new ATOM 1447 N GLY A 80 6.677 11.146 4.799 1.00 20.12 N ATOM 1448 CA GLY A 80 6.005 10.844 3.552 1.00 5.12 C ATOM 1449 C GLY A 80 4.578 10.370 3.763 1.00 23.10 C ATOM 1450 O GLY A 80 4.072 10.388 4.893 1.00 3.42 O ATOM 0 H GLY A 80 6.202 10.805 5.635 1.00 20.12 H new ATOM 0 HA2 GLY A 80 6.000 11.733 2.921 1.00 5.12 H new ATOM 0 HA3 GLY A 80 6.565 10.076 3.018 1.00 5.12 H new ATOM 1454 N THR A 81 3.932 9.937 2.676 1.00 23.20 N ATOM 1455 CA THR A 81 2.550 9.434 2.722 1.00 3.01 C ATOM 1456 C THR A 81 2.045 9.088 1.324 1.00 23.23 C ATOM 1457 O THR A 81 2.812 9.082 0.356 1.00 65.31 O ATOM 1458 CB THR A 81 1.582 10.444 3.366 1.00 44.13 C ATOM 1459 OG1 THR A 81 2.191 11.707 3.568 1.00 5.01 O ATOM 1460 CG2 THR A 81 1.026 9.964 4.690 1.00 53.55 C ATOM 0 H THR A 81 4.346 9.924 1.744 1.00 23.20 H new ATOM 0 HA THR A 81 2.574 8.536 3.339 1.00 3.01 H new ATOM 0 HB THR A 81 0.761 10.540 2.655 1.00 44.13 H new ATOM 0 HG1 THR A 81 1.621 12.409 3.190 1.00 5.01 H new ATOM 0 HG21 THR A 81 0.351 10.717 5.096 1.00 53.55 H new ATOM 0 HG22 THR A 81 0.481 9.032 4.539 1.00 53.55 H new ATOM 0 HG23 THR A 81 1.845 9.797 5.389 1.00 53.55 H new ATOM 1468 N TRP A 82 0.743 8.812 1.227 1.00 2.44 N ATOM 1469 CA TRP A 82 0.120 8.477 -0.044 1.00 71.44 C ATOM 1470 C TRP A 82 -0.932 9.513 -0.423 1.00 1.42 C ATOM 1471 O TRP A 82 -1.664 10.014 0.434 1.00 12.53 O ATOM 1472 CB TRP A 82 -0.505 7.086 0.024 1.00 1.30 C ATOM 1473 CG TRP A 82 0.502 5.994 -0.117 1.00 33.42 C ATOM 1474 CD1 TRP A 82 1.312 5.496 0.861 1.00 4.21 C ATOM 1475 CD2 TRP A 82 0.819 5.274 -1.310 1.00 22.31 C ATOM 1476 NE1 TRP A 82 2.110 4.504 0.349 1.00 0.34 N ATOM 1477 CE2 TRP A 82 1.825 4.348 -0.981 1.00 33.30 C ATOM 1478 CE3 TRP A 82 0.345 5.320 -2.623 1.00 34.10 C ATOM 1479 CZ2 TRP A 82 2.368 3.476 -1.920 1.00 32.11 C ATOM 1480 CZ3 TRP A 82 0.885 4.456 -3.553 1.00 51.42 C ATOM 1481 CH2 TRP A 82 1.887 3.544 -3.198 1.00 21.24 C ATOM 0 H TRP A 82 0.102 8.815 2.020 1.00 2.44 H new ATOM 0 HA TRP A 82 0.892 8.479 -0.814 1.00 71.44 H new ATOM 0 HB2 TRP A 82 -1.027 6.973 0.974 1.00 1.30 H new ATOM 0 HB3 TRP A 82 -1.252 6.989 -0.764 1.00 1.30 H new ATOM 0 HD1 TRP A 82 1.324 5.833 1.887 1.00 4.21 H new ATOM 0 HE1 TRP A 82 2.803 3.970 0.874 1.00 0.34 H new ATOM 0 HE3 TRP A 82 -0.429 6.018 -2.905 1.00 34.10 H new ATOM 0 HZ2 TRP A 82 3.141 2.772 -1.649 1.00 32.11 H new ATOM 0 HZ3 TRP A 82 0.529 4.483 -4.572 1.00 51.42 H new ATOM 0 HH2 TRP A 82 2.288 2.880 -3.950 1.00 21.24 H new ATOM 1492 N SER A 83 -1.000 9.827 -1.713 1.00 0.45 N ATOM 1493 CA SER A 83 -1.955 10.802 -2.225 1.00 45.33 C ATOM 1494 C SER A 83 -2.276 10.513 -3.684 1.00 14.00 C ATOM 1495 O SER A 83 -1.373 10.371 -4.509 1.00 21.33 O ATOM 1496 CB SER A 83 -1.403 12.225 -2.081 1.00 45.54 C ATOM 1497 OG SER A 83 -1.256 12.584 -0.717 1.00 64.21 O ATOM 0 H SER A 83 -0.399 9.416 -2.428 1.00 0.45 H new ATOM 0 HA SER A 83 -2.871 10.723 -1.640 1.00 45.33 H new ATOM 0 HB2 SER A 83 -0.439 12.296 -2.584 1.00 45.54 H new ATOM 0 HB3 SER A 83 -2.073 12.929 -2.575 1.00 45.54 H new ATOM 0 HG SER A 83 -0.901 13.495 -0.655 1.00 64.21 H new ATOM 1503 N LEU A 84 -3.565 10.424 -3.997 1.00 31.40 N ATOM 1504 CA LEU A 84 -3.999 10.150 -5.358 1.00 34.22 C ATOM 1505 C LEU A 84 -3.914 11.411 -6.213 1.00 61.13 C ATOM 1506 O LEU A 84 -4.376 12.483 -5.811 1.00 43.23 O ATOM 1507 CB LEU A 84 -5.425 9.589 -5.353 1.00 23.12 C ATOM 1508 CG LEU A 84 -6.219 9.770 -6.648 1.00 1.51 C ATOM 1509 CD1 LEU A 84 -6.046 8.568 -7.566 1.00 32.23 C ATOM 1510 CD2 LEU A 84 -7.683 9.990 -6.325 1.00 4.53 C ATOM 0 H LEU A 84 -4.325 10.538 -3.326 1.00 31.40 H new ATOM 0 HA LEU A 84 -3.335 9.403 -5.794 1.00 34.22 H new ATOM 0 HB2 LEU A 84 -5.375 8.524 -5.126 1.00 23.12 H new ATOM 0 HB3 LEU A 84 -5.978 10.062 -4.541 1.00 23.12 H new ATOM 0 HG LEU A 84 -5.836 10.646 -7.172 1.00 1.51 H new ATOM 0 HD11 LEU A 84 -6.621 8.722 -8.479 1.00 32.23 H new ATOM 0 HD12 LEU A 84 -4.992 8.450 -7.816 1.00 32.23 H new ATOM 0 HD13 LEU A 84 -6.402 7.670 -7.061 1.00 32.23 H new ATOM 0 HD21 LEU A 84 -8.244 10.118 -7.250 1.00 4.53 H new ATOM 0 HD22 LEU A 84 -8.070 9.127 -5.783 1.00 4.53 H new ATOM 0 HD23 LEU A 84 -7.790 10.883 -5.709 1.00 4.53 H new ATOM 1522 N GLU A 85 -3.321 11.268 -7.394 1.00 64.11 N ATOM 1523 CA GLU A 85 -3.168 12.384 -8.326 1.00 75.32 C ATOM 1524 C GLU A 85 -3.578 11.961 -9.731 1.00 62.42 C ATOM 1525 O GLU A 85 -3.194 10.889 -10.205 1.00 4.22 O ATOM 1526 CB GLU A 85 -1.726 12.893 -8.335 1.00 42.01 C ATOM 1527 CG GLU A 85 -1.311 13.577 -7.041 1.00 31.23 C ATOM 1528 CD GLU A 85 0.147 13.992 -7.039 1.00 52.24 C ATOM 1529 OE1 GLU A 85 0.482 14.999 -7.699 1.00 72.51 O ATOM 1530 OE2 GLU A 85 0.955 13.311 -6.376 1.00 22.42 O ATOM 0 H GLU A 85 -2.936 10.386 -7.731 1.00 64.11 H new ATOM 0 HA GLU A 85 -3.818 13.193 -7.994 1.00 75.32 H new ATOM 0 HB2 GLU A 85 -1.055 12.055 -8.524 1.00 42.01 H new ATOM 0 HB3 GLU A 85 -1.602 13.593 -9.161 1.00 42.01 H new ATOM 0 HG2 GLU A 85 -1.935 14.457 -6.884 1.00 31.23 H new ATOM 0 HG3 GLU A 85 -1.494 12.903 -6.204 1.00 31.23 H new ATOM 1537 N GLY A 86 -4.365 12.808 -10.385 1.00 12.52 N ATOM 1538 CA GLY A 86 -4.829 12.513 -11.724 1.00 64.22 C ATOM 1539 C GLY A 86 -5.697 11.281 -11.771 1.00 60.35 C ATOM 1540 O GLY A 86 -6.871 11.312 -11.398 1.00 22.34 O ATOM 0 H GLY A 86 -4.690 13.698 -10.007 1.00 12.52 H new ATOM 0 HA2 GLY A 86 -5.390 13.365 -12.107 1.00 64.22 H new ATOM 0 HA3 GLY A 86 -3.971 12.375 -12.381 1.00 64.22 H new ATOM 1544 N ASN A 87 -5.103 10.203 -12.235 1.00 1.24 N ATOM 1545 CA ASN A 87 -5.790 8.918 -12.354 1.00 21.44 C ATOM 1546 C ASN A 87 -5.009 7.787 -11.670 1.00 4.41 C ATOM 1547 O ASN A 87 -5.206 6.614 -11.992 1.00 23.54 O ATOM 1548 CB ASN A 87 -6.003 8.563 -13.826 1.00 60.33 C ATOM 1549 CG ASN A 87 -4.896 9.082 -14.732 1.00 23.22 C ATOM 1550 OD1 ASN A 87 -5.104 10.010 -15.513 1.00 61.22 O ATOM 1551 ND2 ASN A 87 -3.712 8.483 -14.632 1.00 63.23 N ATOM 0 H ASN A 87 -4.131 10.184 -12.543 1.00 1.24 H new ATOM 0 HA ASN A 87 -6.753 9.021 -11.854 1.00 21.44 H new ATOM 0 HB2 ASN A 87 -6.068 7.480 -13.926 1.00 60.33 H new ATOM 0 HB3 ASN A 87 -6.957 8.972 -14.158 1.00 60.33 H new ATOM 0 HD21 ASN A 87 -2.934 8.790 -15.216 1.00 63.23 H new ATOM 0 HD22 ASN A 87 -3.582 7.717 -13.971 1.00 63.23 H new ATOM 1558 N LYS A 88 -4.115 8.138 -10.745 1.00 64.32 N ATOM 1559 CA LYS A 88 -3.300 7.128 -10.046 1.00 52.43 C ATOM 1560 C LYS A 88 -2.974 7.533 -8.605 1.00 52.45 C ATOM 1561 O LYS A 88 -3.154 8.689 -8.220 1.00 52.42 O ATOM 1562 CB LYS A 88 -1.999 6.883 -10.815 1.00 32.32 C ATOM 1563 CG LYS A 88 -2.157 5.927 -11.985 1.00 55.01 C ATOM 1564 CD LYS A 88 -0.830 5.670 -12.681 1.00 71.31 C ATOM 1565 CE LYS A 88 -0.972 4.635 -13.789 1.00 53.02 C ATOM 1566 NZ LYS A 88 -1.575 3.363 -13.298 1.00 72.34 N ATOM 0 H LYS A 88 -3.934 9.101 -10.461 1.00 64.32 H new ATOM 0 HA LYS A 88 -3.891 6.213 -10.004 1.00 52.43 H new ATOM 0 HB2 LYS A 88 -1.619 7.836 -11.184 1.00 32.32 H new ATOM 0 HB3 LYS A 88 -1.251 6.485 -10.130 1.00 32.32 H new ATOM 0 HG2 LYS A 88 -2.572 4.983 -11.631 1.00 55.01 H new ATOM 0 HG3 LYS A 88 -2.869 6.340 -12.699 1.00 55.01 H new ATOM 0 HD2 LYS A 88 -0.451 6.602 -13.099 1.00 71.31 H new ATOM 0 HD3 LYS A 88 -0.096 5.326 -11.952 1.00 71.31 H new ATOM 0 HE2 LYS A 88 -1.590 5.043 -14.588 1.00 53.02 H new ATOM 0 HE3 LYS A 88 0.008 4.428 -14.219 1.00 53.02 H new ATOM 0 HZ1 LYS A 88 -1.059 2.556 -13.702 1.00 72.34 H new ATOM 0 HZ2 LYS A 88 -1.514 3.328 -12.260 1.00 72.34 H new ATOM 0 HZ3 LYS A 88 -2.573 3.317 -13.588 1.00 72.34 H new ATOM 1580 N LEU A 89 -2.483 6.565 -7.812 1.00 61.13 N ATOM 1581 CA LEU A 89 -2.127 6.822 -6.413 1.00 43.02 C ATOM 1582 C LEU A 89 -0.623 6.956 -6.227 1.00 44.33 C ATOM 1583 O LEU A 89 0.153 6.089 -6.640 1.00 32.12 O ATOM 1584 CB LEU A 89 -2.671 5.736 -5.489 1.00 42.03 C ATOM 1585 CG LEU A 89 -3.723 6.247 -4.515 1.00 14.45 C ATOM 1586 CD1 LEU A 89 -4.782 5.198 -4.249 1.00 0.51 C ATOM 1587 CD2 LEU A 89 -3.092 6.718 -3.215 1.00 0.44 C ATOM 0 H LEU A 89 -2.326 5.604 -8.117 1.00 61.13 H new ATOM 0 HA LEU A 89 -2.590 7.771 -6.144 1.00 43.02 H new ATOM 0 HB2 LEU A 89 -3.102 4.937 -6.093 1.00 42.03 H new ATOM 0 HB3 LEU A 89 -1.846 5.300 -4.926 1.00 42.03 H new ATOM 0 HG LEU A 89 -4.208 7.104 -4.981 1.00 14.45 H new ATOM 0 HD11 LEU A 89 -5.519 5.594 -3.550 1.00 0.51 H new ATOM 0 HD12 LEU A 89 -5.275 4.933 -5.184 1.00 0.51 H new ATOM 0 HD13 LEU A 89 -4.316 4.311 -3.821 1.00 0.51 H new ATOM 0 HD21 LEU A 89 -3.871 7.077 -2.542 1.00 0.44 H new ATOM 0 HD22 LEU A 89 -2.561 5.889 -2.747 1.00 0.44 H new ATOM 0 HD23 LEU A 89 -2.391 7.527 -3.423 1.00 0.44 H new ATOM 1599 N ILE A 90 -0.234 8.068 -5.609 1.00 20.31 N ATOM 1600 CA ILE A 90 1.166 8.387 -5.362 1.00 1.33 C ATOM 1601 C ILE A 90 1.597 8.093 -3.926 1.00 73.44 C ATOM 1602 O ILE A 90 0.960 8.538 -2.972 1.00 20.44 O ATOM 1603 CB ILE A 90 1.419 9.883 -5.647 1.00 4.10 C ATOM 1604 CG1 ILE A 90 1.029 10.228 -7.090 1.00 51.03 C ATOM 1605 CG2 ILE A 90 2.875 10.248 -5.384 1.00 1.00 C ATOM 1606 CD1 ILE A 90 1.559 9.250 -8.120 1.00 22.33 C ATOM 0 H ILE A 90 -0.884 8.774 -5.265 1.00 20.31 H new ATOM 0 HA ILE A 90 1.751 7.753 -6.028 1.00 1.33 H new ATOM 0 HB ILE A 90 0.796 10.468 -4.971 1.00 4.10 H new ATOM 0 HG12 ILE A 90 -0.058 10.264 -7.163 1.00 51.03 H new ATOM 0 HG13 ILE A 90 1.398 11.226 -7.327 1.00 51.03 H new ATOM 0 HG21 ILE A 90 3.028 11.307 -5.592 1.00 1.00 H new ATOM 0 HG22 ILE A 90 3.119 10.044 -4.341 1.00 1.00 H new ATOM 0 HG23 ILE A 90 3.521 9.654 -6.030 1.00 1.00 H new ATOM 0 HD11 ILE A 90 1.241 9.562 -9.115 1.00 22.33 H new ATOM 0 HD12 ILE A 90 2.648 9.230 -8.076 1.00 22.33 H new ATOM 0 HD13 ILE A 90 1.169 8.254 -7.910 1.00 22.33 H new ATOM 1618 N GLY A 91 2.712 7.376 -3.790 1.00 11.44 N ATOM 1619 CA GLY A 91 3.263 7.065 -2.485 1.00 34.30 C ATOM 1620 C GLY A 91 4.701 7.530 -2.409 1.00 1.33 C ATOM 1621 O GLY A 91 5.547 7.042 -3.158 1.00 53.25 O ATOM 0 H GLY A 91 3.247 7.002 -4.573 1.00 11.44 H new ATOM 0 HA2 GLY A 91 2.673 7.550 -1.707 1.00 34.30 H new ATOM 0 HA3 GLY A 91 3.209 5.991 -2.304 1.00 34.30 H new ATOM 1625 N LYS A 92 4.983 8.501 -1.546 1.00 23.42 N ATOM 1626 CA LYS A 92 6.337 9.035 -1.448 1.00 62.21 C ATOM 1627 C LYS A 92 6.813 9.187 -0.009 1.00 60.24 C ATOM 1628 O LYS A 92 6.065 9.622 0.869 1.00 45.22 O ATOM 1629 CB LYS A 92 6.414 10.387 -2.158 1.00 51.24 C ATOM 1630 CG LYS A 92 7.068 10.320 -3.530 1.00 23.40 C ATOM 1631 CD LYS A 92 6.548 11.411 -4.457 1.00 20.43 C ATOM 1632 CE LYS A 92 6.544 12.778 -3.784 1.00 73.31 C ATOM 1633 NZ LYS A 92 7.900 13.174 -3.305 1.00 21.42 N ATOM 0 H LYS A 92 4.305 8.928 -0.915 1.00 23.42 H new ATOM 0 HA LYS A 92 6.997 8.314 -1.930 1.00 62.21 H new ATOM 0 HB2 LYS A 92 5.407 10.790 -2.265 1.00 51.24 H new ATOM 0 HB3 LYS A 92 6.972 11.085 -1.533 1.00 51.24 H new ATOM 0 HG2 LYS A 92 8.148 10.418 -3.423 1.00 23.40 H new ATOM 0 HG3 LYS A 92 6.879 9.343 -3.976 1.00 23.40 H new ATOM 0 HD2 LYS A 92 7.167 11.450 -5.354 1.00 20.43 H new ATOM 0 HD3 LYS A 92 5.537 11.162 -4.778 1.00 20.43 H new ATOM 0 HE2 LYS A 92 6.176 13.526 -4.486 1.00 73.31 H new ATOM 0 HE3 LYS A 92 5.853 12.764 -2.942 1.00 73.31 H new ATOM 0 HZ1 LYS A 92 7.870 14.150 -2.946 1.00 21.42 H new ATOM 0 HZ2 LYS A 92 8.199 12.534 -2.542 1.00 21.42 H new ATOM 0 HZ3 LYS A 92 8.577 13.115 -4.092 1.00 21.42 H new ATOM 1647 N PHE A 93 8.085 8.849 0.200 1.00 55.42 N ATOM 1648 CA PHE A 93 8.736 8.958 1.505 1.00 52.52 C ATOM 1649 C PHE A 93 10.205 9.313 1.290 1.00 0.02 C ATOM 1650 O PHE A 93 10.832 8.808 0.353 1.00 21.33 O ATOM 1651 CB PHE A 93 8.611 7.650 2.295 1.00 22.45 C ATOM 1652 CG PHE A 93 7.189 7.273 2.609 1.00 11.02 C ATOM 1653 CD1 PHE A 93 6.435 6.541 1.706 1.00 61.11 C ATOM 1654 CD2 PHE A 93 6.609 7.655 3.805 1.00 4.00 C ATOM 1655 CE1 PHE A 93 5.127 6.197 1.992 1.00 3.31 C ATOM 1656 CE2 PHE A 93 5.302 7.315 4.098 1.00 14.40 C ATOM 1657 CZ PHE A 93 4.560 6.585 3.190 1.00 43.22 C ATOM 0 H PHE A 93 8.695 8.490 -0.534 1.00 55.42 H new ATOM 0 HA PHE A 93 8.247 9.739 2.087 1.00 52.52 H new ATOM 0 HB2 PHE A 93 9.075 6.845 1.725 1.00 22.45 H new ATOM 0 HB3 PHE A 93 9.168 7.743 3.227 1.00 22.45 H new ATOM 0 HD1 PHE A 93 6.874 6.236 0.768 1.00 61.11 H new ATOM 0 HD2 PHE A 93 7.184 8.226 4.519 1.00 4.00 H new ATOM 0 HE1 PHE A 93 4.550 5.626 1.280 1.00 3.31 H new ATOM 0 HE2 PHE A 93 4.861 7.620 5.036 1.00 14.40 H new ATOM 0 HZ PHE A 93 3.538 6.318 3.417 1.00 43.22 H new ATOM 1667 N LYS A 94 10.751 10.204 2.121 1.00 20.41 N ATOM 1668 CA LYS A 94 12.145 10.625 1.948 1.00 73.43 C ATOM 1669 C LYS A 94 12.953 10.573 3.245 1.00 0.35 C ATOM 1670 O LYS A 94 12.468 10.968 4.308 1.00 11.12 O ATOM 1671 CB LYS A 94 12.194 12.046 1.382 1.00 3.53 C ATOM 1672 CG LYS A 94 11.430 12.210 0.077 1.00 3.51 C ATOM 1673 CD LYS A 94 10.979 13.647 -0.134 1.00 21.40 C ATOM 1674 CE LYS A 94 12.151 14.562 -0.462 1.00 74.22 C ATOM 1675 NZ LYS A 94 11.819 15.531 -1.544 1.00 44.32 N ATOM 0 H LYS A 94 10.263 10.640 2.904 1.00 20.41 H new ATOM 0 HA LYS A 94 12.599 9.918 1.254 1.00 73.43 H new ATOM 0 HB2 LYS A 94 11.787 12.736 2.121 1.00 3.53 H new ATOM 0 HB3 LYS A 94 13.235 12.328 1.222 1.00 3.53 H new ATOM 0 HG2 LYS A 94 12.062 11.901 -0.756 1.00 3.51 H new ATOM 0 HG3 LYS A 94 10.561 11.552 0.079 1.00 3.51 H new ATOM 0 HD2 LYS A 94 10.250 13.685 -0.944 1.00 21.40 H new ATOM 0 HD3 LYS A 94 10.477 14.007 0.764 1.00 21.40 H new ATOM 0 HE2 LYS A 94 12.447 15.107 0.434 1.00 74.22 H new ATOM 0 HE3 LYS A 94 13.007 13.959 -0.766 1.00 74.22 H new ATOM 0 HZ1 LYS A 94 12.661 15.697 -2.131 1.00 44.32 H new ATOM 0 HZ2 LYS A 94 11.056 15.144 -2.135 1.00 44.32 H new ATOM 0 HZ3 LYS A 94 11.508 16.429 -1.122 1.00 44.32 H new ATOM 1689 N ARG A 95 14.207 10.114 3.133 1.00 20.31 N ATOM 1690 CA ARG A 95 15.116 10.044 4.282 1.00 34.34 C ATOM 1691 C ARG A 95 15.412 11.450 4.802 1.00 4.43 C ATOM 1692 O ARG A 95 15.497 12.397 4.020 1.00 43.14 O ATOM 1693 CB ARG A 95 16.435 9.380 3.878 1.00 61.13 C ATOM 1694 CG ARG A 95 16.314 7.903 3.548 1.00 63.13 C ATOM 1695 CD ARG A 95 17.380 7.461 2.555 1.00 21.50 C ATOM 1696 NE ARG A 95 18.427 6.657 3.185 1.00 13.12 N ATOM 1697 CZ ARG A 95 19.481 7.171 3.825 1.00 2.33 C ATOM 1698 NH1 ARG A 95 19.635 8.489 3.919 1.00 45.44 N ATOM 1699 NH2 ARG A 95 20.388 6.367 4.366 1.00 1.10 N ATOM 0 H ARG A 95 14.614 9.786 2.257 1.00 20.31 H new ATOM 0 HA ARG A 95 14.635 9.454 5.062 1.00 34.34 H new ATOM 0 HB2 ARG A 95 16.841 9.902 3.012 1.00 61.13 H new ATOM 0 HB3 ARG A 95 17.153 9.502 4.689 1.00 61.13 H new ATOM 0 HG2 ARG A 95 16.403 7.317 4.463 1.00 63.13 H new ATOM 0 HG3 ARG A 95 15.326 7.702 3.135 1.00 63.13 H new ATOM 0 HD2 ARG A 95 16.913 6.884 1.757 1.00 21.50 H new ATOM 0 HD3 ARG A 95 17.829 8.340 2.092 1.00 21.50 H new ATOM 0 HE ARG A 95 18.347 5.641 3.132 1.00 13.12 H new ATOM 0 HH11 ARG A 95 18.946 9.114 3.501 1.00 45.44 H new ATOM 0 HH12 ARG A 95 20.442 8.874 4.409 1.00 45.44 H new ATOM 0 HH21 ARG A 95 20.281 5.355 4.293 1.00 1.10 H new ATOM 0 HH22 ARG A 95 21.192 6.761 4.854 1.00 1.10 H new ATOM 1713 N THR A 96 15.584 11.587 6.114 1.00 12.42 N ATOM 1714 CA THR A 96 15.886 12.893 6.704 1.00 71.44 C ATOM 1715 C THR A 96 17.385 13.210 6.625 1.00 43.04 C ATOM 1716 O THR A 96 17.784 14.374 6.705 1.00 55.51 O ATOM 1717 CB THR A 96 15.407 12.953 8.158 1.00 14.53 C ATOM 1718 OG1 THR A 96 15.365 14.296 8.609 1.00 23.42 O ATOM 1719 CG2 THR A 96 16.279 12.170 9.120 1.00 13.31 C ATOM 0 H THR A 96 15.521 10.821 6.784 1.00 12.42 H new ATOM 0 HA THR A 96 15.351 13.647 6.127 1.00 71.44 H new ATOM 0 HB THR A 96 14.416 12.500 8.154 1.00 14.53 H new ATOM 0 HG1 THR A 96 15.056 14.319 9.539 1.00 23.42 H new ATOM 0 HG21 THR A 96 15.878 12.259 10.130 1.00 13.31 H new ATOM 0 HG22 THR A 96 16.293 11.120 8.826 1.00 13.31 H new ATOM 0 HG23 THR A 96 17.294 12.567 9.097 1.00 13.31 H new ATOM 1727 N ASP A 97 18.206 12.168 6.471 1.00 52.55 N ATOM 1728 CA ASP A 97 19.657 12.328 6.385 1.00 20.54 C ATOM 1729 C ASP A 97 20.040 13.266 5.242 1.00 75.24 C ATOM 1730 O ASP A 97 20.537 14.370 5.476 1.00 61.44 O ATOM 1731 CB ASP A 97 20.341 10.970 6.183 1.00 0.20 C ATOM 1732 CG ASP A 97 19.825 9.897 7.126 1.00 24.51 C ATOM 1733 OD1 ASP A 97 18.667 9.457 6.950 1.00 60.22 O ATOM 1734 OD2 ASP A 97 20.583 9.491 8.031 1.00 61.23 O ATOM 0 H ASP A 97 17.887 11.201 6.403 1.00 52.55 H new ATOM 0 HA ASP A 97 19.995 12.764 7.325 1.00 20.54 H new ATOM 0 HB2 ASP A 97 20.191 10.644 5.154 1.00 0.20 H new ATOM 0 HB3 ASP A 97 21.415 11.086 6.327 1.00 0.20 H new ATOM 1739 N ASN A 98 19.809 12.818 4.006 1.00 54.01 N ATOM 1740 CA ASN A 98 20.137 13.621 2.825 1.00 64.15 C ATOM 1741 C ASN A 98 18.885 13.999 2.031 1.00 33.43 C ATOM 1742 O ASN A 98 18.908 14.962 1.264 1.00 60.31 O ATOM 1743 CB ASN A 98 21.118 12.875 1.906 1.00 55.15 C ATOM 1744 CG ASN A 98 21.739 11.650 2.555 1.00 41.12 C ATOM 1745 OD1 ASN A 98 22.716 11.755 3.296 1.00 42.33 O ATOM 1746 ND2 ASN A 98 21.174 10.480 2.280 1.00 12.13 N ATOM 0 H ASN A 98 19.398 11.908 3.797 1.00 54.01 H new ATOM 0 HA ASN A 98 20.607 14.536 3.187 1.00 64.15 H new ATOM 0 HB2 ASN A 98 20.595 12.571 0.999 1.00 55.15 H new ATOM 0 HB3 ASN A 98 21.911 13.558 1.603 1.00 55.15 H new ATOM 0 HD21 ASN A 98 21.549 9.624 2.689 1.00 12.13 H new ATOM 0 HD22 ASN A 98 20.365 10.437 1.660 1.00 12.13 H new ATOM 1753 N GLY A 99 17.793 13.247 2.212 1.00 14.42 N ATOM 1754 CA GLY A 99 16.567 13.541 1.492 1.00 60.44 C ATOM 1755 C GLY A 99 16.345 12.625 0.303 1.00 33.13 C ATOM 1756 O GLY A 99 15.832 13.067 -0.727 1.00 20.23 O ATOM 0 H GLY A 99 17.741 12.446 2.841 1.00 14.42 H new ATOM 0 HA2 GLY A 99 15.721 13.454 2.174 1.00 60.44 H new ATOM 0 HA3 GLY A 99 16.593 14.575 1.148 1.00 60.44 H new ATOM 1760 N ASN A 100 16.726 11.345 0.432 1.00 74.43 N ATOM 1761 CA ASN A 100 16.549 10.389 -0.662 1.00 44.31 C ATOM 1762 C ASN A 100 15.079 10.297 -1.034 1.00 43.34 C ATOM 1763 O ASN A 100 14.231 10.014 -0.186 1.00 1.23 O ATOM 1764 CB ASN A 100 17.076 9.001 -0.293 1.00 32.25 C ATOM 1765 CG ASN A 100 18.565 8.998 -0.008 1.00 2.45 C ATOM 1766 OD1 ASN A 100 19.047 9.750 0.838 1.00 53.33 O ATOM 1767 ND2 ASN A 100 19.302 8.149 -0.714 1.00 24.11 N ATOM 0 H ASN A 100 17.153 10.956 1.273 1.00 74.43 H new ATOM 0 HA ASN A 100 17.125 10.750 -1.514 1.00 44.31 H new ATOM 0 HB2 ASN A 100 16.542 8.635 0.584 1.00 32.25 H new ATOM 0 HB3 ASN A 100 16.865 8.308 -1.107 1.00 32.25 H new ATOM 0 HD21 ASN A 100 20.310 8.102 -0.565 1.00 24.11 H new ATOM 0 HD22 ASN A 100 18.860 7.543 -1.406 1.00 24.11 H new ATOM 1774 N GLU A 101 14.781 10.560 -2.298 1.00 22.52 N ATOM 1775 CA GLU A 101 13.410 10.534 -2.778 1.00 32.12 C ATOM 1776 C GLU A 101 13.010 9.164 -3.308 1.00 22.24 C ATOM 1777 O GLU A 101 13.466 8.742 -4.374 1.00 42.32 O ATOM 1778 CB GLU A 101 13.216 11.579 -3.878 1.00 2.45 C ATOM 1779 CG GLU A 101 12.901 12.964 -3.351 1.00 1.02 C ATOM 1780 CD GLU A 101 11.788 13.644 -4.120 1.00 13.44 C ATOM 1781 OE1 GLU A 101 12.055 14.168 -5.222 1.00 64.13 O ATOM 1782 OE2 GLU A 101 10.647 13.656 -3.615 1.00 74.23 O ATOM 0 H GLU A 101 15.473 10.794 -3.010 1.00 22.52 H new ATOM 0 HA GLU A 101 12.770 10.764 -1.926 1.00 32.12 H new ATOM 0 HB2 GLU A 101 14.120 11.627 -4.485 1.00 2.45 H new ATOM 0 HB3 GLU A 101 12.408 11.257 -4.535 1.00 2.45 H new ATOM 0 HG2 GLU A 101 12.620 12.893 -2.300 1.00 1.02 H new ATOM 0 HG3 GLU A 101 13.799 13.580 -3.400 1.00 1.02 H new ATOM 1789 N LEU A 102 12.115 8.496 -2.582 1.00 41.21 N ATOM 1790 CA LEU A 102 11.606 7.200 -3.009 1.00 2.00 C ATOM 1791 C LEU A 102 10.206 7.380 -3.550 1.00 35.24 C ATOM 1792 O LEU A 102 9.440 8.204 -3.040 1.00 65.52 O ATOM 1793 CB LEU A 102 11.575 6.189 -1.872 1.00 20.22 C ATOM 1794 CG LEU A 102 11.256 4.758 -2.312 1.00 63.55 C ATOM 1795 CD1 LEU A 102 12.525 4.021 -2.709 1.00 24.43 C ATOM 1796 CD2 LEU A 102 10.518 4.013 -1.216 1.00 61.14 C ATOM 0 H LEU A 102 11.730 8.832 -1.699 1.00 41.21 H new ATOM 0 HA LEU A 102 12.277 6.813 -3.776 1.00 2.00 H new ATOM 0 HB2 LEU A 102 12.542 6.195 -1.369 1.00 20.22 H new ATOM 0 HB3 LEU A 102 10.833 6.506 -1.139 1.00 20.22 H new ATOM 0 HG LEU A 102 10.606 4.806 -3.186 1.00 63.55 H new ATOM 0 HD11 LEU A 102 12.275 3.006 -3.018 1.00 24.43 H new ATOM 0 HD12 LEU A 102 13.006 4.544 -3.536 1.00 24.43 H new ATOM 0 HD13 LEU A 102 13.205 3.984 -1.858 1.00 24.43 H new ATOM 0 HD21 LEU A 102 10.301 2.998 -1.549 1.00 61.14 H new ATOM 0 HD22 LEU A 102 11.138 3.976 -0.320 1.00 61.14 H new ATOM 0 HD23 LEU A 102 9.585 4.529 -0.991 1.00 61.14 H new ATOM 1808 N ASN A 103 9.873 6.631 -4.589 1.00 22.34 N ATOM 1809 CA ASN A 103 8.559 6.751 -5.192 1.00 0.05 C ATOM 1810 C ASN A 103 7.882 5.391 -5.320 1.00 32.40 C ATOM 1811 O ASN A 103 8.454 4.452 -5.875 1.00 33.12 O ATOM 1812 CB ASN A 103 8.656 7.444 -6.563 1.00 52.15 C ATOM 1813 CG ASN A 103 10.065 7.934 -6.884 1.00 74.21 C ATOM 1814 OD1 ASN A 103 10.573 8.876 -6.089 1.00 52.44 O flip ATOM 1815 ND2 ASN A 103 10.690 7.470 -7.838 1.00 22.52 N flip ATOM 0 H ASN A 103 10.486 5.943 -5.026 1.00 22.34 H new ATOM 0 HA ASN A 103 7.943 7.366 -4.536 1.00 0.05 H new ATOM 0 HB2 ASN A 103 8.333 6.750 -7.339 1.00 52.15 H new ATOM 0 HB3 ASN A 103 7.969 8.290 -6.586 1.00 52.15 H new ATOM 0 HD21 ASN A 103 10.267 6.750 -8.423 1.00 22.52 H new ATOM 0 HD22 ASN A 103 11.631 7.806 -8.043 1.00 22.52 H new ATOM 1822 N THR A 104 6.660 5.293 -4.796 1.00 21.42 N ATOM 1823 CA THR A 104 5.898 4.048 -4.841 1.00 25.23 C ATOM 1824 C THR A 104 4.469 4.288 -5.319 1.00 51.23 C ATOM 1825 O THR A 104 3.846 5.288 -4.966 1.00 61.42 O ATOM 1826 CB THR A 104 5.886 3.381 -3.460 1.00 42.52 C ATOM 1827 OG1 THR A 104 5.058 2.230 -3.458 1.00 23.22 O ATOM 1828 CG2 THR A 104 5.407 4.285 -2.345 1.00 24.22 C ATOM 0 H THR A 104 6.177 6.064 -4.335 1.00 21.42 H new ATOM 0 HA THR A 104 6.386 3.384 -5.555 1.00 25.23 H new ATOM 0 HB THR A 104 6.928 3.124 -3.271 1.00 42.52 H new ATOM 0 HG1 THR A 104 5.430 1.560 -2.847 1.00 23.22 H new ATOM 0 HG21 THR A 104 5.428 3.741 -1.401 1.00 24.22 H new ATOM 0 HG22 THR A 104 6.060 5.155 -2.276 1.00 24.22 H new ATOM 0 HG23 THR A 104 4.388 4.611 -2.553 1.00 24.22 H new ATOM 1836 N VAL A 105 3.959 3.362 -6.125 1.00 20.15 N ATOM 1837 CA VAL A 105 2.593 3.471 -6.657 1.00 20.20 C ATOM 1838 C VAL A 105 1.723 2.280 -6.230 1.00 42.35 C ATOM 1839 O VAL A 105 2.216 1.155 -6.115 1.00 42.25 O ATOM 1840 CB VAL A 105 2.595 3.571 -8.200 1.00 0.21 C ATOM 1841 CG1 VAL A 105 1.234 4.020 -8.713 1.00 73.52 C ATOM 1842 CG2 VAL A 105 3.687 4.522 -8.675 1.00 34.11 C ATOM 0 H VAL A 105 4.464 2.529 -6.427 1.00 20.15 H new ATOM 0 HA VAL A 105 2.169 4.385 -6.240 1.00 20.20 H new ATOM 0 HB VAL A 105 2.802 2.580 -8.605 1.00 0.21 H new ATOM 0 HG11 VAL A 105 1.258 4.084 -9.801 1.00 73.52 H new ATOM 0 HG12 VAL A 105 0.475 3.300 -8.408 1.00 73.52 H new ATOM 0 HG13 VAL A 105 0.993 4.999 -8.298 1.00 73.52 H new ATOM 0 HG21 VAL A 105 3.672 4.579 -9.763 1.00 34.11 H new ATOM 0 HG22 VAL A 105 3.513 5.514 -8.258 1.00 34.11 H new ATOM 0 HG23 VAL A 105 4.658 4.155 -8.344 1.00 34.11 H new ATOM 1852 N ARG A 106 0.424 2.532 -5.999 1.00 13.20 N ATOM 1853 CA ARG A 106 -0.504 1.470 -5.591 1.00 34.51 C ATOM 1854 C ARG A 106 -1.448 1.110 -6.740 1.00 60.22 C ATOM 1855 O ARG A 106 -2.223 1.957 -7.192 1.00 12.12 O ATOM 1856 CB ARG A 106 -1.329 1.912 -4.375 1.00 32.31 C ATOM 1857 CG ARG A 106 -0.726 1.514 -3.036 1.00 51.51 C ATOM 1858 CD ARG A 106 -1.804 1.265 -1.988 1.00 54.04 C ATOM 1859 NE ARG A 106 -1.836 2.308 -0.958 1.00 40.21 N ATOM 1860 CZ ARG A 106 -0.904 2.456 -0.010 1.00 73.12 C ATOM 1861 NH1 ARG A 106 0.159 1.662 0.017 1.00 4.01 N ATOM 1862 NH2 ARG A 106 -1.034 3.406 0.912 1.00 12.20 N ATOM 0 H ARG A 106 -0.002 3.454 -6.087 1.00 13.20 H new ATOM 0 HA ARG A 106 0.086 0.593 -5.324 1.00 34.51 H new ATOM 0 HB2 ARG A 106 -1.443 2.996 -4.402 1.00 32.31 H new ATOM 0 HB3 ARG A 106 -2.328 1.484 -4.453 1.00 32.31 H new ATOM 0 HG2 ARG A 106 -0.124 0.614 -3.160 1.00 51.51 H new ATOM 0 HG3 ARG A 106 -0.056 2.301 -2.690 1.00 51.51 H new ATOM 0 HD2 ARG A 106 -2.777 1.212 -2.477 1.00 54.04 H new ATOM 0 HD3 ARG A 106 -1.631 0.298 -1.516 1.00 54.04 H new ATOM 0 HE ARG A 106 -2.619 2.962 -0.965 1.00 40.21 H new ATOM 0 HH11 ARG A 106 0.269 0.933 -0.688 1.00 4.01 H new ATOM 0 HH12 ARG A 106 0.866 1.781 0.743 1.00 4.01 H new ATOM 0 HH21 ARG A 106 -1.846 4.024 0.897 1.00 12.20 H new ATOM 0 HH22 ARG A 106 -0.322 3.517 1.634 1.00 12.20 H new ATOM 1876 N GLU A 107 -1.382 -0.137 -7.224 1.00 44.54 N ATOM 1877 CA GLU A 107 -2.241 -0.561 -8.328 1.00 24.13 C ATOM 1878 C GLU A 107 -2.738 -1.997 -8.137 1.00 22.43 C ATOM 1879 O GLU A 107 -2.197 -2.752 -7.330 1.00 22.14 O ATOM 1880 CB GLU A 107 -1.455 -0.452 -9.642 1.00 31.42 C ATOM 1881 CG GLU A 107 -2.316 -0.469 -10.896 1.00 32.33 C ATOM 1882 CD GLU A 107 -1.490 -0.522 -12.167 1.00 55.31 C ATOM 1883 OE1 GLU A 107 -1.022 0.545 -12.619 1.00 42.53 O ATOM 1884 OE2 GLU A 107 -1.316 -1.631 -12.714 1.00 4.10 O ATOM 0 H GLU A 107 -0.752 -0.858 -6.872 1.00 44.54 H new ATOM 0 HA GLU A 107 -3.115 0.089 -8.355 1.00 24.13 H new ATOM 0 HB2 GLU A 107 -0.874 0.470 -9.628 1.00 31.42 H new ATOM 0 HB3 GLU A 107 -0.743 -1.276 -9.694 1.00 31.42 H new ATOM 0 HG2 GLU A 107 -2.983 -1.331 -10.864 1.00 32.33 H new ATOM 0 HG3 GLU A 107 -2.946 0.421 -10.913 1.00 32.33 H new ATOM 1891 N ILE A 108 -3.752 -2.375 -8.916 1.00 13.10 N ATOM 1892 CA ILE A 108 -4.285 -3.730 -8.879 1.00 44.22 C ATOM 1893 C ILE A 108 -4.450 -4.252 -10.303 1.00 5.23 C ATOM 1894 O ILE A 108 -5.086 -3.610 -11.144 1.00 41.25 O ATOM 1895 CB ILE A 108 -5.629 -3.865 -8.122 1.00 35.41 C ATOM 1896 CG1 ILE A 108 -5.916 -5.353 -7.909 1.00 34.13 C ATOM 1897 CG2 ILE A 108 -6.766 -3.192 -8.880 1.00 11.13 C ATOM 1898 CD1 ILE A 108 -6.518 -5.676 -6.567 1.00 52.04 C ATOM 0 H ILE A 108 -4.219 -1.758 -9.580 1.00 13.10 H new ATOM 0 HA ILE A 108 -3.561 -4.324 -8.321 1.00 44.22 H new ATOM 0 HB ILE A 108 -5.554 -3.361 -7.159 1.00 35.41 H new ATOM 0 HG12 ILE A 108 -6.592 -5.697 -8.691 1.00 34.13 H new ATOM 0 HG13 ILE A 108 -4.987 -5.911 -8.023 1.00 34.13 H new ATOM 0 HG21 ILE A 108 -7.694 -3.306 -8.320 1.00 11.13 H new ATOM 0 HG22 ILE A 108 -6.544 -2.132 -9.003 1.00 11.13 H new ATOM 0 HG23 ILE A 108 -6.874 -3.656 -9.860 1.00 11.13 H new ATOM 0 HD11 ILE A 108 -6.691 -6.750 -6.495 1.00 52.04 H new ATOM 0 HD12 ILE A 108 -5.834 -5.365 -5.777 1.00 52.04 H new ATOM 0 HD13 ILE A 108 -7.465 -5.148 -6.456 1.00 52.04 H new ATOM 1910 N ILE A 109 -3.856 -5.407 -10.571 1.00 5.03 N ATOM 1911 CA ILE A 109 -3.919 -6.011 -11.899 1.00 60.42 C ATOM 1912 C ILE A 109 -4.631 -7.355 -11.856 1.00 52.15 C ATOM 1913 O ILE A 109 -4.284 -8.220 -11.051 1.00 62.33 O ATOM 1914 CB ILE A 109 -2.510 -6.186 -12.510 1.00 4.41 C ATOM 1915 CG1 ILE A 109 -1.675 -4.917 -12.302 1.00 44.01 C ATOM 1916 CG2 ILE A 109 -2.611 -6.515 -13.992 1.00 51.21 C ATOM 1917 CD1 ILE A 109 -0.183 -5.146 -12.411 1.00 20.33 C ATOM 0 H ILE A 109 -3.324 -5.946 -9.888 1.00 5.03 H new ATOM 0 HA ILE A 109 -4.488 -5.330 -12.533 1.00 60.42 H new ATOM 0 HB ILE A 109 -2.015 -7.014 -12.003 1.00 4.41 H new ATOM 0 HG12 ILE A 109 -1.974 -4.171 -13.039 1.00 44.01 H new ATOM 0 HG13 ILE A 109 -1.899 -4.502 -11.319 1.00 44.01 H new ATOM 0 HG21 ILE A 109 -1.610 -6.635 -14.407 1.00 51.21 H new ATOM 0 HG22 ILE A 109 -3.171 -7.441 -14.122 1.00 51.21 H new ATOM 0 HG23 ILE A 109 -3.124 -5.705 -14.510 1.00 51.21 H new ATOM 0 HD11 ILE A 109 0.342 -4.204 -12.253 1.00 20.33 H new ATOM 0 HD12 ILE A 109 0.130 -5.868 -11.657 1.00 20.33 H new ATOM 0 HD13 ILE A 109 0.054 -5.531 -13.403 1.00 20.33 H new ATOM 1929 N GLY A 110 -5.630 -7.525 -12.725 1.00 40.35 N ATOM 1930 CA GLY A 110 -6.375 -8.770 -12.762 1.00 2.25 C ATOM 1931 C GLY A 110 -7.074 -9.057 -11.455 1.00 53.53 C ATOM 1932 O GLY A 110 -8.063 -8.407 -11.112 1.00 42.33 O ATOM 0 H GLY A 110 -5.933 -6.823 -13.400 1.00 40.35 H new ATOM 0 HA2 GLY A 110 -7.112 -8.726 -13.564 1.00 2.25 H new ATOM 0 HA3 GLY A 110 -5.697 -9.590 -12.997 1.00 2.25 H new ATOM 1936 N ASP A 111 -6.548 -10.033 -10.733 1.00 13.12 N ATOM 1937 CA ASP A 111 -7.100 -10.435 -9.445 1.00 4.21 C ATOM 1938 C ASP A 111 -6.020 -10.449 -8.351 1.00 14.11 C ATOM 1939 O ASP A 111 -6.157 -11.142 -7.341 1.00 4.43 O ATOM 1940 CB ASP A 111 -7.752 -11.813 -9.582 1.00 3.13 C ATOM 1941 CG ASP A 111 -8.898 -12.021 -8.609 1.00 20.42 C ATOM 1942 OD1 ASP A 111 -10.049 -11.688 -8.963 1.00 22.43 O ATOM 1943 OD2 ASP A 111 -8.646 -12.515 -7.491 1.00 54.32 O ATOM 0 H ASP A 111 -5.729 -10.569 -11.020 1.00 13.12 H new ATOM 0 HA ASP A 111 -7.853 -9.707 -9.145 1.00 4.21 H new ATOM 0 HB2 ASP A 111 -8.120 -11.936 -10.601 1.00 3.13 H new ATOM 0 HB3 ASP A 111 -6.999 -12.584 -9.419 1.00 3.13 H new ATOM 1948 N GLU A 112 -4.945 -9.678 -8.559 1.00 11.22 N ATOM 1949 CA GLU A 112 -3.848 -9.604 -7.594 1.00 2.02 C ATOM 1950 C GLU A 112 -3.425 -8.154 -7.356 1.00 34.30 C ATOM 1951 O GLU A 112 -3.384 -7.348 -8.288 1.00 53.14 O ATOM 1952 CB GLU A 112 -2.650 -10.419 -8.090 1.00 62.51 C ATOM 1953 CG GLU A 112 -2.830 -11.923 -7.934 1.00 21.30 C ATOM 1954 CD GLU A 112 -1.560 -12.633 -7.489 1.00 44.23 C ATOM 1955 OE1 GLU A 112 -0.872 -12.119 -6.581 1.00 34.22 O ATOM 1956 OE2 GLU A 112 -1.256 -13.708 -8.048 1.00 53.22 O ATOM 0 H GLU A 112 -4.814 -9.098 -9.388 1.00 11.22 H new ATOM 0 HA GLU A 112 -4.200 -10.021 -6.650 1.00 2.02 H new ATOM 0 HB2 GLU A 112 -2.475 -10.189 -9.141 1.00 62.51 H new ATOM 0 HB3 GLU A 112 -1.759 -10.109 -7.544 1.00 62.51 H new ATOM 0 HG2 GLU A 112 -3.620 -12.115 -7.208 1.00 21.30 H new ATOM 0 HG3 GLU A 112 -3.161 -12.344 -8.884 1.00 21.30 H new ATOM 1963 N LEU A 113 -3.107 -7.829 -6.102 1.00 43.42 N ATOM 1964 CA LEU A 113 -2.683 -6.475 -5.742 1.00 5.40 C ATOM 1965 C LEU A 113 -1.210 -6.264 -6.048 1.00 43.01 C ATOM 1966 O LEU A 113 -0.400 -7.186 -5.924 1.00 2.14 O ATOM 1967 CB LEU A 113 -2.935 -6.212 -4.254 1.00 4.00 C ATOM 1968 CG LEU A 113 -2.624 -4.788 -3.779 1.00 4.02 C ATOM 1969 CD1 LEU A 113 -3.598 -3.789 -4.386 1.00 0.24 C ATOM 1970 CD2 LEU A 113 -2.659 -4.717 -2.260 1.00 24.50 C ATOM 0 H LEU A 113 -3.135 -8.483 -5.320 1.00 43.42 H new ATOM 0 HA LEU A 113 -3.269 -5.776 -6.338 1.00 5.40 H new ATOM 0 HB2 LEU A 113 -3.980 -6.430 -4.035 1.00 4.00 H new ATOM 0 HB3 LEU A 113 -2.335 -6.911 -3.672 1.00 4.00 H new ATOM 0 HG LEU A 113 -1.621 -4.527 -4.115 1.00 4.02 H new ATOM 0 HD11 LEU A 113 -3.357 -2.786 -4.034 1.00 0.24 H new ATOM 0 HD12 LEU A 113 -3.521 -3.820 -5.473 1.00 0.24 H new ATOM 0 HD13 LEU A 113 -4.615 -4.044 -4.087 1.00 0.24 H new ATOM 0 HD21 LEU A 113 -2.436 -3.700 -1.938 1.00 24.50 H new ATOM 0 HD22 LEU A 113 -3.650 -5.001 -1.905 1.00 24.50 H new ATOM 0 HD23 LEU A 113 -1.916 -5.399 -1.847 1.00 24.50 H new ATOM 1982 N VAL A 114 -0.869 -5.043 -6.454 1.00 1.13 N ATOM 1983 CA VAL A 114 0.497 -4.715 -6.783 1.00 14.23 C ATOM 1984 C VAL A 114 0.930 -3.365 -6.223 1.00 13.24 C ATOM 1985 O VAL A 114 0.168 -2.398 -6.210 1.00 62.34 O ATOM 1986 CB VAL A 114 0.710 -4.683 -8.294 1.00 53.42 C ATOM 1987 CG1 VAL A 114 0.770 -6.089 -8.870 1.00 5.02 C ATOM 1988 CG2 VAL A 114 -0.350 -3.856 -8.983 1.00 54.41 C ATOM 0 H VAL A 114 -1.527 -4.271 -6.560 1.00 1.13 H new ATOM 0 HA VAL A 114 1.101 -5.499 -6.327 1.00 14.23 H new ATOM 0 HB VAL A 114 1.672 -4.205 -8.480 1.00 53.42 H new ATOM 0 HG11 VAL A 114 0.922 -6.034 -9.948 1.00 5.02 H new ATOM 0 HG12 VAL A 114 1.596 -6.634 -8.414 1.00 5.02 H new ATOM 0 HG13 VAL A 114 -0.166 -6.608 -8.662 1.00 5.02 H new ATOM 0 HG21 VAL A 114 -0.169 -3.854 -10.058 1.00 54.41 H new ATOM 0 HG22 VAL A 114 -1.333 -4.283 -8.782 1.00 54.41 H new ATOM 0 HG23 VAL A 114 -0.315 -2.833 -8.607 1.00 54.41 H new ATOM 1998 N GLN A 115 2.180 -3.314 -5.791 1.00 11.00 N ATOM 1999 CA GLN A 115 2.778 -2.095 -5.253 1.00 51.34 C ATOM 2000 C GLN A 115 4.221 -1.960 -5.742 1.00 4.24 C ATOM 2001 O GLN A 115 5.101 -2.714 -5.318 1.00 1.45 O ATOM 2002 CB GLN A 115 2.730 -2.102 -3.725 1.00 41.14 C ATOM 2003 CG GLN A 115 2.380 -0.751 -3.124 1.00 43.52 C ATOM 2004 CD GLN A 115 1.566 -0.873 -1.850 1.00 11.10 C ATOM 2005 OE1 GLN A 115 1.937 -0.326 -0.812 1.00 2.40 O ATOM 2006 NE2 GLN A 115 0.445 -1.585 -1.921 1.00 40.24 N ATOM 0 H GLN A 115 2.812 -4.115 -5.802 1.00 11.00 H new ATOM 0 HA GLN A 115 2.205 -1.239 -5.608 1.00 51.34 H new ATOM 0 HB2 GLN A 115 1.997 -2.838 -3.396 1.00 41.14 H new ATOM 0 HB3 GLN A 115 3.698 -2.422 -3.340 1.00 41.14 H new ATOM 0 HG2 GLN A 115 3.298 -0.202 -2.913 1.00 43.52 H new ATOM 0 HG3 GLN A 115 1.820 -0.167 -3.854 1.00 43.52 H new ATOM 0 HE21 GLN A 115 0.174 -2.022 -2.802 1.00 40.24 H new ATOM 0 HE22 GLN A 115 -0.143 -1.694 -1.095 1.00 40.24 H new ATOM 2015 N THR A 116 4.456 -1.008 -6.645 1.00 62.11 N ATOM 2016 CA THR A 116 5.791 -0.789 -7.198 1.00 35.22 C ATOM 2017 C THR A 116 6.539 0.297 -6.430 1.00 51.32 C ATOM 2018 O THR A 116 5.974 1.344 -6.113 1.00 61.55 O ATOM 2019 CB THR A 116 5.702 -0.395 -8.678 1.00 32.14 C ATOM 2020 OG1 THR A 116 5.177 -1.460 -9.458 1.00 12.40 O ATOM 2021 CG2 THR A 116 7.039 0.006 -9.276 1.00 14.34 C ATOM 0 H THR A 116 3.741 -0.378 -7.008 1.00 62.11 H new ATOM 0 HA THR A 116 6.341 -1.725 -7.103 1.00 35.22 H new ATOM 0 HB THR A 116 5.039 0.470 -8.703 1.00 32.14 H new ATOM 0 HG1 THR A 116 5.128 -1.184 -10.397 1.00 12.40 H new ATOM 0 HG21 THR A 116 6.904 0.272 -10.324 1.00 14.34 H new ATOM 0 HG22 THR A 116 7.438 0.862 -8.733 1.00 14.34 H new ATOM 0 HG23 THR A 116 7.736 -0.829 -9.201 1.00 14.34 H new ATOM 2029 N TYR A 117 7.820 0.047 -6.163 1.00 33.44 N ATOM 2030 CA TYR A 117 8.669 1.007 -5.465 1.00 20.44 C ATOM 2031 C TYR A 117 9.923 1.277 -6.280 1.00 14.33 C ATOM 2032 O TYR A 117 10.532 0.355 -6.829 1.00 51.24 O ATOM 2033 CB TYR A 117 9.078 0.512 -4.078 1.00 72.24 C ATOM 2034 CG TYR A 117 7.922 0.189 -3.159 1.00 71.41 C ATOM 2035 CD1 TYR A 117 7.126 -0.930 -3.369 1.00 32.30 C ATOM 2036 CD2 TYR A 117 7.632 1.007 -2.075 1.00 54.33 C ATOM 2037 CE1 TYR A 117 6.072 -1.223 -2.526 1.00 32.12 C ATOM 2038 CE2 TYR A 117 6.581 0.720 -1.227 1.00 31.21 C ATOM 2039 CZ TYR A 117 5.805 -0.395 -1.456 1.00 23.30 C ATOM 2040 OH TYR A 117 4.758 -0.684 -0.612 1.00 42.41 O ATOM 0 H TYR A 117 8.294 -0.818 -6.422 1.00 33.44 H new ATOM 0 HA TYR A 117 8.088 1.921 -5.343 1.00 20.44 H new ATOM 0 HB2 TYR A 117 9.694 -0.380 -4.192 1.00 72.24 H new ATOM 0 HB3 TYR A 117 9.700 1.271 -3.605 1.00 72.24 H new ATOM 0 HD1 TYR A 117 7.335 -1.581 -4.205 1.00 32.30 H new ATOM 0 HD2 TYR A 117 8.238 1.882 -1.892 1.00 54.33 H new ATOM 0 HE1 TYR A 117 5.461 -2.095 -2.704 1.00 32.12 H new ATOM 0 HE2 TYR A 117 6.368 1.366 -0.388 1.00 31.21 H new ATOM 0 HH TYR A 117 3.935 -0.285 -0.963 1.00 42.41 H new ATOM 2050 N VAL A 118 10.294 2.545 -6.357 1.00 74.42 N ATOM 2051 CA VAL A 118 11.479 2.953 -7.113 1.00 62.15 C ATOM 2052 C VAL A 118 12.537 3.596 -6.211 1.00 44.02 C ATOM 2053 O VAL A 118 12.280 4.622 -5.575 1.00 20.14 O ATOM 2054 CB VAL A 118 11.125 3.933 -8.251 1.00 22.43 C ATOM 2055 CG1 VAL A 118 12.183 3.879 -9.343 1.00 53.11 C ATOM 2056 CG2 VAL A 118 9.749 3.625 -8.826 1.00 42.23 C ATOM 0 H VAL A 118 9.795 3.313 -5.907 1.00 74.42 H new ATOM 0 HA VAL A 118 11.889 2.040 -7.546 1.00 62.15 H new ATOM 0 HB VAL A 118 11.100 4.941 -7.838 1.00 22.43 H new ATOM 0 HG11 VAL A 118 11.920 4.575 -10.139 1.00 53.11 H new ATOM 0 HG12 VAL A 118 13.151 4.154 -8.925 1.00 53.11 H new ATOM 0 HG13 VAL A 118 12.237 2.868 -9.748 1.00 53.11 H new ATOM 0 HG21 VAL A 118 9.523 4.330 -9.626 1.00 42.23 H new ATOM 0 HG22 VAL A 118 9.739 2.610 -9.223 1.00 42.23 H new ATOM 0 HG23 VAL A 118 8.998 3.715 -8.041 1.00 42.23 H new ATOM 2066 N TYR A 119 13.729 2.986 -6.171 1.00 3.24 N ATOM 2067 CA TYR A 119 14.840 3.492 -5.359 1.00 63.11 C ATOM 2068 C TYR A 119 16.106 3.647 -6.205 1.00 63.42 C ATOM 2069 O TYR A 119 16.789 2.665 -6.502 1.00 21.25 O ATOM 2070 CB TYR A 119 15.112 2.548 -4.176 1.00 44.42 C ATOM 2071 CG TYR A 119 16.123 3.074 -3.169 1.00 55.04 C ATOM 2072 CD1 TYR A 119 15.915 4.280 -2.500 1.00 42.53 C ATOM 2073 CD2 TYR A 119 17.284 2.357 -2.881 1.00 12.04 C ATOM 2074 CE1 TYR A 119 16.833 4.756 -1.577 1.00 25.40 C ATOM 2075 CE2 TYR A 119 18.204 2.822 -1.963 1.00 63.42 C ATOM 2076 CZ TYR A 119 17.975 4.022 -1.312 1.00 34.43 C ATOM 2077 OH TYR A 119 18.888 4.490 -0.394 1.00 61.11 O ATOM 0 H TYR A 119 13.948 2.138 -6.694 1.00 3.24 H new ATOM 0 HA TYR A 119 14.559 4.472 -4.974 1.00 63.11 H new ATOM 0 HB2 TYR A 119 14.172 2.353 -3.660 1.00 44.42 H new ATOM 0 HB3 TYR A 119 15.467 1.593 -4.564 1.00 44.42 H new ATOM 0 HD1 TYR A 119 15.023 4.853 -2.705 1.00 42.53 H new ATOM 0 HD2 TYR A 119 17.467 1.420 -3.386 1.00 12.04 H new ATOM 0 HE1 TYR A 119 16.658 5.693 -1.069 1.00 25.40 H new ATOM 0 HE2 TYR A 119 19.098 2.253 -1.754 1.00 63.42 H new ATOM 0 HH TYR A 119 19.008 3.825 0.316 1.00 61.11 H new ATOM 2087 N GLU A 120 16.414 4.893 -6.575 1.00 75.32 N ATOM 2088 CA GLU A 120 17.604 5.212 -7.372 1.00 60.12 C ATOM 2089 C GLU A 120 17.642 4.435 -8.693 1.00 55.22 C ATOM 2090 O GLU A 120 18.615 3.732 -8.987 1.00 34.55 O ATOM 2091 CB GLU A 120 18.875 4.945 -6.556 1.00 12.03 C ATOM 2092 CG GLU A 120 18.834 5.522 -5.147 1.00 34.31 C ATOM 2093 CD GLU A 120 18.374 6.968 -5.117 1.00 12.43 C ATOM 2094 OE1 GLU A 120 19.234 7.866 -5.221 1.00 65.54 O ATOM 2095 OE2 GLU A 120 17.153 7.201 -4.986 1.00 2.14 O ATOM 0 H GLU A 120 15.849 5.707 -6.332 1.00 75.32 H new ATOM 0 HA GLU A 120 17.554 6.271 -7.624 1.00 60.12 H new ATOM 0 HB2 GLU A 120 19.036 3.869 -6.493 1.00 12.03 H new ATOM 0 HB3 GLU A 120 19.730 5.365 -7.086 1.00 12.03 H new ATOM 0 HG2 GLU A 120 18.165 4.920 -4.532 1.00 34.31 H new ATOM 0 HG3 GLU A 120 19.826 5.452 -4.701 1.00 34.31 H new ATOM 2102 N GLY A 121 16.581 4.575 -9.490 1.00 2.31 N ATOM 2103 CA GLY A 121 16.510 3.895 -10.776 1.00 60.42 C ATOM 2104 C GLY A 121 15.918 2.497 -10.688 1.00 63.33 C ATOM 2105 O GLY A 121 15.316 2.016 -11.649 1.00 25.31 O ATOM 0 H GLY A 121 15.768 5.149 -9.267 1.00 2.31 H new ATOM 0 HA2 GLY A 121 15.910 4.493 -11.462 1.00 60.42 H new ATOM 0 HA3 GLY A 121 17.512 3.831 -11.201 1.00 60.42 H new ATOM 2109 N VAL A 122 16.094 1.840 -9.542 1.00 64.25 N ATOM 2110 CA VAL A 122 15.579 0.492 -9.344 1.00 73.12 C ATOM 2111 C VAL A 122 14.074 0.506 -9.097 1.00 72.41 C ATOM 2112 O VAL A 122 13.612 0.913 -8.029 1.00 60.51 O ATOM 2113 CB VAL A 122 16.290 -0.202 -8.165 1.00 72.45 C ATOM 2114 CG1 VAL A 122 15.488 -1.391 -7.648 1.00 42.44 C ATOM 2115 CG2 VAL A 122 17.689 -0.634 -8.575 1.00 52.32 C ATOM 0 H VAL A 122 16.591 2.223 -8.737 1.00 64.25 H new ATOM 0 HA VAL A 122 15.778 -0.068 -10.258 1.00 73.12 H new ATOM 0 HB VAL A 122 16.369 0.518 -7.350 1.00 72.45 H new ATOM 0 HG11 VAL A 122 16.020 -1.855 -6.818 1.00 42.44 H new ATOM 0 HG12 VAL A 122 14.510 -1.050 -7.307 1.00 42.44 H new ATOM 0 HG13 VAL A 122 15.360 -2.119 -8.449 1.00 42.44 H new ATOM 0 HG21 VAL A 122 18.180 -1.123 -7.734 1.00 52.32 H new ATOM 0 HG22 VAL A 122 17.624 -1.330 -9.411 1.00 52.32 H new ATOM 0 HG23 VAL A 122 18.267 0.240 -8.874 1.00 52.32 H new ATOM 2125 N GLU A 123 13.321 0.044 -10.090 1.00 34.40 N ATOM 2126 CA GLU A 123 11.868 -0.020 -9.991 1.00 3.04 C ATOM 2127 C GLU A 123 11.416 -1.468 -9.819 1.00 64.34 C ATOM 2128 O GLU A 123 11.288 -2.214 -10.791 1.00 64.33 O ATOM 2129 CB GLU A 123 11.216 0.600 -11.229 1.00 24.20 C ATOM 2130 CG GLU A 123 9.737 0.903 -11.050 1.00 63.23 C ATOM 2131 CD GLU A 123 8.859 0.145 -12.027 1.00 73.42 C ATOM 2132 OE1 GLU A 123 8.687 -1.079 -11.847 1.00 12.54 O ATOM 2133 OE2 GLU A 123 8.343 0.777 -12.972 1.00 33.14 O ATOM 0 H GLU A 123 13.696 -0.293 -10.977 1.00 34.40 H new ATOM 0 HA GLU A 123 11.554 0.551 -9.117 1.00 3.04 H new ATOM 0 HB2 GLU A 123 11.739 1.522 -11.482 1.00 24.20 H new ATOM 0 HB3 GLU A 123 11.340 -0.078 -12.073 1.00 24.20 H new ATOM 0 HG2 GLU A 123 9.440 0.652 -10.032 1.00 63.23 H new ATOM 0 HG3 GLU A 123 9.572 1.973 -11.175 1.00 63.23 H new ATOM 2140 N ALA A 124 11.186 -1.855 -8.567 1.00 44.34 N ATOM 2141 CA ALA A 124 10.754 -3.210 -8.239 1.00 12.21 C ATOM 2142 C ALA A 124 9.342 -3.205 -7.665 1.00 3.45 C ATOM 2143 O ALA A 124 8.830 -2.157 -7.268 1.00 11.22 O ATOM 2144 CB ALA A 124 11.727 -3.836 -7.252 1.00 24.12 C ATOM 0 H ALA A 124 11.293 -1.244 -7.758 1.00 44.34 H new ATOM 0 HA ALA A 124 10.743 -3.804 -9.153 1.00 12.21 H new ATOM 0 HB1 ALA A 124 11.400 -4.847 -7.010 1.00 24.12 H new ATOM 0 HB2 ALA A 124 12.722 -3.873 -7.695 1.00 24.12 H new ATOM 0 HB3 ALA A 124 11.757 -3.237 -6.342 1.00 24.12 H new ATOM 2150 N LYS A 125 8.712 -4.378 -7.623 1.00 23.22 N ATOM 2151 CA LYS A 125 7.352 -4.491 -7.096 1.00 45.24 C ATOM 2152 C LYS A 125 7.097 -5.858 -6.468 1.00 34.12 C ATOM 2153 O LYS A 125 7.791 -6.835 -6.758 1.00 3.13 O ATOM 2154 CB LYS A 125 6.307 -4.237 -8.196 1.00 74.41 C ATOM 2155 CG LYS A 125 6.852 -4.266 -9.617 1.00 13.30 C ATOM 2156 CD LYS A 125 7.369 -5.646 -9.995 1.00 4.11 C ATOM 2157 CE LYS A 125 6.472 -6.320 -11.023 1.00 12.33 C ATOM 2158 NZ LYS A 125 6.943 -6.090 -12.419 1.00 1.01 N ATOM 0 H LYS A 125 9.117 -5.257 -7.945 1.00 23.22 H new ATOM 0 HA LYS A 125 7.255 -3.729 -6.322 1.00 45.24 H new ATOM 0 HB2 LYS A 125 5.520 -4.986 -8.109 1.00 74.41 H new ATOM 0 HB3 LYS A 125 5.844 -3.266 -8.020 1.00 74.41 H new ATOM 0 HG2 LYS A 125 6.068 -3.968 -10.313 1.00 13.30 H new ATOM 0 HG3 LYS A 125 7.657 -3.537 -9.713 1.00 13.30 H new ATOM 0 HD2 LYS A 125 8.379 -5.559 -10.395 1.00 4.11 H new ATOM 0 HD3 LYS A 125 7.431 -6.268 -9.102 1.00 4.11 H new ATOM 0 HE2 LYS A 125 6.437 -7.391 -10.825 1.00 12.33 H new ATOM 0 HE3 LYS A 125 5.455 -5.943 -10.918 1.00 12.33 H new ATOM 0 HZ1 LYS A 125 6.208 -5.585 -12.955 1.00 1.01 H new ATOM 0 HZ2 LYS A 125 7.813 -5.520 -12.402 1.00 1.01 H new ATOM 0 HZ3 LYS A 125 7.137 -7.004 -12.875 1.00 1.01 H new ATOM 2172 N ARG A 126 6.071 -5.914 -5.621 1.00 62.24 N ATOM 2173 CA ARG A 126 5.671 -7.148 -4.956 1.00 12.32 C ATOM 2174 C ARG A 126 4.214 -7.450 -5.288 1.00 62.22 C ATOM 2175 O ARG A 126 3.336 -6.601 -5.099 1.00 33.43 O ATOM 2176 CB ARG A 126 5.863 -7.035 -3.441 1.00 44.04 C ATOM 2177 CG ARG A 126 6.817 -8.076 -2.872 1.00 2.12 C ATOM 2178 CD ARG A 126 6.850 -8.032 -1.351 1.00 11.30 C ATOM 2179 NE ARG A 126 7.951 -8.823 -0.795 1.00 11.52 N ATOM 2180 CZ ARG A 126 8.410 -8.692 0.456 1.00 5.52 C ATOM 2181 NH1 ARG A 126 7.870 -7.802 1.286 1.00 3.04 N ATOM 2182 NH2 ARG A 126 9.414 -9.455 0.880 1.00 62.22 N ATOM 0 H ARG A 126 5.497 -5.107 -5.378 1.00 62.24 H new ATOM 0 HA ARG A 126 6.299 -7.964 -5.312 1.00 12.32 H new ATOM 0 HB2 ARG A 126 6.239 -6.040 -3.203 1.00 44.04 H new ATOM 0 HB3 ARG A 126 4.894 -7.135 -2.951 1.00 44.04 H new ATOM 0 HG2 ARG A 126 6.512 -9.069 -3.202 1.00 2.12 H new ATOM 0 HG3 ARG A 126 7.820 -7.904 -3.264 1.00 2.12 H new ATOM 0 HD2 ARG A 126 6.947 -6.997 -1.022 1.00 11.30 H new ATOM 0 HD3 ARG A 126 5.904 -8.404 -0.958 1.00 11.30 H new ATOM 0 HE ARG A 126 8.395 -9.516 -1.398 1.00 11.52 H new ATOM 0 HH11 ARG A 126 7.100 -7.212 0.971 1.00 3.04 H new ATOM 0 HH12 ARG A 126 8.227 -7.710 2.237 1.00 3.04 H new ATOM 0 HH21 ARG A 126 9.834 -10.140 0.252 1.00 62.22 H new ATOM 0 HH22 ARG A 126 9.763 -9.355 1.833 1.00 62.22 H new ATOM 2196 N ILE A 127 3.966 -8.654 -5.795 1.00 60.44 N ATOM 2197 CA ILE A 127 2.619 -9.068 -6.166 1.00 55.24 C ATOM 2198 C ILE A 127 2.004 -9.920 -5.062 1.00 34.20 C ATOM 2199 O ILE A 127 2.352 -11.092 -4.897 1.00 73.23 O ATOM 2200 CB ILE A 127 2.620 -9.851 -7.497 1.00 21.42 C ATOM 2201 CG1 ILE A 127 3.268 -9.017 -8.608 1.00 53.42 C ATOM 2202 CG2 ILE A 127 1.206 -10.253 -7.888 1.00 53.35 C ATOM 2203 CD1 ILE A 127 4.298 -9.780 -9.412 1.00 20.21 C ATOM 0 H ILE A 127 4.683 -9.361 -5.958 1.00 60.44 H new ATOM 0 HA ILE A 127 2.019 -8.168 -6.301 1.00 55.24 H new ATOM 0 HB ILE A 127 3.206 -10.760 -7.359 1.00 21.42 H new ATOM 0 HG12 ILE A 127 2.490 -8.654 -9.280 1.00 53.42 H new ATOM 0 HG13 ILE A 127 3.741 -8.141 -8.165 1.00 53.42 H new ATOM 0 HG21 ILE A 127 1.231 -10.803 -8.829 1.00 53.35 H new ATOM 0 HG22 ILE A 127 0.779 -10.885 -7.109 1.00 53.35 H new ATOM 0 HG23 ILE A 127 0.593 -9.359 -8.007 1.00 53.35 H new ATOM 0 HD11 ILE A 127 4.715 -9.129 -10.180 1.00 20.21 H new ATOM 0 HD12 ILE A 127 5.096 -10.120 -8.752 1.00 20.21 H new ATOM 0 HD13 ILE A 127 3.826 -10.642 -9.884 1.00 20.21 H new ATOM 2215 N PHE A 128 1.100 -9.314 -4.296 1.00 4.04 N ATOM 2216 CA PHE A 128 0.446 -10.007 -3.193 1.00 24.12 C ATOM 2217 C PHE A 128 -0.883 -10.612 -3.626 1.00 12.40 C ATOM 2218 O PHE A 128 -1.748 -9.917 -4.166 1.00 74.43 O ATOM 2219 CB PHE A 128 0.193 -9.050 -2.019 1.00 12.01 C ATOM 2220 CG PHE A 128 1.366 -8.180 -1.665 1.00 34.22 C ATOM 2221 CD1 PHE A 128 1.537 -6.948 -2.274 1.00 54.02 C ATOM 2222 CD2 PHE A 128 2.293 -8.594 -0.722 1.00 33.20 C ATOM 2223 CE1 PHE A 128 2.613 -6.144 -1.950 1.00 45.01 C ATOM 2224 CE2 PHE A 128 3.370 -7.794 -0.394 1.00 64.21 C ATOM 2225 CZ PHE A 128 3.531 -6.568 -1.009 1.00 14.11 C ATOM 0 H PHE A 128 0.805 -8.345 -4.420 1.00 4.04 H new ATOM 0 HA PHE A 128 1.117 -10.806 -2.878 1.00 24.12 H new ATOM 0 HB2 PHE A 128 -0.657 -8.412 -2.262 1.00 12.01 H new ATOM 0 HB3 PHE A 128 -0.088 -9.635 -1.143 1.00 12.01 H new ATOM 0 HD1 PHE A 128 0.822 -6.612 -3.010 1.00 54.02 H new ATOM 0 HD2 PHE A 128 2.172 -9.552 -0.239 1.00 33.20 H new ATOM 0 HE1 PHE A 128 2.736 -5.185 -2.432 1.00 45.01 H new ATOM 0 HE2 PHE A 128 4.086 -8.127 0.343 1.00 64.21 H new ATOM 0 HZ PHE A 128 4.373 -5.942 -0.755 1.00 14.11 H new ATOM 2235 N LYS A 129 -1.053 -11.900 -3.350 1.00 52.01 N ATOM 2236 CA LYS A 129 -2.296 -12.593 -3.672 1.00 61.23 C ATOM 2237 C LYS A 129 -3.055 -12.878 -2.392 1.00 52.55 C ATOM 2238 O LYS A 129 -2.452 -13.094 -1.340 1.00 32.11 O ATOM 2239 CB LYS A 129 -2.033 -13.902 -4.412 1.00 5.34 C ATOM 2240 CG LYS A 129 -3.226 -14.427 -5.198 1.00 21.43 C ATOM 2241 CD LYS A 129 -4.100 -15.357 -4.365 1.00 54.41 C ATOM 2242 CE LYS A 129 -3.299 -16.479 -3.712 1.00 61.32 C ATOM 2243 NZ LYS A 129 -2.566 -17.307 -4.713 1.00 60.31 N ATOM 0 H LYS A 129 -0.347 -12.486 -2.904 1.00 52.01 H new ATOM 0 HA LYS A 129 -2.885 -11.950 -4.326 1.00 61.23 H new ATOM 0 HB2 LYS A 129 -1.197 -13.757 -5.096 1.00 5.34 H new ATOM 0 HB3 LYS A 129 -1.727 -14.659 -3.690 1.00 5.34 H new ATOM 0 HG2 LYS A 129 -3.825 -13.587 -5.550 1.00 21.43 H new ATOM 0 HG3 LYS A 129 -2.872 -14.958 -6.081 1.00 21.43 H new ATOM 0 HD2 LYS A 129 -4.607 -14.779 -3.592 1.00 54.41 H new ATOM 0 HD3 LYS A 129 -4.874 -15.789 -5.000 1.00 54.41 H new ATOM 0 HE2 LYS A 129 -2.587 -16.051 -3.006 1.00 61.32 H new ATOM 0 HE3 LYS A 129 -3.972 -17.117 -3.139 1.00 61.32 H new ATOM 0 HZ1 LYS A 129 -2.745 -18.315 -4.528 1.00 60.31 H new ATOM 0 HZ2 LYS A 129 -2.895 -17.067 -5.670 1.00 60.31 H new ATOM 0 HZ3 LYS A 129 -1.546 -17.117 -4.640 1.00 60.31 H new ATOM 2257 N LYS A 130 -4.376 -12.872 -2.487 1.00 40.21 N ATOM 2258 CA LYS A 130 -5.224 -13.126 -1.322 1.00 43.41 C ATOM 2259 C LYS A 130 -4.715 -14.322 -0.529 1.00 13.11 C ATOM 2260 O LYS A 130 -4.248 -15.309 -1.102 1.00 23.14 O ATOM 2261 CB LYS A 130 -6.675 -13.377 -1.720 1.00 53.25 C ATOM 2262 CG LYS A 130 -7.178 -12.486 -2.843 1.00 51.34 C ATOM 2263 CD LYS A 130 -8.562 -11.937 -2.542 1.00 25.40 C ATOM 2264 CE LYS A 130 -9.133 -11.203 -3.742 1.00 34.45 C ATOM 2265 NZ LYS A 130 -9.905 -9.991 -3.348 1.00 32.53 N ATOM 0 H LYS A 130 -4.886 -12.695 -3.352 1.00 40.21 H new ATOM 0 HA LYS A 130 -5.181 -12.230 -0.703 1.00 43.41 H new ATOM 0 HB2 LYS A 130 -6.781 -14.419 -2.023 1.00 53.25 H new ATOM 0 HB3 LYS A 130 -7.310 -13.233 -0.846 1.00 53.25 H new ATOM 0 HG2 LYS A 130 -6.483 -11.660 -2.992 1.00 51.34 H new ATOM 0 HG3 LYS A 130 -7.205 -13.053 -3.774 1.00 51.34 H new ATOM 0 HD2 LYS A 130 -9.227 -12.754 -2.261 1.00 25.40 H new ATOM 0 HD3 LYS A 130 -8.510 -11.260 -1.689 1.00 25.40 H new ATOM 0 HE2 LYS A 130 -8.320 -10.913 -4.408 1.00 34.45 H new ATOM 0 HE3 LYS A 130 -9.780 -11.877 -4.303 1.00 34.45 H new ATOM 0 HZ1 LYS A 130 -10.756 -9.913 -3.941 1.00 32.53 H new ATOM 0 HZ2 LYS A 130 -10.185 -10.067 -2.349 1.00 32.53 H new ATOM 0 HZ3 LYS A 130 -9.314 -9.145 -3.478 1.00 32.53 H new ATOM 2279 N ASP A 131 -4.816 -14.227 0.786 1.00 33.44 N ATOM 2280 CA ASP A 131 -4.372 -15.301 1.664 1.00 55.01 C ATOM 2281 C ASP A 131 -5.558 -15.995 2.331 1.00 62.41 C ATOM 2282 O ASP A 131 -5.503 -17.231 2.495 1.00 62.41 O ATOM 2283 CB ASP A 131 -3.414 -14.768 2.729 1.00 0.44 C ATOM 2284 CG ASP A 131 -2.608 -15.877 3.381 1.00 25.35 C ATOM 2285 OD1 ASP A 131 -2.027 -16.704 2.644 1.00 15.32 O ATOM 2286 OD2 ASP A 131 -2.558 -15.921 4.627 1.00 75.41 O ATOM 2287 OXT ASP A 131 -6.533 -15.296 2.683 1.00 62.41 O ATOM 0 H ASP A 131 -5.202 -13.417 1.271 1.00 33.44 H new ATOM 0 HA ASP A 131 -3.846 -16.032 1.050 1.00 55.01 H new ATOM 0 HB2 ASP A 131 -2.735 -14.046 2.276 1.00 0.44 H new ATOM 0 HB3 ASP A 131 -3.982 -14.236 3.493 1.00 0.44 H new TER 2292 ASP A 131 HETATM 2293 C1 OLA A 201 2.887 1.725 2.731 1.00 20.00 C HETATM 2294 O1 OLA A 201 2.026 2.164 1.945 1.00 20.00 O HETATM 2295 O2 OLA A 201 2.634 1.402 3.910 1.00 20.00 O HETATM 2296 C2 OLA A 201 4.310 1.583 2.230 1.00 20.00 C HETATM 2297 C3 OLA A 201 5.212 2.715 2.701 1.00 20.00 C HETATM 2298 C4 OLA A 201 6.681 2.323 2.643 1.00 20.00 C HETATM 2299 C5 OLA A 201 6.995 1.180 3.599 1.00 20.00 C HETATM 2300 C6 OLA A 201 7.658 1.679 4.873 1.00 20.00 C HETATM 2301 C7 OLA A 201 9.175 1.605 4.781 1.00 20.00 C HETATM 2302 C8 OLA A 201 9.667 0.164 4.787 1.00 20.00 C HETATM 2303 C9 OLA A 201 10.363 -0.144 6.114 1.00 20.00 C HETATM 2304 C10 OLA A 201 11.300 -1.349 6.226 1.00 20.00 C HETATM 2305 C11 OLA A 201 11.544 -2.249 5.013 1.00 20.00 C HETATM 2306 C12 OLA A 201 12.988 -2.724 5.007 1.00 20.00 C HETATM 2307 C13 OLA A 201 13.221 -3.794 3.950 1.00 20.00 C HETATM 2308 C14 OLA A 201 14.160 -4.881 4.451 1.00 20.00 C HETATM 2309 C15 OLA A 201 13.559 -5.646 5.620 1.00 20.00 C HETATM 2310 C16 OLA A 201 14.297 -5.357 6.918 1.00 20.00 C HETATM 2311 C17 OLA A 201 15.210 -6.508 7.312 1.00 20.00 C HETATM 2312 C18 OLA A 201 15.763 -6.425 8.717 1.00 20.00 C HETATM 0 H183 OLA A 201 16.346 -5.510 8.825 1.00 20.00 H new HETATM 0 H182 OLA A 201 14.940 -6.418 9.432 1.00 20.00 H new HETATM 0 H181 OLA A 201 16.402 -7.287 8.908 1.00 20.00 H new HETATM 0 H172 OLA A 201 14.659 -7.443 7.208 1.00 20.00 H new HETATM 0 H171 OLA A 201 16.043 -6.549 6.610 1.00 20.00 H new HETATM 0 H162 OLA A 201 14.886 -4.446 6.807 1.00 20.00 H new HETATM 0 H161 OLA A 201 13.576 -5.175 7.715 1.00 20.00 H new HETATM 0 H152 OLA A 201 12.509 -5.376 5.730 1.00 20.00 H new HETATM 0 H151 OLA A 201 13.593 -6.715 5.412 1.00 20.00 H new HETATM 0 H142 OLA A 201 14.383 -5.573 3.639 1.00 20.00 H new HETATM 0 H141 OLA A 201 15.106 -4.433 4.756 1.00 20.00 H new HETATM 0 H132 OLA A 201 12.267 -4.239 3.665 1.00 20.00 H new HETATM 0 H131 OLA A 201 13.639 -3.336 3.054 1.00 20.00 H new HETATM 0 H122 OLA A 201 13.649 -1.878 4.821 1.00 20.00 H new HETATM 0 H121 OLA A 201 13.246 -3.120 5.989 1.00 20.00 H new HETATM 0 H112 OLA A 201 10.870 -3.105 5.042 1.00 20.00 H new HETATM 0 H111 OLA A 201 11.327 -1.704 4.094 1.00 20.00 H new HETATM 0 HO2 OLA A 201 3.452 1.083 4.345 1.00 20.00 H new HETATM 0 H9 OLA A 201 10.192 0.495 6.980 1.00 20.00 H new HETATM 0 H82 OLA A 201 8.828 -0.516 4.640 1.00 20.00 H new HETATM 0 H81 OLA A 201 10.357 0.003 3.959 1.00 20.00 H new HETATM 0 H72 OLA A 201 9.509 2.101 3.870 1.00 20.00 H new HETATM 0 H71 OLA A 201 9.618 2.145 5.618 1.00 20.00 H new HETATM 0 H62 OLA A 201 7.354 2.708 5.063 1.00 20.00 H new HETATM 0 H61 OLA A 201 7.315 1.084 5.719 1.00 20.00 H new HETATM 0 H52 OLA A 201 6.075 0.652 3.850 1.00 20.00 H new HETATM 0 H51 OLA A 201 7.650 0.462 3.105 1.00 20.00 H new HETATM 0 H42 OLA A 201 6.940 2.029 1.626 1.00 20.00 H new HETATM 0 H41 OLA A 201 7.298 3.186 2.892 1.00 20.00 H new HETATM 0 H32 OLA A 201 5.045 3.596 2.081 1.00 20.00 H new HETATM 0 H31 OLA A 201 4.948 2.990 3.722 1.00 20.00 H new HETATM 0 H22 OLA A 201 4.718 0.632 2.572 1.00 20.00 H new HETATM 0 H21 OLA A 201 4.307 1.555 1.140 1.00 20.00 H new HETATM 0 H10 OLA A 201 11.795 -1.567 7.173 1.00 20.00 H new