USER MOD reduce.3.24.130724 H: found=0, std=0, add=1277, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1277 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 THR OG1 : rot 74:sc= 0.714 USER MOD Set 1.2: A 38 HIS :FLIP no HD1:sc= 0.65 F(o=-0.25,f=1.4) USER MOD Set 2.1: A 10 SER OG : rot 180:sc= -0.242 USER MOD Set 2.2: A 141 SER OG : rot -18:sc= 0.557 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -4.05 K(o=-4.1,f=-9.5!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 32:sc= 0.563 USER MOD Single : A 39 THR OG1 : rot -22:sc= 1.24 USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= -0.0126 (180deg=-0.13) USER MOD Single : A 45 ASN : amide:sc= -0.0492 X(o=-0.049,f=-0.059) USER MOD Single : A 46 LYS NZ :NH3+ 147:sc= 1.21 (180deg=0.578) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -44:sc= 1.15 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -2.74 X(o=-2.7,f=-2.8!) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00872) USER MOD Single : A 67 SER OG : rot -127:sc= 0.337 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -37:sc= 0.503 USER MOD Single : A 81 TYR OH : rot 30:sc=-0.00976 USER MOD Single : A 91 HIS : no HD1:sc= -0.0956 X(o=-0.096,f=-0.002) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.39 X(o=-1.4,f=-0.9) USER MOD Single : A 104 THR OG1 : rot 145:sc= 0.439 USER MOD Single : A 113 GLN : amide:sc= -0.0866 K(o=-0.087,f=-0.6) USER MOD Single : A 117 LYS NZ :NH3+ -170:sc= -0.0272 (180deg=-0.14) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 TYR OH : rot 180:sc= -0.681 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl 151:sc= -0.639 (180deg=-2.6!) USER MOD Single : A 129 GLN : amide:sc= -0.613 K(o=-0.61,f=-1.8!) USER MOD Single : A 130 LYS NZ :NH3+ 160:sc= -0.0767 (180deg=-0.468) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.0472 F(o=-3.6!,f=-0.047) USER MOD Single : A 135 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.087) USER MOD Single : A 139 GLN : amide:sc= -0.0337 X(o=-0.034,f=-0.48) USER MOD Single : A 144 THR OG1 : rot -43:sc= 0.874 USER MOD Single : A 145 SER OG : rot 180:sc= 0.0857 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HE2:sc= -0.38 K(o=-0.38,f=-2) USER MOD Single : A 152 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 153 HIS : no HD1:sc= -0.231 K(o=-0.23,f=-0.94) USER MOD Single : A 154 HIS : no HE2:sc= 0.223 K(o=0.22,f=-1) USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.815 33.867 -6.469 1.00 33.41 N ATOM 2 CA MET A 1 8.653 32.388 -6.556 1.00 61.15 C ATOM 3 C MET A 1 7.498 32.006 -7.494 1.00 61.34 C ATOM 4 O MET A 1 7.698 31.295 -8.482 1.00 50.53 O ATOM 5 CB MET A 1 8.410 31.807 -5.155 1.00 24.03 C ATOM 6 CG MET A 1 8.275 30.289 -5.122 1.00 54.35 C ATOM 7 SD MET A 1 8.019 29.660 -3.448 1.00 41.14 S ATOM 8 CE MET A 1 7.897 27.897 -3.758 1.00 20.03 C ATOM 0 H1 MET A 1 9.603 34.093 -5.828 1.00 33.41 H new ATOM 0 H2 MET A 1 9.017 34.250 -7.414 1.00 33.41 H new ATOM 0 H3 MET A 1 7.939 34.291 -6.103 1.00 33.41 H new ATOM 0 HA MET A 1 9.571 31.969 -6.968 1.00 61.15 H new ATOM 0 HB2 MET A 1 9.233 32.101 -4.504 1.00 24.03 H new ATOM 0 HB3 MET A 1 7.504 32.250 -4.743 1.00 24.03 H new ATOM 0 HG2 MET A 1 7.439 29.987 -5.753 1.00 54.35 H new ATOM 0 HG3 MET A 1 9.173 29.837 -5.544 1.00 54.35 H new ATOM 0 HE1 MET A 1 7.738 27.372 -2.816 1.00 20.03 H new ATOM 0 HE2 MET A 1 7.060 27.702 -4.428 1.00 20.03 H new ATOM 0 HE3 MET A 1 8.820 27.544 -4.218 1.00 20.03 H new ATOM 20 N GLY A 2 6.294 32.477 -7.179 1.00 21.45 N ATOM 21 CA GLY A 2 5.124 32.173 -7.998 1.00 40.22 C ATOM 22 C GLY A 2 3.808 32.418 -7.266 1.00 33.33 C ATOM 23 O GLY A 2 3.801 32.890 -6.126 1.00 4.42 O ATOM 0 H GLY A 2 6.104 33.066 -6.369 1.00 21.45 H new ATOM 0 HA2 GLY A 2 5.151 32.782 -8.901 1.00 40.22 H new ATOM 0 HA3 GLY A 2 5.169 31.131 -8.315 1.00 40.22 H new ATOM 27 N PHE A 3 2.693 32.096 -7.917 1.00 35.43 N ATOM 28 CA PHE A 3 1.365 32.277 -7.315 1.00 2.52 C ATOM 29 C PHE A 3 1.059 31.161 -6.301 1.00 24.22 C ATOM 30 O PHE A 3 1.091 29.976 -6.636 1.00 5.42 O ATOM 31 CB PHE A 3 0.287 32.316 -8.406 1.00 45.13 C ATOM 32 CG PHE A 3 0.398 33.503 -9.332 1.00 43.45 C ATOM 33 CD1 PHE A 3 1.233 33.464 -10.442 1.00 32.14 C ATOM 34 CD2 PHE A 3 -0.332 34.661 -9.091 1.00 63.01 C ATOM 35 CE1 PHE A 3 1.335 34.552 -11.289 1.00 44.44 C ATOM 36 CE2 PHE A 3 -0.232 35.751 -9.939 1.00 24.13 C ATOM 37 CZ PHE A 3 0.602 35.696 -11.038 1.00 33.44 C ATOM 0 H PHE A 3 2.677 31.709 -8.860 1.00 35.43 H new ATOM 0 HA PHE A 3 1.362 33.228 -6.782 1.00 2.52 H new ATOM 0 HB2 PHE A 3 0.347 31.401 -8.995 1.00 45.13 H new ATOM 0 HB3 PHE A 3 -0.695 32.327 -7.933 1.00 45.13 H new ATOM 0 HD1 PHE A 3 1.809 32.573 -10.645 1.00 32.14 H new ATOM 0 HD2 PHE A 3 -0.985 34.711 -8.232 1.00 63.01 H new ATOM 0 HE1 PHE A 3 1.988 34.508 -12.148 1.00 44.44 H new ATOM 0 HE2 PHE A 3 -0.806 36.644 -9.741 1.00 24.13 H new ATOM 0 HZ PHE A 3 0.681 36.546 -11.700 1.00 33.44 H new ATOM 47 N LYS A 4 0.765 31.545 -5.059 1.00 14.34 N ATOM 48 CA LYS A 4 0.520 30.572 -3.990 1.00 62.32 C ATOM 49 C LYS A 4 -0.923 30.036 -4.007 1.00 0.31 C ATOM 50 O LYS A 4 -1.822 30.612 -3.389 1.00 24.34 O ATOM 51 CB LYS A 4 0.829 31.188 -2.616 1.00 63.22 C ATOM 52 CG LYS A 4 2.283 31.614 -2.444 1.00 73.10 C ATOM 53 CD LYS A 4 2.550 32.134 -1.036 1.00 62.25 C ATOM 54 CE LYS A 4 3.999 32.563 -0.856 1.00 12.14 C ATOM 55 NZ LYS A 4 4.264 33.049 0.523 1.00 71.30 N ATOM 0 H LYS A 4 0.690 32.519 -4.767 1.00 14.34 H new ATOM 0 HA LYS A 4 1.189 29.730 -4.171 1.00 62.32 H new ATOM 0 HB2 LYS A 4 0.186 32.055 -2.464 1.00 63.22 H new ATOM 0 HB3 LYS A 4 0.578 30.465 -1.840 1.00 63.22 H new ATOM 0 HG2 LYS A 4 2.938 30.768 -2.651 1.00 73.10 H new ATOM 0 HG3 LYS A 4 2.525 32.389 -3.171 1.00 73.10 H new ATOM 0 HD2 LYS A 4 1.893 32.979 -0.830 1.00 62.25 H new ATOM 0 HD3 LYS A 4 2.308 31.358 -0.310 1.00 62.25 H new ATOM 0 HE2 LYS A 4 4.657 31.723 -1.078 1.00 12.14 H new ATOM 0 HE3 LYS A 4 4.236 33.351 -1.571 1.00 12.14 H new ATOM 0 HZ1 LYS A 4 5.261 33.332 0.606 1.00 71.30 H new ATOM 0 HZ2 LYS A 4 3.654 33.867 0.726 1.00 71.30 H new ATOM 0 HZ3 LYS A 4 4.062 32.289 1.204 1.00 71.30 H new ATOM 69 N LEU A 5 -1.139 28.946 -4.738 1.00 43.12 N ATOM 70 CA LEU A 5 -2.425 28.232 -4.723 1.00 61.42 C ATOM 71 C LEU A 5 -2.299 26.918 -3.933 1.00 73.31 C ATOM 72 O LEU A 5 -1.242 26.616 -3.373 1.00 23.34 O ATOM 73 CB LEU A 5 -2.912 27.937 -6.159 1.00 54.34 C ATOM 74 CG LEU A 5 -3.425 29.146 -6.970 1.00 10.42 C ATOM 75 CD1 LEU A 5 -4.526 29.885 -6.212 1.00 63.42 C ATOM 76 CD2 LEU A 5 -2.285 30.094 -7.334 1.00 72.44 C ATOM 0 H LEU A 5 -0.439 28.531 -5.354 1.00 43.12 H new ATOM 0 HA LEU A 5 -3.159 28.873 -4.235 1.00 61.42 H new ATOM 0 HB2 LEU A 5 -2.092 27.478 -6.711 1.00 54.34 H new ATOM 0 HB3 LEU A 5 -3.711 27.198 -6.104 1.00 54.34 H new ATOM 0 HG LEU A 5 -3.850 28.765 -7.899 1.00 10.42 H new ATOM 0 HD11 LEU A 5 -4.870 30.732 -6.805 1.00 63.42 H new ATOM 0 HD12 LEU A 5 -5.360 29.207 -6.029 1.00 63.42 H new ATOM 0 HD13 LEU A 5 -4.135 30.243 -5.260 1.00 63.42 H new ATOM 0 HD21 LEU A 5 -2.679 30.935 -7.905 1.00 72.44 H new ATOM 0 HD22 LEU A 5 -1.814 30.463 -6.423 1.00 72.44 H new ATOM 0 HD23 LEU A 5 -1.547 29.562 -7.935 1.00 72.44 H new ATOM 88 N ARG A 6 -3.382 26.141 -3.880 1.00 63.33 N ATOM 89 CA ARG A 6 -3.355 24.839 -3.209 1.00 72.40 C ATOM 90 C ARG A 6 -2.402 23.880 -3.938 1.00 0.22 C ATOM 91 O ARG A 6 -1.438 23.374 -3.350 1.00 61.03 O ATOM 92 CB ARG A 6 -4.765 24.230 -3.145 1.00 13.44 C ATOM 93 CG ARG A 6 -4.861 22.999 -2.244 1.00 73.25 C ATOM 94 CD ARG A 6 -6.251 22.371 -2.268 1.00 71.42 C ATOM 95 NE ARG A 6 -6.557 21.755 -3.559 1.00 23.23 N ATOM 96 CZ ARG A 6 -7.765 21.548 -4.007 1.00 10.02 C ATOM 97 NH1 ARG A 6 -8.795 21.929 -3.324 1.00 32.23 N ATOM 98 NH2 ARG A 6 -7.937 20.960 -5.145 1.00 20.23 N ATOM 0 H ARG A 6 -4.283 26.387 -4.290 1.00 63.33 H new ATOM 0 HA ARG A 6 -2.995 24.990 -2.191 1.00 72.40 H new ATOM 0 HB2 ARG A 6 -5.462 24.987 -2.787 1.00 13.44 H new ATOM 0 HB3 ARG A 6 -5.080 23.958 -4.152 1.00 13.44 H new ATOM 0 HG2 ARG A 6 -4.125 22.260 -2.562 1.00 73.25 H new ATOM 0 HG3 ARG A 6 -4.609 23.279 -1.221 1.00 73.25 H new ATOM 0 HD2 ARG A 6 -6.321 21.619 -1.483 1.00 71.42 H new ATOM 0 HD3 ARG A 6 -6.997 23.134 -2.046 1.00 71.42 H new ATOM 0 HE ARG A 6 -5.775 21.468 -4.148 1.00 23.23 H new ATOM 0 HH11 ARG A 6 -8.667 22.396 -2.426 1.00 32.23 H new ATOM 0 HH12 ARG A 6 -9.735 21.762 -3.683 1.00 32.23 H new ATOM 0 HH21 ARG A 6 -7.130 20.659 -5.691 1.00 20.23 H new ATOM 0 HH22 ARG A 6 -8.880 20.797 -5.497 1.00 20.23 H new ATOM 112 N GLY A 7 -2.672 23.645 -5.226 1.00 75.54 N ATOM 113 CA GLY A 7 -1.821 22.780 -6.042 1.00 40.14 C ATOM 114 C GLY A 7 -2.088 21.292 -5.834 1.00 15.20 C ATOM 115 O GLY A 7 -2.364 20.558 -6.788 1.00 13.03 O ATOM 0 H GLY A 7 -3.470 24.041 -5.722 1.00 75.54 H new ATOM 0 HA2 GLY A 7 -1.970 23.024 -7.094 1.00 40.14 H new ATOM 0 HA3 GLY A 7 -0.776 22.989 -5.811 1.00 40.14 H new ATOM 119 N GLN A 8 -2.005 20.854 -4.585 1.00 50.22 N ATOM 120 CA GLN A 8 -2.189 19.440 -4.229 1.00 3.12 C ATOM 121 C GLN A 8 -3.649 19.120 -3.852 1.00 51.42 C ATOM 122 O GLN A 8 -4.543 19.954 -4.020 1.00 41.40 O ATOM 123 CB GLN A 8 -1.217 19.050 -3.089 1.00 31.44 C ATOM 124 CG GLN A 8 -0.815 20.194 -2.145 1.00 5.05 C ATOM 125 CD GLN A 8 -1.920 20.656 -1.200 1.00 44.30 C ATOM 126 OE1 GLN A 8 -3.099 20.571 -1.499 1.00 4.53 O ATOM 127 NE2 GLN A 8 -1.538 21.165 -0.046 1.00 43.33 N ATOM 0 H GLN A 8 -1.809 21.460 -3.788 1.00 50.22 H new ATOM 0 HA GLN A 8 -1.958 18.841 -5.110 1.00 3.12 H new ATOM 0 HB2 GLN A 8 -1.677 18.258 -2.498 1.00 31.44 H new ATOM 0 HB3 GLN A 8 -0.313 18.633 -3.532 1.00 31.44 H new ATOM 0 HG2 GLN A 8 0.042 19.874 -1.552 1.00 5.05 H new ATOM 0 HG3 GLN A 8 -0.488 21.044 -2.744 1.00 5.05 H new ATOM 0 HE21 GLN A 8 -0.545 21.225 0.181 1.00 43.33 H new ATOM 0 HE22 GLN A 8 -2.235 21.499 0.620 1.00 43.33 H new ATOM 136 N VAL A 9 -3.887 17.897 -3.370 1.00 62.43 N ATOM 137 CA VAL A 9 -5.236 17.467 -2.970 1.00 65.43 C ATOM 138 C VAL A 9 -5.450 17.585 -1.447 1.00 75.25 C ATOM 139 O VAL A 9 -6.580 17.757 -0.978 1.00 64.20 O ATOM 140 CB VAL A 9 -5.514 16.005 -3.418 1.00 4.24 C ATOM 141 CG1 VAL A 9 -4.566 15.030 -2.718 1.00 42.13 C ATOM 142 CG2 VAL A 9 -6.975 15.620 -3.173 1.00 0.44 C ATOM 0 H VAL A 9 -3.166 17.186 -3.246 1.00 62.43 H new ATOM 0 HA VAL A 9 -5.937 18.136 -3.470 1.00 65.43 H new ATOM 0 HB VAL A 9 -5.330 15.944 -4.491 1.00 4.24 H new ATOM 0 HG11 VAL A 9 -4.781 14.014 -3.048 1.00 42.13 H new ATOM 0 HG12 VAL A 9 -3.535 15.283 -2.967 1.00 42.13 H new ATOM 0 HG13 VAL A 9 -4.706 15.098 -1.639 1.00 42.13 H new ATOM 0 HG21 VAL A 9 -7.139 14.592 -3.496 1.00 0.44 H new ATOM 0 HG22 VAL A 9 -7.201 15.707 -2.110 1.00 0.44 H new ATOM 0 HG23 VAL A 9 -7.627 16.287 -3.738 1.00 0.44 H new ATOM 152 N SER A 10 -4.366 17.491 -0.677 1.00 51.14 N ATOM 153 CA SER A 10 -4.444 17.572 0.792 1.00 23.10 C ATOM 154 C SER A 10 -3.151 18.135 1.395 1.00 54.04 C ATOM 155 O SER A 10 -2.145 18.299 0.704 1.00 12.43 O ATOM 156 CB SER A 10 -4.733 16.189 1.392 1.00 71.35 C ATOM 157 OG SER A 10 -4.827 16.248 2.809 1.00 50.32 O ATOM 0 H SER A 10 -3.422 17.359 -1.040 1.00 51.14 H new ATOM 0 HA SER A 10 -5.260 18.251 1.038 1.00 23.10 H new ATOM 0 HB2 SER A 10 -5.664 15.799 0.980 1.00 71.35 H new ATOM 0 HB3 SER A 10 -3.943 15.495 1.107 1.00 71.35 H new ATOM 0 HG SER A 10 -5.013 15.353 3.162 1.00 50.32 H new ATOM 163 N GLU A 11 -3.178 18.413 2.693 1.00 22.21 N ATOM 164 CA GLU A 11 -2.024 18.989 3.387 1.00 11.51 C ATOM 165 C GLU A 11 -1.958 18.521 4.849 1.00 50.13 C ATOM 166 O GLU A 11 -2.982 18.268 5.485 1.00 22.35 O ATOM 167 CB GLU A 11 -2.074 20.525 3.311 1.00 53.45 C ATOM 168 CG GLU A 11 -3.333 21.138 3.921 1.00 73.52 C ATOM 169 CD GLU A 11 -3.446 22.629 3.651 1.00 34.01 C ATOM 170 OE1 GLU A 11 -3.931 23.004 2.563 1.00 55.04 O ATOM 171 OE2 GLU A 11 -3.048 23.435 4.519 1.00 71.11 O ATOM 0 H GLU A 11 -3.988 18.249 3.291 1.00 22.21 H new ATOM 0 HA GLU A 11 -1.120 18.640 2.889 1.00 11.51 H new ATOM 0 HB2 GLU A 11 -1.201 20.932 3.821 1.00 53.45 H new ATOM 0 HB3 GLU A 11 -2.004 20.829 2.267 1.00 53.45 H new ATOM 0 HG2 GLU A 11 -4.211 20.632 3.519 1.00 73.52 H new ATOM 0 HG3 GLU A 11 -3.331 20.966 4.997 1.00 73.52 H new ATOM 178 N LEU A 12 -0.741 18.398 5.370 1.00 21.14 N ATOM 179 CA LEU A 12 -0.516 17.924 6.740 1.00 25.14 C ATOM 180 C LEU A 12 0.428 18.870 7.506 1.00 13.23 C ATOM 181 O LEU A 12 1.309 19.492 6.913 1.00 74.32 O ATOM 182 CB LEU A 12 0.025 16.475 6.724 1.00 21.53 C ATOM 183 CG LEU A 12 0.715 16.019 5.418 1.00 74.02 C ATOM 184 CD1 LEU A 12 1.961 16.844 5.118 1.00 75.41 C ATOM 185 CD2 LEU A 12 1.056 14.531 5.482 1.00 32.44 C ATOM 0 H LEU A 12 0.115 18.621 4.862 1.00 21.14 H new ATOM 0 HA LEU A 12 -1.470 17.923 7.267 1.00 25.14 H new ATOM 0 HB2 LEU A 12 0.736 16.365 7.543 1.00 21.53 H new ATOM 0 HB3 LEU A 12 -0.804 15.797 6.928 1.00 21.53 H new ATOM 0 HG LEU A 12 0.012 16.182 4.601 1.00 74.02 H new ATOM 0 HD11 LEU A 12 2.416 16.492 4.192 1.00 75.41 H new ATOM 0 HD12 LEU A 12 1.686 17.893 5.011 1.00 75.41 H new ATOM 0 HD13 LEU A 12 2.673 16.738 5.936 1.00 75.41 H new ATOM 0 HD21 LEU A 12 1.541 14.229 4.554 1.00 32.44 H new ATOM 0 HD22 LEU A 12 1.729 14.348 6.320 1.00 32.44 H new ATOM 0 HD23 LEU A 12 0.142 13.954 5.618 1.00 32.44 H new ATOM 197 N PRO A 13 0.257 18.988 8.841 1.00 43.23 N ATOM 198 CA PRO A 13 1.026 19.944 9.672 1.00 31.24 C ATOM 199 C PRO A 13 2.513 19.571 9.868 1.00 24.03 C ATOM 200 O PRO A 13 3.166 20.066 10.789 1.00 31.24 O ATOM 201 CB PRO A 13 0.281 19.904 11.014 1.00 63.31 C ATOM 202 CG PRO A 13 -0.317 18.541 11.067 1.00 2.13 C ATOM 203 CD PRO A 13 -0.704 18.210 9.651 1.00 43.31 C ATOM 0 HA PRO A 13 1.071 20.925 9.199 1.00 31.24 H new ATOM 0 HB2 PRO A 13 0.960 20.073 11.850 1.00 63.31 H new ATOM 0 HB3 PRO A 13 -0.486 20.677 11.065 1.00 63.31 H new ATOM 0 HG2 PRO A 13 0.397 17.815 11.458 1.00 2.13 H new ATOM 0 HG3 PRO A 13 -1.186 18.520 11.725 1.00 2.13 H new ATOM 0 HD2 PRO A 13 -0.624 17.141 9.452 1.00 43.31 H new ATOM 0 HD3 PRO A 13 -1.734 18.498 9.438 1.00 43.31 H new ATOM 211 N PHE A 14 3.046 18.715 8.999 1.00 32.42 N ATOM 212 CA PHE A 14 4.462 18.332 9.051 1.00 50.44 C ATOM 213 C PHE A 14 5.025 18.101 7.638 1.00 31.12 C ATOM 214 O PHE A 14 4.879 17.027 7.062 1.00 61.31 O ATOM 215 CB PHE A 14 4.668 17.092 9.949 1.00 45.42 C ATOM 216 CG PHE A 14 3.668 15.975 9.731 1.00 53.10 C ATOM 217 CD1 PHE A 14 2.439 15.988 10.380 1.00 23.11 C ATOM 218 CD2 PHE A 14 3.961 14.910 8.892 1.00 1.23 C ATOM 219 CE1 PHE A 14 1.527 14.966 10.193 1.00 64.44 C ATOM 220 CE2 PHE A 14 3.051 13.886 8.702 1.00 53.02 C ATOM 221 CZ PHE A 14 1.835 13.915 9.353 1.00 2.23 C ATOM 0 H PHE A 14 2.520 18.270 8.247 1.00 32.42 H new ATOM 0 HA PHE A 14 5.017 19.158 9.496 1.00 50.44 H new ATOM 0 HB2 PHE A 14 5.671 16.701 9.779 1.00 45.42 H new ATOM 0 HB3 PHE A 14 4.620 17.405 10.992 1.00 45.42 H new ATOM 0 HD1 PHE A 14 2.193 16.807 11.039 1.00 23.11 H new ATOM 0 HD2 PHE A 14 4.912 14.880 8.381 1.00 1.23 H new ATOM 0 HE1 PHE A 14 0.575 14.990 10.703 1.00 64.44 H new ATOM 0 HE2 PHE A 14 3.292 13.064 8.044 1.00 53.02 H new ATOM 0 HZ PHE A 14 1.124 13.115 9.205 1.00 2.23 H new ATOM 231 N GLU A 15 5.653 19.136 7.081 1.00 41.33 N ATOM 232 CA GLU A 15 6.201 19.076 5.721 1.00 31.34 C ATOM 233 C GLU A 15 7.384 18.097 5.611 1.00 52.13 C ATOM 234 O GLU A 15 7.423 17.248 4.724 1.00 63.32 O ATOM 235 CB GLU A 15 6.635 20.477 5.263 1.00 72.44 C ATOM 236 CG GLU A 15 7.614 21.168 6.211 1.00 23.22 C ATOM 237 CD GLU A 15 8.134 22.487 5.661 1.00 34.12 C ATOM 238 OE1 GLU A 15 9.132 22.469 4.909 1.00 64.02 O ATOM 239 OE2 GLU A 15 7.558 23.547 5.983 1.00 22.31 O ATOM 0 H GLU A 15 5.797 20.030 7.550 1.00 41.33 H new ATOM 0 HA GLU A 15 5.409 18.706 5.070 1.00 31.34 H new ATOM 0 HB2 GLU A 15 7.094 20.399 4.277 1.00 72.44 H new ATOM 0 HB3 GLU A 15 5.749 21.102 5.154 1.00 72.44 H new ATOM 0 HG2 GLU A 15 7.122 21.347 7.167 1.00 23.22 H new ATOM 0 HG3 GLU A 15 8.456 20.503 6.405 1.00 23.22 H new ATOM 246 N ARG A 16 8.352 18.220 6.512 1.00 35.33 N ATOM 247 CA ARG A 16 9.551 17.377 6.473 1.00 31.23 C ATOM 248 C ARG A 16 9.296 15.997 7.099 1.00 25.53 C ATOM 249 O ARG A 16 9.102 15.875 8.308 1.00 51.33 O ATOM 250 CB ARG A 16 10.727 18.083 7.179 1.00 23.34 C ATOM 251 CG ARG A 16 11.788 18.623 6.221 1.00 13.03 C ATOM 252 CD ARG A 16 11.216 19.624 5.219 1.00 34.21 C ATOM 253 NE ARG A 16 12.160 19.914 4.143 1.00 5.34 N ATOM 254 CZ ARG A 16 11.912 20.711 3.136 1.00 71.21 C ATOM 255 NH1 ARG A 16 10.811 21.392 3.077 1.00 4.23 N ATOM 256 NH2 ARG A 16 12.784 20.839 2.191 1.00 11.43 N ATOM 0 H ARG A 16 8.334 18.893 7.279 1.00 35.33 H new ATOM 0 HA ARG A 16 9.811 17.219 5.426 1.00 31.23 H new ATOM 0 HB2 ARG A 16 10.338 18.907 7.777 1.00 23.34 H new ATOM 0 HB3 ARG A 16 11.197 17.383 7.869 1.00 23.34 H new ATOM 0 HG2 ARG A 16 12.581 19.101 6.795 1.00 13.03 H new ATOM 0 HG3 ARG A 16 12.242 17.792 5.681 1.00 13.03 H new ATOM 0 HD2 ARG A 16 10.293 19.228 4.796 1.00 34.21 H new ATOM 0 HD3 ARG A 16 10.958 20.549 5.736 1.00 34.21 H new ATOM 0 HE ARG A 16 13.075 19.464 4.179 1.00 5.34 H new ATOM 0 HH11 ARG A 16 10.121 21.311 3.824 1.00 4.23 H new ATOM 0 HH12 ARG A 16 10.635 22.009 2.284 1.00 4.23 H new ATOM 0 HH21 ARG A 16 13.661 20.320 2.233 1.00 11.43 H new ATOM 0 HH22 ARG A 16 12.595 21.459 1.404 1.00 11.43 H new ATOM 270 N VAL A 17 9.293 14.960 6.266 1.00 73.44 N ATOM 271 CA VAL A 17 9.101 13.581 6.736 1.00 33.10 C ATOM 272 C VAL A 17 10.273 12.679 6.320 1.00 13.31 C ATOM 273 O VAL A 17 11.011 12.990 5.383 1.00 63.14 O ATOM 274 CB VAL A 17 7.773 12.976 6.205 1.00 32.10 C ATOM 275 CG1 VAL A 17 6.573 13.758 6.733 1.00 53.10 C ATOM 276 CG2 VAL A 17 7.760 12.935 4.678 1.00 14.00 C ATOM 0 H VAL A 17 9.421 15.044 5.258 1.00 73.44 H new ATOM 0 HA VAL A 17 9.056 13.626 7.824 1.00 33.10 H new ATOM 0 HB VAL A 17 7.702 11.951 6.570 1.00 32.10 H new ATOM 0 HG11 VAL A 17 5.653 13.317 6.348 1.00 53.10 H new ATOM 0 HG12 VAL A 17 6.565 13.721 7.822 1.00 53.10 H new ATOM 0 HG13 VAL A 17 6.642 14.795 6.406 1.00 53.10 H new ATOM 0 HG21 VAL A 17 6.819 12.507 4.334 1.00 14.00 H new ATOM 0 HG22 VAL A 17 7.863 13.947 4.286 1.00 14.00 H new ATOM 0 HG23 VAL A 17 8.589 12.322 4.323 1.00 14.00 H new ATOM 286 N TYR A 18 10.449 11.573 7.038 1.00 1.14 N ATOM 287 CA TYR A 18 11.505 10.603 6.727 1.00 32.12 C ATOM 288 C TYR A 18 11.013 9.160 6.906 1.00 60.44 C ATOM 289 O TYR A 18 10.509 8.794 7.965 1.00 3.23 O ATOM 290 CB TYR A 18 12.732 10.844 7.616 1.00 40.40 C ATOM 291 CG TYR A 18 13.843 9.835 7.387 1.00 54.22 C ATOM 292 CD1 TYR A 18 14.638 9.898 6.248 1.00 41.32 C ATOM 293 CD2 TYR A 18 14.088 8.814 8.301 1.00 71.52 C ATOM 294 CE1 TYR A 18 15.637 8.975 6.025 1.00 74.02 C ATOM 295 CE2 TYR A 18 15.091 7.889 8.084 1.00 63.00 C ATOM 296 CZ TYR A 18 15.862 7.975 6.944 1.00 11.23 C ATOM 297 OH TYR A 18 16.859 7.052 6.717 1.00 30.45 O ATOM 0 H TYR A 18 9.874 11.322 7.842 1.00 1.14 H new ATOM 0 HA TYR A 18 11.782 10.743 5.682 1.00 32.12 H new ATOM 0 HB2 TYR A 18 13.116 11.847 7.430 1.00 40.40 H new ATOM 0 HB3 TYR A 18 12.428 10.809 8.662 1.00 40.40 H new ATOM 0 HD1 TYR A 18 14.470 10.683 5.526 1.00 41.32 H new ATOM 0 HD2 TYR A 18 13.484 8.744 9.194 1.00 71.52 H new ATOM 0 HE1 TYR A 18 16.241 9.036 5.132 1.00 74.02 H new ATOM 0 HE2 TYR A 18 15.270 7.103 8.803 1.00 63.00 H new ATOM 0 HH TYR A 18 16.889 6.414 7.460 1.00 30.45 H new ATOM 307 N ILE A 19 11.173 8.342 5.875 1.00 4.23 N ATOM 308 CA ILE A 19 10.750 6.938 5.929 1.00 4.50 C ATOM 309 C ILE A 19 11.902 5.998 6.336 1.00 64.10 C ATOM 310 O ILE A 19 13.075 6.270 6.074 1.00 33.45 O ATOM 311 CB ILE A 19 10.179 6.478 4.564 1.00 64.51 C ATOM 312 CG1 ILE A 19 9.624 5.043 4.654 1.00 52.44 C ATOM 313 CG2 ILE A 19 11.249 6.585 3.475 1.00 4.32 C ATOM 314 CD1 ILE A 19 8.962 4.555 3.382 1.00 73.25 C ATOM 0 H ILE A 19 11.592 8.621 4.988 1.00 4.23 H new ATOM 0 HA ILE A 19 9.973 6.880 6.691 1.00 4.50 H new ATOM 0 HB ILE A 19 9.353 7.137 4.298 1.00 64.51 H new ATOM 0 HG12 ILE A 19 10.438 4.365 4.910 1.00 52.44 H new ATOM 0 HG13 ILE A 19 8.901 4.995 5.469 1.00 52.44 H new ATOM 0 HG21 ILE A 19 10.832 6.258 2.522 1.00 4.32 H new ATOM 0 HG22 ILE A 19 11.580 7.620 3.391 1.00 4.32 H new ATOM 0 HG23 ILE A 19 12.098 5.953 3.736 1.00 4.32 H new ATOM 0 HD11 ILE A 19 8.599 3.538 3.528 1.00 73.25 H new ATOM 0 HD12 ILE A 19 8.125 5.207 3.134 1.00 73.25 H new ATOM 0 HD13 ILE A 19 9.686 4.568 2.567 1.00 73.25 H new ATOM 326 N THR A 20 11.551 4.894 6.993 1.00 24.22 N ATOM 327 CA THR A 20 12.514 3.834 7.325 1.00 20.11 C ATOM 328 C THR A 20 11.872 2.444 7.165 1.00 50.35 C ATOM 329 O THR A 20 10.813 2.164 7.732 1.00 20.11 O ATOM 330 CB THR A 20 13.086 3.995 8.758 1.00 52.33 C ATOM 331 OG1 THR A 20 13.897 2.862 9.105 1.00 23.43 O ATOM 332 CG2 THR A 20 11.976 4.167 9.787 1.00 74.31 C ATOM 0 H THR A 20 10.600 4.705 7.310 1.00 24.22 H new ATOM 0 HA THR A 20 13.344 3.926 6.624 1.00 20.11 H new ATOM 0 HB THR A 20 13.701 4.895 8.766 1.00 52.33 H new ATOM 0 HG1 THR A 20 14.252 2.979 10.011 1.00 23.43 H new ATOM 0 HG21 THR A 20 12.414 4.277 10.779 1.00 74.31 H new ATOM 0 HG22 THR A 20 11.392 5.056 9.547 1.00 74.31 H new ATOM 0 HG23 THR A 20 11.327 3.292 9.772 1.00 74.31 H new ATOM 340 N ALA A 21 12.508 1.588 6.364 1.00 70.12 N ATOM 341 CA ALA A 21 11.969 0.257 6.051 1.00 13.41 C ATOM 342 C ALA A 21 12.965 -0.864 6.412 1.00 71.13 C ATOM 343 O ALA A 21 14.182 -0.659 6.387 1.00 13.52 O ATOM 344 CB ALA A 21 11.598 0.181 4.568 1.00 42.44 C ATOM 0 H ALA A 21 13.402 1.791 5.916 1.00 70.12 H new ATOM 0 HA ALA A 21 11.075 0.107 6.657 1.00 13.41 H new ATOM 0 HB1 ALA A 21 11.199 -0.808 4.343 1.00 42.44 H new ATOM 0 HB2 ALA A 21 10.845 0.936 4.342 1.00 42.44 H new ATOM 0 HB3 ALA A 21 12.485 0.361 3.961 1.00 42.44 H new ATOM 350 N PRO A 22 12.462 -2.066 6.762 1.00 5.34 N ATOM 351 CA PRO A 22 13.319 -3.221 7.094 1.00 14.51 C ATOM 352 C PRO A 22 13.889 -3.924 5.850 1.00 13.21 C ATOM 353 O PRO A 22 14.867 -4.674 5.937 1.00 74.31 O ATOM 354 CB PRO A 22 12.356 -4.146 7.840 1.00 15.22 C ATOM 355 CG PRO A 22 11.026 -3.868 7.222 1.00 53.13 C ATOM 356 CD PRO A 22 11.025 -2.398 6.886 1.00 42.05 C ATOM 0 HA PRO A 22 14.199 -2.928 7.666 1.00 14.51 H new ATOM 0 HB2 PRO A 22 12.638 -5.192 7.723 1.00 15.22 H new ATOM 0 HB3 PRO A 22 12.350 -3.935 8.909 1.00 15.22 H new ATOM 0 HG2 PRO A 22 10.877 -4.473 6.328 1.00 53.13 H new ATOM 0 HG3 PRO A 22 10.217 -4.112 7.910 1.00 53.13 H new ATOM 0 HD2 PRO A 22 10.487 -2.199 5.959 1.00 42.05 H new ATOM 0 HD3 PRO A 22 10.544 -1.809 7.667 1.00 42.05 H new ATOM 364 N ALA A 23 13.275 -3.670 4.695 1.00 73.00 N ATOM 365 CA ALA A 23 13.677 -4.309 3.438 1.00 55.21 C ATOM 366 C ALA A 23 13.354 -3.422 2.228 1.00 61.42 C ATOM 367 O ALA A 23 12.645 -2.421 2.353 1.00 10.22 O ATOM 368 CB ALA A 23 12.986 -5.662 3.301 1.00 3.34 C ATOM 0 H ALA A 23 12.492 -3.023 4.602 1.00 73.00 H new ATOM 0 HA ALA A 23 14.757 -4.455 3.462 1.00 55.21 H new ATOM 0 HB1 ALA A 23 13.289 -6.132 2.365 1.00 3.34 H new ATOM 0 HB2 ALA A 23 13.270 -6.302 4.137 1.00 3.34 H new ATOM 0 HB3 ALA A 23 11.905 -5.520 3.303 1.00 3.34 H new ATOM 374 N GLY A 24 13.877 -3.794 1.059 1.00 35.32 N ATOM 375 CA GLY A 24 13.597 -3.043 -0.161 1.00 51.12 C ATOM 376 C GLY A 24 12.172 -3.248 -0.662 1.00 44.33 C ATOM 377 O GLY A 24 11.933 -3.992 -1.616 1.00 41.52 O ATOM 0 H GLY A 24 14.489 -4.600 0.933 1.00 35.32 H new ATOM 0 HA2 GLY A 24 13.764 -1.982 0.024 1.00 51.12 H new ATOM 0 HA3 GLY A 24 14.299 -3.346 -0.938 1.00 51.12 H new ATOM 381 N LEU A 25 11.224 -2.590 -0.004 1.00 43.53 N ATOM 382 CA LEU A 25 9.802 -2.731 -0.327 1.00 0.12 C ATOM 383 C LEU A 25 9.301 -1.563 -1.195 1.00 61.42 C ATOM 384 O LEU A 25 9.418 -0.396 -0.812 1.00 22.34 O ATOM 385 CB LEU A 25 8.993 -2.808 0.976 1.00 12.41 C ATOM 386 CG LEU A 25 9.399 -3.943 1.934 1.00 3.31 C ATOM 387 CD1 LEU A 25 8.664 -3.821 3.265 1.00 5.04 C ATOM 388 CD2 LEU A 25 9.140 -5.307 1.295 1.00 32.51 C ATOM 0 H LEU A 25 11.414 -1.947 0.764 1.00 43.53 H new ATOM 0 HA LEU A 25 9.667 -3.647 -0.902 1.00 0.12 H new ATOM 0 HB2 LEU A 25 9.090 -1.858 1.502 1.00 12.41 H new ATOM 0 HB3 LEU A 25 7.939 -2.926 0.724 1.00 12.41 H new ATOM 0 HG LEU A 25 10.468 -3.855 2.130 1.00 3.31 H new ATOM 0 HD11 LEU A 25 8.968 -4.634 3.924 1.00 5.04 H new ATOM 0 HD12 LEU A 25 8.909 -2.866 3.730 1.00 5.04 H new ATOM 0 HD13 LEU A 25 7.589 -3.876 3.093 1.00 5.04 H new ATOM 0 HD21 LEU A 25 9.434 -6.095 1.988 1.00 32.51 H new ATOM 0 HD22 LEU A 25 8.080 -5.405 1.063 1.00 32.51 H new ATOM 0 HD23 LEU A 25 9.722 -5.395 0.378 1.00 32.51 H new ATOM 400 N THR A 26 8.728 -1.892 -2.354 1.00 50.10 N ATOM 401 CA THR A 26 8.191 -0.886 -3.290 1.00 24.32 C ATOM 402 C THR A 26 7.199 0.064 -2.607 1.00 42.52 C ATOM 403 O THR A 26 7.133 1.249 -2.937 1.00 34.14 O ATOM 404 CB THR A 26 7.477 -1.557 -4.489 1.00 41.04 C ATOM 405 OG1 THR A 26 6.391 -2.372 -4.022 1.00 5.33 O ATOM 406 CG2 THR A 26 8.447 -2.415 -5.297 1.00 64.35 C ATOM 0 H THR A 26 8.620 -2.854 -2.674 1.00 50.10 H new ATOM 0 HA THR A 26 9.049 -0.314 -3.642 1.00 24.32 H new ATOM 0 HB THR A 26 7.092 -0.768 -5.135 1.00 41.04 H new ATOM 0 HG1 THR A 26 5.944 -2.791 -4.787 1.00 5.33 H new ATOM 0 HG21 THR A 26 7.918 -2.874 -6.132 1.00 64.35 H new ATOM 0 HG22 THR A 26 9.255 -1.790 -5.678 1.00 64.35 H new ATOM 0 HG23 THR A 26 8.862 -3.195 -4.658 1.00 64.35 H new ATOM 414 N ILE A 27 6.442 -0.470 -1.643 1.00 10.31 N ATOM 415 CA ILE A 27 5.462 0.313 -0.876 1.00 55.24 C ATOM 416 C ILE A 27 6.046 1.654 -0.385 1.00 70.43 C ATOM 417 O ILE A 27 5.361 2.678 -0.377 1.00 34.31 O ATOM 418 CB ILE A 27 4.937 -0.501 0.342 1.00 24.42 C ATOM 419 CG1 ILE A 27 3.775 0.232 1.033 1.00 51.44 C ATOM 420 CG2 ILE A 27 6.062 -0.789 1.342 1.00 41.54 C ATOM 421 CD1 ILE A 27 2.516 0.319 0.191 1.00 41.31 C ATOM 0 H ILE A 27 6.489 -1.452 -1.372 1.00 10.31 H new ATOM 0 HA ILE A 27 4.636 0.531 -1.552 1.00 55.24 H new ATOM 0 HB ILE A 27 4.566 -1.455 -0.033 1.00 24.42 H new ATOM 0 HG12 ILE A 27 3.541 -0.278 1.967 1.00 51.44 H new ATOM 0 HG13 ILE A 27 4.097 1.240 1.292 1.00 51.44 H new ATOM 0 HG21 ILE A 27 5.665 -1.359 2.182 1.00 41.54 H new ATOM 0 HG22 ILE A 27 6.847 -1.365 0.851 1.00 41.54 H new ATOM 0 HG23 ILE A 27 6.476 0.152 1.705 1.00 41.54 H new ATOM 0 HD11 ILE A 27 1.743 0.849 0.747 1.00 41.31 H new ATOM 0 HD12 ILE A 27 2.732 0.856 -0.733 1.00 41.31 H new ATOM 0 HD13 ILE A 27 2.167 -0.686 -0.047 1.00 41.31 H new ATOM 433 N GLY A 28 7.322 1.641 0.004 1.00 23.30 N ATOM 434 CA GLY A 28 7.974 2.852 0.486 1.00 14.31 C ATOM 435 C GLY A 28 8.246 3.866 -0.621 1.00 11.21 C ATOM 436 O GLY A 28 8.073 5.068 -0.427 1.00 41.21 O ATOM 0 H GLY A 28 7.917 0.812 -0.006 1.00 23.30 H new ATOM 0 HA2 GLY A 28 7.349 3.315 1.249 1.00 14.31 H new ATOM 0 HA3 GLY A 28 8.916 2.584 0.965 1.00 14.31 H new ATOM 440 N SER A 29 8.664 3.374 -1.788 1.00 44.02 N ATOM 441 CA SER A 29 8.977 4.249 -2.929 1.00 61.44 C ATOM 442 C SER A 29 7.722 4.979 -3.416 1.00 53.12 C ATOM 443 O SER A 29 7.728 6.198 -3.593 1.00 75.13 O ATOM 444 CB SER A 29 9.592 3.441 -4.081 1.00 44.01 C ATOM 445 OG SER A 29 10.033 4.289 -5.132 1.00 12.21 O ATOM 0 H SER A 29 8.795 2.379 -1.972 1.00 44.02 H new ATOM 0 HA SER A 29 9.703 4.989 -2.592 1.00 61.44 H new ATOM 0 HB2 SER A 29 10.432 2.854 -3.708 1.00 44.01 H new ATOM 0 HB3 SER A 29 8.856 2.735 -4.466 1.00 44.01 H new ATOM 0 HG SER A 29 10.421 3.746 -5.850 1.00 12.21 H new ATOM 451 N ASP A 30 6.646 4.224 -3.630 1.00 62.04 N ATOM 452 CA ASP A 30 5.353 4.804 -4.000 1.00 64.12 C ATOM 453 C ASP A 30 4.888 5.843 -2.967 1.00 61.34 C ATOM 454 O ASP A 30 4.573 6.980 -3.314 1.00 3.32 O ATOM 455 CB ASP A 30 4.295 3.700 -4.133 1.00 23.53 C ATOM 456 CG ASP A 30 4.464 2.864 -5.388 1.00 50.14 C ATOM 457 OD1 ASP A 30 5.502 2.187 -5.527 1.00 33.11 O ATOM 458 OD2 ASP A 30 3.550 2.881 -6.244 1.00 43.55 O ATOM 0 H ASP A 30 6.643 3.207 -3.554 1.00 62.04 H new ATOM 0 HA ASP A 30 5.478 5.307 -4.959 1.00 64.12 H new ATOM 0 HB2 ASP A 30 4.346 3.049 -3.260 1.00 23.53 H new ATOM 0 HB3 ASP A 30 3.304 4.153 -4.136 1.00 23.53 H new ATOM 463 N LEU A 31 4.866 5.440 -1.696 1.00 11.51 N ATOM 464 CA LEU A 31 4.352 6.285 -0.609 1.00 54.45 C ATOM 465 C LEU A 31 5.019 7.672 -0.569 1.00 45.05 C ATOM 466 O LEU A 31 4.367 8.687 -0.825 1.00 51.51 O ATOM 467 CB LEU A 31 4.535 5.575 0.742 1.00 0.44 C ATOM 468 CG LEU A 31 4.041 6.360 1.970 1.00 11.20 C ATOM 469 CD1 LEU A 31 2.558 6.702 1.835 1.00 62.51 C ATOM 470 CD2 LEU A 31 4.301 5.570 3.252 1.00 72.00 C ATOM 0 H LEU A 31 5.200 4.527 -1.389 1.00 11.51 H new ATOM 0 HA LEU A 31 3.291 6.445 -0.803 1.00 54.45 H new ATOM 0 HB2 LEU A 31 4.010 4.621 0.706 1.00 0.44 H new ATOM 0 HB3 LEU A 31 5.593 5.352 0.876 1.00 0.44 H new ATOM 0 HG LEU A 31 4.599 7.295 2.025 1.00 11.20 H new ATOM 0 HD11 LEU A 31 2.231 7.257 2.714 1.00 62.51 H new ATOM 0 HD12 LEU A 31 2.405 7.311 0.944 1.00 62.51 H new ATOM 0 HD13 LEU A 31 1.979 5.783 1.750 1.00 62.51 H new ATOM 0 HD21 LEU A 31 3.945 6.141 4.110 1.00 72.00 H new ATOM 0 HD22 LEU A 31 3.773 4.617 3.206 1.00 72.00 H new ATOM 0 HD23 LEU A 31 5.371 5.387 3.356 1.00 72.00 H new ATOM 482 N GLU A 32 6.314 7.705 -0.265 1.00 13.33 N ATOM 483 CA GLU A 32 7.051 8.967 -0.098 1.00 34.10 C ATOM 484 C GLU A 32 6.902 9.902 -1.311 1.00 11.23 C ATOM 485 O GLU A 32 6.777 11.122 -1.158 1.00 1.41 O ATOM 486 CB GLU A 32 8.532 8.673 0.168 1.00 44.15 C ATOM 487 CG GLU A 32 8.776 7.878 1.446 1.00 14.14 C ATOM 488 CD GLU A 32 8.217 8.567 2.688 1.00 41.32 C ATOM 489 OE1 GLU A 32 8.918 9.427 3.263 1.00 32.21 O ATOM 490 OE2 GLU A 32 7.080 8.241 3.093 1.00 22.51 O ATOM 0 H GLU A 32 6.883 6.870 -0.127 1.00 13.33 H new ATOM 0 HA GLU A 32 6.619 9.486 0.757 1.00 34.10 H new ATOM 0 HB2 GLU A 32 8.942 8.121 -0.678 1.00 44.15 H new ATOM 0 HB3 GLU A 32 9.076 9.616 0.227 1.00 44.15 H new ATOM 0 HG2 GLU A 32 8.321 6.892 1.347 1.00 14.14 H new ATOM 0 HG3 GLU A 32 9.847 7.724 1.573 1.00 14.14 H new ATOM 497 N ARG A 33 6.906 9.329 -2.513 1.00 50.43 N ATOM 498 CA ARG A 33 6.726 10.119 -3.736 1.00 22.14 C ATOM 499 C ARG A 33 5.298 10.681 -3.825 1.00 71.53 C ATOM 500 O ARG A 33 5.109 11.871 -4.090 1.00 34.32 O ATOM 501 CB ARG A 33 7.063 9.274 -4.974 1.00 72.44 C ATOM 502 CG ARG A 33 8.524 8.841 -5.019 1.00 34.14 C ATOM 503 CD ARG A 33 8.845 8.004 -6.253 1.00 22.21 C ATOM 504 NE ARG A 33 10.239 7.563 -6.249 1.00 33.22 N ATOM 505 CZ ARG A 33 10.833 6.954 -7.241 1.00 21.11 C ATOM 506 NH1 ARG A 33 10.191 6.673 -8.332 1.00 34.10 N ATOM 507 NH2 ARG A 33 12.077 6.620 -7.134 1.00 22.22 N ATOM 0 H ARG A 33 7.031 8.329 -2.669 1.00 50.43 H new ATOM 0 HA ARG A 33 7.413 10.965 -3.701 1.00 22.14 H new ATOM 0 HB2 ARG A 33 6.427 8.389 -4.987 1.00 72.44 H new ATOM 0 HB3 ARG A 33 6.831 9.847 -5.872 1.00 72.44 H new ATOM 0 HG2 ARG A 33 9.162 9.724 -5.006 1.00 34.14 H new ATOM 0 HG3 ARG A 33 8.757 8.266 -4.123 1.00 34.14 H new ATOM 0 HD2 ARG A 33 8.187 7.136 -6.287 1.00 22.21 H new ATOM 0 HD3 ARG A 33 8.649 8.588 -7.152 1.00 22.21 H new ATOM 0 HE ARG A 33 10.789 7.744 -5.409 1.00 33.22 H new ATOM 0 HH11 ARG A 33 9.208 6.928 -8.425 1.00 34.10 H new ATOM 0 HH12 ARG A 33 10.669 6.197 -9.097 1.00 34.10 H new ATOM 0 HH21 ARG A 33 12.590 6.832 -6.278 1.00 22.22 H new ATOM 0 HH22 ARG A 33 12.546 6.144 -7.905 1.00 22.22 H new ATOM 521 N VAL A 34 4.298 9.833 -3.576 1.00 24.43 N ATOM 522 CA VAL A 34 2.896 10.271 -3.562 1.00 23.11 C ATOM 523 C VAL A 34 2.661 11.365 -2.501 1.00 30.40 C ATOM 524 O VAL A 34 1.895 12.305 -2.722 1.00 34.25 O ATOM 525 CB VAL A 34 1.931 9.076 -3.310 1.00 64.45 C ATOM 526 CG1 VAL A 34 0.488 9.553 -3.138 1.00 11.43 C ATOM 527 CG2 VAL A 34 2.026 8.063 -4.453 1.00 41.23 C ATOM 0 H VAL A 34 4.430 8.840 -3.381 1.00 24.43 H new ATOM 0 HA VAL A 34 2.683 10.688 -4.546 1.00 23.11 H new ATOM 0 HB VAL A 34 2.235 8.590 -2.383 1.00 64.45 H new ATOM 0 HG11 VAL A 34 -0.161 8.695 -2.964 1.00 11.43 H new ATOM 0 HG12 VAL A 34 0.428 10.232 -2.287 1.00 11.43 H new ATOM 0 HG13 VAL A 34 0.167 10.073 -4.040 1.00 11.43 H new ATOM 0 HG21 VAL A 34 1.345 7.234 -4.262 1.00 41.23 H new ATOM 0 HG22 VAL A 34 1.754 8.547 -5.391 1.00 41.23 H new ATOM 0 HG23 VAL A 34 3.047 7.686 -4.521 1.00 41.23 H new ATOM 537 N ILE A 35 3.332 11.246 -1.359 1.00 22.35 N ATOM 538 CA ILE A 35 3.258 12.265 -0.304 1.00 21.53 C ATOM 539 C ILE A 35 3.767 13.624 -0.805 1.00 4.13 C ATOM 540 O ILE A 35 2.997 14.572 -0.943 1.00 10.35 O ATOM 541 CB ILE A 35 4.078 11.837 0.945 1.00 31.01 C ATOM 542 CG1 ILE A 35 3.474 10.569 1.572 1.00 24.32 C ATOM 543 CG2 ILE A 35 4.153 12.970 1.972 1.00 71.00 C ATOM 544 CD1 ILE A 35 4.230 10.062 2.783 1.00 0.42 C ATOM 0 H ILE A 35 3.935 10.455 -1.136 1.00 22.35 H new ATOM 0 HA ILE A 35 2.209 12.362 -0.026 1.00 21.53 H new ATOM 0 HB ILE A 35 5.096 11.614 0.624 1.00 31.01 H new ATOM 0 HG12 ILE A 35 2.443 10.774 1.859 1.00 24.32 H new ATOM 0 HG13 ILE A 35 3.445 9.782 0.819 1.00 24.32 H new ATOM 0 HG21 ILE A 35 4.733 12.641 2.835 1.00 71.00 H new ATOM 0 HG22 ILE A 35 4.634 13.838 1.521 1.00 71.00 H new ATOM 0 HG23 ILE A 35 3.146 13.238 2.292 1.00 71.00 H new ATOM 0 HD11 ILE A 35 3.742 9.166 3.167 1.00 0.42 H new ATOM 0 HD12 ILE A 35 5.255 9.824 2.499 1.00 0.42 H new ATOM 0 HD13 ILE A 35 4.237 10.831 3.556 1.00 0.42 H new ATOM 556 N SER A 36 5.056 13.695 -1.117 1.00 40.11 N ATOM 557 CA SER A 36 5.699 14.969 -1.481 1.00 24.42 C ATOM 558 C SER A 36 5.082 15.611 -2.741 1.00 44.30 C ATOM 559 O SER A 36 5.292 16.795 -3.004 1.00 53.54 O ATOM 560 CB SER A 36 7.208 14.759 -1.687 1.00 62.04 C ATOM 561 OG SER A 36 7.889 15.996 -1.860 1.00 50.43 O ATOM 0 H SER A 36 5.683 12.890 -1.128 1.00 40.11 H new ATOM 0 HA SER A 36 5.528 15.658 -0.654 1.00 24.42 H new ATOM 0 HB2 SER A 36 7.623 14.231 -0.828 1.00 62.04 H new ATOM 0 HB3 SER A 36 7.372 14.127 -2.560 1.00 62.04 H new ATOM 0 HG SER A 36 7.440 16.692 -1.337 1.00 50.43 H new ATOM 567 N THR A 37 4.329 14.831 -3.524 1.00 21.23 N ATOM 568 CA THR A 37 3.696 15.347 -4.752 1.00 5.03 C ATOM 569 C THR A 37 2.195 15.645 -4.574 1.00 21.40 C ATOM 570 O THR A 37 1.644 16.507 -5.262 1.00 65.10 O ATOM 571 CB THR A 37 3.860 14.361 -5.934 1.00 64.52 C ATOM 572 OG1 THR A 37 3.247 13.101 -5.618 1.00 24.33 O ATOM 573 CG2 THR A 37 5.334 14.142 -6.265 1.00 13.40 C ATOM 0 H THR A 37 4.141 13.846 -3.335 1.00 21.23 H new ATOM 0 HA THR A 37 4.213 16.282 -4.969 1.00 5.03 H new ATOM 0 HB THR A 37 3.369 14.796 -6.804 1.00 64.52 H new ATOM 0 HG1 THR A 37 2.272 13.190 -5.667 1.00 24.33 H new ATOM 0 HG21 THR A 37 5.420 13.445 -7.099 1.00 13.40 H new ATOM 0 HG22 THR A 37 5.791 15.093 -6.538 1.00 13.40 H new ATOM 0 HG23 THR A 37 5.845 13.731 -5.394 1.00 13.40 H new ATOM 581 N HIS A 38 1.524 14.930 -3.666 1.00 54.11 N ATOM 582 CA HIS A 38 0.069 15.105 -3.472 1.00 2.22 C ATOM 583 C HIS A 38 -0.282 15.826 -2.156 1.00 40.11 C ATOM 584 O HIS A 38 -1.457 16.088 -1.883 1.00 35.52 O ATOM 585 CB HIS A 38 -0.645 13.749 -3.542 1.00 30.01 C ATOM 586 CG HIS A 38 -0.557 13.103 -4.893 1.00 53.43 C ATOM 587 ND1 HIS A 38 0.401 12.325 -5.450 1.00 61.10 N flip ATOM 588 CD2 HIS A 38 -1.537 13.235 -5.850 1.00 51.55 C flip ATOM 589 CE1 HIS A 38 -0.016 12.008 -6.721 1.00 62.30 C flip ATOM 590 NE2 HIS A 38 -1.190 12.568 -6.931 1.00 42.33 N flip ATOM 0 H HIS A 38 1.952 14.232 -3.058 1.00 54.11 H new ATOM 0 HA HIS A 38 -0.280 15.745 -4.283 1.00 2.22 H new ATOM 0 HB2 HIS A 38 -0.213 13.080 -2.798 1.00 30.01 H new ATOM 0 HB3 HIS A 38 -1.694 13.884 -3.279 1.00 30.01 H new ATOM 0 HD2 HIS A 38 -2.450 13.799 -5.732 1.00 51.55 H new ATOM 0 HE1 HIS A 38 0.528 11.401 -7.429 1.00 62.30 H new ATOM 0 HE2 HIS A 38 -1.739 12.497 -7.788 1.00 42.33 H new ATOM 599 N THR A 39 0.727 16.146 -1.346 1.00 70.41 N ATOM 600 CA THR A 39 0.523 16.946 -0.122 1.00 51.43 C ATOM 601 C THR A 39 1.597 18.028 0.014 1.00 20.53 C ATOM 602 O THR A 39 2.586 18.033 -0.717 1.00 44.44 O ATOM 603 CB THR A 39 0.531 16.090 1.173 1.00 24.52 C ATOM 604 OG1 THR A 39 1.766 15.378 1.303 1.00 43.14 O ATOM 605 CG2 THR A 39 -0.632 15.109 1.202 1.00 12.34 C ATOM 0 H THR A 39 1.695 15.868 -1.508 1.00 70.41 H new ATOM 0 HA THR A 39 -0.463 17.397 -0.232 1.00 51.43 H new ATOM 0 HB THR A 39 0.423 16.775 2.014 1.00 24.52 H new ATOM 0 HG1 THR A 39 2.191 15.298 0.424 1.00 43.14 H new ATOM 0 HG21 THR A 39 -0.594 14.527 2.123 1.00 12.34 H new ATOM 0 HG22 THR A 39 -1.572 15.658 1.158 1.00 12.34 H new ATOM 0 HG23 THR A 39 -0.564 14.438 0.346 1.00 12.34 H new ATOM 613 N ARG A 40 1.394 18.954 0.948 1.00 75.55 N ATOM 614 CA ARG A 40 2.379 20.010 1.214 1.00 14.24 C ATOM 615 C ARG A 40 3.565 19.455 2.029 1.00 60.23 C ATOM 616 O ARG A 40 3.794 19.866 3.165 1.00 13.30 O ATOM 617 CB ARG A 40 1.715 21.170 1.978 1.00 13.24 C ATOM 618 CG ARG A 40 2.529 22.468 1.975 1.00 13.53 C ATOM 619 CD ARG A 40 2.217 23.333 0.753 1.00 52.24 C ATOM 620 NE ARG A 40 0.876 23.916 0.835 1.00 21.14 N ATOM 621 CZ ARG A 40 0.084 24.119 -0.183 1.00 23.04 C ATOM 622 NH1 ARG A 40 0.452 23.802 -1.387 1.00 55.14 N ATOM 623 NH2 ARG A 40 -1.084 24.642 0.013 1.00 4.20 N ATOM 0 H ARG A 40 0.560 18.998 1.534 1.00 75.55 H new ATOM 0 HA ARG A 40 2.756 20.378 0.260 1.00 14.24 H new ATOM 0 HB2 ARG A 40 0.736 21.366 1.540 1.00 13.24 H new ATOM 0 HB3 ARG A 40 1.546 20.862 3.010 1.00 13.24 H new ATOM 0 HG2 ARG A 40 2.316 23.032 2.883 1.00 13.53 H new ATOM 0 HG3 ARG A 40 3.593 22.230 1.989 1.00 13.53 H new ATOM 0 HD2 ARG A 40 2.957 24.130 0.672 1.00 52.24 H new ATOM 0 HD3 ARG A 40 2.298 22.730 -0.151 1.00 52.24 H new ATOM 0 HE ARG A 40 0.535 24.184 1.758 1.00 21.14 H new ATOM 0 HH11 ARG A 40 1.371 23.388 -1.547 1.00 55.14 H new ATOM 0 HH12 ARG A 40 -0.177 23.966 -2.173 1.00 55.14 H new ATOM 0 HH21 ARG A 40 -1.379 24.892 0.957 1.00 4.20 H new ATOM 0 HH22 ARG A 40 -1.709 24.804 -0.776 1.00 4.20 H new ATOM 637 N ALA A 41 4.313 18.518 1.448 1.00 21.34 N ATOM 638 CA ALA A 41 5.397 17.846 2.172 1.00 20.52 C ATOM 639 C ALA A 41 6.643 17.625 1.304 1.00 22.13 C ATOM 640 O ALA A 41 6.596 17.705 0.074 1.00 4.12 O ATOM 641 CB ALA A 41 4.905 16.512 2.727 1.00 55.10 C ATOM 0 H ALA A 41 4.192 18.207 0.484 1.00 21.34 H new ATOM 0 HA ALA A 41 5.690 18.504 2.990 1.00 20.52 H new ATOM 0 HB1 ALA A 41 5.716 16.020 3.263 1.00 55.10 H new ATOM 0 HB2 ALA A 41 4.073 16.686 3.409 1.00 55.10 H new ATOM 0 HB3 ALA A 41 4.574 15.876 1.906 1.00 55.10 H new ATOM 647 N LYS A 42 7.757 17.333 1.968 1.00 44.10 N ATOM 648 CA LYS A 42 9.026 17.037 1.303 1.00 54.24 C ATOM 649 C LYS A 42 9.820 15.998 2.112 1.00 74.13 C ATOM 650 O LYS A 42 10.122 16.212 3.287 1.00 21.00 O ATOM 651 CB LYS A 42 9.859 18.317 1.135 1.00 3.44 C ATOM 652 CG LYS A 42 11.188 18.098 0.414 1.00 41.02 C ATOM 653 CD LYS A 42 10.987 17.652 -1.035 1.00 74.54 C ATOM 654 CE LYS A 42 12.311 17.306 -1.712 1.00 2.23 C ATOM 655 NZ LYS A 42 13.286 18.425 -1.653 1.00 53.23 N ATOM 0 H LYS A 42 7.808 17.294 2.986 1.00 44.10 H new ATOM 0 HA LYS A 42 8.809 16.629 0.316 1.00 54.24 H new ATOM 0 HB2 LYS A 42 9.273 19.051 0.582 1.00 3.44 H new ATOM 0 HB3 LYS A 42 10.056 18.743 2.119 1.00 3.44 H new ATOM 0 HG2 LYS A 42 11.767 19.021 0.432 1.00 41.02 H new ATOM 0 HG3 LYS A 42 11.770 17.346 0.947 1.00 41.02 H new ATOM 0 HD2 LYS A 42 10.329 16.784 -1.060 1.00 74.54 H new ATOM 0 HD3 LYS A 42 10.490 18.445 -1.594 1.00 74.54 H new ATOM 0 HE2 LYS A 42 12.742 16.427 -1.233 1.00 2.23 H new ATOM 0 HE3 LYS A 42 12.126 17.043 -2.754 1.00 2.23 H new ATOM 0 HZ1 LYS A 42 14.098 18.210 -2.266 1.00 53.23 H new ATOM 0 HZ2 LYS A 42 12.829 19.301 -1.978 1.00 53.23 H new ATOM 0 HZ3 LYS A 42 13.614 18.548 -0.674 1.00 53.23 H new ATOM 669 N VAL A 43 10.149 14.874 1.480 1.00 52.43 N ATOM 670 CA VAL A 43 10.896 13.796 2.145 1.00 14.10 C ATOM 671 C VAL A 43 12.409 14.076 2.137 1.00 4.40 C ATOM 672 O VAL A 43 12.950 14.599 1.159 1.00 54.01 O ATOM 673 CB VAL A 43 10.614 12.430 1.469 1.00 1.32 C ATOM 674 CG1 VAL A 43 11.300 11.289 2.222 1.00 44.40 C ATOM 675 CG2 VAL A 43 9.106 12.194 1.358 1.00 4.21 C ATOM 0 H VAL A 43 9.912 14.681 0.507 1.00 52.43 H new ATOM 0 HA VAL A 43 10.556 13.757 3.180 1.00 14.10 H new ATOM 0 HB VAL A 43 11.031 12.452 0.462 1.00 1.32 H new ATOM 0 HG11 VAL A 43 11.084 10.343 1.725 1.00 44.40 H new ATOM 0 HG12 VAL A 43 12.377 11.456 2.233 1.00 44.40 H new ATOM 0 HG13 VAL A 43 10.928 11.254 3.246 1.00 44.40 H new ATOM 0 HG21 VAL A 43 8.923 11.231 0.881 1.00 4.21 H new ATOM 0 HG22 VAL A 43 8.663 12.196 2.354 1.00 4.21 H new ATOM 0 HG23 VAL A 43 8.657 12.987 0.759 1.00 4.21 H new ATOM 685 N VAL A 44 13.088 13.731 3.232 1.00 31.10 N ATOM 686 CA VAL A 44 14.529 13.994 3.373 1.00 72.54 C ATOM 687 C VAL A 44 15.369 12.703 3.382 1.00 31.24 C ATOM 688 O VAL A 44 14.842 11.596 3.478 1.00 71.21 O ATOM 689 CB VAL A 44 14.830 14.795 4.664 1.00 64.34 C ATOM 690 CG1 VAL A 44 14.237 16.201 4.588 1.00 54.11 C ATOM 691 CG2 VAL A 44 14.308 14.053 5.893 1.00 14.51 C ATOM 0 H VAL A 44 12.667 13.268 4.037 1.00 31.10 H new ATOM 0 HA VAL A 44 14.811 14.581 2.499 1.00 72.54 H new ATOM 0 HB VAL A 44 15.912 14.892 4.756 1.00 64.34 H new ATOM 0 HG11 VAL A 44 14.463 16.741 5.507 1.00 54.11 H new ATOM 0 HG12 VAL A 44 14.668 16.732 3.739 1.00 54.11 H new ATOM 0 HG13 VAL A 44 13.156 16.134 4.463 1.00 54.11 H new ATOM 0 HG21 VAL A 44 14.530 14.632 6.789 1.00 14.51 H new ATOM 0 HG22 VAL A 44 13.230 13.918 5.806 1.00 14.51 H new ATOM 0 HG23 VAL A 44 14.792 13.079 5.962 1.00 14.51 H new ATOM 701 N ASN A 45 16.688 12.872 3.293 1.00 32.44 N ATOM 702 CA ASN A 45 17.634 11.748 3.299 1.00 72.42 C ATOM 703 C ASN A 45 17.990 11.303 4.732 1.00 32.51 C ATOM 704 O ASN A 45 18.424 10.169 4.951 1.00 42.22 O ATOM 705 CB ASN A 45 18.905 12.149 2.530 1.00 73.11 C ATOM 706 CG ASN A 45 20.003 11.098 2.589 1.00 12.34 C ATOM 707 OD1 ASN A 45 20.890 11.155 3.436 1.00 11.04 O ATOM 708 ND2 ASN A 45 19.947 10.124 1.707 1.00 4.24 N ATOM 0 H ASN A 45 17.133 13.786 3.215 1.00 32.44 H new ATOM 0 HA ASN A 45 17.158 10.899 2.809 1.00 72.42 H new ATOM 0 HB2 ASN A 45 18.646 12.336 1.488 1.00 73.11 H new ATOM 0 HB3 ASN A 45 19.286 13.086 2.936 1.00 73.11 H new ATOM 0 HD21 ASN A 45 20.653 9.388 1.714 1.00 4.24 H new ATOM 0 HD22 ASN A 45 19.197 10.105 1.016 1.00 4.24 H new ATOM 715 N LYS A 46 17.797 12.192 5.706 1.00 34.45 N ATOM 716 CA LYS A 46 18.162 11.903 7.101 1.00 62.55 C ATOM 717 C LYS A 46 17.121 12.458 8.088 1.00 51.50 C ATOM 718 O LYS A 46 16.584 13.550 7.897 1.00 45.24 O ATOM 719 CB LYS A 46 19.555 12.472 7.432 1.00 70.32 C ATOM 720 CG LYS A 46 19.664 13.997 7.359 1.00 40.10 C ATOM 721 CD LYS A 46 19.638 14.525 5.925 1.00 30.30 C ATOM 722 CE LYS A 46 19.785 16.039 5.881 1.00 40.43 C ATOM 723 NZ LYS A 46 20.995 16.503 6.607 1.00 63.13 N ATOM 0 H LYS A 46 17.392 13.117 5.560 1.00 34.45 H new ATOM 0 HA LYS A 46 18.186 10.819 7.209 1.00 62.55 H new ATOM 0 HB2 LYS A 46 19.833 12.150 8.436 1.00 70.32 H new ATOM 0 HB3 LYS A 46 20.281 12.037 6.745 1.00 70.32 H new ATOM 0 HG2 LYS A 46 18.843 14.443 7.920 1.00 40.10 H new ATOM 0 HG3 LYS A 46 20.589 14.314 7.841 1.00 40.10 H new ATOM 0 HD2 LYS A 46 20.443 14.064 5.353 1.00 30.30 H new ATOM 0 HD3 LYS A 46 18.702 14.236 5.448 1.00 30.30 H new ATOM 0 HE2 LYS A 46 19.837 16.368 4.843 1.00 40.43 H new ATOM 0 HE3 LYS A 46 18.900 16.502 6.318 1.00 40.43 H new ATOM 0 HZ1 LYS A 46 21.378 17.349 6.139 1.00 63.13 H new ATOM 0 HZ2 LYS A 46 20.743 16.735 7.589 1.00 63.13 H new ATOM 0 HZ3 LYS A 46 21.713 15.750 6.602 1.00 63.13 H new ATOM 737 N ALA A 47 16.867 11.707 9.160 1.00 42.22 N ATOM 738 CA ALA A 47 15.823 12.053 10.134 1.00 74.12 C ATOM 739 C ALA A 47 16.176 13.295 10.969 1.00 2.35 C ATOM 740 O ALA A 47 15.289 14.003 11.447 1.00 44.41 O ATOM 741 CB ALA A 47 15.557 10.866 11.052 1.00 33.22 C ATOM 0 H ALA A 47 17.372 10.849 9.380 1.00 42.22 H new ATOM 0 HA ALA A 47 14.924 12.296 9.568 1.00 74.12 H new ATOM 0 HB1 ALA A 47 14.782 11.129 11.772 1.00 33.22 H new ATOM 0 HB2 ALA A 47 15.226 10.014 10.458 1.00 33.22 H new ATOM 0 HB3 ALA A 47 16.472 10.605 11.583 1.00 33.22 H new ATOM 747 N GLU A 48 17.471 13.568 11.130 1.00 52.45 N ATOM 748 CA GLU A 48 17.930 14.705 11.943 1.00 61.22 C ATOM 749 C GLU A 48 17.490 16.059 11.351 1.00 31.52 C ATOM 750 O GLU A 48 17.597 17.096 12.006 1.00 52.32 O ATOM 751 CB GLU A 48 19.461 14.654 12.118 1.00 43.13 C ATOM 752 CG GLU A 48 20.276 14.844 10.832 1.00 64.50 C ATOM 753 CD GLU A 48 20.497 16.305 10.456 1.00 71.34 C ATOM 754 OE1 GLU A 48 20.855 17.106 11.345 1.00 65.04 O ATOM 755 OE2 GLU A 48 20.325 16.657 9.270 1.00 4.25 O ATOM 0 H GLU A 48 18.223 13.021 10.711 1.00 52.45 H new ATOM 0 HA GLU A 48 17.459 14.619 12.922 1.00 61.22 H new ATOM 0 HB2 GLU A 48 19.754 15.424 12.831 1.00 43.13 H new ATOM 0 HB3 GLU A 48 19.728 13.693 12.559 1.00 43.13 H new ATOM 0 HG2 GLU A 48 21.245 14.358 10.951 1.00 64.50 H new ATOM 0 HG3 GLU A 48 19.766 14.340 10.011 1.00 64.50 H new ATOM 762 N LYS A 49 17.004 16.042 10.108 1.00 32.01 N ATOM 763 CA LYS A 49 16.514 17.257 9.445 1.00 1.03 C ATOM 764 C LYS A 49 15.022 17.117 9.074 1.00 62.51 C ATOM 765 O LYS A 49 14.514 17.813 8.194 1.00 13.24 O ATOM 766 CB LYS A 49 17.362 17.533 8.188 1.00 32.24 C ATOM 767 CG LYS A 49 17.168 18.925 7.580 1.00 50.12 C ATOM 768 CD LYS A 49 17.533 20.035 8.567 1.00 23.12 C ATOM 769 CE LYS A 49 19.013 20.010 8.945 1.00 14.30 C ATOM 770 NZ LYS A 49 19.332 21.024 9.983 1.00 62.20 N ATOM 0 H LYS A 49 16.938 15.199 9.537 1.00 32.01 H new ATOM 0 HA LYS A 49 16.608 18.098 10.132 1.00 1.03 H new ATOM 0 HB2 LYS A 49 18.415 17.405 8.441 1.00 32.24 H new ATOM 0 HB3 LYS A 49 17.122 16.785 7.433 1.00 32.24 H new ATOM 0 HG2 LYS A 49 17.783 19.019 6.685 1.00 50.12 H new ATOM 0 HG3 LYS A 49 16.130 19.043 7.268 1.00 50.12 H new ATOM 0 HD2 LYS A 49 17.288 21.003 8.129 1.00 23.12 H new ATOM 0 HD3 LYS A 49 16.928 19.931 9.468 1.00 23.12 H new ATOM 0 HE2 LYS A 49 19.278 19.018 9.311 1.00 14.30 H new ATOM 0 HE3 LYS A 49 19.618 20.195 8.058 1.00 14.30 H new ATOM 0 HZ1 LYS A 49 20.345 20.977 10.214 1.00 62.20 H new ATOM 0 HZ2 LYS A 49 19.102 21.973 9.624 1.00 62.20 H new ATOM 0 HZ3 LYS A 49 18.773 20.833 10.839 1.00 62.20 H new ATOM 784 N SER A 50 14.318 16.223 9.766 1.00 2.14 N ATOM 785 CA SER A 50 12.891 15.983 9.494 1.00 40.31 C ATOM 786 C SER A 50 12.016 16.314 10.708 1.00 71.30 C ATOM 787 O SER A 50 12.515 16.610 11.793 1.00 55.34 O ATOM 788 CB SER A 50 12.654 14.522 9.083 1.00 12.52 C ATOM 789 OG SER A 50 12.916 13.626 10.152 1.00 64.13 O ATOM 0 H SER A 50 14.705 15.652 10.517 1.00 2.14 H new ATOM 0 HA SER A 50 12.609 16.644 8.674 1.00 40.31 H new ATOM 0 HB2 SER A 50 11.623 14.400 8.751 1.00 12.52 H new ATOM 0 HB3 SER A 50 13.293 14.274 8.236 1.00 12.52 H new ATOM 0 HG SER A 50 13.747 13.887 10.602 1.00 64.13 H new ATOM 795 N GLU A 51 10.703 16.261 10.508 1.00 72.34 N ATOM 796 CA GLU A 51 9.727 16.501 11.577 1.00 43.23 C ATOM 797 C GLU A 51 9.115 15.178 12.073 1.00 22.33 C ATOM 798 O GLU A 51 9.068 14.911 13.276 1.00 22.34 O ATOM 799 CB GLU A 51 8.613 17.431 11.069 1.00 60.12 C ATOM 800 CG GLU A 51 9.085 18.837 10.701 1.00 21.55 C ATOM 801 CD GLU A 51 9.537 19.643 11.910 1.00 72.31 C ATOM 802 OE1 GLU A 51 8.708 19.870 12.812 1.00 20.30 O ATOM 803 OE2 GLU A 51 10.718 20.049 11.967 1.00 44.31 O ATOM 0 H GLU A 51 10.281 16.051 9.603 1.00 72.34 H new ATOM 0 HA GLU A 51 10.244 16.974 12.411 1.00 43.23 H new ATOM 0 HB2 GLU A 51 8.147 16.977 10.195 1.00 60.12 H new ATOM 0 HB3 GLU A 51 7.843 17.508 11.836 1.00 60.12 H new ATOM 0 HG2 GLU A 51 9.908 18.764 9.990 1.00 21.55 H new ATOM 0 HG3 GLU A 51 8.276 19.367 10.199 1.00 21.55 H new ATOM 810 N ALA A 52 8.652 14.356 11.130 1.00 31.50 N ATOM 811 CA ALA A 52 8.024 13.063 11.448 1.00 4.21 C ATOM 812 C ALA A 52 8.691 11.909 10.679 1.00 72.30 C ATOM 813 O ALA A 52 9.263 12.111 9.608 1.00 1.22 O ATOM 814 CB ALA A 52 6.530 13.118 11.139 1.00 34.12 C ATOM 0 H ALA A 52 8.699 14.561 10.132 1.00 31.50 H new ATOM 0 HA ALA A 52 8.162 12.872 12.512 1.00 4.21 H new ATOM 0 HB1 ALA A 52 6.074 12.157 11.377 1.00 34.12 H new ATOM 0 HB2 ALA A 52 6.063 13.900 11.738 1.00 34.12 H new ATOM 0 HB3 ALA A 52 6.385 13.336 10.081 1.00 34.12 H new ATOM 820 N ILE A 53 8.601 10.699 11.228 1.00 22.33 N ATOM 821 CA ILE A 53 9.234 9.514 10.631 1.00 63.42 C ATOM 822 C ILE A 53 8.208 8.403 10.341 1.00 64.32 C ATOM 823 O ILE A 53 7.487 7.964 11.234 1.00 52.23 O ATOM 824 CB ILE A 53 10.342 8.947 11.559 1.00 0.31 C ATOM 825 CG1 ILE A 53 11.491 9.957 11.705 1.00 31.32 C ATOM 826 CG2 ILE A 53 10.864 7.603 11.041 1.00 23.44 C ATOM 827 CD1 ILE A 53 12.621 9.473 12.590 1.00 2.41 C ATOM 0 H ILE A 53 8.093 10.508 12.092 1.00 22.33 H new ATOM 0 HA ILE A 53 9.677 9.838 9.689 1.00 63.42 H new ATOM 0 HB ILE A 53 9.904 8.777 12.542 1.00 0.31 H new ATOM 0 HG12 ILE A 53 11.889 10.186 10.716 1.00 31.32 H new ATOM 0 HG13 ILE A 53 11.095 10.887 12.113 1.00 31.32 H new ATOM 0 HG21 ILE A 53 11.639 7.231 11.711 1.00 23.44 H new ATOM 0 HG22 ILE A 53 10.044 6.886 11.000 1.00 23.44 H new ATOM 0 HG23 ILE A 53 11.281 7.735 10.043 1.00 23.44 H new ATOM 0 HD11 ILE A 53 13.394 10.239 12.645 1.00 2.41 H new ATOM 0 HD12 ILE A 53 12.239 9.271 13.591 1.00 2.41 H new ATOM 0 HD13 ILE A 53 13.045 8.560 12.172 1.00 2.41 H new ATOM 839 N ILE A 54 8.156 7.943 9.095 1.00 53.20 N ATOM 840 CA ILE A 54 7.257 6.849 8.711 1.00 50.25 C ATOM 841 C ILE A 54 8.008 5.505 8.681 1.00 43.31 C ATOM 842 O ILE A 54 8.797 5.235 7.776 1.00 24.23 O ATOM 843 CB ILE A 54 6.604 7.111 7.327 1.00 12.14 C ATOM 844 CG1 ILE A 54 5.832 8.444 7.346 1.00 23.05 C ATOM 845 CG2 ILE A 54 5.678 5.955 6.941 1.00 52.53 C ATOM 846 CD1 ILE A 54 5.172 8.794 6.027 1.00 14.30 C ATOM 0 H ILE A 54 8.724 8.308 8.330 1.00 53.20 H new ATOM 0 HA ILE A 54 6.469 6.801 9.463 1.00 50.25 H new ATOM 0 HB ILE A 54 7.393 7.179 6.578 1.00 12.14 H new ATOM 0 HG12 ILE A 54 5.068 8.398 8.122 1.00 23.05 H new ATOM 0 HG13 ILE A 54 6.518 9.245 7.621 1.00 23.05 H new ATOM 0 HG21 ILE A 54 5.230 6.157 5.968 1.00 52.53 H new ATOM 0 HG22 ILE A 54 6.252 5.030 6.891 1.00 52.53 H new ATOM 0 HG23 ILE A 54 4.891 5.854 7.689 1.00 52.53 H new ATOM 0 HD11 ILE A 54 4.649 9.746 6.123 1.00 14.30 H new ATOM 0 HD12 ILE A 54 5.932 8.874 5.250 1.00 14.30 H new ATOM 0 HD13 ILE A 54 4.459 8.014 5.758 1.00 14.30 H new ATOM 858 N GLN A 55 7.771 4.669 9.687 1.00 52.15 N ATOM 859 CA GLN A 55 8.434 3.364 9.782 1.00 71.10 C ATOM 860 C GLN A 55 7.506 2.235 9.313 1.00 34.34 C ATOM 861 O GLN A 55 6.639 1.783 10.061 1.00 3.30 O ATOM 862 CB GLN A 55 8.891 3.093 11.226 1.00 64.22 C ATOM 863 CG GLN A 55 9.660 1.785 11.391 1.00 74.34 C ATOM 864 CD GLN A 55 10.053 1.506 12.832 1.00 52.31 C ATOM 865 OE1 GLN A 55 11.116 1.909 13.292 1.00 2.24 O ATOM 866 NE2 GLN A 55 9.197 0.813 13.554 1.00 30.31 N ATOM 0 H GLN A 55 7.125 4.868 10.451 1.00 52.15 H new ATOM 0 HA GLN A 55 9.307 3.389 9.129 1.00 71.10 H new ATOM 0 HB2 GLN A 55 9.520 3.918 11.560 1.00 64.22 H new ATOM 0 HB3 GLN A 55 8.017 3.075 11.877 1.00 64.22 H new ATOM 0 HG2 GLN A 55 9.049 0.962 11.021 1.00 74.34 H new ATOM 0 HG3 GLN A 55 10.559 1.818 10.775 1.00 74.34 H new ATOM 0 HE21 GLN A 55 8.322 0.493 13.139 1.00 30.31 H new ATOM 0 HE22 GLN A 55 9.409 0.596 14.528 1.00 30.31 H new ATOM 875 N ILE A 56 7.683 1.787 8.076 1.00 64.11 N ATOM 876 CA ILE A 56 6.870 0.695 7.534 1.00 53.51 C ATOM 877 C ILE A 56 7.371 -0.655 8.086 1.00 71.04 C ATOM 878 O ILE A 56 8.558 -0.975 8.011 1.00 62.11 O ATOM 879 CB ILE A 56 6.858 0.726 5.970 1.00 24.33 C ATOM 880 CG1 ILE A 56 5.791 -0.227 5.375 1.00 41.10 C ATOM 881 CG2 ILE A 56 8.242 0.424 5.397 1.00 74.35 C ATOM 882 CD1 ILE A 56 6.189 -1.691 5.324 1.00 55.12 C ATOM 0 H ILE A 56 8.378 2.158 7.428 1.00 64.11 H new ATOM 0 HA ILE A 56 5.837 0.826 7.856 1.00 53.51 H new ATOM 0 HB ILE A 56 6.584 1.740 5.677 1.00 24.33 H new ATOM 0 HG12 ILE A 56 4.877 -0.136 5.962 1.00 41.10 H new ATOM 0 HG13 ILE A 56 5.554 0.104 4.364 1.00 41.10 H new ATOM 0 HG21 ILE A 56 8.199 0.453 4.308 1.00 74.35 H new ATOM 0 HG22 ILE A 56 8.954 1.169 5.752 1.00 74.35 H new ATOM 0 HG23 ILE A 56 8.562 -0.566 5.721 1.00 74.35 H new ATOM 0 HD11 ILE A 56 5.376 -2.274 4.892 1.00 55.12 H new ATOM 0 HD12 ILE A 56 7.083 -1.804 4.710 1.00 55.12 H new ATOM 0 HD13 ILE A 56 6.395 -2.047 6.333 1.00 55.12 H new ATOM 894 N VAL A 57 6.464 -1.429 8.676 1.00 40.25 N ATOM 895 CA VAL A 57 6.836 -2.669 9.367 1.00 13.21 C ATOM 896 C VAL A 57 6.945 -3.856 8.397 1.00 0.14 C ATOM 897 O VAL A 57 7.974 -4.531 8.344 1.00 12.20 O ATOM 898 CB VAL A 57 5.822 -3.004 10.491 1.00 33.51 C ATOM 899 CG1 VAL A 57 6.298 -4.198 11.317 1.00 21.22 C ATOM 900 CG2 VAL A 57 5.590 -1.784 11.384 1.00 42.14 C ATOM 0 H VAL A 57 5.465 -1.223 8.692 1.00 40.25 H new ATOM 0 HA VAL A 57 7.818 -2.501 9.810 1.00 13.21 H new ATOM 0 HB VAL A 57 4.874 -3.274 10.026 1.00 33.51 H new ATOM 0 HG11 VAL A 57 5.570 -4.413 12.099 1.00 21.22 H new ATOM 0 HG12 VAL A 57 6.404 -5.069 10.670 1.00 21.22 H new ATOM 0 HG13 VAL A 57 7.261 -3.965 11.772 1.00 21.22 H new ATOM 0 HG21 VAL A 57 4.876 -2.037 12.167 1.00 42.14 H new ATOM 0 HG22 VAL A 57 6.534 -1.480 11.838 1.00 42.14 H new ATOM 0 HG23 VAL A 57 5.195 -0.964 10.784 1.00 42.14 H new ATOM 910 N HIS A 58 5.880 -4.112 7.633 1.00 24.42 N ATOM 911 CA HIS A 58 5.880 -5.205 6.645 1.00 64.31 C ATOM 912 C HIS A 58 4.649 -5.162 5.723 1.00 64.21 C ATOM 913 O HIS A 58 3.556 -4.771 6.141 1.00 12.03 O ATOM 914 CB HIS A 58 5.982 -6.579 7.337 1.00 2.10 C ATOM 915 CG HIS A 58 5.091 -6.750 8.533 1.00 1.52 C ATOM 916 ND1 HIS A 58 5.571 -7.077 9.781 1.00 11.43 N ATOM 917 CD2 HIS A 58 3.747 -6.656 8.669 1.00 52.41 C ATOM 918 CE1 HIS A 58 4.570 -7.171 10.631 1.00 33.12 C ATOM 919 NE2 HIS A 58 3.454 -6.921 9.982 1.00 73.43 N ATOM 0 H HIS A 58 5.009 -3.583 7.675 1.00 24.42 H new ATOM 0 HA HIS A 58 6.761 -5.059 6.020 1.00 64.31 H new ATOM 0 HB2 HIS A 58 5.743 -7.355 6.610 1.00 2.10 H new ATOM 0 HB3 HIS A 58 7.015 -6.739 7.646 1.00 2.10 H new ATOM 0 HD2 HIS A 58 3.039 -6.417 7.889 1.00 52.41 H new ATOM 0 HE1 HIS A 58 4.651 -7.412 11.681 1.00 33.12 H new ATOM 0 HE2 HIS A 58 2.519 -6.924 10.390 1.00 73.43 H new ATOM 928 N ALA A 59 4.846 -5.566 4.466 1.00 53.35 N ATOM 929 CA ALA A 59 3.763 -5.637 3.476 1.00 43.00 C ATOM 930 C ALA A 59 3.541 -7.090 3.015 1.00 2.33 C ATOM 931 O ALA A 59 4.417 -7.693 2.392 1.00 42.34 O ATOM 932 CB ALA A 59 4.084 -4.740 2.283 1.00 3.43 C ATOM 0 H ALA A 59 5.756 -5.853 4.104 1.00 53.35 H new ATOM 0 HA ALA A 59 2.843 -5.285 3.942 1.00 43.00 H new ATOM 0 HB1 ALA A 59 3.275 -4.800 1.555 1.00 3.43 H new ATOM 0 HB2 ALA A 59 4.192 -3.710 2.621 1.00 3.43 H new ATOM 0 HB3 ALA A 59 5.014 -5.069 1.820 1.00 3.43 H new ATOM 938 N ILE A 60 2.372 -7.650 3.331 1.00 33.14 N ATOM 939 CA ILE A 60 2.076 -9.061 3.032 1.00 11.31 C ATOM 940 C ILE A 60 1.222 -9.199 1.761 1.00 11.12 C ATOM 941 O ILE A 60 0.186 -8.553 1.625 1.00 20.05 O ATOM 942 CB ILE A 60 1.336 -9.762 4.208 1.00 52.22 C ATOM 943 CG1 ILE A 60 2.168 -9.719 5.506 1.00 35.32 C ATOM 944 CG2 ILE A 60 0.999 -11.210 3.849 1.00 32.24 C ATOM 945 CD1 ILE A 60 2.216 -8.361 6.175 1.00 40.31 C ATOM 0 H ILE A 60 1.612 -7.152 3.794 1.00 33.14 H new ATOM 0 HA ILE A 60 3.040 -9.547 2.879 1.00 11.31 H new ATOM 0 HB ILE A 60 0.409 -9.216 4.382 1.00 52.22 H new ATOM 0 HG12 ILE A 60 1.758 -10.443 6.210 1.00 35.32 H new ATOM 0 HG13 ILE A 60 3.186 -10.036 5.281 1.00 35.32 H new ATOM 0 HG21 ILE A 60 0.482 -11.681 4.685 1.00 32.24 H new ATOM 0 HG22 ILE A 60 0.356 -11.226 2.969 1.00 32.24 H new ATOM 0 HG23 ILE A 60 1.918 -11.756 3.637 1.00 32.24 H new ATOM 0 HD11 ILE A 60 2.822 -8.422 7.079 1.00 40.31 H new ATOM 0 HD12 ILE A 60 2.656 -7.634 5.492 1.00 40.31 H new ATOM 0 HD13 ILE A 60 1.205 -8.048 6.436 1.00 40.31 H new ATOM 957 N ARG A 61 1.659 -10.052 0.839 1.00 62.54 N ATOM 958 CA ARG A 61 0.933 -10.290 -0.413 1.00 61.41 C ATOM 959 C ARG A 61 0.558 -11.776 -0.552 1.00 22.13 C ATOM 960 O ARG A 61 1.409 -12.611 -0.868 1.00 70.52 O ATOM 961 CB ARG A 61 1.809 -9.860 -1.598 1.00 55.25 C ATOM 962 CG ARG A 61 1.162 -10.060 -2.965 1.00 70.31 C ATOM 963 CD ARG A 61 2.198 -9.984 -4.080 1.00 41.13 C ATOM 964 NE ARG A 61 3.223 -11.016 -3.930 1.00 52.35 N ATOM 965 CZ ARG A 61 4.450 -10.920 -4.369 1.00 41.35 C ATOM 966 NH1 ARG A 61 4.845 -9.874 -5.024 1.00 1.32 N ATOM 967 NH2 ARG A 61 5.278 -11.884 -4.155 1.00 54.41 N ATOM 0 H ARG A 61 2.517 -10.595 0.933 1.00 62.54 H new ATOM 0 HA ARG A 61 0.014 -9.705 -0.403 1.00 61.41 H new ATOM 0 HB2 ARG A 61 2.065 -8.807 -1.481 1.00 55.25 H new ATOM 0 HB3 ARG A 61 2.743 -10.421 -1.566 1.00 55.25 H new ATOM 0 HG2 ARG A 61 0.661 -11.028 -2.995 1.00 70.31 H new ATOM 0 HG3 ARG A 61 0.397 -9.300 -3.123 1.00 70.31 H new ATOM 0 HD2 ARG A 61 1.704 -10.098 -5.045 1.00 41.13 H new ATOM 0 HD3 ARG A 61 2.667 -9.000 -4.076 1.00 41.13 H new ATOM 0 HE ARG A 61 2.961 -11.875 -3.447 1.00 52.35 H new ATOM 0 HH11 ARG A 61 4.194 -9.109 -5.204 1.00 1.32 H new ATOM 0 HH12 ARG A 61 5.806 -9.815 -5.360 1.00 1.32 H new ATOM 0 HH21 ARG A 61 4.974 -12.714 -3.646 1.00 54.41 H new ATOM 0 HH22 ARG A 61 6.238 -11.817 -4.494 1.00 54.41 H new ATOM 981 N GLU A 62 -0.713 -12.107 -0.322 1.00 44.42 N ATOM 982 CA GLU A 62 -1.171 -13.504 -0.376 1.00 21.32 C ATOM 983 C GLU A 62 -2.270 -13.712 -1.433 1.00 62.32 C ATOM 984 O GLU A 62 -3.016 -12.792 -1.775 1.00 71.24 O ATOM 985 CB GLU A 62 -1.694 -13.945 0.998 1.00 53.53 C ATOM 986 CG GLU A 62 -0.681 -13.791 2.124 1.00 50.25 C ATOM 987 CD GLU A 62 -1.249 -14.189 3.475 1.00 61.20 C ATOM 988 OE1 GLU A 62 -1.922 -13.354 4.116 1.00 70.33 O ATOM 989 OE2 GLU A 62 -1.031 -15.342 3.904 1.00 25.31 O ATOM 0 H GLU A 62 -1.445 -11.433 -0.097 1.00 44.42 H new ATOM 0 HA GLU A 62 -0.312 -14.113 -0.659 1.00 21.32 H new ATOM 0 HB2 GLU A 62 -2.583 -13.363 1.241 1.00 53.53 H new ATOM 0 HB3 GLU A 62 -2.002 -14.989 0.940 1.00 53.53 H new ATOM 0 HG2 GLU A 62 0.195 -14.403 1.907 1.00 50.25 H new ATOM 0 HG3 GLU A 62 -0.344 -12.755 2.166 1.00 50.25 H new ATOM 996 N LYS A 63 -2.359 -14.936 -1.950 1.00 43.40 N ATOM 997 CA LYS A 63 -3.395 -15.308 -2.921 1.00 24.21 C ATOM 998 C LYS A 63 -4.267 -16.454 -2.379 1.00 54.04 C ATOM 999 O LYS A 63 -3.773 -17.324 -1.654 1.00 30.02 O ATOM 1000 CB LYS A 63 -2.747 -15.739 -4.243 1.00 74.04 C ATOM 1001 CG LYS A 63 -1.816 -14.697 -4.856 1.00 3.33 C ATOM 1002 CD LYS A 63 -1.286 -15.154 -6.214 1.00 1.41 C ATOM 1003 CE LYS A 63 -0.334 -14.139 -6.836 1.00 71.42 C ATOM 1004 NZ LYS A 63 0.963 -14.059 -6.106 1.00 33.40 N ATOM 0 H LYS A 63 -1.721 -15.696 -1.712 1.00 43.40 H new ATOM 0 HA LYS A 63 -4.028 -14.437 -3.092 1.00 24.21 H new ATOM 0 HB2 LYS A 63 -2.185 -16.658 -4.076 1.00 74.04 H new ATOM 0 HB3 LYS A 63 -3.534 -15.973 -4.960 1.00 74.04 H new ATOM 0 HG2 LYS A 63 -2.349 -13.753 -4.971 1.00 3.33 H new ATOM 0 HG3 LYS A 63 -0.980 -14.511 -4.181 1.00 3.33 H new ATOM 0 HD2 LYS A 63 -0.771 -16.108 -6.098 1.00 1.41 H new ATOM 0 HD3 LYS A 63 -2.124 -15.324 -6.890 1.00 1.41 H new ATOM 0 HE2 LYS A 63 -0.147 -14.409 -7.875 1.00 71.42 H new ATOM 0 HE3 LYS A 63 -0.807 -13.157 -6.841 1.00 71.42 H new ATOM 0 HZ1 LYS A 63 1.602 -13.407 -6.604 1.00 33.40 H new ATOM 0 HZ2 LYS A 63 0.797 -13.711 -5.140 1.00 33.40 H new ATOM 0 HZ3 LYS A 63 1.396 -15.003 -6.064 1.00 33.40 H new ATOM 1018 N ARG A 64 -5.555 -16.460 -2.731 1.00 51.03 N ATOM 1019 CA ARG A 64 -6.475 -17.505 -2.254 1.00 2.41 C ATOM 1020 C ARG A 64 -7.727 -17.629 -3.143 1.00 50.35 C ATOM 1021 O ARG A 64 -7.969 -16.799 -4.016 1.00 71.14 O ATOM 1022 CB ARG A 64 -6.890 -17.207 -0.806 1.00 62.03 C ATOM 1023 CG ARG A 64 -7.634 -15.886 -0.639 1.00 5.20 C ATOM 1024 CD ARG A 64 -7.828 -15.526 0.830 1.00 11.24 C ATOM 1025 NE ARG A 64 -8.663 -14.340 0.995 1.00 4.51 N ATOM 1026 CZ ARG A 64 -8.558 -13.485 1.974 1.00 25.21 C ATOM 1027 NH1 ARG A 64 -7.640 -13.607 2.879 1.00 20.51 N ATOM 1028 NH2 ARG A 64 -9.372 -12.486 2.032 1.00 41.02 N ATOM 0 H ARG A 64 -5.985 -15.762 -3.338 1.00 51.03 H new ATOM 0 HA ARG A 64 -5.946 -18.457 -2.302 1.00 2.41 H new ATOM 0 HB2 ARG A 64 -7.523 -18.018 -0.445 1.00 62.03 H new ATOM 0 HB3 ARG A 64 -5.999 -17.194 -0.178 1.00 62.03 H new ATOM 0 HG2 ARG A 64 -7.079 -15.091 -1.138 1.00 5.20 H new ATOM 0 HG3 ARG A 64 -8.606 -15.952 -1.128 1.00 5.20 H new ATOM 0 HD2 ARG A 64 -8.285 -16.367 1.352 1.00 11.24 H new ATOM 0 HD3 ARG A 64 -6.856 -15.353 1.293 1.00 11.24 H new ATOM 0 HE ARG A 64 -9.382 -14.167 0.292 1.00 4.51 H new ATOM 0 HH11 ARG A 64 -6.980 -14.384 2.835 1.00 20.51 H new ATOM 0 HH12 ARG A 64 -7.576 -12.926 3.636 1.00 20.51 H new ATOM 0 HH21 ARG A 64 -10.089 -12.370 1.316 1.00 41.02 H new ATOM 0 HH22 ARG A 64 -9.298 -11.812 2.794 1.00 41.02 H new ATOM 1042 N ILE A 65 -8.520 -18.675 -2.909 1.00 75.33 N ATOM 1043 CA ILE A 65 -9.761 -18.900 -3.665 1.00 22.33 C ATOM 1044 C ILE A 65 -10.982 -18.277 -2.970 1.00 34.25 C ATOM 1045 O ILE A 65 -11.186 -18.450 -1.768 1.00 62.25 O ATOM 1046 CB ILE A 65 -10.016 -20.421 -3.891 1.00 13.52 C ATOM 1047 CG1 ILE A 65 -9.156 -20.939 -5.050 1.00 11.20 C ATOM 1048 CG2 ILE A 65 -11.497 -20.714 -4.150 1.00 43.31 C ATOM 1049 CD1 ILE A 65 -9.504 -20.311 -6.385 1.00 13.32 C ATOM 0 H ILE A 65 -8.328 -19.384 -2.201 1.00 75.33 H new ATOM 0 HA ILE A 65 -9.627 -18.410 -4.629 1.00 22.33 H new ATOM 0 HB ILE A 65 -9.732 -20.944 -2.978 1.00 13.52 H new ATOM 0 HG12 ILE A 65 -8.106 -20.746 -4.829 1.00 11.20 H new ATOM 0 HG13 ILE A 65 -9.272 -22.020 -5.124 1.00 11.20 H new ATOM 0 HG21 ILE A 65 -11.635 -21.784 -4.303 1.00 43.31 H new ATOM 0 HG22 ILE A 65 -12.087 -20.391 -3.292 1.00 43.31 H new ATOM 0 HG23 ILE A 65 -11.824 -20.175 -5.039 1.00 43.31 H new ATOM 0 HD11 ILE A 65 -8.858 -20.723 -7.160 1.00 13.32 H new ATOM 0 HD12 ILE A 65 -10.545 -20.526 -6.628 1.00 13.32 H new ATOM 0 HD13 ILE A 65 -9.360 -19.232 -6.328 1.00 13.32 H new ATOM 1061 N LEU A 66 -11.791 -17.558 -3.743 1.00 5.11 N ATOM 1062 CA LEU A 66 -13.051 -17.001 -3.246 1.00 50.05 C ATOM 1063 C LEU A 66 -14.204 -17.997 -3.453 1.00 70.50 C ATOM 1064 O LEU A 66 -14.988 -18.261 -2.540 1.00 2.42 O ATOM 1065 CB LEU A 66 -13.374 -15.689 -3.970 1.00 72.20 C ATOM 1066 CG LEU A 66 -14.540 -14.884 -3.370 1.00 23.41 C ATOM 1067 CD1 LEU A 66 -14.149 -14.305 -2.012 1.00 11.44 C ATOM 1068 CD2 LEU A 66 -14.986 -13.779 -4.324 1.00 11.22 C ATOM 0 H LEU A 66 -11.597 -17.345 -4.722 1.00 5.11 H new ATOM 0 HA LEU A 66 -12.938 -16.807 -2.179 1.00 50.05 H new ATOM 0 HB2 LEU A 66 -12.482 -15.063 -3.970 1.00 72.20 H new ATOM 0 HB3 LEU A 66 -13.605 -15.914 -5.011 1.00 72.20 H new ATOM 0 HG LEU A 66 -15.382 -15.561 -3.223 1.00 23.41 H new ATOM 0 HD11 LEU A 66 -14.986 -13.739 -1.603 1.00 11.44 H new ATOM 0 HD12 LEU A 66 -13.892 -15.116 -1.331 1.00 11.44 H new ATOM 0 HD13 LEU A 66 -13.289 -13.646 -2.131 1.00 11.44 H new ATOM 0 HD21 LEU A 66 -15.811 -13.224 -3.878 1.00 11.22 H new ATOM 0 HD22 LEU A 66 -14.153 -13.102 -4.511 1.00 11.22 H new ATOM 0 HD23 LEU A 66 -15.313 -14.221 -5.265 1.00 11.22 H new ATOM 1080 N SER A 67 -14.294 -18.546 -4.666 1.00 65.13 N ATOM 1081 CA SER A 67 -15.370 -19.485 -5.026 1.00 24.12 C ATOM 1082 C SER A 67 -14.885 -20.528 -6.046 1.00 11.42 C ATOM 1083 O SER A 67 -14.024 -20.241 -6.884 1.00 25.43 O ATOM 1084 CB SER A 67 -16.568 -18.719 -5.607 1.00 63.30 C ATOM 1085 OG SER A 67 -16.191 -17.955 -6.744 1.00 63.14 O ATOM 0 H SER A 67 -13.634 -18.359 -5.421 1.00 65.13 H new ATOM 0 HA SER A 67 -15.673 -20.006 -4.118 1.00 24.12 H new ATOM 0 HB2 SER A 67 -17.353 -19.423 -5.883 1.00 63.30 H new ATOM 0 HB3 SER A 67 -16.985 -18.060 -4.845 1.00 63.30 H new ATOM 0 HG SER A 67 -16.480 -17.026 -6.625 1.00 63.14 H new ATOM 1091 N LEU A 68 -15.437 -21.742 -5.969 1.00 50.45 N ATOM 1092 CA LEU A 68 -15.075 -22.825 -6.900 1.00 40.34 C ATOM 1093 C LEU A 68 -16.210 -23.147 -7.889 1.00 61.34 C ATOM 1094 O LEU A 68 -17.393 -23.021 -7.565 1.00 12.23 O ATOM 1095 CB LEU A 68 -14.703 -24.095 -6.118 1.00 21.42 C ATOM 1096 CG LEU A 68 -13.420 -23.999 -5.273 1.00 33.54 C ATOM 1097 CD1 LEU A 68 -13.176 -25.300 -4.513 1.00 41.01 C ATOM 1098 CD2 LEU A 68 -12.218 -23.655 -6.155 1.00 2.41 C ATOM 0 H LEU A 68 -16.136 -22.004 -5.274 1.00 50.45 H new ATOM 0 HA LEU A 68 -14.218 -22.478 -7.476 1.00 40.34 H new ATOM 0 HB2 LEU A 68 -15.533 -24.352 -5.460 1.00 21.42 H new ATOM 0 HB3 LEU A 68 -14.591 -24.917 -6.825 1.00 21.42 H new ATOM 0 HG LEU A 68 -13.550 -23.198 -4.545 1.00 33.54 H new ATOM 0 HD11 LEU A 68 -12.264 -25.211 -3.922 1.00 41.01 H new ATOM 0 HD12 LEU A 68 -14.019 -25.499 -3.851 1.00 41.01 H new ATOM 0 HD13 LEU A 68 -13.070 -26.121 -5.222 1.00 41.01 H new ATOM 0 HD21 LEU A 68 -11.321 -23.592 -5.539 1.00 2.41 H new ATOM 0 HD22 LEU A 68 -12.086 -24.431 -6.909 1.00 2.41 H new ATOM 0 HD23 LEU A 68 -12.389 -22.697 -6.646 1.00 2.41 H new ATOM 1110 N SER A 69 -15.833 -23.550 -9.099 1.00 12.44 N ATOM 1111 CA SER A 69 -16.791 -23.988 -10.130 1.00 20.35 C ATOM 1112 C SER A 69 -16.843 -25.515 -10.205 1.00 12.41 C ATOM 1113 O SER A 69 -15.812 -26.177 -10.094 1.00 44.22 O ATOM 1114 CB SER A 69 -16.404 -23.424 -11.506 1.00 63.34 C ATOM 1115 OG SER A 69 -17.302 -23.860 -12.517 1.00 42.03 O ATOM 0 H SER A 69 -14.859 -23.585 -9.400 1.00 12.44 H new ATOM 0 HA SER A 69 -17.775 -23.609 -9.852 1.00 20.35 H new ATOM 0 HB2 SER A 69 -16.400 -22.335 -11.466 1.00 63.34 H new ATOM 0 HB3 SER A 69 -15.391 -23.738 -11.757 1.00 63.34 H new ATOM 0 HG SER A 69 -17.031 -23.483 -13.380 1.00 42.03 H new ATOM 1121 N GLU A 70 -18.043 -26.072 -10.376 1.00 53.03 N ATOM 1122 CA GLU A 70 -18.223 -27.531 -10.460 1.00 5.24 C ATOM 1123 C GLU A 70 -17.655 -28.249 -9.218 1.00 61.30 C ATOM 1124 O GLU A 70 -17.386 -29.452 -9.247 1.00 3.42 O ATOM 1125 CB GLU A 70 -17.561 -28.071 -11.742 1.00 12.43 C ATOM 1126 CG GLU A 70 -18.087 -27.437 -13.031 1.00 12.52 C ATOM 1127 CD GLU A 70 -19.541 -27.784 -13.316 1.00 30.44 C ATOM 1128 OE1 GLU A 70 -20.443 -27.159 -12.717 1.00 61.14 O ATOM 1129 OE2 GLU A 70 -19.794 -28.694 -14.134 1.00 23.22 O ATOM 0 H GLU A 70 -18.908 -25.538 -10.460 1.00 53.03 H new ATOM 0 HA GLU A 70 -19.293 -27.735 -10.495 1.00 5.24 H new ATOM 0 HB2 GLU A 70 -16.486 -27.905 -11.681 1.00 12.43 H new ATOM 0 HB3 GLU A 70 -17.715 -29.149 -11.791 1.00 12.43 H new ATOM 0 HG2 GLU A 70 -17.984 -26.354 -12.964 1.00 12.52 H new ATOM 0 HG3 GLU A 70 -17.471 -27.765 -13.868 1.00 12.52 H new ATOM 1136 N SER A 71 -17.493 -27.492 -8.126 1.00 60.55 N ATOM 1137 CA SER A 71 -16.952 -28.014 -6.858 1.00 23.02 C ATOM 1138 C SER A 71 -15.476 -28.451 -6.986 1.00 62.14 C ATOM 1139 O SER A 71 -14.941 -29.125 -6.103 1.00 1.43 O ATOM 1140 CB SER A 71 -17.813 -29.185 -6.344 1.00 40.03 C ATOM 1141 OG SER A 71 -17.468 -29.550 -5.012 1.00 4.02 O ATOM 0 H SER A 71 -17.732 -26.501 -8.093 1.00 60.55 H new ATOM 0 HA SER A 71 -16.988 -27.198 -6.136 1.00 23.02 H new ATOM 0 HB2 SER A 71 -18.866 -28.906 -6.383 1.00 40.03 H new ATOM 0 HB3 SER A 71 -17.686 -30.045 -7.001 1.00 40.03 H new ATOM 0 HG SER A 71 -16.498 -29.475 -4.893 1.00 4.02 H new ATOM 1147 N GLY A 72 -14.813 -28.044 -8.071 1.00 24.12 N ATOM 1148 CA GLY A 72 -13.412 -28.417 -8.287 1.00 42.12 C ATOM 1149 C GLY A 72 -12.627 -27.387 -9.102 1.00 5.23 C ATOM 1150 O GLY A 72 -11.484 -27.059 -8.768 1.00 42.44 O ATOM 0 H GLY A 72 -15.217 -27.463 -8.806 1.00 24.12 H new ATOM 0 HA2 GLY A 72 -12.926 -28.551 -7.320 1.00 42.12 H new ATOM 0 HA3 GLY A 72 -13.375 -29.379 -8.798 1.00 42.12 H new ATOM 1154 N ARG A 73 -13.228 -26.890 -10.183 1.00 15.42 N ATOM 1155 CA ARG A 73 -12.607 -25.851 -11.016 1.00 61.43 C ATOM 1156 C ARG A 73 -12.571 -24.497 -10.275 1.00 71.12 C ATOM 1157 O ARG A 73 -13.251 -24.316 -9.269 1.00 41.54 O ATOM 1158 CB ARG A 73 -13.389 -25.711 -12.333 1.00 3.12 C ATOM 1159 CG ARG A 73 -12.609 -25.052 -13.476 1.00 14.20 C ATOM 1160 CD ARG A 73 -11.644 -26.029 -14.152 1.00 31.24 C ATOM 1161 NE ARG A 73 -10.614 -26.537 -13.243 1.00 15.13 N ATOM 1162 CZ ARG A 73 -9.881 -27.592 -13.480 1.00 43.13 C ATOM 1163 NH1 ARG A 73 -9.965 -28.215 -14.612 1.00 5.11 N ATOM 1164 NH2 ARG A 73 -9.040 -28.006 -12.593 1.00 3.32 N ATOM 0 H ARG A 73 -14.148 -27.189 -10.506 1.00 15.42 H new ATOM 0 HA ARG A 73 -11.580 -26.146 -11.232 1.00 61.43 H new ATOM 0 HB2 ARG A 73 -13.711 -26.701 -12.655 1.00 3.12 H new ATOM 0 HB3 ARG A 73 -14.291 -25.128 -12.144 1.00 3.12 H new ATOM 0 HG2 ARG A 73 -13.309 -24.664 -14.216 1.00 14.20 H new ATOM 0 HG3 ARG A 73 -12.050 -24.200 -13.089 1.00 14.20 H new ATOM 0 HD2 ARG A 73 -12.210 -26.868 -14.557 1.00 31.24 H new ATOM 0 HD3 ARG A 73 -11.164 -25.532 -14.995 1.00 31.24 H new ATOM 0 HE ARG A 73 -10.459 -26.035 -12.369 1.00 15.13 H new ATOM 0 HH11 ARG A 73 -10.609 -27.883 -15.330 1.00 5.11 H new ATOM 0 HH12 ARG A 73 -9.387 -29.038 -14.785 1.00 5.11 H new ATOM 0 HH21 ARG A 73 -8.948 -27.509 -11.707 1.00 3.32 H new ATOM 0 HH22 ARG A 73 -8.468 -28.830 -12.778 1.00 3.32 H new ATOM 1178 N VAL A 74 -11.780 -23.550 -10.772 1.00 61.12 N ATOM 1179 CA VAL A 74 -11.673 -22.224 -10.145 1.00 52.33 C ATOM 1180 C VAL A 74 -12.663 -21.209 -10.752 1.00 2.15 C ATOM 1181 O VAL A 74 -12.847 -21.149 -11.969 1.00 33.33 O ATOM 1182 CB VAL A 74 -10.230 -21.666 -10.269 1.00 45.22 C ATOM 1183 CG1 VAL A 74 -10.140 -20.228 -9.758 1.00 50.44 C ATOM 1184 CG2 VAL A 74 -9.241 -22.569 -9.528 1.00 32.14 C ATOM 0 H VAL A 74 -11.203 -23.670 -11.604 1.00 61.12 H new ATOM 0 HA VAL A 74 -11.924 -22.360 -9.093 1.00 52.33 H new ATOM 0 HB VAL A 74 -9.966 -21.656 -11.326 1.00 45.22 H new ATOM 0 HG11 VAL A 74 -9.116 -19.869 -9.860 1.00 50.44 H new ATOM 0 HG12 VAL A 74 -10.807 -19.592 -10.341 1.00 50.44 H new ATOM 0 HG13 VAL A 74 -10.433 -20.196 -8.709 1.00 50.44 H new ATOM 0 HG21 VAL A 74 -8.234 -22.163 -9.625 1.00 32.14 H new ATOM 0 HG22 VAL A 74 -9.512 -22.618 -8.473 1.00 32.14 H new ATOM 0 HG23 VAL A 74 -9.271 -23.571 -9.957 1.00 32.14 H new ATOM 1194 N ARG A 75 -13.315 -20.431 -9.886 1.00 73.50 N ATOM 1195 CA ARG A 75 -14.169 -19.312 -10.321 1.00 50.13 C ATOM 1196 C ARG A 75 -13.456 -17.965 -10.137 1.00 1.44 C ATOM 1197 O ARG A 75 -13.091 -17.292 -11.104 1.00 64.43 O ATOM 1198 CB ARG A 75 -15.477 -19.282 -9.515 1.00 54.34 C ATOM 1199 CG ARG A 75 -16.525 -20.295 -9.951 1.00 13.11 C ATOM 1200 CD ARG A 75 -17.827 -20.121 -9.167 1.00 64.11 C ATOM 1201 NE ARG A 75 -18.914 -20.950 -9.690 1.00 41.40 N ATOM 1202 CZ ARG A 75 -20.001 -20.474 -10.241 1.00 15.04 C ATOM 1203 NH1 ARG A 75 -20.183 -19.196 -10.355 1.00 43.14 N ATOM 1204 NH2 ARG A 75 -20.911 -21.282 -10.671 1.00 20.54 N ATOM 0 H ARG A 75 -13.271 -20.552 -8.874 1.00 73.50 H new ATOM 0 HA ARG A 75 -14.386 -19.467 -11.378 1.00 50.13 H new ATOM 0 HB2 ARG A 75 -15.243 -19.454 -8.464 1.00 54.34 H new ATOM 0 HB3 ARG A 75 -15.907 -18.283 -9.587 1.00 54.34 H new ATOM 0 HG2 ARG A 75 -16.722 -20.181 -11.017 1.00 13.11 H new ATOM 0 HG3 ARG A 75 -16.141 -21.305 -9.803 1.00 13.11 H new ATOM 0 HD2 ARG A 75 -17.653 -20.374 -8.121 1.00 64.11 H new ATOM 0 HD3 ARG A 75 -18.127 -19.074 -9.196 1.00 64.11 H new ATOM 0 HE ARG A 75 -18.818 -21.963 -9.620 1.00 41.40 H new ATOM 0 HH11 ARG A 75 -19.474 -18.547 -10.013 1.00 43.14 H new ATOM 0 HH12 ARG A 75 -21.035 -18.839 -10.787 1.00 43.14 H new ATOM 0 HH21 ARG A 75 -20.782 -22.290 -10.581 1.00 20.54 H new ATOM 0 HH22 ARG A 75 -21.759 -20.913 -11.101 1.00 20.54 H new ATOM 1218 N GLU A 76 -13.280 -17.582 -8.875 1.00 32.52 N ATOM 1219 CA GLU A 76 -12.701 -16.284 -8.523 1.00 5.44 C ATOM 1220 C GLU A 76 -11.469 -16.451 -7.621 1.00 2.21 C ATOM 1221 O GLU A 76 -11.537 -17.088 -6.566 1.00 2.03 O ATOM 1222 CB GLU A 76 -13.757 -15.423 -7.816 1.00 51.55 C ATOM 1223 CG GLU A 76 -15.041 -15.247 -8.623 1.00 54.41 C ATOM 1224 CD GLU A 76 -16.106 -14.457 -7.880 1.00 13.21 C ATOM 1225 OE1 GLU A 76 -16.780 -15.038 -7.001 1.00 50.22 O ATOM 1226 OE2 GLU A 76 -16.289 -13.260 -8.185 1.00 42.45 O ATOM 0 H GLU A 76 -13.532 -18.157 -8.071 1.00 32.52 H new ATOM 0 HA GLU A 76 -12.381 -15.790 -9.441 1.00 5.44 H new ATOM 0 HB2 GLU A 76 -14.001 -15.877 -6.856 1.00 51.55 H new ATOM 0 HB3 GLU A 76 -13.332 -14.441 -7.606 1.00 51.55 H new ATOM 0 HG2 GLU A 76 -14.808 -14.741 -9.560 1.00 54.41 H new ATOM 0 HG3 GLU A 76 -15.439 -16.228 -8.881 1.00 54.41 H new ATOM 1233 N PHE A 77 -10.350 -15.879 -8.049 1.00 1.30 N ATOM 1234 CA PHE A 77 -9.091 -15.942 -7.301 1.00 21.23 C ATOM 1235 C PHE A 77 -8.861 -14.623 -6.543 1.00 62.23 C ATOM 1236 O PHE A 77 -8.539 -13.600 -7.147 1.00 11.52 O ATOM 1237 CB PHE A 77 -7.937 -16.215 -8.283 1.00 1.13 C ATOM 1238 CG PHE A 77 -6.696 -16.796 -7.648 1.00 24.33 C ATOM 1239 CD1 PHE A 77 -6.758 -18.018 -6.993 1.00 30.43 C ATOM 1240 CD2 PHE A 77 -5.469 -16.143 -7.722 1.00 10.01 C ATOM 1241 CE1 PHE A 77 -5.631 -18.576 -6.425 1.00 74.30 C ATOM 1242 CE2 PHE A 77 -4.341 -16.702 -7.150 1.00 75.52 C ATOM 1243 CZ PHE A 77 -4.423 -17.920 -6.502 1.00 3.43 C ATOM 0 H PHE A 77 -10.285 -15.358 -8.923 1.00 1.30 H new ATOM 0 HA PHE A 77 -9.136 -16.749 -6.569 1.00 21.23 H new ATOM 0 HB2 PHE A 77 -8.289 -16.899 -9.055 1.00 1.13 H new ATOM 0 HB3 PHE A 77 -7.672 -15.282 -8.780 1.00 1.13 H new ATOM 0 HD1 PHE A 77 -7.701 -18.539 -6.927 1.00 30.43 H new ATOM 0 HD2 PHE A 77 -5.397 -15.193 -8.230 1.00 10.01 H new ATOM 0 HE1 PHE A 77 -5.697 -19.528 -5.920 1.00 74.30 H new ATOM 0 HE2 PHE A 77 -3.394 -16.186 -7.210 1.00 75.52 H new ATOM 0 HZ PHE A 77 -3.541 -18.356 -6.057 1.00 3.43 H new ATOM 1253 N GLU A 78 -9.046 -14.638 -5.225 1.00 34.22 N ATOM 1254 CA GLU A 78 -8.959 -13.406 -4.431 1.00 45.22 C ATOM 1255 C GLU A 78 -7.510 -13.074 -4.044 1.00 42.23 C ATOM 1256 O GLU A 78 -6.793 -13.898 -3.466 1.00 62.42 O ATOM 1257 CB GLU A 78 -9.834 -13.495 -3.172 1.00 61.52 C ATOM 1258 CG GLU A 78 -9.773 -12.235 -2.306 1.00 2.34 C ATOM 1259 CD GLU A 78 -10.837 -12.190 -1.221 1.00 2.13 C ATOM 1260 OE1 GLU A 78 -10.767 -13.006 -0.282 1.00 71.02 O ATOM 1261 OE2 GLU A 78 -11.732 -11.319 -1.293 1.00 51.33 O ATOM 0 H GLU A 78 -9.255 -15.478 -4.685 1.00 34.22 H new ATOM 0 HA GLU A 78 -9.332 -12.598 -5.061 1.00 45.22 H new ATOM 0 HB2 GLU A 78 -10.868 -13.675 -3.468 1.00 61.52 H new ATOM 0 HB3 GLU A 78 -9.518 -14.352 -2.578 1.00 61.52 H new ATOM 0 HG2 GLU A 78 -8.789 -12.171 -1.841 1.00 2.34 H new ATOM 0 HG3 GLU A 78 -9.881 -11.359 -2.946 1.00 2.34 H new ATOM 1268 N LEU A 79 -7.093 -11.857 -4.379 1.00 22.33 N ATOM 1269 CA LEU A 79 -5.768 -11.347 -4.023 1.00 14.22 C ATOM 1270 C LEU A 79 -5.859 -10.476 -2.759 1.00 23.24 C ATOM 1271 O LEU A 79 -6.529 -9.443 -2.763 1.00 60.53 O ATOM 1272 CB LEU A 79 -5.205 -10.516 -5.190 1.00 41.45 C ATOM 1273 CG LEU A 79 -5.211 -11.214 -6.564 1.00 21.55 C ATOM 1274 CD1 LEU A 79 -4.739 -10.262 -7.664 1.00 32.22 C ATOM 1275 CD2 LEU A 79 -4.349 -12.476 -6.535 1.00 2.51 C ATOM 0 H LEU A 79 -7.662 -11.194 -4.905 1.00 22.33 H new ATOM 0 HA LEU A 79 -5.104 -12.188 -3.824 1.00 14.22 H new ATOM 0 HB2 LEU A 79 -5.781 -9.594 -5.268 1.00 41.45 H new ATOM 0 HB3 LEU A 79 -4.180 -10.232 -4.950 1.00 41.45 H new ATOM 0 HG LEU A 79 -6.237 -11.506 -6.788 1.00 21.55 H new ATOM 0 HD11 LEU A 79 -4.753 -10.779 -8.623 1.00 32.22 H new ATOM 0 HD12 LEU A 79 -5.403 -9.399 -7.708 1.00 32.22 H new ATOM 0 HD13 LEU A 79 -3.724 -9.929 -7.446 1.00 32.22 H new ATOM 0 HD21 LEU A 79 -4.368 -12.952 -7.515 1.00 2.51 H new ATOM 0 HD22 LEU A 79 -3.323 -12.210 -6.281 1.00 2.51 H new ATOM 0 HD23 LEU A 79 -4.740 -13.167 -5.788 1.00 2.51 H new ATOM 1287 N VAL A 80 -5.204 -10.896 -1.676 1.00 13.13 N ATOM 1288 CA VAL A 80 -5.242 -10.148 -0.411 1.00 3.51 C ATOM 1289 C VAL A 80 -3.882 -9.502 -0.086 1.00 73.43 C ATOM 1290 O VAL A 80 -2.842 -10.163 -0.081 1.00 32.24 O ATOM 1291 CB VAL A 80 -5.706 -11.047 0.768 1.00 11.13 C ATOM 1292 CG1 VAL A 80 -4.866 -12.318 0.870 1.00 43.30 C ATOM 1293 CG2 VAL A 80 -5.688 -10.275 2.090 1.00 33.32 C ATOM 0 H VAL A 80 -4.642 -11.746 -1.645 1.00 13.13 H new ATOM 0 HA VAL A 80 -5.972 -9.349 -0.542 1.00 3.51 H new ATOM 0 HB VAL A 80 -6.734 -11.346 0.563 1.00 11.13 H new ATOM 0 HG11 VAL A 80 -5.220 -12.922 1.706 1.00 43.30 H new ATOM 0 HG12 VAL A 80 -4.956 -12.889 -0.054 1.00 43.30 H new ATOM 0 HG13 VAL A 80 -3.821 -12.052 1.031 1.00 43.30 H new ATOM 0 HG21 VAL A 80 -6.017 -10.929 2.898 1.00 33.32 H new ATOM 0 HG22 VAL A 80 -4.675 -9.927 2.295 1.00 33.32 H new ATOM 0 HG23 VAL A 80 -6.358 -9.418 2.020 1.00 33.32 H new ATOM 1303 N TYR A 81 -3.907 -8.197 0.186 1.00 25.22 N ATOM 1304 CA TYR A 81 -2.691 -7.424 0.457 1.00 20.52 C ATOM 1305 C TYR A 81 -2.791 -6.697 1.814 1.00 64.21 C ATOM 1306 O TYR A 81 -3.821 -6.095 2.134 1.00 22.45 O ATOM 1307 CB TYR A 81 -2.470 -6.414 -0.681 1.00 5.23 C ATOM 1308 CG TYR A 81 -1.176 -5.625 -0.592 1.00 64.12 C ATOM 1309 CD1 TYR A 81 0.057 -6.266 -0.608 1.00 13.43 C ATOM 1310 CD2 TYR A 81 -1.192 -4.237 -0.506 1.00 11.31 C ATOM 1311 CE1 TYR A 81 1.237 -5.548 -0.539 1.00 64.44 C ATOM 1312 CE2 TYR A 81 -0.017 -3.513 -0.440 1.00 52.14 C ATOM 1313 CZ TYR A 81 1.195 -4.171 -0.457 1.00 12.51 C ATOM 1314 OH TYR A 81 2.367 -3.450 -0.393 1.00 33.30 O ATOM 0 H TYR A 81 -4.765 -7.647 0.225 1.00 25.22 H new ATOM 0 HA TYR A 81 -1.841 -8.105 0.508 1.00 20.52 H new ATOM 0 HB2 TYR A 81 -2.488 -6.949 -1.631 1.00 5.23 H new ATOM 0 HB3 TYR A 81 -3.305 -5.714 -0.693 1.00 5.23 H new ATOM 0 HD1 TYR A 81 0.094 -7.343 -0.675 1.00 13.43 H new ATOM 0 HD2 TYR A 81 -2.138 -3.717 -0.491 1.00 11.31 H new ATOM 0 HE1 TYR A 81 2.187 -6.062 -0.549 1.00 64.44 H new ATOM 0 HE2 TYR A 81 -0.048 -2.435 -0.375 1.00 52.14 H new ATOM 0 HH TYR A 81 3.074 -3.932 -0.871 1.00 33.30 H new ATOM 1324 N ARG A 82 -1.718 -6.757 2.608 1.00 52.14 N ATOM 1325 CA ARG A 82 -1.703 -6.164 3.957 1.00 40.33 C ATOM 1326 C ARG A 82 -0.569 -5.135 4.102 1.00 63.51 C ATOM 1327 O ARG A 82 0.597 -5.444 3.847 1.00 33.13 O ATOM 1328 CB ARG A 82 -1.514 -7.256 5.024 1.00 51.04 C ATOM 1329 CG ARG A 82 -2.353 -8.513 4.804 1.00 53.20 C ATOM 1330 CD ARG A 82 -2.141 -9.525 5.929 1.00 52.05 C ATOM 1331 NE ARG A 82 -2.628 -10.859 5.581 1.00 10.31 N ATOM 1332 CZ ARG A 82 -3.655 -11.441 6.136 1.00 73.31 C ATOM 1333 NH1 ARG A 82 -4.394 -10.815 7.000 1.00 64.13 N ATOM 1334 NH2 ARG A 82 -3.942 -12.656 5.806 1.00 42.02 N ATOM 0 H ARG A 82 -0.844 -7.211 2.343 1.00 52.14 H new ATOM 0 HA ARG A 82 -2.661 -5.664 4.101 1.00 40.33 H new ATOM 0 HB2 ARG A 82 -0.462 -7.538 5.053 1.00 51.04 H new ATOM 0 HB3 ARG A 82 -1.759 -6.838 6.000 1.00 51.04 H new ATOM 0 HG2 ARG A 82 -3.408 -8.244 4.748 1.00 53.20 H new ATOM 0 HG3 ARG A 82 -2.089 -8.967 3.849 1.00 53.20 H new ATOM 0 HD2 ARG A 82 -1.079 -9.580 6.168 1.00 52.05 H new ATOM 0 HD3 ARG A 82 -2.652 -9.178 6.827 1.00 52.05 H new ATOM 0 HE ARG A 82 -2.129 -11.371 4.853 1.00 10.31 H new ATOM 0 HH11 ARG A 82 -4.176 -9.852 7.255 1.00 64.13 H new ATOM 0 HH12 ARG A 82 -5.193 -11.286 7.424 1.00 64.13 H new ATOM 0 HH21 ARG A 82 -3.369 -13.147 5.120 1.00 42.02 H new ATOM 0 HH22 ARG A 82 -4.742 -13.125 6.231 1.00 42.02 H new ATOM 1348 N VAL A 83 -0.910 -3.919 4.522 1.00 53.10 N ATOM 1349 CA VAL A 83 0.089 -2.876 4.788 1.00 53.24 C ATOM 1350 C VAL A 83 0.165 -2.550 6.286 1.00 22.23 C ATOM 1351 O VAL A 83 -0.808 -2.087 6.880 1.00 50.12 O ATOM 1352 CB VAL A 83 -0.225 -1.572 4.010 1.00 54.43 C ATOM 1353 CG1 VAL A 83 0.849 -0.514 4.261 1.00 73.23 C ATOM 1354 CG2 VAL A 83 -0.372 -1.852 2.518 1.00 4.35 C ATOM 0 H VAL A 83 -1.873 -3.627 4.687 1.00 53.10 H new ATOM 0 HA VAL A 83 1.047 -3.271 4.451 1.00 53.24 H new ATOM 0 HB VAL A 83 -1.174 -1.182 4.377 1.00 54.43 H new ATOM 0 HG11 VAL A 83 0.606 0.391 3.704 1.00 73.23 H new ATOM 0 HG12 VAL A 83 0.892 -0.284 5.326 1.00 73.23 H new ATOM 0 HG13 VAL A 83 1.817 -0.893 3.932 1.00 73.23 H new ATOM 0 HG21 VAL A 83 -0.592 -0.922 1.993 1.00 4.35 H new ATOM 0 HG22 VAL A 83 0.556 -2.275 2.134 1.00 4.35 H new ATOM 0 HG23 VAL A 83 -1.186 -2.560 2.359 1.00 4.35 H new ATOM 1364 N ALA A 84 1.321 -2.803 6.890 1.00 63.32 N ATOM 1365 CA ALA A 84 1.544 -2.482 8.304 1.00 74.14 C ATOM 1366 C ALA A 84 2.688 -1.474 8.468 1.00 63.43 C ATOM 1367 O ALA A 84 3.808 -1.713 8.007 1.00 44.01 O ATOM 1368 CB ALA A 84 1.841 -3.753 9.089 1.00 74.04 C ATOM 0 H ALA A 84 2.122 -3.230 6.426 1.00 63.32 H new ATOM 0 HA ALA A 84 0.635 -2.026 8.697 1.00 74.14 H new ATOM 0 HB1 ALA A 84 2.005 -3.503 10.137 1.00 74.04 H new ATOM 0 HB2 ALA A 84 0.996 -4.437 9.007 1.00 74.04 H new ATOM 0 HB3 ALA A 84 2.734 -4.229 8.686 1.00 74.04 H new ATOM 1374 N ALA A 85 2.411 -0.359 9.143 1.00 30.10 N ATOM 1375 CA ALA A 85 3.399 0.710 9.320 1.00 42.00 C ATOM 1376 C ALA A 85 3.194 1.478 10.638 1.00 21.13 C ATOM 1377 O ALA A 85 2.201 1.288 11.337 1.00 20.54 O ATOM 1378 CB ALA A 85 3.343 1.674 8.136 1.00 73.45 C ATOM 0 H ALA A 85 1.508 -0.170 9.578 1.00 30.10 H new ATOM 0 HA ALA A 85 4.383 0.243 9.366 1.00 42.00 H new ATOM 0 HB1 ALA A 85 4.080 2.465 8.276 1.00 73.45 H new ATOM 0 HB2 ALA A 85 3.561 1.133 7.215 1.00 73.45 H new ATOM 0 HB3 ALA A 85 2.347 2.113 8.071 1.00 73.45 H new ATOM 1384 N ARG A 86 4.150 2.342 10.970 1.00 43.43 N ATOM 1385 CA ARG A 86 4.068 3.194 12.165 1.00 13.22 C ATOM 1386 C ARG A 86 4.521 4.625 11.835 1.00 32.15 C ATOM 1387 O ARG A 86 5.299 4.836 10.906 1.00 14.12 O ATOM 1388 CB ARG A 86 4.927 2.618 13.302 1.00 64.02 C ATOM 1389 CG ARG A 86 4.482 1.236 13.773 1.00 1.10 C ATOM 1390 CD ARG A 86 5.358 0.708 14.903 1.00 31.45 C ATOM 1391 NE ARG A 86 4.942 -0.626 15.338 1.00 61.41 N ATOM 1392 CZ ARG A 86 5.557 -1.326 16.250 1.00 72.22 C ATOM 1393 NH1 ARG A 86 6.595 -0.849 16.859 1.00 31.22 N ATOM 1394 NH2 ARG A 86 5.118 -2.500 16.565 1.00 3.55 N ATOM 0 H ARG A 86 5.002 2.475 10.425 1.00 43.43 H new ATOM 0 HA ARG A 86 3.029 3.221 12.494 1.00 13.22 H new ATOM 0 HB2 ARG A 86 5.963 2.561 12.969 1.00 64.02 H new ATOM 0 HB3 ARG A 86 4.901 3.305 14.148 1.00 64.02 H new ATOM 0 HG2 ARG A 86 3.446 1.284 14.109 1.00 1.10 H new ATOM 0 HG3 ARG A 86 4.513 0.540 12.935 1.00 1.10 H new ATOM 0 HD2 ARG A 86 6.396 0.675 14.572 1.00 31.45 H new ATOM 0 HD3 ARG A 86 5.314 1.395 15.748 1.00 31.45 H new ATOM 0 HE ARG A 86 4.117 -1.035 14.899 1.00 61.41 H new ATOM 0 HH11 ARG A 86 6.939 0.083 16.627 1.00 31.22 H new ATOM 0 HH12 ARG A 86 7.069 -1.405 17.571 1.00 31.22 H new ATOM 0 HH21 ARG A 86 4.292 -2.877 16.100 1.00 3.55 H new ATOM 0 HH22 ARG A 86 5.598 -3.049 17.278 1.00 3.55 H new ATOM 1408 N LEU A 87 4.043 5.600 12.603 1.00 73.50 N ATOM 1409 CA LEU A 87 4.346 7.010 12.333 1.00 1.42 C ATOM 1410 C LEU A 87 4.979 7.672 13.572 1.00 35.22 C ATOM 1411 O LEU A 87 4.284 8.099 14.494 1.00 64.51 O ATOM 1412 CB LEU A 87 3.058 7.738 11.898 1.00 0.34 C ATOM 1413 CG LEU A 87 3.245 9.015 11.051 1.00 72.54 C ATOM 1414 CD1 LEU A 87 1.940 9.376 10.345 1.00 22.35 C ATOM 1415 CD2 LEU A 87 3.727 10.185 11.911 1.00 72.51 C ATOM 0 H LEU A 87 3.446 5.445 13.415 1.00 73.50 H new ATOM 0 HA LEU A 87 5.071 7.078 11.522 1.00 1.42 H new ATOM 0 HB2 LEU A 87 2.445 7.038 11.330 1.00 0.34 H new ATOM 0 HB3 LEU A 87 2.495 8.001 12.794 1.00 0.34 H new ATOM 0 HG LEU A 87 4.010 8.814 10.301 1.00 72.54 H new ATOM 0 HD11 LEU A 87 2.085 10.278 9.751 1.00 22.35 H new ATOM 0 HD12 LEU A 87 1.641 8.556 9.692 1.00 22.35 H new ATOM 0 HD13 LEU A 87 1.161 9.552 11.087 1.00 22.35 H new ATOM 0 HD21 LEU A 87 3.849 11.070 11.286 1.00 72.51 H new ATOM 0 HD22 LEU A 87 2.993 10.390 12.691 1.00 72.51 H new ATOM 0 HD23 LEU A 87 4.682 9.930 12.370 1.00 72.51 H new ATOM 1427 N LEU A 88 6.307 7.729 13.590 1.00 44.45 N ATOM 1428 CA LEU A 88 7.059 8.248 14.738 1.00 22.24 C ATOM 1429 C LEU A 88 7.410 9.737 14.571 1.00 74.23 C ATOM 1430 O LEU A 88 7.087 10.363 13.564 1.00 13.13 O ATOM 1431 CB LEU A 88 8.357 7.439 14.945 1.00 1.23 C ATOM 1432 CG LEU A 88 8.184 5.942 15.274 1.00 24.52 C ATOM 1433 CD1 LEU A 88 7.653 5.162 14.074 1.00 12.25 C ATOM 1434 CD2 LEU A 88 9.503 5.343 15.761 1.00 53.23 C ATOM 0 H LEU A 88 6.894 7.419 12.815 1.00 44.45 H new ATOM 0 HA LEU A 88 6.416 8.144 15.612 1.00 22.24 H new ATOM 0 HB2 LEU A 88 8.960 7.523 14.041 1.00 1.23 H new ATOM 0 HB3 LEU A 88 8.925 7.903 15.752 1.00 1.23 H new ATOM 0 HG LEU A 88 7.447 5.863 16.073 1.00 24.52 H new ATOM 0 HD11 LEU A 88 7.544 4.111 14.343 1.00 12.25 H new ATOM 0 HD12 LEU A 88 6.684 5.564 13.779 1.00 12.25 H new ATOM 0 HD13 LEU A 88 8.352 5.253 13.243 1.00 12.25 H new ATOM 0 HD21 LEU A 88 9.361 4.286 15.988 1.00 53.23 H new ATOM 0 HD22 LEU A 88 10.260 5.448 14.983 1.00 53.23 H new ATOM 0 HD23 LEU A 88 9.831 5.866 16.659 1.00 53.23 H new ATOM 1446 N ASP A 89 8.065 10.291 15.587 1.00 23.15 N ATOM 1447 CA ASP A 89 8.598 11.656 15.536 1.00 24.01 C ATOM 1448 C ASP A 89 10.063 11.637 15.044 1.00 70.35 C ATOM 1449 O ASP A 89 10.692 10.580 15.016 1.00 61.22 O ATOM 1450 CB ASP A 89 8.494 12.293 16.933 1.00 53.01 C ATOM 1451 CG ASP A 89 9.126 13.673 17.012 1.00 64.05 C ATOM 1452 OD1 ASP A 89 8.462 14.669 16.657 1.00 52.21 O ATOM 1453 OD2 ASP A 89 10.302 13.764 17.422 1.00 34.53 O ATOM 0 H ASP A 89 8.243 9.811 16.469 1.00 23.15 H new ATOM 0 HA ASP A 89 8.016 12.252 14.833 1.00 24.01 H new ATOM 0 HB2 ASP A 89 7.444 12.365 17.215 1.00 53.01 H new ATOM 0 HB3 ASP A 89 8.975 11.638 17.660 1.00 53.01 H new ATOM 1458 N ALA A 90 10.601 12.801 14.669 1.00 33.44 N ATOM 1459 CA ALA A 90 11.994 12.912 14.195 1.00 43.12 C ATOM 1460 C ALA A 90 13.007 12.270 15.165 1.00 35.14 C ATOM 1461 O ALA A 90 14.051 11.770 14.749 1.00 0.20 O ATOM 1462 CB ALA A 90 12.350 14.375 13.964 1.00 33.11 C ATOM 0 H ALA A 90 10.095 13.686 14.683 1.00 33.44 H new ATOM 0 HA ALA A 90 12.057 12.361 13.257 1.00 43.12 H new ATOM 0 HB1 ALA A 90 13.380 14.448 13.614 1.00 33.11 H new ATOM 0 HB2 ALA A 90 11.681 14.798 13.214 1.00 33.11 H new ATOM 0 HB3 ALA A 90 12.244 14.927 14.898 1.00 33.11 H new ATOM 1468 N HIS A 91 12.688 12.286 16.459 1.00 12.55 N ATOM 1469 CA HIS A 91 13.559 11.694 17.487 1.00 21.04 C ATOM 1470 C HIS A 91 13.332 10.175 17.637 1.00 62.12 C ATOM 1471 O HIS A 91 13.862 9.554 18.559 1.00 40.12 O ATOM 1472 CB HIS A 91 13.320 12.383 18.839 1.00 44.22 C ATOM 1473 CG HIS A 91 13.707 13.834 18.866 1.00 10.25 C ATOM 1474 ND1 HIS A 91 14.641 14.344 19.740 1.00 50.54 N ATOM 1475 CD2 HIS A 91 13.269 14.889 18.138 1.00 71.01 C ATOM 1476 CE1 HIS A 91 14.761 15.641 19.553 1.00 43.31 C ATOM 1477 NE2 HIS A 91 13.941 15.999 18.587 1.00 63.13 N ATOM 0 H HIS A 91 11.832 12.702 16.826 1.00 12.55 H new ATOM 0 HA HIS A 91 14.589 11.848 17.166 1.00 21.04 H new ATOM 0 HB2 HIS A 91 12.265 12.295 19.098 1.00 44.22 H new ATOM 0 HB3 HIS A 91 13.882 11.854 19.608 1.00 44.22 H new ATOM 0 HD2 HIS A 91 12.529 14.862 17.351 1.00 71.01 H new ATOM 0 HE1 HIS A 91 15.420 16.300 20.099 1.00 43.31 H new ATOM 0 HE2 HIS A 91 13.824 16.947 18.230 1.00 63.13 H new ATOM 1486 N ASN A 92 12.547 9.588 16.726 1.00 13.51 N ATOM 1487 CA ASN A 92 12.192 8.157 16.782 1.00 41.30 C ATOM 1488 C ASN A 92 11.471 7.793 18.098 1.00 33.13 C ATOM 1489 O ASN A 92 11.379 6.624 18.463 1.00 13.34 O ATOM 1490 CB ASN A 92 13.443 7.282 16.604 1.00 75.35 C ATOM 1491 CG ASN A 92 14.099 7.470 15.245 1.00 24.11 C ATOM 1492 OD1 ASN A 92 14.964 8.322 15.067 1.00 22.00 O ATOM 1493 ND2 ASN A 92 13.696 6.671 14.277 1.00 40.11 N ATOM 0 H ASN A 92 12.140 10.084 15.933 1.00 13.51 H new ATOM 0 HA ASN A 92 11.502 7.963 15.961 1.00 41.30 H new ATOM 0 HB2 ASN A 92 14.163 7.520 17.387 1.00 75.35 H new ATOM 0 HB3 ASN A 92 13.170 6.234 16.730 1.00 75.35 H new ATOM 0 HD21 ASN A 92 14.106 6.751 13.346 1.00 40.11 H new ATOM 0 HD22 ASN A 92 12.975 5.973 14.459 1.00 40.11 H new ATOM 1500 N ALA A 93 10.914 8.799 18.774 1.00 74.30 N ATOM 1501 CA ALA A 93 10.309 8.619 20.104 1.00 71.13 C ATOM 1502 C ALA A 93 8.854 8.115 20.044 1.00 21.24 C ATOM 1503 O ALA A 93 8.049 8.458 20.907 1.00 64.23 O ATOM 1504 CB ALA A 93 10.379 9.938 20.870 1.00 54.33 C ATOM 0 H ALA A 93 10.867 9.756 18.423 1.00 74.30 H new ATOM 0 HA ALA A 93 10.880 7.847 20.620 1.00 71.13 H new ATOM 0 HB1 ALA A 93 9.932 9.810 21.856 1.00 54.33 H new ATOM 0 HB2 ALA A 93 11.421 10.240 20.980 1.00 54.33 H new ATOM 0 HB3 ALA A 93 9.834 10.707 20.322 1.00 54.33 H new ATOM 1510 N GLU A 94 8.546 7.268 19.047 1.00 32.52 N ATOM 1511 CA GLU A 94 7.196 6.683 18.847 1.00 51.42 C ATOM 1512 C GLU A 94 6.041 7.668 19.163 1.00 23.20 C ATOM 1513 O GLU A 94 5.637 7.845 20.314 1.00 33.24 O ATOM 1514 CB GLU A 94 7.045 5.364 19.640 1.00 64.13 C ATOM 1515 CG GLU A 94 7.241 5.489 21.149 1.00 5.21 C ATOM 1516 CD GLU A 94 7.217 4.145 21.863 1.00 1.14 C ATOM 1517 OE1 GLU A 94 6.161 3.473 21.841 1.00 32.40 O ATOM 1518 OE2 GLU A 94 8.247 3.761 22.458 1.00 31.04 O ATOM 0 H GLU A 94 9.226 6.964 18.350 1.00 32.52 H new ATOM 0 HA GLU A 94 7.113 6.463 17.783 1.00 51.42 H new ATOM 0 HB2 GLU A 94 6.052 4.956 19.451 1.00 64.13 H new ATOM 0 HB3 GLU A 94 7.765 4.642 19.254 1.00 64.13 H new ATOM 0 HG2 GLU A 94 8.192 5.983 21.347 1.00 5.21 H new ATOM 0 HG3 GLU A 94 6.459 6.127 21.560 1.00 5.21 H new ATOM 1525 N LEU A 95 5.495 8.286 18.116 1.00 72.34 N ATOM 1526 CA LEU A 95 4.480 9.341 18.267 1.00 31.20 C ATOM 1527 C LEU A 95 3.063 8.781 18.046 1.00 12.43 C ATOM 1528 O LEU A 95 2.181 8.937 18.893 1.00 64.34 O ATOM 1529 CB LEU A 95 4.780 10.485 17.272 1.00 73.45 C ATOM 1530 CG LEU A 95 4.079 11.839 17.533 1.00 43.41 C ATOM 1531 CD1 LEU A 95 2.585 11.781 17.216 1.00 43.32 C ATOM 1532 CD2 LEU A 95 4.314 12.294 18.973 1.00 11.31 C ATOM 0 H LEU A 95 5.737 8.076 17.148 1.00 72.34 H new ATOM 0 HA LEU A 95 4.522 9.730 19.284 1.00 31.20 H new ATOM 0 HB2 LEU A 95 5.857 10.656 17.265 1.00 73.45 H new ATOM 0 HB3 LEU A 95 4.505 10.147 16.273 1.00 73.45 H new ATOM 0 HG LEU A 95 4.521 12.573 16.858 1.00 43.41 H new ATOM 0 HD11 LEU A 95 2.133 12.753 17.414 1.00 43.32 H new ATOM 0 HD12 LEU A 95 2.446 11.523 16.166 1.00 43.32 H new ATOM 0 HD13 LEU A 95 2.109 11.026 17.842 1.00 43.32 H new ATOM 0 HD21 LEU A 95 3.814 13.248 19.139 1.00 11.31 H new ATOM 0 HD22 LEU A 95 3.912 11.549 19.660 1.00 11.31 H new ATOM 0 HD23 LEU A 95 5.384 12.410 19.148 1.00 11.31 H new ATOM 1544 N ALA A 96 2.849 8.138 16.901 1.00 71.15 N ATOM 1545 CA ALA A 96 1.539 7.570 16.560 1.00 71.11 C ATOM 1546 C ALA A 96 1.679 6.194 15.892 1.00 41.33 C ATOM 1547 O ALA A 96 2.597 5.961 15.098 1.00 73.44 O ATOM 1548 CB ALA A 96 0.774 8.529 15.650 1.00 31.32 C ATOM 0 H ALA A 96 3.565 7.995 16.189 1.00 71.15 H new ATOM 0 HA ALA A 96 0.980 7.432 17.485 1.00 71.11 H new ATOM 0 HB1 ALA A 96 -0.197 8.099 15.402 1.00 31.32 H new ATOM 0 HB2 ALA A 96 0.630 9.480 16.163 1.00 31.32 H new ATOM 0 HB3 ALA A 96 1.342 8.693 14.735 1.00 31.32 H new ATOM 1554 N SER A 97 0.774 5.276 16.217 1.00 34.11 N ATOM 1555 CA SER A 97 0.781 3.935 15.618 1.00 60.04 C ATOM 1556 C SER A 97 -0.190 3.859 14.434 1.00 23.32 C ATOM 1557 O SER A 97 -1.405 3.758 14.609 1.00 30.50 O ATOM 1558 CB SER A 97 0.432 2.869 16.666 1.00 1.10 C ATOM 1559 OG SER A 97 1.410 2.828 17.699 1.00 24.34 O ATOM 0 H SER A 97 0.024 5.431 16.891 1.00 34.11 H new ATOM 0 HA SER A 97 1.787 3.738 15.248 1.00 60.04 H new ATOM 0 HB2 SER A 97 -0.547 3.083 17.096 1.00 1.10 H new ATOM 0 HB3 SER A 97 0.363 1.892 16.187 1.00 1.10 H new ATOM 0 HG SER A 97 1.164 2.143 18.355 1.00 24.34 H new ATOM 1565 N LEU A 98 0.364 3.919 13.226 1.00 24.44 N ATOM 1566 CA LEU A 98 -0.429 3.888 11.991 1.00 60.31 C ATOM 1567 C LEU A 98 -1.156 2.535 11.828 1.00 51.05 C ATOM 1568 O LEU A 98 -0.523 1.482 11.742 1.00 20.04 O ATOM 1569 CB LEU A 98 0.496 4.176 10.794 1.00 11.01 C ATOM 1570 CG LEU A 98 -0.184 4.283 9.418 1.00 4.31 C ATOM 1571 CD1 LEU A 98 -1.324 5.295 9.450 1.00 5.51 C ATOM 1572 CD2 LEU A 98 0.842 4.670 8.354 1.00 34.14 C ATOM 0 H LEU A 98 1.370 3.990 13.071 1.00 24.44 H new ATOM 0 HA LEU A 98 -1.200 4.657 12.039 1.00 60.31 H new ATOM 0 HB2 LEU A 98 1.026 5.109 10.987 1.00 11.01 H new ATOM 0 HB3 LEU A 98 1.247 3.387 10.744 1.00 11.01 H new ATOM 0 HG LEU A 98 -0.604 3.309 9.166 1.00 4.31 H new ATOM 0 HD11 LEU A 98 -1.788 5.352 8.465 1.00 5.51 H new ATOM 0 HD12 LEU A 98 -2.067 4.983 10.184 1.00 5.51 H new ATOM 0 HD13 LEU A 98 -0.933 6.275 9.724 1.00 5.51 H new ATOM 0 HD21 LEU A 98 0.350 4.743 7.384 1.00 34.14 H new ATOM 0 HD22 LEU A 98 1.286 5.632 8.609 1.00 34.14 H new ATOM 0 HD23 LEU A 98 1.623 3.911 8.309 1.00 34.14 H new ATOM 1584 N GLN A 99 -2.487 2.571 11.809 1.00 63.13 N ATOM 1585 CA GLN A 99 -3.306 1.349 11.761 1.00 74.45 C ATOM 1586 C GLN A 99 -3.109 0.562 10.448 1.00 35.21 C ATOM 1587 O GLN A 99 -2.807 1.138 9.402 1.00 53.15 O ATOM 1588 CB GLN A 99 -4.788 1.710 11.956 1.00 22.50 C ATOM 1589 CG GLN A 99 -5.717 0.504 12.071 1.00 45.24 C ATOM 1590 CD GLN A 99 -5.374 -0.408 13.240 1.00 61.40 C ATOM 1591 OE1 GLN A 99 -4.840 0.023 14.255 1.00 64.21 O ATOM 1592 NE2 GLN A 99 -5.692 -1.677 13.112 1.00 65.51 N ATOM 0 H GLN A 99 -3.029 3.435 11.826 1.00 63.13 H new ATOM 0 HA GLN A 99 -2.978 0.698 12.572 1.00 74.45 H new ATOM 0 HB2 GLN A 99 -4.887 2.317 12.856 1.00 22.50 H new ATOM 0 HB3 GLN A 99 -5.113 2.326 11.118 1.00 22.50 H new ATOM 0 HG2 GLN A 99 -6.744 0.854 12.180 1.00 45.24 H new ATOM 0 HG3 GLN A 99 -5.673 -0.070 11.146 1.00 45.24 H new ATOM 0 HE21 GLN A 99 -6.136 -2.008 12.255 1.00 65.51 H new ATOM 0 HE22 GLN A 99 -5.495 -2.331 13.869 1.00 65.51 H new ATOM 1601 N GLU A 100 -3.286 -0.759 10.524 1.00 22.34 N ATOM 1602 CA GLU A 100 -3.090 -1.655 9.373 1.00 14.02 C ATOM 1603 C GLU A 100 -4.073 -1.366 8.223 1.00 35.11 C ATOM 1604 O GLU A 100 -5.221 -0.972 8.447 1.00 44.42 O ATOM 1605 CB GLU A 100 -3.250 -3.120 9.811 1.00 31.04 C ATOM 1606 CG GLU A 100 -4.631 -3.442 10.382 1.00 65.04 C ATOM 1607 CD GLU A 100 -4.855 -4.930 10.606 1.00 2.23 C ATOM 1608 OE1 GLU A 100 -4.346 -5.471 11.611 1.00 51.51 O ATOM 1609 OE2 GLU A 100 -5.554 -5.562 9.779 1.00 71.44 O ATOM 0 H GLU A 100 -3.568 -1.239 11.379 1.00 22.34 H new ATOM 0 HA GLU A 100 -2.080 -1.475 9.004 1.00 14.02 H new ATOM 0 HB2 GLU A 100 -3.060 -3.769 8.956 1.00 31.04 H new ATOM 0 HB3 GLU A 100 -2.493 -3.351 10.561 1.00 31.04 H new ATOM 0 HG2 GLU A 100 -4.758 -2.916 11.328 1.00 65.04 H new ATOM 0 HG3 GLU A 100 -5.395 -3.064 9.702 1.00 65.04 H new ATOM 1616 N ILE A 101 -3.617 -1.585 6.993 1.00 21.42 N ATOM 1617 CA ILE A 101 -4.463 -1.440 5.806 1.00 13.23 C ATOM 1618 C ILE A 101 -4.641 -2.789 5.090 1.00 25.10 C ATOM 1619 O ILE A 101 -3.691 -3.342 4.535 1.00 75.41 O ATOM 1620 CB ILE A 101 -3.874 -0.397 4.826 1.00 0.14 C ATOM 1621 CG1 ILE A 101 -3.751 0.964 5.531 1.00 14.13 C ATOM 1622 CG2 ILE A 101 -4.737 -0.285 3.567 1.00 61.02 C ATOM 1623 CD1 ILE A 101 -3.140 2.049 4.674 1.00 41.23 C ATOM 0 H ILE A 101 -2.658 -1.866 6.789 1.00 21.42 H new ATOM 0 HA ILE A 101 -5.439 -1.089 6.140 1.00 13.23 H new ATOM 0 HB ILE A 101 -2.881 -0.724 4.517 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -4.741 1.285 5.854 1.00 14.13 H new ATOM 0 HG13 ILE A 101 -3.147 0.842 6.430 1.00 14.13 H new ATOM 0 HG21 ILE A 101 -4.303 0.454 2.893 1.00 61.02 H new ATOM 0 HG22 ILE A 101 -4.778 -1.253 3.067 1.00 61.02 H new ATOM 0 HG23 ILE A 101 -5.745 0.024 3.843 1.00 61.02 H new ATOM 0 HD11 ILE A 101 -3.088 2.977 5.244 1.00 41.23 H new ATOM 0 HD12 ILE A 101 -2.136 1.752 4.372 1.00 41.23 H new ATOM 0 HD13 ILE A 101 -3.755 2.202 3.787 1.00 41.23 H new ATOM 1635 N ARG A 102 -5.863 -3.312 5.119 1.00 14.22 N ATOM 1636 CA ARG A 102 -6.172 -4.628 4.536 1.00 51.13 C ATOM 1637 C ARG A 102 -7.118 -4.499 3.327 1.00 74.14 C ATOM 1638 O ARG A 102 -8.225 -3.971 3.445 1.00 41.21 O ATOM 1639 CB ARG A 102 -6.798 -5.530 5.611 1.00 65.12 C ATOM 1640 CG ARG A 102 -7.984 -4.889 6.326 1.00 53.31 C ATOM 1641 CD ARG A 102 -8.467 -5.721 7.505 1.00 31.21 C ATOM 1642 NE ARG A 102 -9.487 -5.012 8.271 1.00 61.31 N ATOM 1643 CZ ARG A 102 -9.244 -4.342 9.366 1.00 4.12 C ATOM 1644 NH1 ARG A 102 -8.051 -4.309 9.868 1.00 72.40 N ATOM 1645 NH2 ARG A 102 -10.196 -3.703 9.961 1.00 31.25 N ATOM 0 H ARG A 102 -6.666 -2.846 5.542 1.00 14.22 H new ATOM 0 HA ARG A 102 -5.244 -5.075 4.180 1.00 51.13 H new ATOM 0 HB2 ARG A 102 -7.123 -6.462 5.148 1.00 65.12 H new ATOM 0 HB3 ARG A 102 -6.036 -5.788 6.347 1.00 65.12 H new ATOM 0 HG2 ARG A 102 -7.701 -3.897 6.677 1.00 53.31 H new ATOM 0 HG3 ARG A 102 -8.803 -4.756 5.619 1.00 53.31 H new ATOM 0 HD2 ARG A 102 -8.872 -6.667 7.144 1.00 31.21 H new ATOM 0 HD3 ARG A 102 -7.624 -5.962 8.153 1.00 31.21 H new ATOM 0 HE ARG A 102 -10.448 -5.041 7.931 1.00 61.31 H new ATOM 0 HH11 ARG A 102 -7.290 -4.809 9.408 1.00 72.40 H new ATOM 0 HH12 ARG A 102 -7.872 -3.783 10.723 1.00 72.40 H new ATOM 0 HH21 ARG A 102 -11.140 -3.721 9.576 1.00 31.25 H new ATOM 0 HH22 ARG A 102 -10.003 -3.181 10.816 1.00 31.25 H new ATOM 1659 N LEU A 103 -6.678 -4.989 2.168 1.00 40.14 N ATOM 1660 CA LEU A 103 -7.459 -4.881 0.923 1.00 20.02 C ATOM 1661 C LEU A 103 -7.459 -6.208 0.147 1.00 60.12 C ATOM 1662 O LEU A 103 -6.466 -6.935 0.155 1.00 62.04 O ATOM 1663 CB LEU A 103 -6.866 -3.774 0.035 1.00 35.01 C ATOM 1664 CG LEU A 103 -6.765 -2.383 0.686 1.00 11.22 C ATOM 1665 CD1 LEU A 103 -5.946 -1.445 -0.189 1.00 63.44 C ATOM 1666 CD2 LEU A 103 -8.150 -1.796 0.945 1.00 60.43 C ATOM 0 H LEU A 103 -5.783 -5.467 2.059 1.00 40.14 H new ATOM 0 HA LEU A 103 -8.487 -4.637 1.190 1.00 20.02 H new ATOM 0 HB2 LEU A 103 -5.869 -4.081 -0.281 1.00 35.01 H new ATOM 0 HB3 LEU A 103 -7.474 -3.691 -0.866 1.00 35.01 H new ATOM 0 HG LEU A 103 -6.261 -2.496 1.646 1.00 11.22 H new ATOM 0 HD11 LEU A 103 -5.884 -0.466 0.286 1.00 63.44 H new ATOM 0 HD12 LEU A 103 -4.942 -1.850 -0.317 1.00 63.44 H new ATOM 0 HD13 LEU A 103 -6.424 -1.346 -1.164 1.00 63.44 H new ATOM 0 HD21 LEU A 103 -8.048 -0.813 1.405 1.00 60.43 H new ATOM 0 HD22 LEU A 103 -8.687 -1.701 0.001 1.00 60.43 H new ATOM 0 HD23 LEU A 103 -8.705 -2.454 1.614 1.00 60.43 H new ATOM 1678 N THR A 104 -8.578 -6.527 -0.510 1.00 0.13 N ATOM 1679 CA THR A 104 -8.649 -7.714 -1.381 1.00 63.43 C ATOM 1680 C THR A 104 -9.265 -7.369 -2.741 1.00 14.44 C ATOM 1681 O THR A 104 -10.256 -6.640 -2.821 1.00 73.55 O ATOM 1682 CB THR A 104 -9.474 -8.872 -0.760 1.00 24.43 C ATOM 1683 OG1 THR A 104 -10.872 -8.543 -0.719 1.00 13.02 O ATOM 1684 CG2 THR A 104 -8.992 -9.204 0.644 1.00 74.32 C ATOM 0 H THR A 104 -9.443 -5.988 -0.459 1.00 0.13 H new ATOM 0 HA THR A 104 -7.617 -8.045 -1.502 1.00 63.43 H new ATOM 0 HB THR A 104 -9.330 -9.745 -1.396 1.00 24.43 H new ATOM 0 HG1 THR A 104 -11.403 -9.351 -0.877 1.00 13.02 H new ATOM 0 HG21 THR A 104 -9.590 -10.019 1.051 1.00 74.32 H new ATOM 0 HG22 THR A 104 -7.945 -9.506 0.608 1.00 74.32 H new ATOM 0 HG23 THR A 104 -9.095 -8.326 1.281 1.00 74.32 H new ATOM 1692 N ARG A 105 -8.678 -7.894 -3.813 1.00 3.23 N ATOM 1693 CA ARG A 105 -9.195 -7.666 -5.169 1.00 22.23 C ATOM 1694 C ARG A 105 -9.442 -9.004 -5.885 1.00 54.44 C ATOM 1695 O ARG A 105 -8.618 -9.914 -5.821 1.00 22.34 O ATOM 1696 CB ARG A 105 -8.222 -6.790 -5.976 1.00 24.31 C ATOM 1697 CG ARG A 105 -8.832 -6.189 -7.249 1.00 2.40 C ATOM 1698 CD ARG A 105 -8.610 -4.681 -7.325 1.00 52.33 C ATOM 1699 NE ARG A 105 -9.197 -3.986 -6.178 1.00 40.42 N ATOM 1700 CZ ARG A 105 -8.882 -2.772 -5.808 1.00 10.44 C ATOM 1701 NH1 ARG A 105 -8.055 -2.058 -6.500 1.00 72.55 N ATOM 1702 NH2 ARG A 105 -9.422 -2.264 -4.752 1.00 54.42 N ATOM 0 H ARG A 105 -7.844 -8.480 -3.774 1.00 3.23 H new ATOM 0 HA ARG A 105 -10.146 -7.140 -5.091 1.00 22.23 H new ATOM 0 HB2 ARG A 105 -7.865 -5.980 -5.339 1.00 24.31 H new ATOM 0 HB3 ARG A 105 -7.353 -7.388 -6.249 1.00 24.31 H new ATOM 0 HG2 ARG A 105 -8.391 -6.666 -8.124 1.00 2.40 H new ATOM 0 HG3 ARG A 105 -9.901 -6.401 -7.275 1.00 2.40 H new ATOM 0 HD2 ARG A 105 -7.541 -4.473 -7.368 1.00 52.33 H new ATOM 0 HD3 ARG A 105 -9.047 -4.295 -8.246 1.00 52.33 H new ATOM 0 HE ARG A 105 -9.900 -4.483 -5.630 1.00 40.42 H new ATOM 0 HH11 ARG A 105 -7.638 -2.440 -7.349 1.00 72.55 H new ATOM 0 HH12 ARG A 105 -7.820 -1.113 -6.197 1.00 72.55 H new ATOM 0 HH21 ARG A 105 -10.092 -2.809 -4.209 1.00 54.42 H new ATOM 0 HH22 ARG A 105 -9.179 -1.317 -4.460 1.00 54.42 H new ATOM 1716 N ILE A 106 -10.579 -9.114 -6.567 1.00 12.31 N ATOM 1717 CA ILE A 106 -11.019 -10.390 -7.145 1.00 14.21 C ATOM 1718 C ILE A 106 -10.525 -10.588 -8.591 1.00 74.01 C ATOM 1719 O ILE A 106 -10.943 -9.881 -9.509 1.00 34.42 O ATOM 1720 CB ILE A 106 -12.566 -10.498 -7.119 1.00 50.22 C ATOM 1721 CG1 ILE A 106 -13.102 -10.239 -5.698 1.00 64.43 C ATOM 1722 CG2 ILE A 106 -13.028 -11.863 -7.629 1.00 43.44 C ATOM 1723 CD1 ILE A 106 -12.533 -11.165 -4.644 1.00 32.20 C ATOM 0 H ILE A 106 -11.217 -8.336 -6.736 1.00 12.31 H new ATOM 0 HA ILE A 106 -10.579 -11.173 -6.528 1.00 14.21 H new ATOM 0 HB ILE A 106 -12.970 -9.735 -7.785 1.00 50.22 H new ATOM 0 HG12 ILE A 106 -12.879 -9.209 -5.420 1.00 64.43 H new ATOM 0 HG13 ILE A 106 -14.187 -10.339 -5.707 1.00 64.43 H new ATOM 0 HG21 ILE A 106 -14.116 -11.913 -7.600 1.00 43.44 H new ATOM 0 HG22 ILE A 106 -12.685 -12.004 -8.654 1.00 43.44 H new ATOM 0 HG23 ILE A 106 -12.612 -12.647 -6.997 1.00 43.44 H new ATOM 0 HD11 ILE A 106 -12.961 -10.917 -3.673 1.00 32.20 H new ATOM 0 HD12 ILE A 106 -12.778 -12.197 -4.896 1.00 32.20 H new ATOM 0 HD13 ILE A 106 -11.450 -11.049 -4.604 1.00 32.20 H new ATOM 1735 N LEU A 107 -9.639 -11.563 -8.776 1.00 35.14 N ATOM 1736 CA LEU A 107 -9.123 -11.922 -10.103 1.00 13.21 C ATOM 1737 C LEU A 107 -9.983 -13.045 -10.720 1.00 2.24 C ATOM 1738 O LEU A 107 -10.023 -14.160 -10.197 1.00 53.25 O ATOM 1739 CB LEU A 107 -7.648 -12.366 -9.965 1.00 4.43 C ATOM 1740 CG LEU A 107 -6.823 -12.518 -11.265 1.00 51.04 C ATOM 1741 CD1 LEU A 107 -7.276 -13.723 -12.088 1.00 45.12 C ATOM 1742 CD2 LEU A 107 -6.885 -11.240 -12.098 1.00 65.11 C ATOM 0 H LEU A 107 -9.257 -12.127 -8.017 1.00 35.14 H new ATOM 0 HA LEU A 107 -9.173 -11.059 -10.767 1.00 13.21 H new ATOM 0 HB2 LEU A 107 -7.138 -11.645 -9.326 1.00 4.43 H new ATOM 0 HB3 LEU A 107 -7.632 -13.323 -9.443 1.00 4.43 H new ATOM 0 HG LEU A 107 -5.787 -12.693 -10.975 1.00 51.04 H new ATOM 0 HD11 LEU A 107 -6.672 -13.794 -12.992 1.00 45.12 H new ATOM 0 HD12 LEU A 107 -7.156 -14.632 -11.499 1.00 45.12 H new ATOM 0 HD13 LEU A 107 -8.325 -13.604 -12.361 1.00 45.12 H new ATOM 0 HD21 LEU A 107 -6.298 -11.370 -13.007 1.00 65.11 H new ATOM 0 HD22 LEU A 107 -7.921 -11.028 -12.362 1.00 65.11 H new ATOM 0 HD23 LEU A 107 -6.480 -10.409 -11.520 1.00 65.11 H new ATOM 1754 N PRO A 108 -10.691 -12.769 -11.837 1.00 22.30 N ATOM 1755 CA PRO A 108 -11.547 -13.773 -12.499 1.00 25.52 C ATOM 1756 C PRO A 108 -10.745 -14.849 -13.261 1.00 43.23 C ATOM 1757 O PRO A 108 -9.828 -14.535 -14.024 1.00 42.21 O ATOM 1758 CB PRO A 108 -12.384 -12.930 -13.470 1.00 25.40 C ATOM 1759 CG PRO A 108 -11.519 -11.756 -13.791 1.00 1.42 C ATOM 1760 CD PRO A 108 -10.724 -11.467 -12.540 1.00 11.30 C ATOM 0 HA PRO A 108 -12.136 -14.339 -11.778 1.00 25.52 H new ATOM 0 HB2 PRO A 108 -12.637 -13.494 -14.368 1.00 25.40 H new ATOM 0 HB3 PRO A 108 -13.324 -12.617 -13.015 1.00 25.40 H new ATOM 0 HG2 PRO A 108 -10.859 -11.976 -14.630 1.00 1.42 H new ATOM 0 HG3 PRO A 108 -12.122 -10.894 -14.077 1.00 1.42 H new ATOM 0 HD2 PRO A 108 -9.720 -11.114 -12.776 1.00 11.30 H new ATOM 0 HD3 PRO A 108 -11.199 -10.696 -11.933 1.00 11.30 H new ATOM 1768 N PHE A 109 -11.096 -16.120 -13.053 1.00 62.31 N ATOM 1769 CA PHE A 109 -10.426 -17.226 -13.748 1.00 24.14 C ATOM 1770 C PHE A 109 -11.036 -17.467 -15.139 1.00 1.31 C ATOM 1771 O PHE A 109 -12.229 -17.746 -15.269 1.00 0.01 O ATOM 1772 CB PHE A 109 -10.511 -18.511 -12.912 1.00 71.34 C ATOM 1773 CG PHE A 109 -9.834 -19.700 -13.556 1.00 55.24 C ATOM 1774 CD1 PHE A 109 -8.455 -19.860 -13.481 1.00 73.03 C ATOM 1775 CD2 PHE A 109 -10.577 -20.658 -14.236 1.00 60.31 C ATOM 1776 CE1 PHE A 109 -7.836 -20.946 -14.070 1.00 55.01 C ATOM 1777 CE2 PHE A 109 -9.959 -21.744 -14.827 1.00 72.23 C ATOM 1778 CZ PHE A 109 -8.588 -21.889 -14.744 1.00 31.12 C ATOM 0 H PHE A 109 -11.836 -16.410 -12.413 1.00 62.31 H new ATOM 0 HA PHE A 109 -9.380 -16.949 -13.879 1.00 24.14 H new ATOM 0 HB2 PHE A 109 -10.058 -18.330 -11.937 1.00 71.34 H new ATOM 0 HB3 PHE A 109 -11.560 -18.752 -12.737 1.00 71.34 H new ATOM 0 HD1 PHE A 109 -7.861 -19.127 -12.956 1.00 73.03 H new ATOM 0 HD2 PHE A 109 -11.650 -20.553 -14.303 1.00 60.31 H new ATOM 0 HE1 PHE A 109 -6.764 -21.058 -14.003 1.00 55.01 H new ATOM 0 HE2 PHE A 109 -10.549 -22.480 -15.354 1.00 72.23 H new ATOM 0 HZ PHE A 109 -8.105 -22.738 -15.205 1.00 31.12 H new ATOM 1788 N LEU A 110 -10.206 -17.362 -16.176 1.00 42.03 N ATOM 1789 CA LEU A 110 -10.654 -17.578 -17.557 1.00 15.41 C ATOM 1790 C LEU A 110 -9.847 -18.694 -18.240 1.00 60.01 C ATOM 1791 O LEU A 110 -8.628 -18.794 -18.072 1.00 74.02 O ATOM 1792 CB LEU A 110 -10.552 -16.268 -18.352 1.00 55.31 C ATOM 1793 CG LEU A 110 -11.482 -15.139 -17.870 1.00 60.44 C ATOM 1794 CD1 LEU A 110 -11.295 -13.882 -18.713 1.00 2.54 C ATOM 1795 CD2 LEU A 110 -12.942 -15.595 -17.899 1.00 41.03 C ATOM 0 H LEU A 110 -9.217 -17.128 -16.089 1.00 42.03 H new ATOM 0 HA LEU A 110 -11.696 -17.897 -17.532 1.00 15.41 H new ATOM 0 HB2 LEU A 110 -9.522 -15.913 -18.308 1.00 55.31 H new ATOM 0 HB3 LEU A 110 -10.773 -16.478 -19.399 1.00 55.31 H new ATOM 0 HG LEU A 110 -11.217 -14.898 -16.841 1.00 60.44 H new ATOM 0 HD11 LEU A 110 -11.963 -13.100 -18.353 1.00 2.54 H new ATOM 0 HD12 LEU A 110 -10.262 -13.542 -18.635 1.00 2.54 H new ATOM 0 HD13 LEU A 110 -11.526 -14.105 -19.755 1.00 2.54 H new ATOM 0 HD21 LEU A 110 -13.583 -14.784 -17.555 1.00 41.03 H new ATOM 0 HD22 LEU A 110 -13.218 -15.869 -18.917 1.00 41.03 H new ATOM 0 HD23 LEU A 110 -13.067 -16.458 -17.245 1.00 41.03 H new ATOM 1807 N ASP A 111 -10.537 -19.517 -19.026 1.00 51.21 N ATOM 1808 CA ASP A 111 -9.947 -20.721 -19.618 1.00 73.54 C ATOM 1809 C ASP A 111 -9.075 -20.411 -20.853 1.00 3.02 C ATOM 1810 O ASP A 111 -9.515 -19.747 -21.793 1.00 44.22 O ATOM 1811 CB ASP A 111 -11.060 -21.716 -19.982 1.00 12.54 C ATOM 1812 CG ASP A 111 -12.039 -21.160 -21.005 1.00 44.13 C ATOM 1813 OD1 ASP A 111 -12.565 -20.046 -20.793 1.00 51.24 O ATOM 1814 OD2 ASP A 111 -12.281 -21.831 -22.033 1.00 20.21 O ATOM 0 H ASP A 111 -11.516 -19.372 -19.271 1.00 51.21 H new ATOM 0 HA ASP A 111 -9.286 -21.162 -18.872 1.00 73.54 H new ATOM 0 HB2 ASP A 111 -10.611 -22.628 -20.375 1.00 12.54 H new ATOM 0 HB3 ASP A 111 -11.604 -21.992 -19.078 1.00 12.54 H new ATOM 1819 N ALA A 112 -7.826 -20.888 -20.825 1.00 61.14 N ATOM 1820 CA ALA A 112 -6.892 -20.765 -21.958 1.00 3.23 C ATOM 1821 C ALA A 112 -6.578 -19.304 -22.335 1.00 61.13 C ATOM 1822 O ALA A 112 -5.893 -19.047 -23.324 1.00 53.33 O ATOM 1823 CB ALA A 112 -7.435 -21.516 -23.170 1.00 33.11 C ATOM 0 H ALA A 112 -7.431 -21.371 -20.018 1.00 61.14 H new ATOM 0 HA ALA A 112 -5.951 -21.211 -21.635 1.00 3.23 H new ATOM 0 HB1 ALA A 112 -6.737 -21.418 -24.001 1.00 33.11 H new ATOM 0 HB2 ALA A 112 -7.557 -22.570 -22.920 1.00 33.11 H new ATOM 0 HB3 ALA A 112 -8.400 -21.097 -23.455 1.00 33.11 H new ATOM 1829 N GLN A 113 -7.049 -18.352 -21.538 1.00 12.12 N ATOM 1830 CA GLN A 113 -6.855 -16.928 -21.839 1.00 33.15 C ATOM 1831 C GLN A 113 -5.486 -16.420 -21.365 1.00 60.22 C ATOM 1832 O GLN A 113 -5.360 -15.282 -20.930 1.00 34.53 O ATOM 1833 CB GLN A 113 -7.976 -16.100 -21.191 1.00 1.51 C ATOM 1834 CG GLN A 113 -9.370 -16.441 -21.706 1.00 24.42 C ATOM 1835 CD GLN A 113 -9.510 -16.238 -23.206 1.00 55.35 C ATOM 1836 OE1 GLN A 113 -8.861 -15.381 -23.795 1.00 75.33 O ATOM 1837 NE2 GLN A 113 -10.357 -17.025 -23.835 1.00 0.32 N ATOM 0 H GLN A 113 -7.568 -18.534 -20.679 1.00 12.12 H new ATOM 0 HA GLN A 113 -6.890 -16.812 -22.922 1.00 33.15 H new ATOM 0 HB2 GLN A 113 -7.950 -16.253 -20.112 1.00 1.51 H new ATOM 0 HB3 GLN A 113 -7.782 -15.042 -21.368 1.00 1.51 H new ATOM 0 HG2 GLN A 113 -9.599 -17.478 -21.461 1.00 24.42 H new ATOM 0 HG3 GLN A 113 -10.104 -15.822 -21.190 1.00 24.42 H new ATOM 0 HE21 GLN A 113 -10.882 -17.728 -23.315 1.00 0.32 H new ATOM 0 HE22 GLN A 113 -10.488 -16.931 -24.842 1.00 0.32 H new ATOM 1846 N GLU A 114 -4.450 -17.249 -21.499 1.00 3.22 N ATOM 1847 CA GLU A 114 -3.100 -16.890 -21.037 1.00 11.34 C ATOM 1848 C GLU A 114 -2.598 -15.570 -21.658 1.00 44.02 C ATOM 1849 O GLU A 114 -1.765 -14.881 -21.068 1.00 63.03 O ATOM 1850 CB GLU A 114 -2.118 -18.031 -21.333 1.00 23.53 C ATOM 1851 CG GLU A 114 -2.078 -18.451 -22.796 1.00 53.34 C ATOM 1852 CD GLU A 114 -1.247 -19.703 -23.022 1.00 53.12 C ATOM 1853 OE1 GLU A 114 -1.735 -20.805 -22.697 1.00 4.12 O ATOM 1854 OE2 GLU A 114 -0.107 -19.594 -23.517 1.00 30.52 O ATOM 0 H GLU A 114 -4.515 -18.174 -21.923 1.00 3.22 H new ATOM 0 HA GLU A 114 -3.157 -16.734 -19.960 1.00 11.34 H new ATOM 0 HB2 GLU A 114 -1.118 -17.724 -21.026 1.00 23.53 H new ATOM 0 HB3 GLU A 114 -2.387 -18.895 -20.725 1.00 23.53 H new ATOM 0 HG2 GLU A 114 -3.095 -18.626 -23.148 1.00 53.34 H new ATOM 0 HG3 GLU A 114 -1.670 -17.636 -23.393 1.00 53.34 H new ATOM 1861 N LEU A 115 -3.111 -15.222 -22.841 1.00 3.52 N ATOM 1862 CA LEU A 115 -2.785 -13.938 -23.478 1.00 61.23 C ATOM 1863 C LEU A 115 -3.582 -12.793 -22.829 1.00 21.20 C ATOM 1864 O LEU A 115 -3.011 -11.814 -22.343 1.00 33.14 O ATOM 1865 CB LEU A 115 -3.083 -13.972 -24.991 1.00 52.33 C ATOM 1866 CG LEU A 115 -2.283 -14.989 -25.829 1.00 52.43 C ATOM 1867 CD1 LEU A 115 -0.789 -14.893 -25.534 1.00 43.12 C ATOM 1868 CD2 LEU A 115 -2.795 -16.412 -25.613 1.00 64.41 C ATOM 0 H LEU A 115 -3.752 -15.807 -23.377 1.00 3.52 H new ATOM 0 HA LEU A 115 -1.718 -13.765 -23.334 1.00 61.23 H new ATOM 0 HB2 LEU A 115 -4.145 -14.180 -25.125 1.00 52.33 H new ATOM 0 HB3 LEU A 115 -2.900 -12.977 -25.397 1.00 52.33 H new ATOM 0 HG LEU A 115 -2.433 -14.739 -26.879 1.00 52.43 H new ATOM 0 HD11 LEU A 115 -0.251 -15.622 -26.140 1.00 43.12 H new ATOM 0 HD12 LEU A 115 -0.435 -13.890 -25.773 1.00 43.12 H new ATOM 0 HD13 LEU A 115 -0.613 -15.098 -24.478 1.00 43.12 H new ATOM 0 HD21 LEU A 115 -2.210 -17.105 -26.218 1.00 64.41 H new ATOM 0 HD22 LEU A 115 -2.698 -16.678 -24.560 1.00 64.41 H new ATOM 0 HD23 LEU A 115 -3.843 -16.470 -25.906 1.00 64.41 H new ATOM 1880 N ALA A 116 -4.908 -12.932 -22.819 1.00 73.11 N ATOM 1881 CA ALA A 116 -5.804 -11.906 -22.265 1.00 23.15 C ATOM 1882 C ALA A 116 -5.529 -11.629 -20.775 1.00 1.12 C ATOM 1883 O ALA A 116 -5.576 -10.482 -20.331 1.00 64.41 O ATOM 1884 CB ALA A 116 -7.259 -12.321 -22.471 1.00 43.24 C ATOM 0 H ALA A 116 -5.392 -13.750 -23.190 1.00 73.11 H new ATOM 0 HA ALA A 116 -5.610 -10.977 -22.801 1.00 23.15 H new ATOM 0 HB1 ALA A 116 -7.917 -11.557 -22.058 1.00 43.24 H new ATOM 0 HB2 ALA A 116 -7.458 -12.434 -23.537 1.00 43.24 H new ATOM 0 HB3 ALA A 116 -7.442 -13.269 -21.965 1.00 43.24 H new ATOM 1890 N LYS A 117 -5.230 -12.685 -20.019 1.00 73.44 N ATOM 1891 CA LYS A 117 -4.948 -12.571 -18.578 1.00 71.45 C ATOM 1892 C LYS A 117 -3.835 -11.556 -18.279 1.00 63.23 C ATOM 1893 O LYS A 117 -3.816 -10.946 -17.211 1.00 4.52 O ATOM 1894 CB LYS A 117 -4.573 -13.942 -17.995 1.00 30.01 C ATOM 1895 CG LYS A 117 -5.734 -14.935 -17.927 1.00 65.21 C ATOM 1896 CD LYS A 117 -6.841 -14.467 -16.981 1.00 51.44 C ATOM 1897 CE LYS A 117 -6.341 -14.313 -15.549 1.00 1.22 C ATOM 1898 NZ LYS A 117 -5.796 -15.583 -15.002 1.00 64.53 N ATOM 0 H LYS A 117 -5.175 -13.638 -20.379 1.00 73.44 H new ATOM 0 HA LYS A 117 -5.860 -12.209 -18.104 1.00 71.45 H new ATOM 0 HB2 LYS A 117 -3.775 -14.375 -18.598 1.00 30.01 H new ATOM 0 HB3 LYS A 117 -4.172 -13.800 -16.991 1.00 30.01 H new ATOM 0 HG2 LYS A 117 -6.148 -15.076 -18.926 1.00 65.21 H new ATOM 0 HG3 LYS A 117 -5.362 -15.904 -17.596 1.00 65.21 H new ATOM 0 HD2 LYS A 117 -7.238 -13.514 -17.331 1.00 51.44 H new ATOM 0 HD3 LYS A 117 -7.663 -15.182 -17.003 1.00 51.44 H new ATOM 0 HE2 LYS A 117 -5.568 -13.545 -15.517 1.00 1.22 H new ATOM 0 HE3 LYS A 117 -7.159 -13.969 -14.916 1.00 1.22 H new ATOM 0 HZ1 LYS A 117 -5.626 -15.477 -13.981 1.00 64.53 H new ATOM 0 HZ2 LYS A 117 -6.479 -16.351 -15.161 1.00 64.53 H new ATOM 0 HZ3 LYS A 117 -4.901 -15.811 -15.480 1.00 64.53 H new ATOM 1912 N ALA A 118 -2.916 -11.367 -19.224 1.00 12.13 N ATOM 1913 CA ALA A 118 -1.842 -10.378 -19.063 1.00 63.15 C ATOM 1914 C ALA A 118 -2.407 -8.972 -18.797 1.00 73.35 C ATOM 1915 O ALA A 118 -1.819 -8.180 -18.062 1.00 0.43 O ATOM 1916 CB ALA A 118 -0.942 -10.369 -20.294 1.00 11.40 C ATOM 0 H ALA A 118 -2.890 -11.880 -20.105 1.00 12.13 H new ATOM 0 HA ALA A 118 -1.249 -10.666 -18.195 1.00 63.15 H new ATOM 0 HB1 ALA A 118 -0.151 -9.631 -20.161 1.00 11.40 H new ATOM 0 HB2 ALA A 118 -0.499 -11.356 -20.428 1.00 11.40 H new ATOM 0 HB3 ALA A 118 -1.532 -10.113 -21.174 1.00 11.40 H new ATOM 1922 N ALA A 119 -3.562 -8.677 -19.390 1.00 52.15 N ATOM 1923 CA ALA A 119 -4.244 -7.399 -19.166 1.00 55.22 C ATOM 1924 C ALA A 119 -4.873 -7.332 -17.763 1.00 11.12 C ATOM 1925 O ALA A 119 -5.059 -6.249 -17.207 1.00 24.14 O ATOM 1926 CB ALA A 119 -5.306 -7.175 -20.238 1.00 12.14 C ATOM 0 H ALA A 119 -4.048 -9.305 -20.030 1.00 52.15 H new ATOM 0 HA ALA A 119 -3.499 -6.606 -19.231 1.00 55.22 H new ATOM 0 HB1 ALA A 119 -5.806 -6.223 -20.061 1.00 12.14 H new ATOM 0 HB2 ALA A 119 -4.834 -7.160 -21.220 1.00 12.14 H new ATOM 0 HB3 ALA A 119 -6.038 -7.982 -20.199 1.00 12.14 H new ATOM 1932 N GLU A 120 -5.201 -8.499 -17.202 1.00 51.44 N ATOM 1933 CA GLU A 120 -5.780 -8.592 -15.852 1.00 74.40 C ATOM 1934 C GLU A 120 -4.694 -8.518 -14.767 1.00 64.32 C ATOM 1935 O GLU A 120 -4.760 -7.666 -13.874 1.00 25.45 O ATOM 1936 CB GLU A 120 -6.595 -9.893 -15.709 1.00 1.14 C ATOM 1937 CG GLU A 120 -8.021 -9.808 -16.256 1.00 70.11 C ATOM 1938 CD GLU A 120 -8.096 -9.335 -17.702 1.00 71.40 C ATOM 1939 OE1 GLU A 120 -8.066 -10.183 -18.619 1.00 11.14 O ATOM 1940 OE2 GLU A 120 -8.207 -8.111 -17.925 1.00 32.42 O ATOM 0 H GLU A 120 -5.076 -9.400 -17.663 1.00 51.44 H new ATOM 0 HA GLU A 120 -6.445 -7.739 -15.714 1.00 74.40 H new ATOM 0 HB2 GLU A 120 -6.068 -10.696 -16.225 1.00 1.14 H new ATOM 0 HB3 GLU A 120 -6.639 -10.166 -14.655 1.00 1.14 H new ATOM 0 HG2 GLU A 120 -8.489 -10.789 -16.180 1.00 70.11 H new ATOM 0 HG3 GLU A 120 -8.601 -9.129 -15.631 1.00 70.11 H new ATOM 1947 N GLU A 121 -3.700 -9.406 -14.843 1.00 71.53 N ATOM 1948 CA GLU A 121 -2.575 -9.385 -13.897 1.00 20.32 C ATOM 1949 C GLU A 121 -1.870 -8.021 -13.874 1.00 65.45 C ATOM 1950 O GLU A 121 -1.539 -7.506 -12.808 1.00 72.24 O ATOM 1951 CB GLU A 121 -1.552 -10.493 -14.208 1.00 63.13 C ATOM 1952 CG GLU A 121 -1.908 -11.867 -13.639 1.00 53.13 C ATOM 1953 CD GLU A 121 -2.983 -12.601 -14.426 1.00 21.23 C ATOM 1954 OE1 GLU A 121 -2.629 -13.357 -15.356 1.00 22.34 O ATOM 1955 OE2 GLU A 121 -4.177 -12.455 -14.093 1.00 55.12 O ATOM 0 H GLU A 121 -3.648 -10.145 -15.544 1.00 71.53 H new ATOM 0 HA GLU A 121 -3.001 -9.568 -12.910 1.00 20.32 H new ATOM 0 HB2 GLU A 121 -1.447 -10.579 -15.290 1.00 63.13 H new ATOM 0 HB3 GLU A 121 -0.580 -10.193 -13.816 1.00 63.13 H new ATOM 0 HG2 GLU A 121 -1.008 -12.482 -13.611 1.00 53.13 H new ATOM 0 HG3 GLU A 121 -2.244 -11.747 -12.609 1.00 53.13 H new ATOM 1962 N GLU A 122 -1.637 -7.427 -15.043 1.00 34.43 N ATOM 1963 CA GLU A 122 -0.994 -6.108 -15.110 1.00 52.25 C ATOM 1964 C GLU A 122 -1.975 -4.962 -14.796 1.00 4.30 C ATOM 1965 O GLU A 122 -1.662 -3.789 -15.004 1.00 62.53 O ATOM 1966 CB GLU A 122 -0.315 -5.897 -16.476 1.00 15.43 C ATOM 1967 CG GLU A 122 1.072 -6.542 -16.596 1.00 43.21 C ATOM 1968 CD GLU A 122 1.051 -8.067 -16.620 1.00 52.21 C ATOM 1969 OE1 GLU A 122 1.001 -8.693 -15.536 1.00 13.54 O ATOM 1970 OE2 GLU A 122 1.108 -8.648 -17.727 1.00 54.52 O ATOM 0 H GLU A 122 -1.879 -7.829 -15.949 1.00 34.43 H new ATOM 0 HA GLU A 122 -0.226 -6.087 -14.337 1.00 52.25 H new ATOM 0 HB2 GLU A 122 -0.960 -6.302 -17.256 1.00 15.43 H new ATOM 0 HB3 GLU A 122 -0.223 -4.827 -16.662 1.00 15.43 H new ATOM 0 HG2 GLU A 122 1.551 -6.182 -17.507 1.00 43.21 H new ATOM 0 HG3 GLU A 122 1.688 -6.211 -15.760 1.00 43.21 H new ATOM 1977 N MET A 123 -3.162 -5.306 -14.288 1.00 33.00 N ATOM 1978 CA MET A 123 -4.107 -4.309 -13.766 1.00 32.23 C ATOM 1979 C MET A 123 -4.412 -4.554 -12.281 1.00 2.00 C ATOM 1980 O MET A 123 -3.864 -3.876 -11.416 1.00 45.43 O ATOM 1981 CB MET A 123 -5.411 -4.293 -14.579 1.00 2.11 C ATOM 1982 CG MET A 123 -5.308 -3.509 -15.880 1.00 53.12 C ATOM 1983 SD MET A 123 -4.892 -1.774 -15.605 1.00 21.30 S ATOM 1984 CE MET A 123 -5.000 -1.129 -17.272 1.00 21.42 C ATOM 0 H MET A 123 -3.494 -6.269 -14.226 1.00 33.00 H new ATOM 0 HA MET A 123 -3.631 -3.333 -13.864 1.00 32.23 H new ATOM 0 HB2 MET A 123 -5.701 -5.319 -14.805 1.00 2.11 H new ATOM 0 HB3 MET A 123 -6.205 -3.864 -13.968 1.00 2.11 H new ATOM 0 HG2 MET A 123 -4.550 -3.965 -16.517 1.00 53.12 H new ATOM 0 HG3 MET A 123 -6.255 -3.572 -16.416 1.00 53.12 H new ATOM 0 HE1 MET A 123 -4.769 -0.064 -17.266 1.00 21.42 H new ATOM 0 HE2 MET A 123 -4.288 -1.651 -17.911 1.00 21.42 H new ATOM 0 HE3 MET A 123 -6.009 -1.279 -17.655 1.00 21.42 H new ATOM 1994 N LEU A 124 -5.246 -5.556 -11.987 1.00 15.31 N ATOM 1995 CA LEU A 124 -5.738 -5.792 -10.616 1.00 15.13 C ATOM 1996 C LEU A 124 -4.597 -5.963 -9.597 1.00 74.21 C ATOM 1997 O LEU A 124 -4.707 -5.526 -8.451 1.00 60.12 O ATOM 1998 CB LEU A 124 -6.652 -7.025 -10.579 1.00 33.42 C ATOM 1999 CG LEU A 124 -7.912 -6.937 -11.458 1.00 63.23 C ATOM 2000 CD1 LEU A 124 -8.779 -8.179 -11.288 1.00 24.23 C ATOM 2001 CD2 LEU A 124 -8.711 -5.671 -11.145 1.00 44.13 C ATOM 0 H LEU A 124 -5.598 -6.220 -12.677 1.00 15.31 H new ATOM 0 HA LEU A 124 -6.302 -4.904 -10.330 1.00 15.13 H new ATOM 0 HB2 LEU A 124 -6.073 -7.895 -10.889 1.00 33.42 H new ATOM 0 HB3 LEU A 124 -6.960 -7.198 -9.548 1.00 33.42 H new ATOM 0 HG LEU A 124 -7.592 -6.885 -12.499 1.00 63.23 H new ATOM 0 HD11 LEU A 124 -9.664 -8.094 -11.919 1.00 24.23 H new ATOM 0 HD12 LEU A 124 -8.210 -9.062 -11.578 1.00 24.23 H new ATOM 0 HD13 LEU A 124 -9.084 -8.270 -10.246 1.00 24.23 H new ATOM 0 HD21 LEU A 124 -9.596 -5.633 -11.780 1.00 44.13 H new ATOM 0 HD22 LEU A 124 -9.015 -5.682 -10.098 1.00 44.13 H new ATOM 0 HD23 LEU A 124 -8.092 -4.794 -11.333 1.00 44.13 H new ATOM 2013 N TYR A 125 -3.506 -6.592 -10.026 1.00 44.24 N ATOM 2014 CA TYR A 125 -2.349 -6.837 -9.153 1.00 4.24 C ATOM 2015 C TYR A 125 -1.746 -5.522 -8.620 1.00 23.43 C ATOM 2016 O TYR A 125 -1.556 -5.358 -7.414 1.00 53.45 O ATOM 2017 CB TYR A 125 -1.294 -7.636 -9.926 1.00 20.51 C ATOM 2018 CG TYR A 125 -0.086 -8.046 -9.109 1.00 71.24 C ATOM 2019 CD1 TYR A 125 -0.137 -9.145 -8.259 1.00 14.54 C ATOM 2020 CD2 TYR A 125 1.112 -7.341 -9.199 1.00 35.13 C ATOM 2021 CE1 TYR A 125 0.965 -9.525 -7.522 1.00 32.32 C ATOM 2022 CE2 TYR A 125 2.217 -7.719 -8.466 1.00 52.31 C ATOM 2023 CZ TYR A 125 2.138 -8.811 -7.630 1.00 4.24 C ATOM 2024 OH TYR A 125 3.240 -9.196 -6.901 1.00 23.31 O ATOM 0 H TYR A 125 -3.394 -6.945 -10.976 1.00 44.24 H new ATOM 0 HA TYR A 125 -2.685 -7.409 -8.288 1.00 4.24 H new ATOM 0 HB2 TYR A 125 -1.762 -8.533 -10.332 1.00 20.51 H new ATOM 0 HB3 TYR A 125 -0.957 -7.041 -10.774 1.00 20.51 H new ATOM 0 HD1 TYR A 125 -1.054 -9.710 -8.175 1.00 14.54 H new ATOM 0 HD2 TYR A 125 1.176 -6.484 -9.854 1.00 35.13 H new ATOM 0 HE1 TYR A 125 0.909 -10.379 -6.863 1.00 32.32 H new ATOM 0 HE2 TYR A 125 3.139 -7.162 -8.547 1.00 52.31 H new ATOM 0 HH TYR A 125 3.986 -8.590 -7.091 1.00 23.31 H new ATOM 2034 N LYS A 126 -1.446 -4.589 -9.525 1.00 23.53 N ATOM 2035 CA LYS A 126 -0.883 -3.287 -9.133 1.00 62.34 C ATOM 2036 C LYS A 126 -1.985 -2.347 -8.614 1.00 63.11 C ATOM 2037 O LYS A 126 -1.743 -1.496 -7.763 1.00 64.01 O ATOM 2038 CB LYS A 126 -0.152 -2.630 -10.318 1.00 2.42 C ATOM 2039 CG LYS A 126 -1.072 -2.195 -11.457 1.00 23.42 C ATOM 2040 CD LYS A 126 -0.309 -1.456 -12.553 1.00 64.01 C ATOM 2041 CE LYS A 126 -1.251 -0.865 -13.598 1.00 11.01 C ATOM 2042 NZ LYS A 126 -0.514 -0.136 -14.662 1.00 10.22 N ATOM 0 H LYS A 126 -1.581 -4.705 -10.529 1.00 23.53 H new ATOM 0 HA LYS A 126 -0.166 -3.463 -8.331 1.00 62.34 H new ATOM 0 HB2 LYS A 126 0.395 -1.760 -9.956 1.00 2.42 H new ATOM 0 HB3 LYS A 126 0.586 -3.331 -10.709 1.00 2.42 H new ATOM 0 HG2 LYS A 126 -1.562 -3.071 -11.883 1.00 23.42 H new ATOM 0 HG3 LYS A 126 -1.858 -1.550 -11.063 1.00 23.42 H new ATOM 0 HD2 LYS A 126 0.286 -0.659 -12.108 1.00 64.01 H new ATOM 0 HD3 LYS A 126 0.387 -2.141 -13.037 1.00 64.01 H new ATOM 0 HE2 LYS A 126 -1.841 -1.664 -14.048 1.00 11.01 H new ATOM 0 HE3 LYS A 126 -1.952 -0.186 -13.112 1.00 11.01 H new ATOM 0 HZ1 LYS A 126 -1.191 0.250 -15.351 1.00 10.22 H new ATOM 0 HZ2 LYS A 126 0.029 0.643 -14.237 1.00 10.22 H new ATOM 0 HZ3 LYS A 126 0.136 -0.789 -15.144 1.00 10.22 H new ATOM 2056 N ASP A 127 -3.196 -2.527 -9.135 1.00 44.05 N ATOM 2057 CA ASP A 127 -4.353 -1.716 -8.750 1.00 73.35 C ATOM 2058 C ASP A 127 -4.665 -1.878 -7.252 1.00 53.42 C ATOM 2059 O ASP A 127 -4.974 -0.910 -6.560 1.00 53.44 O ATOM 2060 CB ASP A 127 -5.555 -2.119 -9.613 1.00 54.45 C ATOM 2061 CG ASP A 127 -6.794 -1.292 -9.344 1.00 5.45 C ATOM 2062 OD1 ASP A 127 -6.696 -0.049 -9.349 1.00 2.10 O ATOM 2063 OD2 ASP A 127 -7.872 -1.884 -9.129 1.00 43.32 O ATOM 0 H ASP A 127 -3.405 -3.238 -9.836 1.00 44.05 H new ATOM 0 HA ASP A 127 -4.129 -0.663 -8.919 1.00 73.35 H new ATOM 0 HB2 ASP A 127 -5.285 -2.024 -10.665 1.00 54.45 H new ATOM 0 HB3 ASP A 127 -5.784 -3.170 -9.436 1.00 54.45 H new ATOM 2068 N MET A 128 -4.563 -3.109 -6.757 1.00 64.25 N ATOM 2069 CA MET A 128 -4.733 -3.389 -5.325 1.00 22.44 C ATOM 2070 C MET A 128 -3.679 -2.641 -4.484 1.00 61.21 C ATOM 2071 O MET A 128 -3.958 -2.183 -3.371 1.00 14.52 O ATOM 2072 CB MET A 128 -4.650 -4.901 -5.081 1.00 33.42 C ATOM 2073 CG MET A 128 -4.839 -5.312 -3.627 1.00 35.20 C ATOM 2074 SD MET A 128 -4.846 -7.102 -3.415 1.00 45.33 S ATOM 2075 CE MET A 128 -3.251 -7.543 -4.101 1.00 64.55 C ATOM 0 H MET A 128 -4.363 -3.933 -7.324 1.00 64.25 H new ATOM 0 HA MET A 128 -5.715 -3.032 -5.014 1.00 22.44 H new ATOM 0 HB2 MET A 128 -5.407 -5.397 -5.688 1.00 33.42 H new ATOM 0 HB3 MET A 128 -3.680 -5.260 -5.425 1.00 33.42 H new ATOM 0 HG2 MET A 128 -4.041 -4.880 -3.023 1.00 35.20 H new ATOM 0 HG3 MET A 128 -5.778 -4.901 -3.255 1.00 35.20 H new ATOM 0 HE1 MET A 128 -2.883 -8.446 -3.614 1.00 64.55 H new ATOM 0 HE2 MET A 128 -3.352 -7.723 -5.171 1.00 64.55 H new ATOM 0 HE3 MET A 128 -2.546 -6.728 -3.936 1.00 64.55 H new ATOM 2085 N GLN A 129 -2.470 -2.517 -5.031 1.00 21.01 N ATOM 2086 CA GLN A 129 -1.398 -1.745 -4.388 1.00 21.21 C ATOM 2087 C GLN A 129 -1.696 -0.236 -4.461 1.00 1.32 C ATOM 2088 O GLN A 129 -1.391 0.514 -3.529 1.00 21.01 O ATOM 2089 CB GLN A 129 -0.042 -2.075 -5.051 1.00 74.01 C ATOM 2090 CG GLN A 129 1.167 -1.312 -4.485 1.00 3.41 C ATOM 2091 CD GLN A 129 1.385 0.057 -5.128 1.00 63.43 C ATOM 2092 OE1 GLN A 129 1.077 0.268 -6.296 1.00 71.23 O ATOM 2093 NE2 GLN A 129 1.926 0.996 -4.373 1.00 2.31 N ATOM 0 H GLN A 129 -2.205 -2.941 -5.920 1.00 21.01 H new ATOM 0 HA GLN A 129 -1.346 -2.022 -3.335 1.00 21.21 H new ATOM 0 HB2 GLN A 129 0.143 -3.144 -4.949 1.00 74.01 H new ATOM 0 HB3 GLN A 129 -0.117 -1.865 -6.118 1.00 74.01 H new ATOM 0 HG2 GLN A 129 1.033 -1.182 -3.411 1.00 3.41 H new ATOM 0 HG3 GLN A 129 2.064 -1.916 -4.624 1.00 3.41 H new ATOM 0 HE21 GLN A 129 2.172 0.793 -3.404 1.00 2.31 H new ATOM 0 HE22 GLN A 129 2.097 1.925 -4.759 1.00 2.31 H new ATOM 2102 N LYS A 130 -2.301 0.196 -5.570 1.00 70.02 N ATOM 2103 CA LYS A 130 -2.686 1.601 -5.754 1.00 25.32 C ATOM 2104 C LYS A 130 -3.619 2.068 -4.626 1.00 44.44 C ATOM 2105 O LYS A 130 -3.393 3.112 -4.012 1.00 61.53 O ATOM 2106 CB LYS A 130 -3.382 1.786 -7.108 1.00 54.22 C ATOM 2107 CG LYS A 130 -3.655 3.243 -7.467 1.00 53.35 C ATOM 2108 CD LYS A 130 -4.451 3.374 -8.762 1.00 34.42 C ATOM 2109 CE LYS A 130 -4.517 4.820 -9.238 1.00 51.23 C ATOM 2110 NZ LYS A 130 -3.166 5.355 -9.559 1.00 12.41 N ATOM 0 H LYS A 130 -2.536 -0.408 -6.358 1.00 70.02 H new ATOM 0 HA LYS A 130 -1.779 2.205 -5.727 1.00 25.32 H new ATOM 0 HB2 LYS A 130 -2.764 1.339 -7.887 1.00 54.22 H new ATOM 0 HB3 LYS A 130 -4.326 1.241 -7.098 1.00 54.22 H new ATOM 0 HG2 LYS A 130 -4.204 3.720 -6.655 1.00 53.35 H new ATOM 0 HG3 LYS A 130 -2.709 3.775 -7.568 1.00 53.35 H new ATOM 0 HD2 LYS A 130 -3.993 2.757 -9.535 1.00 34.42 H new ATOM 0 HD3 LYS A 130 -5.461 2.995 -8.608 1.00 34.42 H new ATOM 0 HE2 LYS A 130 -5.153 4.884 -10.121 1.00 51.23 H new ATOM 0 HE3 LYS A 130 -4.979 5.436 -8.467 1.00 51.23 H new ATOM 0 HZ1 LYS A 130 -3.259 6.183 -10.181 1.00 12.41 H new ATOM 0 HZ2 LYS A 130 -2.685 5.635 -8.680 1.00 12.41 H new ATOM 0 HZ3 LYS A 130 -2.608 4.622 -10.041 1.00 12.41 H new ATOM 2124 N ASP A 131 -4.670 1.292 -4.365 1.00 34.33 N ATOM 2125 CA ASP A 131 -5.570 1.557 -3.237 1.00 2.52 C ATOM 2126 C ASP A 131 -4.783 1.727 -1.929 1.00 61.22 C ATOM 2127 O ASP A 131 -4.953 2.711 -1.208 1.00 63.23 O ATOM 2128 CB ASP A 131 -6.576 0.409 -3.083 1.00 34.20 C ATOM 2129 CG ASP A 131 -7.619 0.379 -4.182 1.00 22.44 C ATOM 2130 OD1 ASP A 131 -7.247 0.362 -5.366 1.00 75.24 O ATOM 2131 OD2 ASP A 131 -8.827 0.349 -3.859 1.00 73.44 O ATOM 0 H ASP A 131 -4.922 0.473 -4.919 1.00 34.33 H new ATOM 0 HA ASP A 131 -6.103 2.485 -3.445 1.00 2.52 H new ATOM 0 HB2 ASP A 131 -6.038 -0.539 -3.076 1.00 34.20 H new ATOM 0 HB3 ASP A 131 -7.076 0.499 -2.119 1.00 34.20 H new ATOM 2136 N ALA A 132 -3.906 0.764 -1.650 1.00 71.41 N ATOM 2137 CA ALA A 132 -3.119 0.747 -0.415 1.00 61.51 C ATOM 2138 C ALA A 132 -2.326 2.048 -0.204 1.00 10.24 C ATOM 2139 O ALA A 132 -2.459 2.703 0.830 1.00 73.30 O ATOM 2140 CB ALA A 132 -2.178 -0.453 -0.415 1.00 71.10 C ATOM 0 H ALA A 132 -3.720 -0.024 -2.270 1.00 71.41 H new ATOM 0 HA ALA A 132 -3.820 0.664 0.416 1.00 61.51 H new ATOM 0 HB1 ALA A 132 -1.596 -0.459 0.507 1.00 71.10 H new ATOM 0 HB2 ALA A 132 -2.760 -1.372 -0.482 1.00 71.10 H new ATOM 0 HB3 ALA A 132 -1.504 -0.387 -1.269 1.00 71.10 H new ATOM 2146 N VAL A 133 -1.507 2.423 -1.189 1.00 64.31 N ATOM 2147 CA VAL A 133 -0.653 3.614 -1.068 1.00 43.25 C ATOM 2148 C VAL A 133 -1.476 4.904 -0.878 1.00 44.34 C ATOM 2149 O VAL A 133 -1.068 5.808 -0.144 1.00 52.23 O ATOM 2150 CB VAL A 133 0.296 3.763 -2.290 1.00 1.51 C ATOM 2151 CG1 VAL A 133 -0.488 3.902 -3.591 1.00 24.20 C ATOM 2152 CG2 VAL A 133 1.251 4.941 -2.102 1.00 72.54 C ATOM 0 H VAL A 133 -1.415 1.925 -2.075 1.00 64.31 H new ATOM 0 HA VAL A 133 -0.048 3.467 -0.173 1.00 43.25 H new ATOM 0 HB VAL A 133 0.890 2.852 -2.357 1.00 1.51 H new ATOM 0 HG11 VAL A 133 0.206 4.004 -4.425 1.00 24.20 H new ATOM 0 HG12 VAL A 133 -1.106 3.017 -3.740 1.00 24.20 H new ATOM 0 HG13 VAL A 133 -1.125 4.785 -3.539 1.00 24.20 H new ATOM 0 HG21 VAL A 133 1.904 5.023 -2.971 1.00 72.54 H new ATOM 0 HG22 VAL A 133 0.677 5.861 -1.992 1.00 72.54 H new ATOM 0 HG23 VAL A 133 1.855 4.781 -1.209 1.00 72.54 H new ATOM 2162 N GLN A 134 -2.639 4.984 -1.529 1.00 64.33 N ATOM 2163 CA GLN A 134 -3.528 6.145 -1.371 1.00 64.44 C ATOM 2164 C GLN A 134 -4.160 6.166 0.033 1.00 31.15 C ATOM 2165 O GLN A 134 -4.284 7.224 0.658 1.00 61.44 O ATOM 2166 CB GLN A 134 -4.628 6.135 -2.444 1.00 74.43 C ATOM 2167 CG GLN A 134 -4.099 6.088 -3.877 1.00 41.11 C ATOM 2168 CD GLN A 134 -3.207 7.270 -4.230 1.00 10.35 C ATOM 2169 OE1 GLN A 134 -1.920 7.135 -3.991 1.00 62.22 O flip ATOM 2170 NE2 GLN A 134 -3.670 8.294 -4.720 1.00 30.12 N flip ATOM 0 H GLN A 134 -2.988 4.267 -2.166 1.00 64.33 H new ATOM 0 HA GLN A 134 -2.927 7.046 -1.493 1.00 64.44 H new ATOM 0 HB2 GLN A 134 -5.275 5.274 -2.278 1.00 74.43 H new ATOM 0 HB3 GLN A 134 -5.246 7.025 -2.325 1.00 74.43 H new ATOM 0 HG2 GLN A 134 -3.539 5.164 -4.020 1.00 41.11 H new ATOM 0 HG3 GLN A 134 -4.942 6.059 -4.567 1.00 41.11 H new ATOM 0 HE21 GLN A 134 -4.672 8.368 -4.893 1.00 30.12 H new ATOM 0 HE22 GLN A 134 -3.053 9.072 -4.954 1.00 30.12 H new ATOM 2179 N GLN A 135 -4.547 4.985 0.521 1.00 50.42 N ATOM 2180 CA GLN A 135 -5.111 4.841 1.869 1.00 53.21 C ATOM 2181 C GLN A 135 -4.124 5.318 2.949 1.00 71.53 C ATOM 2182 O GLN A 135 -4.518 6.008 3.894 1.00 62.33 O ATOM 2183 CB GLN A 135 -5.507 3.378 2.130 1.00 1.12 C ATOM 2184 CG GLN A 135 -6.707 2.899 1.316 1.00 3.23 C ATOM 2185 CD GLN A 135 -8.010 3.548 1.752 1.00 4.33 C ATOM 2186 OE1 GLN A 135 -8.393 4.605 1.259 1.00 43.33 O ATOM 2187 NE2 GLN A 135 -8.699 2.923 2.684 1.00 52.11 N ATOM 0 H GLN A 135 -4.480 4.110 0.001 1.00 50.42 H new ATOM 0 HA GLN A 135 -6.000 5.470 1.923 1.00 53.21 H new ATOM 0 HB2 GLN A 135 -4.653 2.737 1.909 1.00 1.12 H new ATOM 0 HB3 GLN A 135 -5.730 3.257 3.190 1.00 1.12 H new ATOM 0 HG2 GLN A 135 -6.534 3.114 0.261 1.00 3.23 H new ATOM 0 HG3 GLN A 135 -6.796 1.817 1.410 1.00 3.23 H new ATOM 0 HE21 GLN A 135 -8.352 2.046 3.073 1.00 52.11 H new ATOM 0 HE22 GLN A 135 -9.579 3.316 3.017 1.00 52.11 H new ATOM 2196 N ILE A 136 -2.845 4.951 2.803 1.00 23.55 N ATOM 2197 CA ILE A 136 -1.805 5.387 3.746 1.00 64.53 C ATOM 2198 C ILE A 136 -1.765 6.920 3.839 1.00 74.14 C ATOM 2199 O ILE A 136 -1.925 7.494 4.916 1.00 32.14 O ATOM 2200 CB ILE A 136 -0.390 4.888 3.343 1.00 5.03 C ATOM 2201 CG1 ILE A 136 -0.377 3.366 3.124 1.00 11.31 C ATOM 2202 CG2 ILE A 136 0.630 5.274 4.417 1.00 44.25 C ATOM 2203 CD1 ILE A 136 0.955 2.829 2.642 1.00 53.51 C ATOM 0 H ILE A 136 -2.506 4.357 2.046 1.00 23.55 H new ATOM 0 HA ILE A 136 -2.068 4.951 4.710 1.00 64.53 H new ATOM 0 HB ILE A 136 -0.119 5.367 2.402 1.00 5.03 H new ATOM 0 HG12 ILE A 136 -0.641 2.872 4.059 1.00 11.31 H new ATOM 0 HG13 ILE A 136 -1.147 3.106 2.398 1.00 11.31 H new ATOM 0 HG21 ILE A 136 1.618 4.919 4.124 1.00 44.25 H new ATOM 0 HG22 ILE A 136 0.651 6.358 4.526 1.00 44.25 H new ATOM 0 HG23 ILE A 136 0.348 4.820 5.367 1.00 44.25 H new ATOM 0 HD11 ILE A 136 0.886 1.749 2.511 1.00 53.51 H new ATOM 0 HD12 ILE A 136 1.212 3.295 1.691 1.00 53.51 H new ATOM 0 HD13 ILE A 136 1.727 3.056 3.378 1.00 53.51 H new ATOM 2215 N LEU A 137 -1.566 7.570 2.688 1.00 71.43 N ATOM 2216 CA LEU A 137 -1.506 9.035 2.612 1.00 40.42 C ATOM 2217 C LEU A 137 -2.740 9.685 3.260 1.00 64.41 C ATOM 2218 O LEU A 137 -2.627 10.647 4.027 1.00 10.31 O ATOM 2219 CB LEU A 137 -1.394 9.477 1.144 1.00 50.52 C ATOM 2220 CG LEU A 137 -1.342 10.996 0.923 1.00 52.33 C ATOM 2221 CD1 LEU A 137 -0.101 11.594 1.581 1.00 33.31 C ATOM 2222 CD2 LEU A 137 -1.386 11.333 -0.567 1.00 34.34 C ATOM 0 H LEU A 137 -1.443 7.102 1.790 1.00 71.43 H new ATOM 0 HA LEU A 137 -0.625 9.364 3.163 1.00 40.42 H new ATOM 0 HB2 LEU A 137 -0.497 9.032 0.714 1.00 50.52 H new ATOM 0 HB3 LEU A 137 -2.244 9.074 0.594 1.00 50.52 H new ATOM 0 HG LEU A 137 -2.221 11.438 1.392 1.00 52.33 H new ATOM 0 HD11 LEU A 137 -0.083 12.671 1.413 1.00 33.31 H new ATOM 0 HD12 LEU A 137 -0.125 11.394 2.652 1.00 33.31 H new ATOM 0 HD13 LEU A 137 0.793 11.144 1.148 1.00 33.31 H new ATOM 0 HD21 LEU A 137 -1.348 12.415 -0.697 1.00 34.34 H new ATOM 0 HD22 LEU A 137 -0.532 10.877 -1.069 1.00 34.34 H new ATOM 0 HD23 LEU A 137 -2.309 10.948 -1.000 1.00 34.34 H new ATOM 2234 N ARG A 138 -3.915 9.146 2.950 1.00 73.12 N ATOM 2235 CA ARG A 138 -5.168 9.652 3.512 1.00 33.54 C ATOM 2236 C ARG A 138 -5.154 9.594 5.050 1.00 3.11 C ATOM 2237 O ARG A 138 -5.463 10.582 5.715 1.00 62.03 O ATOM 2238 CB ARG A 138 -6.355 8.850 2.958 1.00 61.01 C ATOM 2239 CG ARG A 138 -7.722 9.341 3.443 1.00 22.12 C ATOM 2240 CD ARG A 138 -8.052 10.738 2.916 1.00 43.41 C ATOM 2241 NE ARG A 138 -9.329 11.234 3.435 1.00 14.33 N ATOM 2242 CZ ARG A 138 -10.195 11.919 2.735 1.00 3.10 C ATOM 2243 NH1 ARG A 138 -9.987 12.174 1.485 1.00 2.11 N ATOM 2244 NH2 ARG A 138 -11.280 12.346 3.290 1.00 65.33 N ATOM 0 H ARG A 138 -4.028 8.358 2.312 1.00 73.12 H new ATOM 0 HA ARG A 138 -5.275 10.696 3.218 1.00 33.54 H new ATOM 0 HB2 ARG A 138 -6.331 8.892 1.869 1.00 61.01 H new ATOM 0 HB3 ARG A 138 -6.236 7.804 3.240 1.00 61.01 H new ATOM 0 HG2 ARG A 138 -8.493 8.641 3.121 1.00 22.12 H new ATOM 0 HG3 ARG A 138 -7.737 9.352 4.533 1.00 22.12 H new ATOM 0 HD2 ARG A 138 -7.255 11.428 3.194 1.00 43.41 H new ATOM 0 HD3 ARG A 138 -8.088 10.715 1.827 1.00 43.41 H new ATOM 0 HE ARG A 138 -9.558 11.031 4.408 1.00 14.33 H new ATOM 0 HH11 ARG A 138 -9.137 11.839 1.031 1.00 2.11 H new ATOM 0 HH12 ARG A 138 -10.673 12.710 0.953 1.00 2.11 H new ATOM 0 HH21 ARG A 138 -11.461 12.149 4.274 1.00 65.33 H new ATOM 0 HH22 ARG A 138 -11.956 12.880 2.744 1.00 65.33 H new ATOM 2258 N GLN A 139 -4.775 8.440 5.606 1.00 51.22 N ATOM 2259 CA GLN A 139 -4.754 8.250 7.065 1.00 43.43 C ATOM 2260 C GLN A 139 -3.679 9.121 7.741 1.00 33.42 C ATOM 2261 O GLN A 139 -3.915 9.685 8.811 1.00 64.30 O ATOM 2262 CB GLN A 139 -4.544 6.766 7.412 1.00 41.01 C ATOM 2263 CG GLN A 139 -4.522 6.472 8.914 1.00 35.21 C ATOM 2264 CD GLN A 139 -5.796 6.893 9.632 1.00 43.01 C ATOM 2265 OE1 GLN A 139 -6.883 6.896 9.063 1.00 72.14 O ATOM 2266 NE2 GLN A 139 -5.675 7.242 10.898 1.00 40.13 N ATOM 0 H GLN A 139 -4.479 7.623 5.072 1.00 51.22 H new ATOM 0 HA GLN A 139 -5.722 8.569 7.451 1.00 43.43 H new ATOM 0 HB2 GLN A 139 -5.338 6.180 6.950 1.00 41.01 H new ATOM 0 HB3 GLN A 139 -3.604 6.431 6.973 1.00 41.01 H new ATOM 0 HG2 GLN A 139 -4.365 5.404 9.065 1.00 35.21 H new ATOM 0 HG3 GLN A 139 -3.673 6.986 9.365 1.00 35.21 H new ATOM 0 HE21 GLN A 139 -4.758 7.230 11.345 1.00 40.13 H new ATOM 0 HE22 GLN A 139 -6.498 7.524 11.430 1.00 40.13 H new ATOM 2275 N VAL A 140 -2.506 9.239 7.111 1.00 43.03 N ATOM 2276 CA VAL A 140 -1.423 10.090 7.633 1.00 13.03 C ATOM 2277 C VAL A 140 -1.917 11.523 7.902 1.00 10.35 C ATOM 2278 O VAL A 140 -1.683 12.083 8.974 1.00 13.33 O ATOM 2279 CB VAL A 140 -0.212 10.128 6.660 1.00 44.14 C ATOM 2280 CG1 VAL A 140 0.839 11.141 7.120 1.00 1.11 C ATOM 2281 CG2 VAL A 140 0.411 8.738 6.523 1.00 63.31 C ATOM 0 H VAL A 140 -2.279 8.759 6.240 1.00 43.03 H new ATOM 0 HA VAL A 140 -1.099 9.648 8.575 1.00 13.03 H new ATOM 0 HB VAL A 140 -0.579 10.445 5.684 1.00 44.14 H new ATOM 0 HG11 VAL A 140 1.673 11.144 6.419 1.00 1.11 H new ATOM 0 HG12 VAL A 140 0.394 12.135 7.158 1.00 1.11 H new ATOM 0 HG13 VAL A 140 1.199 10.867 8.111 1.00 1.11 H new ATOM 0 HG21 VAL A 140 1.257 8.785 5.838 1.00 63.31 H new ATOM 0 HG22 VAL A 140 0.753 8.395 7.499 1.00 63.31 H new ATOM 0 HG23 VAL A 140 -0.333 8.043 6.134 1.00 63.31 H new ATOM 2291 N SER A 141 -2.608 12.106 6.925 1.00 61.30 N ATOM 2292 CA SER A 141 -3.208 13.439 7.098 1.00 33.01 C ATOM 2293 C SER A 141 -4.442 13.378 8.016 1.00 63.34 C ATOM 2294 O SER A 141 -4.714 14.313 8.775 1.00 22.12 O ATOM 2295 CB SER A 141 -3.600 14.040 5.739 1.00 31.15 C ATOM 2296 OG SER A 141 -4.608 13.269 5.099 1.00 63.21 O ATOM 0 H SER A 141 -2.769 11.685 6.010 1.00 61.30 H new ATOM 0 HA SER A 141 -2.459 14.078 7.566 1.00 33.01 H new ATOM 0 HB2 SER A 141 -3.956 15.060 5.881 1.00 31.15 H new ATOM 0 HB3 SER A 141 -2.721 14.095 5.097 1.00 31.15 H new ATOM 0 HG SER A 141 -4.638 12.374 5.498 1.00 63.21 H new ATOM 2302 N ALA A 142 -5.170 12.260 7.957 1.00 23.23 N ATOM 2303 CA ALA A 142 -6.392 12.070 8.753 1.00 15.32 C ATOM 2304 C ALA A 142 -6.116 12.063 10.266 1.00 32.41 C ATOM 2305 O ALA A 142 -7.039 12.227 11.065 1.00 12.25 O ATOM 2306 CB ALA A 142 -7.094 10.776 8.344 1.00 63.25 C ATOM 0 H ALA A 142 -4.934 11.465 7.362 1.00 23.23 H new ATOM 0 HA ALA A 142 -7.041 12.921 8.547 1.00 15.32 H new ATOM 0 HB1 ALA A 142 -7.997 10.648 8.941 1.00 63.25 H new ATOM 0 HB2 ALA A 142 -7.361 10.825 7.288 1.00 63.25 H new ATOM 0 HB3 ALA A 142 -6.426 9.931 8.511 1.00 63.25 H new ATOM 2312 N PHE A 143 -4.857 11.860 10.662 1.00 40.53 N ATOM 2313 CA PHE A 143 -4.475 11.907 12.083 1.00 20.10 C ATOM 2314 C PHE A 143 -4.914 13.217 12.759 1.00 43.31 C ATOM 2315 O PHE A 143 -5.422 13.207 13.882 1.00 11.02 O ATOM 2316 CB PHE A 143 -2.961 11.710 12.254 1.00 1.11 C ATOM 2317 CG PHE A 143 -2.547 10.262 12.328 1.00 22.34 C ATOM 2318 CD1 PHE A 143 -2.815 9.518 13.466 1.00 3.24 C ATOM 2319 CD2 PHE A 143 -1.896 9.646 11.270 1.00 35.41 C ATOM 2320 CE1 PHE A 143 -2.442 8.190 13.550 1.00 60.52 C ATOM 2321 CE2 PHE A 143 -1.520 8.318 11.347 1.00 15.14 C ATOM 2322 CZ PHE A 143 -1.794 7.588 12.488 1.00 24.35 C ATOM 0 H PHE A 143 -4.085 11.662 10.025 1.00 40.53 H new ATOM 0 HA PHE A 143 -4.998 11.087 12.575 1.00 20.10 H new ATOM 0 HB2 PHE A 143 -2.444 12.185 11.420 1.00 1.11 H new ATOM 0 HB3 PHE A 143 -2.637 12.219 13.162 1.00 1.11 H new ATOM 0 HD1 PHE A 143 -3.322 9.982 14.299 1.00 3.24 H new ATOM 0 HD2 PHE A 143 -1.680 10.211 10.375 1.00 35.41 H new ATOM 0 HE1 PHE A 143 -2.657 7.623 14.444 1.00 60.52 H new ATOM 0 HE2 PHE A 143 -1.012 7.851 10.516 1.00 15.14 H new ATOM 0 HZ PHE A 143 -1.503 6.550 12.550 1.00 24.35 H new ATOM 2332 N THR A 144 -4.732 14.340 12.067 1.00 14.43 N ATOM 2333 CA THR A 144 -5.131 15.651 12.610 1.00 20.34 C ATOM 2334 C THR A 144 -6.546 16.035 12.145 1.00 24.10 C ATOM 2335 O THR A 144 -6.947 17.198 12.212 1.00 22.45 O ATOM 2336 CB THR A 144 -4.133 16.773 12.207 1.00 33.00 C ATOM 2337 OG1 THR A 144 -4.477 18.013 12.857 1.00 41.33 O ATOM 2338 CG2 THR A 144 -4.107 16.978 10.693 1.00 13.44 C ATOM 0 H THR A 144 -4.315 14.376 11.137 1.00 14.43 H new ATOM 0 HA THR A 144 -5.122 15.555 13.696 1.00 20.34 H new ATOM 0 HB THR A 144 -3.140 16.460 12.530 1.00 33.00 H new ATOM 0 HG1 THR A 144 -5.447 18.147 12.814 1.00 41.33 H new ATOM 0 HG21 THR A 144 -3.399 17.769 10.445 1.00 13.44 H new ATOM 0 HG22 THR A 144 -3.802 16.052 10.206 1.00 13.44 H new ATOM 0 HG23 THR A 144 -5.102 17.259 10.347 1.00 13.44 H new ATOM 2346 N SER A 145 -7.300 15.038 11.692 1.00 50.53 N ATOM 2347 CA SER A 145 -8.671 15.238 11.201 1.00 22.14 C ATOM 2348 C SER A 145 -9.605 14.152 11.760 1.00 31.54 C ATOM 2349 O SER A 145 -9.223 13.395 12.653 1.00 33.43 O ATOM 2350 CB SER A 145 -8.687 15.216 9.663 1.00 51.25 C ATOM 2351 OG SER A 145 -9.992 15.443 9.150 1.00 75.31 O ATOM 0 H SER A 145 -6.984 14.069 11.652 1.00 50.53 H new ATOM 0 HA SER A 145 -9.028 16.209 11.544 1.00 22.14 H new ATOM 0 HB2 SER A 145 -8.008 15.978 9.281 1.00 51.25 H new ATOM 0 HB3 SER A 145 -8.319 14.253 9.309 1.00 51.25 H new ATOM 0 HG SER A 145 -9.966 15.424 8.171 1.00 75.31 H new ATOM 2357 N ALA A 146 -10.826 14.068 11.240 1.00 42.34 N ATOM 2358 CA ALA A 146 -11.793 13.064 11.707 1.00 55.21 C ATOM 2359 C ALA A 146 -12.635 12.501 10.551 1.00 74.30 C ATOM 2360 O ALA A 146 -12.733 11.283 10.373 1.00 53.31 O ATOM 2361 CB ALA A 146 -12.689 13.659 12.786 1.00 34.42 C ATOM 0 H ALA A 146 -11.174 14.677 10.499 1.00 42.34 H new ATOM 0 HA ALA A 146 -11.231 12.233 12.132 1.00 55.21 H new ATOM 0 HB1 ALA A 146 -13.401 12.906 13.124 1.00 34.42 H new ATOM 0 HB2 ALA A 146 -12.078 13.984 13.628 1.00 34.42 H new ATOM 0 HB3 ALA A 146 -13.230 14.513 12.379 1.00 34.42 H new ATOM 2367 N GLY A 147 -13.247 13.392 9.771 1.00 4.41 N ATOM 2368 CA GLY A 147 -14.017 12.971 8.602 1.00 42.43 C ATOM 2369 C GLY A 147 -15.529 12.965 8.820 1.00 70.21 C ATOM 2370 O GLY A 147 -16.253 12.254 8.120 1.00 74.21 O ATOM 0 H GLY A 147 -13.225 14.400 9.925 1.00 4.41 H new ATOM 0 HA2 GLY A 147 -13.784 13.634 7.769 1.00 42.43 H new ATOM 0 HA3 GLY A 147 -13.699 11.970 8.312 1.00 42.43 H new ATOM 2374 N LEU A 148 -16.014 13.758 9.777 1.00 50.01 N ATOM 2375 CA LEU A 148 -17.462 13.879 10.020 1.00 13.12 C ATOM 2376 C LEU A 148 -18.144 14.698 8.914 1.00 75.41 C ATOM 2377 O LEU A 148 -19.325 14.498 8.621 1.00 20.11 O ATOM 2378 CB LEU A 148 -17.741 14.515 11.398 1.00 42.53 C ATOM 2379 CG LEU A 148 -17.577 13.581 12.616 1.00 73.45 C ATOM 2380 CD1 LEU A 148 -18.518 12.381 12.513 1.00 43.22 C ATOM 2381 CD2 LEU A 148 -16.130 13.120 12.771 1.00 62.13 C ATOM 0 H LEU A 148 -15.434 14.325 10.396 1.00 50.01 H new ATOM 0 HA LEU A 148 -17.880 12.872 10.011 1.00 13.12 H new ATOM 0 HB2 LEU A 148 -17.073 15.367 11.525 1.00 42.53 H new ATOM 0 HB3 LEU A 148 -18.759 14.905 11.398 1.00 42.53 H new ATOM 0 HG LEU A 148 -17.844 14.150 13.507 1.00 73.45 H new ATOM 0 HD11 LEU A 148 -18.384 11.738 13.383 1.00 43.22 H new ATOM 0 HD12 LEU A 148 -19.550 12.730 12.476 1.00 43.22 H new ATOM 0 HD13 LEU A 148 -18.292 11.818 11.607 1.00 43.22 H new ATOM 0 HD21 LEU A 148 -16.048 12.464 13.638 1.00 62.13 H new ATOM 0 HD22 LEU A 148 -15.823 12.579 11.876 1.00 62.13 H new ATOM 0 HD23 LEU A 148 -15.485 13.987 12.910 1.00 62.13 H new ATOM 2393 N GLU A 149 -17.389 15.611 8.299 1.00 44.41 N ATOM 2394 CA GLU A 149 -17.896 16.433 7.191 1.00 60.52 C ATOM 2395 C GLU A 149 -18.416 15.559 6.039 1.00 73.11 C ATOM 2396 O GLU A 149 -19.385 15.907 5.362 1.00 71.53 O ATOM 2397 CB GLU A 149 -16.790 17.365 6.671 1.00 62.41 C ATOM 2398 CG GLU A 149 -16.178 18.264 7.743 1.00 23.12 C ATOM 2399 CD GLU A 149 -17.200 19.182 8.398 1.00 74.11 C ATOM 2400 OE1 GLU A 149 -17.444 20.284 7.865 1.00 71.51 O ATOM 2401 OE2 GLU A 149 -17.765 18.805 9.443 1.00 54.02 O ATOM 0 H GLU A 149 -16.419 15.802 8.549 1.00 44.41 H new ATOM 0 HA GLU A 149 -18.725 17.029 7.573 1.00 60.52 H new ATOM 0 HB2 GLU A 149 -16.000 16.761 6.225 1.00 62.41 H new ATOM 0 HB3 GLU A 149 -17.200 17.990 5.878 1.00 62.41 H new ATOM 0 HG2 GLU A 149 -15.711 17.643 8.508 1.00 23.12 H new ATOM 0 HG3 GLU A 149 -15.388 18.868 7.297 1.00 23.12 H new ATOM 2408 N HIS A 150 -17.760 14.419 5.824 1.00 61.22 N ATOM 2409 CA HIS A 150 -18.179 13.465 4.797 1.00 31.25 C ATOM 2410 C HIS A 150 -18.111 12.026 5.329 1.00 41.20 C ATOM 2411 O HIS A 150 -17.099 11.335 5.172 1.00 75.34 O ATOM 2412 CB HIS A 150 -17.321 13.611 3.535 1.00 21.33 C ATOM 2413 CG HIS A 150 -17.790 12.756 2.399 1.00 42.45 C ATOM 2414 ND1 HIS A 150 -18.963 12.991 1.720 1.00 73.13 N ATOM 2415 CD2 HIS A 150 -17.245 11.654 1.829 1.00 43.04 C ATOM 2416 CE1 HIS A 150 -19.122 12.079 0.787 1.00 60.04 C ATOM 2417 NE2 HIS A 150 -18.095 11.256 0.829 1.00 31.40 N ATOM 0 H HIS A 150 -16.934 14.133 6.349 1.00 61.22 H new ATOM 0 HA HIS A 150 -19.214 13.686 4.535 1.00 31.25 H new ATOM 0 HB2 HIS A 150 -17.324 14.655 3.221 1.00 21.33 H new ATOM 0 HB3 HIS A 150 -16.289 13.353 3.773 1.00 21.33 H new ATOM 0 HD2 HIS A 150 -16.317 11.179 2.109 1.00 43.04 H new ATOM 0 HE1 HIS A 150 -19.954 12.015 0.102 1.00 60.04 H new ATOM 0 HE2 HIS A 150 -17.954 10.452 0.217 1.00 31.40 H new ATOM 2426 N HIS A 151 -19.188 11.593 5.971 1.00 71.41 N ATOM 2427 CA HIS A 151 -19.259 10.252 6.563 1.00 3.14 C ATOM 2428 C HIS A 151 -19.286 9.153 5.485 1.00 44.24 C ATOM 2429 O HIS A 151 -20.125 9.171 4.579 1.00 54.40 O ATOM 2430 CB HIS A 151 -20.489 10.140 7.478 1.00 24.45 C ATOM 2431 CG HIS A 151 -21.763 10.624 6.849 1.00 40.12 C ATOM 2432 ND1 HIS A 151 -22.409 9.948 5.840 1.00 62.43 N ATOM 2433 CD2 HIS A 151 -22.509 11.729 7.090 1.00 14.33 C ATOM 2434 CE1 HIS A 151 -23.492 10.610 5.488 1.00 24.32 C ATOM 2435 NE2 HIS A 151 -23.576 11.692 6.230 1.00 44.41 N ATOM 0 H HIS A 151 -20.032 12.151 6.099 1.00 71.41 H new ATOM 0 HA HIS A 151 -18.358 10.103 7.158 1.00 3.14 H new ATOM 0 HB2 HIS A 151 -20.615 9.099 7.775 1.00 24.45 H new ATOM 0 HB3 HIS A 151 -20.305 10.711 8.388 1.00 24.45 H new ATOM 0 HD1 HIS A 151 -22.097 9.069 5.428 1.00 62.43 H new ATOM 0 HD2 HIS A 151 -22.302 12.495 7.822 1.00 14.33 H new ATOM 0 HE1 HIS A 151 -24.192 10.314 4.720 1.00 24.32 H new ATOM 2444 N HIS A 152 -18.362 8.198 5.591 1.00 55.12 N ATOM 2445 CA HIS A 152 -18.258 7.109 4.614 1.00 21.32 C ATOM 2446 C HIS A 152 -19.453 6.150 4.702 1.00 23.41 C ATOM 2447 O HIS A 152 -19.545 5.325 5.613 1.00 74.43 O ATOM 2448 CB HIS A 152 -16.944 6.333 4.799 1.00 3.04 C ATOM 2449 CG HIS A 152 -16.832 5.120 3.918 1.00 52.01 C ATOM 2450 ND1 HIS A 152 -16.818 5.188 2.542 1.00 74.32 N ATOM 2451 CD2 HIS A 152 -16.746 3.801 4.223 1.00 12.32 C ATOM 2452 CE1 HIS A 152 -16.729 3.972 2.042 1.00 12.22 C ATOM 2453 NE2 HIS A 152 -16.679 3.110 3.039 1.00 23.43 N ATOM 0 H HIS A 152 -17.674 8.155 6.343 1.00 55.12 H new ATOM 0 HA HIS A 152 -18.264 7.564 3.623 1.00 21.32 H new ATOM 0 HB2 HIS A 152 -16.106 6.999 4.594 1.00 3.04 H new ATOM 0 HB3 HIS A 152 -16.858 6.024 5.841 1.00 3.04 H new ATOM 0 HD2 HIS A 152 -16.733 3.373 5.215 1.00 12.32 H new ATOM 0 HE1 HIS A 152 -16.702 3.723 0.991 1.00 12.22 H new ATOM 0 HE2 HIS A 152 -16.603 2.097 2.946 1.00 23.43 H new ATOM 2462 N HIS A 153 -20.358 6.263 3.738 1.00 3.54 N ATOM 2463 CA HIS A 153 -21.546 5.402 3.677 1.00 72.31 C ATOM 2464 C HIS A 153 -21.270 4.119 2.880 1.00 64.22 C ATOM 2465 O HIS A 153 -20.467 4.117 1.948 1.00 11.32 O ATOM 2466 CB HIS A 153 -22.724 6.164 3.054 1.00 5.21 C ATOM 2467 CG HIS A 153 -22.423 6.752 1.707 1.00 23.54 C ATOM 2468 ND1 HIS A 153 -22.303 5.992 0.564 1.00 53.21 N ATOM 2469 CD2 HIS A 153 -22.213 8.034 1.322 1.00 41.24 C ATOM 2470 CE1 HIS A 153 -22.034 6.774 -0.459 1.00 45.14 C ATOM 2471 NE2 HIS A 153 -21.973 8.017 -0.029 1.00 64.15 N ATOM 0 H HIS A 153 -20.297 6.944 2.981 1.00 3.54 H new ATOM 0 HA HIS A 153 -21.802 5.117 4.697 1.00 72.31 H new ATOM 0 HB2 HIS A 153 -23.574 5.488 2.963 1.00 5.21 H new ATOM 0 HB3 HIS A 153 -23.025 6.964 3.730 1.00 5.21 H new ATOM 0 HD2 HIS A 153 -22.231 8.906 1.959 1.00 41.24 H new ATOM 0 HE1 HIS A 153 -21.888 6.451 -1.479 1.00 45.14 H new ATOM 0 HE2 HIS A 153 -21.779 8.835 -0.607 1.00 64.15 H new ATOM 2480 N HIS A 154 -21.944 3.033 3.251 1.00 72.44 N ATOM 2481 CA HIS A 154 -21.792 1.750 2.557 1.00 51.12 C ATOM 2482 C HIS A 154 -23.051 0.885 2.695 1.00 12.32 C ATOM 2483 O HIS A 154 -23.599 0.407 1.701 1.00 1.43 O ATOM 2484 CB HIS A 154 -20.582 0.981 3.102 1.00 75.04 C ATOM 2485 CG HIS A 154 -20.371 -0.350 2.442 1.00 34.52 C ATOM 2486 ND1 HIS A 154 -20.913 -1.528 2.918 1.00 13.35 N ATOM 2487 CD2 HIS A 154 -19.671 -0.686 1.334 1.00 54.22 C ATOM 2488 CE1 HIS A 154 -20.555 -2.523 2.132 1.00 50.44 C ATOM 2489 NE2 HIS A 154 -19.803 -2.041 1.166 1.00 31.13 N ATOM 0 H HIS A 154 -22.603 3.013 4.030 1.00 72.44 H new ATOM 0 HA HIS A 154 -21.636 1.969 1.501 1.00 51.12 H new ATOM 0 HB2 HIS A 154 -19.687 1.588 2.971 1.00 75.04 H new ATOM 0 HB3 HIS A 154 -20.710 0.830 4.174 1.00 75.04 H new ATOM 0 HD1 HIS A 154 -21.499 -1.614 3.748 1.00 13.35 H new ATOM 0 HD2 HIS A 154 -19.113 -0.013 0.700 1.00 54.22 H new ATOM 0 HE1 HIS A 154 -20.832 -3.559 2.259 1.00 50.44 H new ATOM 2498 N HIS A 155 -23.489 0.684 3.938 1.00 45.24 N ATOM 2499 CA HIS A 155 -24.640 -0.177 4.245 1.00 1.54 C ATOM 2500 C HIS A 155 -24.424 -1.614 3.719 1.00 74.33 C ATOM 2501 O HIS A 155 -25.177 -2.056 2.818 1.00 38.12 O ATOM 2502 CB HIS A 155 -25.930 0.426 3.671 1.00 33.21 C ATOM 2503 CG HIS A 155 -26.165 1.844 4.087 1.00 54.35 C ATOM 2504 ND1 HIS A 155 -26.477 2.211 5.376 1.00 41.32 N ATOM 2505 CD2 HIS A 155 -26.118 2.994 3.375 1.00 10.12 C ATOM 2506 CE1 HIS A 155 -26.615 3.518 5.440 1.00 24.01 C ATOM 2507 NE2 HIS A 155 -26.404 4.019 4.241 1.00 1.12 N ATOM 2508 OXT HIS A 155 -23.482 -2.284 4.197 1.00 38.12 O ATOM 0 H HIS A 155 -23.061 1.110 4.760 1.00 45.24 H new ATOM 0 HA HIS A 155 -24.737 -0.234 5.329 1.00 1.54 H new ATOM 0 HB2 HIS A 155 -25.891 0.377 2.583 1.00 33.21 H new ATOM 0 HB3 HIS A 155 -26.778 -0.182 3.987 1.00 33.21 H new ATOM 0 HD2 HIS A 155 -25.897 3.087 2.322 1.00 10.12 H new ATOM 0 HE1 HIS A 155 -26.860 4.084 6.326 1.00 24.01 H new ATOM 0 HE2 HIS A 155 -26.446 5.008 3.996 1.00 1.12 H new TER 2517 HIS A 155