USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1171 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 81 GLN :FLIP amide:sc= 0.86 F(o=1.4,f=2.1) USER MOD Set 1.2: A 122 TYR OH : rot 130:sc= 0.746 USER MOD Set 1.3: A 127 SER OG : rot 149:sc= 0.526 USER MOD Set 2.1: A 115 THR OG1 : rot 113:sc= 1.62 USER MOD Set 2.2: A 139 CYS SG : rot 73:sc= 0.216 USER MOD Set 3.1: A 48 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.251) USER MOD Set 3.2: A 113 MET CE :methyl 171:sc=-0.000128 (180deg=-0.0981) USER MOD Set 4.1: A 93 CYS SG : rot 180:sc= 1.01 USER MOD Set 4.2: A 97 GLN : amide:sc= 0.804 X(o=1.8,f=2.1) USER MOD Set 5.1: A 76 ASN : amide:sc= -0.706 K(o=-0.22,f=-3.1!) USER MOD Set 5.2: A 78 THR OG1 : rot 92:sc= 0.487 USER MOD Set 6.1: A 42 ASN : amide:sc= -3.24! C(o=-3.5!,f=-3.2!) USER MOD Set 6.2: A 120 TYR OH : rot 33:sc= -0.246 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.44 (180deg=0.864) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.24) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= -0.86 (180deg=-1.02) USER MOD Single : A 49 THR OG1 : rot 50:sc= 0.0806 USER MOD Single : A 57 SER OG : rot -80:sc= 0.533 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= -0.262 (180deg=-0.819) USER MOD Single : A 64 GLN : amide:sc= -4.99! C(o=-5!,f=-6.8!) USER MOD Single : A 67 THR OG1 : rot 31:sc= -3.18! USER MOD Single : A 69 HIS : no HD1:sc= -7.95! C(o=-7.9!,f=-11!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.221 F(o=-8.3!,f=-0.22) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 73 SER OG : rot 180:sc= -1.71! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -130:sc= -0.469 USER MOD Single : A 106 MET CE :methyl -126:sc= -4.53! (180deg=-6.94!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 175:sc= -0.107 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 CYS SG : rot 126:sc= -1.41 USER MOD Single : A 125 GLN : amide:sc= -1.03 X(o=-1,f=-1.4) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HE2:sc= 0.252 K(o=0.25,f=-3.8!) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.12) USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.391 USER MOD Single : A 152 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.2) USER MOD Single : A 153 HIS : no HE2:sc= -0.053 K(o=-0.053,f=-1.1) USER MOD Single : A 154 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=-0.013) USER MOD Single : A 155 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.015) USER MOD Single : A 156 HIS : no HD1:sc= -0.0853 X(o=-0.085,f=-0.023) USER MOD Single : A 157 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.0055) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.405 -10.096 38.155 1.00 49.39 N ATOM 2 CA MET A 1 2.798 -11.189 37.234 1.00 49.13 C ATOM 3 C MET A 1 3.232 -12.416 38.023 1.00 48.56 C ATOM 4 O MET A 1 3.497 -12.330 39.226 1.00 48.67 O ATOM 5 CB MET A 1 3.939 -10.752 36.300 1.00 49.37 C ATOM 6 CG MET A 1 3.510 -9.799 35.191 1.00 49.76 C ATOM 7 SD MET A 1 2.957 -8.197 35.807 1.00 50.09 S ATOM 8 CE MET A 1 2.576 -7.369 34.267 1.00 50.23 C ATOM 0 H1 MET A 1 2.439 -9.187 37.650 1.00 49.39 H new ATOM 0 H2 MET A 1 1.439 -10.264 38.501 1.00 49.39 H new ATOM 0 H3 MET A 1 3.061 -10.069 38.961 1.00 49.39 H new ATOM 0 HA MET A 1 1.928 -11.435 36.626 1.00 49.13 H new ATOM 0 HB2 MET A 1 4.716 -10.273 36.895 1.00 49.37 H new ATOM 0 HB3 MET A 1 4.384 -11.639 35.849 1.00 49.37 H new ATOM 0 HG2 MET A 1 4.345 -9.649 34.506 1.00 49.76 H new ATOM 0 HG3 MET A 1 2.705 -10.258 34.617 1.00 49.76 H new ATOM 0 HE1 MET A 1 2.219 -6.360 34.475 1.00 50.23 H new ATOM 0 HE2 MET A 1 3.473 -7.316 33.651 1.00 50.23 H new ATOM 0 HE3 MET A 1 1.804 -7.925 33.736 1.00 50.23 H new ATOM 20 N GLY A 2 3.294 -13.552 37.345 1.00 47.99 N ATOM 21 CA GLY A 2 3.720 -14.778 37.983 1.00 47.44 C ATOM 22 C GLY A 2 3.614 -15.963 37.052 1.00 46.69 C ATOM 23 O GLY A 2 2.565 -16.186 36.442 1.00 46.54 O ATOM 0 H GLY A 2 3.055 -13.646 36.358 1.00 47.99 H new ATOM 0 HA2 GLY A 2 4.751 -14.672 38.321 1.00 47.44 H new ATOM 0 HA3 GLY A 2 3.111 -14.957 38.869 1.00 47.44 H new ATOM 27 N GLN A 3 4.697 -16.719 36.936 1.00 46.26 N ATOM 28 CA GLN A 3 4.733 -17.869 36.043 1.00 45.58 C ATOM 29 C GLN A 3 4.113 -19.089 36.716 1.00 45.14 C ATOM 30 O GLN A 3 4.459 -19.420 37.854 1.00 45.18 O ATOM 31 CB GLN A 3 6.171 -18.202 35.631 1.00 45.54 C ATOM 32 CG GLN A 3 6.956 -17.027 35.070 1.00 45.20 C ATOM 33 CD GLN A 3 8.322 -17.445 34.557 1.00 45.11 C ATOM 34 OE1 GLN A 3 8.488 -17.753 33.375 1.00 45.20 O ATOM 35 NE2 GLN A 3 9.301 -17.501 35.445 1.00 45.01 N ATOM 0 H GLN A 3 5.563 -16.556 37.450 1.00 46.26 H new ATOM 0 HA GLN A 3 4.159 -17.611 35.153 1.00 45.58 H new ATOM 0 HB2 GLN A 3 6.702 -18.596 36.498 1.00 45.54 H new ATOM 0 HB3 GLN A 3 6.147 -18.996 34.884 1.00 45.54 H new ATOM 0 HG2 GLN A 3 6.390 -16.567 34.260 1.00 45.20 H new ATOM 0 HG3 GLN A 3 7.076 -16.269 35.844 1.00 45.20 H new ATOM 0 HE21 GLN A 3 9.126 -17.238 36.415 1.00 45.01 H new ATOM 0 HE22 GLN A 3 10.231 -17.807 35.160 1.00 45.01 H new ATOM 44 N PRO A 4 3.172 -19.755 36.035 1.00 44.78 N ATOM 45 CA PRO A 4 2.589 -21.004 36.507 1.00 44.40 C ATOM 46 C PRO A 4 3.520 -22.189 36.255 1.00 43.91 C ATOM 47 O PRO A 4 4.037 -22.350 35.148 1.00 43.73 O ATOM 48 CB PRO A 4 1.299 -21.148 35.677 1.00 44.25 C ATOM 49 CG PRO A 4 1.189 -19.892 34.867 1.00 44.46 C ATOM 50 CD PRO A 4 2.579 -19.337 34.764 1.00 44.80 C ATOM 0 HA PRO A 4 2.409 -20.992 37.582 1.00 44.40 H new ATOM 0 HB2 PRO A 4 1.345 -22.026 35.032 1.00 44.25 H new ATOM 0 HB3 PRO A 4 0.430 -21.273 36.324 1.00 44.25 H new ATOM 0 HG2 PRO A 4 0.779 -20.101 33.879 1.00 44.46 H new ATOM 0 HG3 PRO A 4 0.519 -19.178 35.346 1.00 44.46 H new ATOM 0 HD2 PRO A 4 3.118 -19.745 33.909 1.00 44.80 H new ATOM 0 HD3 PRO A 4 2.578 -18.253 34.652 1.00 44.80 H new ATOM 58 N PRO A 5 3.766 -23.014 37.287 1.00 43.76 N ATOM 59 CA PRO A 5 4.574 -24.233 37.159 1.00 43.36 C ATOM 60 C PRO A 5 4.094 -25.117 36.012 1.00 42.76 C ATOM 61 O PRO A 5 2.888 -25.246 35.789 1.00 42.58 O ATOM 62 CB PRO A 5 4.372 -24.934 38.502 1.00 43.41 C ATOM 63 CG PRO A 5 4.072 -23.832 39.453 1.00 43.89 C ATOM 64 CD PRO A 5 3.289 -22.815 38.668 1.00 44.02 C ATOM 0 HA PRO A 5 5.618 -24.015 36.935 1.00 43.36 H new ATOM 0 HB2 PRO A 5 3.554 -25.653 38.456 1.00 43.41 H new ATOM 0 HB3 PRO A 5 5.264 -25.485 38.801 1.00 43.41 H new ATOM 0 HG2 PRO A 5 3.497 -24.196 40.304 1.00 43.89 H new ATOM 0 HG3 PRO A 5 4.989 -23.398 39.850 1.00 43.89 H new ATOM 0 HD2 PRO A 5 2.215 -22.982 38.751 1.00 44.02 H new ATOM 0 HD3 PRO A 5 3.482 -21.801 39.018 1.00 44.02 H new ATOM 72 N ALA A 6 5.052 -25.724 35.307 1.00 42.50 N ATOM 73 CA ALA A 6 4.788 -26.505 34.095 1.00 41.97 C ATOM 74 C ALA A 6 4.318 -25.594 32.965 1.00 41.42 C ATOM 75 O ALA A 6 5.116 -25.175 32.124 1.00 41.39 O ATOM 76 CB ALA A 6 3.788 -27.633 34.351 1.00 42.03 C ATOM 0 H ALA A 6 6.039 -25.687 35.562 1.00 42.50 H new ATOM 0 HA ALA A 6 5.724 -26.974 33.791 1.00 41.97 H new ATOM 0 HB1 ALA A 6 3.620 -28.187 33.427 1.00 42.03 H new ATOM 0 HB2 ALA A 6 4.185 -28.306 35.111 1.00 42.03 H new ATOM 0 HB3 ALA A 6 2.845 -27.211 34.697 1.00 42.03 H new ATOM 82 N GLU A 7 3.035 -25.266 32.964 1.00 41.05 N ATOM 83 CA GLU A 7 2.479 -24.364 31.971 1.00 40.56 C ATOM 84 C GLU A 7 1.165 -23.782 32.464 1.00 40.16 C ATOM 85 O GLU A 7 0.555 -24.305 33.402 1.00 40.13 O ATOM 86 CB GLU A 7 2.263 -25.073 30.627 1.00 40.61 C ATOM 87 CG GLU A 7 1.284 -26.238 30.679 1.00 40.78 C ATOM 88 CD GLU A 7 1.052 -26.859 29.316 1.00 41.03 C ATOM 89 OE1 GLU A 7 2.024 -27.378 28.722 1.00 40.82 O ATOM 90 OE2 GLU A 7 -0.100 -26.843 28.833 1.00 41.50 O ATOM 0 H GLU A 7 2.358 -25.613 33.643 1.00 41.05 H new ATOM 0 HA GLU A 7 3.196 -23.558 31.818 1.00 40.56 H new ATOM 0 HB2 GLU A 7 1.904 -24.345 29.900 1.00 40.61 H new ATOM 0 HB3 GLU A 7 3.224 -25.438 30.264 1.00 40.61 H new ATOM 0 HG2 GLU A 7 1.664 -26.998 31.362 1.00 40.78 H new ATOM 0 HG3 GLU A 7 0.333 -25.892 31.084 1.00 40.78 H new ATOM 97 N GLU A 8 0.751 -22.691 31.842 1.00 39.89 N ATOM 98 CA GLU A 8 -0.544 -22.095 32.108 1.00 39.55 C ATOM 99 C GLU A 8 -1.599 -22.860 31.320 1.00 39.08 C ATOM 100 O GLU A 8 -1.787 -22.632 30.122 1.00 38.77 O ATOM 101 CB GLU A 8 -0.525 -20.613 31.719 1.00 39.61 C ATOM 102 CG GLU A 8 -1.737 -19.828 32.188 1.00 39.77 C ATOM 103 CD GLU A 8 -1.593 -18.346 31.923 1.00 40.05 C ATOM 104 OE1 GLU A 8 -1.979 -17.892 30.819 1.00 40.04 O ATOM 105 OE2 GLU A 8 -1.118 -17.622 32.820 1.00 40.33 O ATOM 0 H GLU A 8 1.302 -22.196 31.141 1.00 39.89 H new ATOM 0 HA GLU A 8 -0.781 -22.155 33.170 1.00 39.55 H new ATOM 0 HB2 GLU A 8 0.373 -20.153 32.131 1.00 39.61 H new ATOM 0 HB3 GLU A 8 -0.454 -20.535 30.634 1.00 39.61 H new ATOM 0 HG2 GLU A 8 -2.628 -20.201 31.683 1.00 39.77 H new ATOM 0 HG3 GLU A 8 -1.884 -19.992 33.256 1.00 39.77 H new ATOM 112 N ALA A 9 -2.248 -23.800 31.988 1.00 39.09 N ATOM 113 CA ALA A 9 -3.150 -24.723 31.321 1.00 38.75 C ATOM 114 C ALA A 9 -4.613 -24.365 31.571 1.00 38.56 C ATOM 115 O ALA A 9 -4.924 -23.282 32.068 1.00 38.67 O ATOM 116 CB ALA A 9 -2.857 -26.150 31.765 1.00 38.76 C ATOM 0 H ALA A 9 -2.166 -23.944 32.995 1.00 39.09 H new ATOM 0 HA ALA A 9 -2.980 -24.644 30.247 1.00 38.75 H new ATOM 0 HB1 ALA A 9 -3.538 -26.835 31.260 1.00 38.76 H new ATOM 0 HB2 ALA A 9 -1.829 -26.407 31.510 1.00 38.76 H new ATOM 0 HB3 ALA A 9 -2.994 -26.231 32.843 1.00 38.76 H new ATOM 122 N GLU A 10 -5.502 -25.291 31.233 1.00 38.35 N ATOM 123 CA GLU A 10 -6.937 -25.028 31.245 1.00 38.21 C ATOM 124 C GLU A 10 -7.720 -26.102 32.012 1.00 37.73 C ATOM 125 O GLU A 10 -8.397 -25.794 32.994 1.00 37.49 O ATOM 126 CB GLU A 10 -7.439 -24.932 29.800 1.00 38.40 C ATOM 127 CG GLU A 10 -6.867 -26.012 28.889 1.00 38.59 C ATOM 128 CD GLU A 10 -7.361 -25.919 27.458 1.00 38.73 C ATOM 129 OE1 GLU A 10 -7.823 -24.827 27.067 1.00 38.82 O ATOM 130 OE2 GLU A 10 -7.320 -26.933 26.733 1.00 38.81 O ATOM 0 H GLU A 10 -5.253 -26.237 30.945 1.00 38.35 H new ATOM 0 HA GLU A 10 -7.105 -24.085 31.765 1.00 38.21 H new ATOM 0 HB2 GLU A 10 -8.527 -25.001 29.795 1.00 38.40 H new ATOM 0 HB3 GLU A 10 -7.180 -23.953 29.397 1.00 38.40 H new ATOM 0 HG2 GLU A 10 -5.779 -25.943 28.895 1.00 38.59 H new ATOM 0 HG3 GLU A 10 -7.126 -26.991 29.292 1.00 38.59 H new ATOM 137 N GLN A 11 -7.595 -27.355 31.567 1.00 37.65 N ATOM 138 CA GLN A 11 -8.417 -28.468 32.060 1.00 37.26 C ATOM 139 C GLN A 11 -9.880 -28.258 31.670 1.00 36.82 C ATOM 140 O GLN A 11 -10.709 -27.891 32.501 1.00 36.78 O ATOM 141 CB GLN A 11 -8.306 -28.661 33.580 1.00 37.34 C ATOM 142 CG GLN A 11 -6.924 -29.063 34.075 1.00 37.71 C ATOM 143 CD GLN A 11 -6.367 -30.287 33.376 1.00 37.79 C ATOM 144 OE1 GLN A 11 -6.619 -31.417 33.784 1.00 37.58 O ATOM 145 NE2 GLN A 11 -5.574 -30.065 32.339 1.00 38.16 N ATOM 0 H GLN A 11 -6.920 -27.629 30.853 1.00 37.65 H new ATOM 0 HA GLN A 11 -8.034 -29.374 31.591 1.00 37.26 H new ATOM 0 HB2 GLN A 11 -8.596 -27.733 34.072 1.00 37.34 H new ATOM 0 HB3 GLN A 11 -9.022 -29.423 33.888 1.00 37.34 H new ATOM 0 HG2 GLN A 11 -6.238 -28.228 33.932 1.00 37.71 H new ATOM 0 HG3 GLN A 11 -6.972 -29.256 35.147 1.00 37.71 H new ATOM 0 HE21 GLN A 11 -5.391 -29.110 32.032 1.00 38.16 H new ATOM 0 HE22 GLN A 11 -5.146 -30.849 31.847 1.00 38.16 H new ATOM 154 N PRO A 12 -10.208 -28.478 30.386 1.00 36.56 N ATOM 155 CA PRO A 12 -11.560 -28.268 29.857 1.00 36.18 C ATOM 156 C PRO A 12 -12.567 -29.257 30.436 1.00 35.97 C ATOM 157 O PRO A 12 -12.338 -30.470 30.427 1.00 36.19 O ATOM 158 CB PRO A 12 -11.404 -28.491 28.344 1.00 36.06 C ATOM 159 CG PRO A 12 -9.936 -28.451 28.088 1.00 36.50 C ATOM 160 CD PRO A 12 -9.292 -28.955 29.343 1.00 36.70 C ATOM 0 HA PRO A 12 -11.943 -27.280 30.114 1.00 36.18 H new ATOM 0 HB2 PRO A 12 -11.830 -29.448 28.042 1.00 36.06 H new ATOM 0 HB3 PRO A 12 -11.923 -27.718 27.777 1.00 36.06 H new ATOM 0 HG2 PRO A 12 -9.670 -29.074 27.234 1.00 36.50 H new ATOM 0 HG3 PRO A 12 -9.606 -27.438 27.858 1.00 36.50 H new ATOM 0 HD2 PRO A 12 -9.205 -30.042 29.346 1.00 36.70 H new ATOM 0 HD3 PRO A 12 -8.287 -28.554 29.472 1.00 36.70 H new ATOM 168 N GLY A 13 -13.668 -28.734 30.948 1.00 35.61 N ATOM 169 CA GLY A 13 -14.697 -29.572 31.523 1.00 35.47 C ATOM 170 C GLY A 13 -15.585 -28.796 32.470 1.00 35.16 C ATOM 171 O GLY A 13 -15.500 -27.569 32.538 1.00 35.17 O ATOM 0 H GLY A 13 -13.869 -27.734 30.976 1.00 35.61 H new ATOM 0 HA2 GLY A 13 -15.303 -30.003 30.726 1.00 35.47 H new ATOM 0 HA3 GLY A 13 -14.234 -30.403 32.056 1.00 35.47 H new ATOM 175 N ALA A 14 -16.431 -29.507 33.200 1.00 34.97 N ATOM 176 CA ALA A 14 -17.310 -28.883 34.176 1.00 34.74 C ATOM 177 C ALA A 14 -16.541 -28.555 35.447 1.00 34.24 C ATOM 178 O ALA A 14 -16.356 -29.410 36.315 1.00 34.14 O ATOM 179 CB ALA A 14 -18.493 -29.786 34.493 1.00 35.03 C ATOM 0 H ALA A 14 -16.527 -30.520 33.134 1.00 34.97 H new ATOM 0 HA ALA A 14 -17.692 -27.956 33.748 1.00 34.74 H new ATOM 0 HB1 ALA A 14 -19.137 -29.299 35.225 1.00 35.03 H new ATOM 0 HB2 ALA A 14 -19.060 -29.977 33.582 1.00 35.03 H new ATOM 0 HB3 ALA A 14 -18.131 -30.730 34.900 1.00 35.03 H new ATOM 185 N LEU A 15 -16.068 -27.325 35.533 1.00 34.01 N ATOM 186 CA LEU A 15 -15.302 -26.873 36.684 1.00 33.60 C ATOM 187 C LEU A 15 -16.028 -25.733 37.387 1.00 33.26 C ATOM 188 O LEU A 15 -15.649 -25.332 38.489 1.00 33.39 O ATOM 189 CB LEU A 15 -13.904 -26.422 36.237 1.00 33.42 C ATOM 190 CG LEU A 15 -12.955 -25.987 37.360 1.00 33.48 C ATOM 191 CD1 LEU A 15 -12.628 -27.154 38.276 1.00 33.70 C ATOM 192 CD2 LEU A 15 -11.682 -25.392 36.778 1.00 33.25 C ATOM 0 H LEU A 15 -16.202 -26.614 34.814 1.00 34.01 H new ATOM 0 HA LEU A 15 -15.197 -27.700 37.386 1.00 33.60 H new ATOM 0 HB2 LEU A 15 -13.437 -27.240 35.688 1.00 33.42 H new ATOM 0 HB3 LEU A 15 -14.016 -25.592 35.539 1.00 33.42 H new ATOM 0 HG LEU A 15 -13.457 -25.222 37.953 1.00 33.48 H new ATOM 0 HD11 LEU A 15 -11.953 -26.820 39.064 1.00 33.70 H new ATOM 0 HD12 LEU A 15 -13.547 -27.535 38.722 1.00 33.70 H new ATOM 0 HD13 LEU A 15 -12.149 -27.946 37.700 1.00 33.70 H new ATOM 0 HD21 LEU A 15 -11.019 -25.088 37.588 1.00 33.25 H new ATOM 0 HD22 LEU A 15 -11.182 -26.137 36.160 1.00 33.25 H new ATOM 0 HD23 LEU A 15 -11.932 -24.524 36.169 1.00 33.25 H new ATOM 204 N ALA A 16 -17.074 -25.217 36.732 1.00 32.89 N ATOM 205 CA ALA A 16 -17.852 -24.071 37.222 1.00 32.59 C ATOM 206 C ALA A 16 -17.054 -22.775 37.092 1.00 31.98 C ATOM 207 O ALA A 16 -17.594 -21.739 36.704 1.00 31.63 O ATOM 208 CB ALA A 16 -18.322 -24.277 38.665 1.00 32.80 C ATOM 0 H ALA A 16 -17.408 -25.585 35.841 1.00 32.89 H new ATOM 0 HA ALA A 16 -18.741 -23.992 36.597 1.00 32.59 H new ATOM 0 HB1 ALA A 16 -18.893 -23.407 38.989 1.00 32.80 H new ATOM 0 HB2 ALA A 16 -18.951 -25.165 38.719 1.00 32.80 H new ATOM 0 HB3 ALA A 16 -17.456 -24.405 39.315 1.00 32.80 H new ATOM 214 N ARG A 17 -15.771 -22.837 37.419 1.00 31.94 N ATOM 215 CA ARG A 17 -14.881 -21.703 37.271 1.00 31.46 C ATOM 216 C ARG A 17 -14.320 -21.650 35.857 1.00 31.11 C ATOM 217 O ARG A 17 -13.358 -22.348 35.537 1.00 31.11 O ATOM 218 CB ARG A 17 -13.727 -21.794 38.271 1.00 31.72 C ATOM 219 CG ARG A 17 -12.724 -20.663 38.139 1.00 31.75 C ATOM 220 CD ARG A 17 -11.422 -20.971 38.855 1.00 31.70 C ATOM 221 NE ARG A 17 -11.551 -20.944 40.310 1.00 31.67 N ATOM 222 CZ ARG A 17 -10.517 -21.089 41.138 1.00 31.67 C ATOM 223 NH1 ARG A 17 -9.308 -21.349 40.654 1.00 31.70 N ATOM 224 NH2 ARG A 17 -10.689 -20.990 42.450 1.00 31.71 N ATOM 0 H ARG A 17 -15.323 -23.673 37.793 1.00 31.94 H new ATOM 0 HA ARG A 17 -15.453 -20.796 37.466 1.00 31.46 H new ATOM 0 HB2 ARG A 17 -14.132 -21.794 39.283 1.00 31.72 H new ATOM 0 HB3 ARG A 17 -13.212 -22.745 38.134 1.00 31.72 H new ATOM 0 HG2 ARG A 17 -12.523 -20.479 37.084 1.00 31.75 H new ATOM 0 HG3 ARG A 17 -13.154 -19.748 38.546 1.00 31.75 H new ATOM 0 HD2 ARG A 17 -11.067 -21.954 38.545 1.00 31.70 H new ATOM 0 HD3 ARG A 17 -10.666 -20.248 38.549 1.00 31.70 H new ATOM 0 HE ARG A 17 -12.478 -20.807 40.712 1.00 31.67 H new ATOM 0 HH11 ARG A 17 -9.170 -21.438 39.647 1.00 31.70 H new ATOM 0 HH12 ARG A 17 -8.517 -21.460 41.289 1.00 31.70 H new ATOM 0 HH21 ARG A 17 -11.617 -20.802 42.830 1.00 31.71 H new ATOM 0 HH22 ARG A 17 -9.894 -21.102 43.079 1.00 31.71 H new ATOM 238 N GLU A 18 -14.938 -20.850 35.005 1.00 30.90 N ATOM 239 CA GLU A 18 -14.400 -20.608 33.672 1.00 30.62 C ATOM 240 C GLU A 18 -13.223 -19.640 33.767 1.00 30.39 C ATOM 241 O GLU A 18 -12.308 -19.672 32.945 1.00 30.35 O ATOM 242 CB GLU A 18 -15.488 -20.052 32.748 1.00 30.67 C ATOM 243 CG GLU A 18 -14.997 -19.712 31.351 1.00 30.69 C ATOM 244 CD GLU A 18 -16.105 -19.199 30.457 1.00 30.90 C ATOM 245 OE1 GLU A 18 -16.960 -18.426 30.938 1.00 31.24 O ATOM 246 OE2 GLU A 18 -16.126 -19.566 29.263 1.00 30.81 O ATOM 0 H GLU A 18 -15.808 -20.358 35.208 1.00 30.90 H new ATOM 0 HA GLU A 18 -14.050 -21.550 33.249 1.00 30.62 H new ATOM 0 HB2 GLU A 18 -16.293 -20.782 32.671 1.00 30.67 H new ATOM 0 HB3 GLU A 18 -15.912 -19.156 33.201 1.00 30.67 H new ATOM 0 HG2 GLU A 18 -14.211 -18.960 31.419 1.00 30.69 H new ATOM 0 HG3 GLU A 18 -14.552 -20.599 30.900 1.00 30.69 H new ATOM 253 N PHE A 19 -13.271 -18.799 34.805 1.00 30.33 N ATOM 254 CA PHE A 19 -12.224 -17.827 35.111 1.00 30.21 C ATOM 255 C PHE A 19 -12.192 -16.675 34.111 1.00 29.75 C ATOM 256 O PHE A 19 -12.026 -16.876 32.908 1.00 29.69 O ATOM 257 CB PHE A 19 -10.844 -18.500 35.203 1.00 30.57 C ATOM 258 CG PHE A 19 -9.718 -17.518 35.377 1.00 30.68 C ATOM 259 CD1 PHE A 19 -9.534 -16.855 36.581 1.00 31.05 C ATOM 260 CD2 PHE A 19 -8.857 -17.247 34.327 1.00 30.51 C ATOM 261 CE1 PHE A 19 -8.512 -15.937 36.732 1.00 31.24 C ATOM 262 CE2 PHE A 19 -7.831 -16.334 34.472 1.00 30.71 C ATOM 263 CZ PHE A 19 -7.660 -15.676 35.675 1.00 31.07 C ATOM 0 H PHE A 19 -14.050 -18.776 35.463 1.00 30.33 H new ATOM 0 HA PHE A 19 -12.468 -17.406 36.086 1.00 30.21 H new ATOM 0 HB2 PHE A 19 -10.842 -19.198 36.040 1.00 30.57 H new ATOM 0 HB3 PHE A 19 -10.671 -19.085 34.300 1.00 30.57 H new ATOM 0 HD1 PHE A 19 -10.196 -17.058 37.409 1.00 31.05 H new ATOM 0 HD2 PHE A 19 -8.989 -17.756 33.383 1.00 30.51 H new ATOM 0 HE1 PHE A 19 -8.379 -15.425 37.673 1.00 31.24 H new ATOM 0 HE2 PHE A 19 -7.164 -16.135 33.647 1.00 30.71 H new ATOM 0 HZ PHE A 19 -6.861 -14.958 35.789 1.00 31.07 H new ATOM 273 N LEU A 20 -12.369 -15.467 34.640 1.00 29.50 N ATOM 274 CA LEU A 20 -12.212 -14.233 33.877 1.00 29.16 C ATOM 275 C LEU A 20 -13.166 -14.203 32.687 1.00 28.50 C ATOM 276 O LEU A 20 -12.750 -14.304 31.529 1.00 28.35 O ATOM 277 CB LEU A 20 -10.759 -14.081 33.416 1.00 29.33 C ATOM 278 CG LEU A 20 -10.347 -12.669 33.013 1.00 29.60 C ATOM 279 CD1 LEU A 20 -10.422 -11.732 34.208 1.00 29.57 C ATOM 280 CD2 LEU A 20 -8.950 -12.674 32.412 1.00 29.85 C ATOM 0 H LEU A 20 -12.627 -15.317 35.615 1.00 29.50 H new ATOM 0 HA LEU A 20 -12.462 -13.392 34.523 1.00 29.16 H new ATOM 0 HB2 LEU A 20 -10.103 -14.418 34.219 1.00 29.33 H new ATOM 0 HB3 LEU A 20 -10.593 -14.746 32.569 1.00 29.33 H new ATOM 0 HG LEU A 20 -11.041 -12.307 32.254 1.00 29.60 H new ATOM 0 HD11 LEU A 20 -10.125 -10.729 33.903 1.00 29.57 H new ATOM 0 HD12 LEU A 20 -11.443 -11.708 34.588 1.00 29.57 H new ATOM 0 HD13 LEU A 20 -9.752 -12.087 34.991 1.00 29.57 H new ATOM 0 HD21 LEU A 20 -8.672 -11.659 32.130 1.00 29.85 H new ATOM 0 HD22 LEU A 20 -8.240 -13.054 33.146 1.00 29.85 H new ATOM 0 HD23 LEU A 20 -8.936 -13.313 31.529 1.00 29.85 H new ATOM 292 N ALA A 21 -14.455 -14.085 32.995 1.00 28.20 N ATOM 293 CA ALA A 21 -15.497 -14.075 31.974 1.00 27.66 C ATOM 294 C ALA A 21 -15.335 -12.900 31.017 1.00 27.05 C ATOM 295 O ALA A 21 -15.472 -13.057 29.804 1.00 26.92 O ATOM 296 CB ALA A 21 -16.874 -14.033 32.627 1.00 27.59 C ATOM 0 H ALA A 21 -14.803 -13.995 33.949 1.00 28.20 H new ATOM 0 HA ALA A 21 -15.401 -14.993 31.394 1.00 27.66 H new ATOM 0 HB1 ALA A 21 -17.643 -14.026 31.854 1.00 27.59 H new ATOM 0 HB2 ALA A 21 -17.004 -14.911 33.260 1.00 27.59 H new ATOM 0 HB3 ALA A 21 -16.961 -13.132 33.234 1.00 27.59 H new ATOM 302 N ALA A 22 -15.046 -11.724 31.558 1.00 26.78 N ATOM 303 CA ALA A 22 -14.870 -10.544 30.729 1.00 26.29 C ATOM 304 C ALA A 22 -13.912 -9.561 31.376 1.00 25.93 C ATOM 305 O ALA A 22 -14.062 -9.217 32.548 1.00 26.15 O ATOM 306 CB ALA A 22 -16.208 -9.870 30.456 1.00 26.23 C ATOM 0 H ALA A 22 -14.930 -11.564 32.559 1.00 26.78 H new ATOM 0 HA ALA A 22 -14.442 -10.867 29.780 1.00 26.29 H new ATOM 0 HB1 ALA A 22 -16.051 -8.989 29.834 1.00 26.23 H new ATOM 0 HB2 ALA A 22 -16.868 -10.567 29.939 1.00 26.23 H new ATOM 0 HB3 ALA A 22 -16.664 -9.571 31.400 1.00 26.23 H new ATOM 312 N MET A 23 -12.930 -9.124 30.602 1.00 25.45 N ATOM 313 CA MET A 23 -11.953 -8.140 31.056 1.00 25.17 C ATOM 314 C MET A 23 -11.061 -7.770 29.881 1.00 24.29 C ATOM 315 O MET A 23 -10.767 -6.600 29.635 1.00 24.04 O ATOM 316 CB MET A 23 -11.107 -8.696 32.209 1.00 25.82 C ATOM 317 CG MET A 23 -10.609 -7.624 33.162 1.00 26.18 C ATOM 318 SD MET A 23 -11.964 -6.755 33.977 1.00 26.73 S ATOM 319 CE MET A 23 -11.069 -5.615 35.032 1.00 27.47 C ATOM 0 H MET A 23 -12.786 -9.440 29.643 1.00 25.45 H new ATOM 0 HA MET A 23 -12.474 -7.257 31.426 1.00 25.17 H new ATOM 0 HB2 MET A 23 -11.699 -9.422 32.767 1.00 25.82 H new ATOM 0 HB3 MET A 23 -10.252 -9.232 31.797 1.00 25.82 H new ATOM 0 HG2 MET A 23 -9.966 -8.080 33.915 1.00 26.18 H new ATOM 0 HG3 MET A 23 -9.998 -6.908 32.613 1.00 26.18 H new ATOM 0 HE1 MET A 23 -11.778 -5.010 35.598 1.00 27.47 H new ATOM 0 HE2 MET A 23 -10.439 -6.176 35.722 1.00 27.47 H new ATOM 0 HE3 MET A 23 -10.446 -4.964 34.419 1.00 27.47 H new ATOM 329 N GLU A 24 -10.662 -8.798 29.147 1.00 23.92 N ATOM 330 CA GLU A 24 -9.898 -8.638 27.923 1.00 23.15 C ATOM 331 C GLU A 24 -10.826 -8.862 26.730 1.00 22.22 C ATOM 332 O GLU A 24 -11.440 -9.923 26.612 1.00 22.21 O ATOM 333 CB GLU A 24 -8.735 -9.635 27.908 1.00 23.57 C ATOM 334 CG GLU A 24 -7.790 -9.469 26.733 1.00 23.67 C ATOM 335 CD GLU A 24 -6.685 -10.503 26.744 1.00 24.03 C ATOM 336 OE1 GLU A 24 -6.880 -11.598 26.169 1.00 24.41 O ATOM 337 OE2 GLU A 24 -5.607 -10.218 27.307 1.00 24.02 O ATOM 0 H GLU A 24 -10.861 -9.769 29.386 1.00 23.92 H new ATOM 0 HA GLU A 24 -9.483 -7.632 27.865 1.00 23.15 H new ATOM 0 HB2 GLU A 24 -8.169 -9.530 28.833 1.00 23.57 H new ATOM 0 HB3 GLU A 24 -9.139 -10.647 27.895 1.00 23.57 H new ATOM 0 HG2 GLU A 24 -8.351 -9.548 25.802 1.00 23.67 H new ATOM 0 HG3 GLU A 24 -7.353 -8.471 26.758 1.00 23.67 H new ATOM 344 N PRO A 25 -10.975 -7.850 25.864 1.00 21.54 N ATOM 345 CA PRO A 25 -11.899 -7.902 24.721 1.00 20.70 C ATOM 346 C PRO A 25 -11.492 -8.933 23.674 1.00 19.96 C ATOM 347 O PRO A 25 -10.314 -9.046 23.328 1.00 19.79 O ATOM 348 CB PRO A 25 -11.824 -6.489 24.123 1.00 20.35 C ATOM 349 CG PRO A 25 -11.171 -5.649 25.171 1.00 20.99 C ATOM 350 CD PRO A 25 -10.262 -6.571 25.928 1.00 21.63 C ATOM 0 HA PRO A 25 -12.899 -8.198 25.038 1.00 20.70 H new ATOM 0 HB2 PRO A 25 -11.246 -6.484 23.199 1.00 20.35 H new ATOM 0 HB3 PRO A 25 -12.817 -6.112 23.880 1.00 20.35 H new ATOM 0 HG2 PRO A 25 -10.610 -4.829 24.722 1.00 20.99 H new ATOM 0 HG3 PRO A 25 -11.913 -5.202 25.832 1.00 20.99 H new ATOM 0 HD2 PRO A 25 -9.275 -6.634 25.469 1.00 21.63 H new ATOM 0 HD3 PRO A 25 -10.115 -6.240 26.956 1.00 21.63 H new ATOM 358 N GLU A 26 -12.469 -9.680 23.170 1.00 19.63 N ATOM 359 CA GLU A 26 -12.215 -10.658 22.121 1.00 19.01 C ATOM 360 C GLU A 26 -12.422 -10.023 20.746 1.00 17.82 C ATOM 361 O GLU A 26 -13.371 -9.260 20.543 1.00 17.39 O ATOM 362 CB GLU A 26 -13.124 -11.888 22.287 1.00 19.23 C ATOM 363 CG GLU A 26 -14.612 -11.576 22.216 1.00 19.90 C ATOM 364 CD GLU A 26 -15.480 -12.816 22.309 1.00 20.41 C ATOM 365 OE1 GLU A 26 -15.633 -13.516 21.286 1.00 20.64 O ATOM 366 OE2 GLU A 26 -15.996 -13.117 23.409 1.00 20.67 O ATOM 0 H GLU A 26 -13.442 -9.626 23.471 1.00 19.63 H new ATOM 0 HA GLU A 26 -11.180 -10.988 22.203 1.00 19.01 H new ATOM 0 HB2 GLU A 26 -12.879 -12.615 21.512 1.00 19.23 H new ATOM 0 HB3 GLU A 26 -12.908 -12.359 23.246 1.00 19.23 H new ATOM 0 HG2 GLU A 26 -14.874 -10.894 23.025 1.00 19.90 H new ATOM 0 HG3 GLU A 26 -14.825 -11.059 21.281 1.00 19.90 H new ATOM 373 N PRO A 27 -11.519 -10.295 19.797 1.00 17.38 N ATOM 374 CA PRO A 27 -11.628 -9.788 18.430 1.00 16.31 C ATOM 375 C PRO A 27 -12.725 -10.504 17.644 1.00 15.58 C ATOM 376 O PRO A 27 -12.803 -11.733 17.646 1.00 15.74 O ATOM 377 CB PRO A 27 -10.250 -10.080 17.813 1.00 16.33 C ATOM 378 CG PRO A 27 -9.383 -10.520 18.949 1.00 17.43 C ATOM 379 CD PRO A 27 -10.310 -11.103 19.974 1.00 18.02 C ATOM 0 HA PRO A 27 -11.894 -8.731 18.410 1.00 16.31 H new ATOM 0 HB2 PRO A 27 -10.319 -10.855 17.050 1.00 16.33 H new ATOM 0 HB3 PRO A 27 -9.841 -9.193 17.330 1.00 16.33 H new ATOM 0 HG2 PRO A 27 -8.652 -11.258 18.619 1.00 17.43 H new ATOM 0 HG3 PRO A 27 -8.824 -9.680 19.361 1.00 17.43 H new ATOM 0 HD2 PRO A 27 -10.499 -12.162 19.796 1.00 18.02 H new ATOM 0 HD3 PRO A 27 -9.907 -11.016 20.983 1.00 18.02 H new ATOM 387 N ALA A 28 -13.568 -9.729 16.979 1.00 14.93 N ATOM 388 CA ALA A 28 -14.649 -10.290 16.183 1.00 14.31 C ATOM 389 C ALA A 28 -14.117 -10.792 14.841 1.00 13.28 C ATOM 390 O ALA A 28 -13.160 -10.236 14.303 1.00 12.82 O ATOM 391 CB ALA A 28 -15.748 -9.253 15.981 1.00 14.27 C ATOM 0 H ALA A 28 -13.525 -8.710 16.975 1.00 14.93 H new ATOM 0 HA ALA A 28 -15.075 -11.139 16.717 1.00 14.31 H new ATOM 0 HB1 ALA A 28 -16.551 -9.685 15.384 1.00 14.27 H new ATOM 0 HB2 ALA A 28 -16.141 -8.946 16.950 1.00 14.27 H new ATOM 0 HB3 ALA A 28 -15.339 -8.385 15.464 1.00 14.27 H new ATOM 397 N PRO A 29 -14.714 -11.862 14.293 1.00 13.06 N ATOM 398 CA PRO A 29 -14.311 -12.409 13.001 1.00 12.21 C ATOM 399 C PRO A 29 -14.719 -11.507 11.844 1.00 11.34 C ATOM 400 O PRO A 29 -15.585 -10.640 11.992 1.00 11.36 O ATOM 401 CB PRO A 29 -15.050 -13.746 12.897 1.00 12.51 C ATOM 402 CG PRO A 29 -15.697 -13.968 14.228 1.00 13.50 C ATOM 403 CD PRO A 29 -15.825 -12.620 14.879 1.00 13.81 C ATOM 0 HA PRO A 29 -13.227 -12.508 12.940 1.00 12.21 H new ATOM 0 HB2 PRO A 29 -15.795 -13.719 12.102 1.00 12.51 H new ATOM 0 HB3 PRO A 29 -14.360 -14.555 12.660 1.00 12.51 H new ATOM 0 HG2 PRO A 29 -16.675 -14.434 14.109 1.00 13.50 H new ATOM 0 HG3 PRO A 29 -15.097 -14.639 14.843 1.00 13.50 H new ATOM 0 HD2 PRO A 29 -16.788 -12.157 14.662 1.00 13.81 H new ATOM 0 HD3 PRO A 29 -15.740 -12.686 15.964 1.00 13.81 H new ATOM 411 N ALA A 30 -14.098 -11.741 10.694 1.00 10.76 N ATOM 412 CA ALA A 30 -14.313 -10.937 9.498 1.00 10.06 C ATOM 413 C ALA A 30 -13.991 -9.464 9.759 1.00 8.93 C ATOM 414 O ALA A 30 -14.885 -8.619 9.800 1.00 8.35 O ATOM 415 CB ALA A 30 -15.737 -11.100 8.975 1.00 10.54 C ATOM 0 H ALA A 30 -13.427 -12.498 10.565 1.00 10.76 H new ATOM 0 HA ALA A 30 -13.630 -11.298 8.729 1.00 10.06 H new ATOM 0 HB1 ALA A 30 -15.869 -10.489 8.082 1.00 10.54 H new ATOM 0 HB2 ALA A 30 -15.916 -12.146 8.728 1.00 10.54 H new ATOM 0 HB3 ALA A 30 -16.444 -10.781 9.741 1.00 10.54 H new ATOM 421 N PRO A 31 -12.704 -9.144 9.962 1.00 8.82 N ATOM 422 CA PRO A 31 -12.273 -7.776 10.253 1.00 7.95 C ATOM 423 C PRO A 31 -12.239 -6.891 9.009 1.00 6.75 C ATOM 424 O PRO A 31 -11.614 -7.236 8.000 1.00 6.83 O ATOM 425 CB PRO A 31 -10.869 -7.967 10.822 1.00 8.63 C ATOM 426 CG PRO A 31 -10.362 -9.212 10.175 1.00 9.60 C ATOM 427 CD PRO A 31 -11.564 -10.085 9.929 1.00 9.77 C ATOM 0 HA PRO A 31 -12.958 -7.268 10.931 1.00 7.95 H new ATOM 0 HB2 PRO A 31 -10.230 -7.114 10.593 1.00 8.63 H new ATOM 0 HB3 PRO A 31 -10.892 -8.066 11.907 1.00 8.63 H new ATOM 0 HG2 PRO A 31 -9.851 -8.983 9.240 1.00 9.60 H new ATOM 0 HG3 PRO A 31 -9.640 -9.717 10.817 1.00 9.60 H new ATOM 0 HD2 PRO A 31 -11.496 -10.596 8.969 1.00 9.77 H new ATOM 0 HD3 PRO A 31 -11.661 -10.856 10.694 1.00 9.77 H new ATOM 435 N ALA A 32 -12.917 -5.752 9.084 1.00 5.86 N ATOM 436 CA ALA A 32 -12.952 -4.805 7.975 1.00 4.75 C ATOM 437 C ALA A 32 -11.570 -4.201 7.735 1.00 3.89 C ATOM 438 O ALA A 32 -10.882 -3.818 8.684 1.00 3.98 O ATOM 439 CB ALA A 32 -13.976 -3.710 8.242 1.00 4.57 C ATOM 0 H ALA A 32 -13.451 -5.461 9.903 1.00 5.86 H new ATOM 0 HA ALA A 32 -13.249 -5.343 7.075 1.00 4.75 H new ATOM 0 HB1 ALA A 32 -13.989 -3.012 7.405 1.00 4.57 H new ATOM 0 HB2 ALA A 32 -14.964 -4.156 8.358 1.00 4.57 H new ATOM 0 HB3 ALA A 32 -13.709 -3.177 9.155 1.00 4.57 H new ATOM 445 N PRO A 33 -11.142 -4.122 6.464 1.00 3.62 N ATOM 446 CA PRO A 33 -9.823 -3.589 6.099 1.00 3.45 C ATOM 447 C PRO A 33 -9.723 -2.073 6.267 1.00 2.48 C ATOM 448 O PRO A 33 -8.631 -1.515 6.201 1.00 3.06 O ATOM 449 CB PRO A 33 -9.683 -3.967 4.624 1.00 4.15 C ATOM 450 CG PRO A 33 -11.083 -4.064 4.124 1.00 4.47 C ATOM 451 CD PRO A 33 -11.905 -4.566 5.280 1.00 4.26 C ATOM 0 HA PRO A 33 -9.039 -3.993 6.740 1.00 3.45 H new ATOM 0 HB2 PRO A 33 -9.117 -3.215 4.074 1.00 4.15 H new ATOM 0 HB3 PRO A 33 -9.154 -4.913 4.506 1.00 4.15 H new ATOM 0 HG2 PRO A 33 -11.443 -3.094 3.782 1.00 4.47 H new ATOM 0 HG3 PRO A 33 -11.147 -4.745 3.275 1.00 4.47 H new ATOM 0 HD2 PRO A 33 -12.911 -4.146 5.270 1.00 4.26 H new ATOM 0 HD3 PRO A 33 -12.012 -5.650 5.255 1.00 4.26 H new ATOM 459 N GLU A 34 -10.879 -1.423 6.445 1.00 1.57 N ATOM 460 CA GLU A 34 -10.972 0.031 6.667 1.00 1.27 C ATOM 461 C GLU A 34 -10.781 0.811 5.371 1.00 1.08 C ATOM 462 O GLU A 34 -10.962 2.028 5.344 1.00 1.44 O ATOM 463 CB GLU A 34 -9.973 0.505 7.731 1.00 2.01 C ATOM 464 CG GLU A 34 -10.303 0.021 9.132 1.00 2.68 C ATOM 465 CD GLU A 34 -11.590 0.618 9.656 1.00 3.58 C ATOM 466 OE1 GLU A 34 -12.671 0.076 9.347 1.00 4.13 O ATOM 467 OE2 GLU A 34 -11.527 1.630 10.383 1.00 4.13 O ATOM 0 H GLU A 34 -11.785 -1.892 6.440 1.00 1.57 H new ATOM 0 HA GLU A 34 -11.978 0.230 7.035 1.00 1.27 H new ATOM 0 HB2 GLU A 34 -8.976 0.158 7.461 1.00 2.01 H new ATOM 0 HB3 GLU A 34 -9.943 1.595 7.730 1.00 2.01 H new ATOM 0 HG2 GLU A 34 -10.384 -1.066 9.129 1.00 2.68 H new ATOM 0 HG3 GLU A 34 -9.485 0.278 9.805 1.00 2.68 H new ATOM 474 N GLU A 35 -10.420 0.087 4.309 1.00 1.01 N ATOM 475 CA GLU A 35 -10.262 0.645 2.962 1.00 0.87 C ATOM 476 C GLU A 35 -9.339 1.857 2.958 1.00 0.73 C ATOM 477 O GLU A 35 -9.780 2.995 3.116 1.00 0.89 O ATOM 478 CB GLU A 35 -11.615 1.041 2.377 1.00 1.09 C ATOM 479 CG GLU A 35 -11.645 1.046 0.857 1.00 1.72 C ATOM 480 CD GLU A 35 -11.416 -0.333 0.277 1.00 1.94 C ATOM 481 OE1 GLU A 35 -12.394 -1.093 0.127 1.00 2.36 O ATOM 482 OE2 GLU A 35 -10.251 -0.658 -0.044 1.00 2.45 O ATOM 0 H GLU A 35 -10.227 -0.913 4.360 1.00 1.01 H new ATOM 0 HA GLU A 35 -9.813 -0.135 2.346 1.00 0.87 H new ATOM 0 HB2 GLU A 35 -12.376 0.352 2.744 1.00 1.09 H new ATOM 0 HB3 GLU A 35 -11.882 2.033 2.740 1.00 1.09 H new ATOM 0 HG2 GLU A 35 -12.607 1.427 0.515 1.00 1.72 H new ATOM 0 HG3 GLU A 35 -10.881 1.728 0.482 1.00 1.72 H new ATOM 489 N TRP A 36 -8.057 1.609 2.783 1.00 0.53 N ATOM 490 CA TRP A 36 -7.082 2.683 2.767 1.00 0.45 C ATOM 491 C TRP A 36 -6.962 3.280 1.369 1.00 0.46 C ATOM 492 O TRP A 36 -7.800 3.046 0.497 1.00 0.52 O ATOM 493 CB TRP A 36 -5.707 2.180 3.191 1.00 0.38 C ATOM 494 CG TRP A 36 -5.706 1.102 4.226 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.583 0.924 5.261 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.744 0.056 4.330 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.230 -0.188 5.985 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.102 -0.740 5.430 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.618 -0.298 3.583 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.359 -1.854 5.813 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.897 -1.399 3.958 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.266 -2.172 5.056 1.00 0.19 C ATOM 0 H TRP A 36 -7.666 0.676 2.650 1.00 0.53 H new ATOM 0 HA TRP A 36 -7.427 3.442 3.469 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -5.186 1.811 2.307 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -5.132 3.024 3.571 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.427 1.563 5.476 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.725 -0.546 6.802 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.322 0.287 2.725 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.636 -2.444 6.675 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.021 -1.675 3.389 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.677 -3.040 5.315 1.00 0.19 H new ATOM 513 N LEU A 37 -5.896 4.033 1.157 1.00 0.43 N ATOM 514 CA LEU A 37 -5.626 4.625 -0.138 1.00 0.42 C ATOM 515 C LEU A 37 -4.964 3.606 -1.047 1.00 0.37 C ATOM 516 O LEU A 37 -3.824 3.204 -0.806 1.00 0.35 O ATOM 517 CB LEU A 37 -4.707 5.832 0.025 1.00 0.45 C ATOM 518 CG LEU A 37 -4.353 6.570 -1.268 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.598 7.154 -1.912 1.00 0.49 C ATOM 520 CD2 LEU A 37 -3.328 7.659 -0.990 1.00 0.50 C ATOM 0 H LEU A 37 -5.201 4.249 1.871 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.569 4.945 -0.582 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -5.181 6.538 0.708 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.783 5.502 0.499 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.917 5.855 -1.966 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -5.323 7.674 -2.830 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -6.298 6.351 -2.145 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -6.068 7.856 -1.224 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -3.085 8.176 -1.918 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -3.739 8.372 -0.275 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -2.424 7.211 -0.577 1.00 0.50 H new ATOM 532 N ASP A 38 -5.679 3.163 -2.072 1.00 0.38 N ATOM 533 CA ASP A 38 -5.076 2.291 -3.061 1.00 0.41 C ATOM 534 C ASP A 38 -4.141 3.083 -3.952 1.00 0.39 C ATOM 535 O ASP A 38 -4.539 4.074 -4.567 1.00 0.44 O ATOM 536 CB ASP A 38 -6.116 1.563 -3.909 1.00 0.56 C ATOM 537 CG ASP A 38 -5.514 0.366 -4.617 1.00 1.78 C ATOM 538 OD1 ASP A 38 -4.887 0.547 -5.672 1.00 2.14 O ATOM 539 OD2 ASP A 38 -5.656 -0.765 -4.120 1.00 2.51 O ATOM 0 H ASP A 38 -6.660 3.390 -2.236 1.00 0.38 H new ATOM 0 HA ASP A 38 -4.513 1.531 -2.519 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.940 1.236 -3.275 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -6.533 2.250 -4.645 1.00 0.56 H new ATOM 544 N ILE A 39 -2.896 2.635 -3.997 1.00 0.38 N ATOM 545 CA ILE A 39 -1.850 3.253 -4.794 1.00 0.38 C ATOM 546 C ILE A 39 -2.266 3.374 -6.257 1.00 0.39 C ATOM 547 O ILE A 39 -1.971 4.370 -6.918 1.00 0.46 O ATOM 548 CB ILE A 39 -0.551 2.426 -4.687 1.00 0.39 C ATOM 549 CG1 ILE A 39 -0.141 2.312 -3.215 1.00 0.40 C ATOM 550 CG2 ILE A 39 0.569 3.023 -5.528 1.00 0.41 C ATOM 551 CD1 ILE A 39 1.279 1.828 -2.997 1.00 0.43 C ATOM 0 H ILE A 39 -2.580 1.819 -3.472 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.678 4.257 -4.406 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.740 1.428 -5.083 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.256 3.287 -2.742 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -0.826 1.630 -2.711 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.466 2.412 -5.426 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.264 3.048 -6.574 1.00 0.41 H new ATOM 0 HG23 ILE A 39 0.779 4.037 -5.187 1.00 0.41 H new ATOM 0 HD11 ILE A 39 1.486 1.777 -1.928 1.00 0.43 H new ATOM 0 HD12 ILE A 39 1.398 0.838 -3.438 1.00 0.43 H new ATOM 0 HD13 ILE A 39 1.976 2.521 -3.468 1.00 0.43 H new ATOM 563 N LEU A 40 -2.965 2.365 -6.751 1.00 0.39 N ATOM 564 CA LEU A 40 -3.395 2.357 -8.142 1.00 0.49 C ATOM 565 C LEU A 40 -4.907 2.494 -8.236 1.00 0.49 C ATOM 566 O LEU A 40 -5.481 2.466 -9.327 1.00 0.62 O ATOM 567 CB LEU A 40 -2.938 1.068 -8.834 1.00 0.56 C ATOM 568 CG LEU A 40 -1.430 0.806 -8.807 1.00 0.59 C ATOM 569 CD1 LEU A 40 -1.109 -0.454 -9.584 1.00 0.62 C ATOM 570 CD2 LEU A 40 -0.666 1.985 -9.381 1.00 0.72 C ATOM 0 H LEU A 40 -3.246 1.545 -6.214 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.938 3.208 -8.647 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -3.444 0.225 -8.364 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -3.266 1.098 -9.873 1.00 0.56 H new ATOM 0 HG LEU A 40 -1.122 0.673 -7.770 1.00 0.59 H new ATOM 0 HD11 LEU A 40 -0.034 -0.633 -9.560 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -1.628 -1.301 -9.135 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -1.434 -0.337 -10.618 1.00 0.62 H new ATOM 0 HD21 LEU A 40 0.403 1.775 -9.351 1.00 0.72 H new ATOM 0 HD22 LEU A 40 -0.974 2.151 -10.413 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.877 2.877 -8.792 1.00 0.72 H new ATOM 582 N GLY A 41 -5.540 2.653 -7.082 1.00 0.43 N ATOM 583 CA GLY A 41 -6.985 2.716 -7.013 1.00 0.51 C ATOM 584 C GLY A 41 -7.636 1.441 -7.517 1.00 0.45 C ATOM 585 O GLY A 41 -8.806 1.441 -7.914 1.00 0.52 O ATOM 0 H GLY A 41 -5.070 2.740 -6.181 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -7.291 2.896 -5.982 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -7.339 3.561 -7.603 1.00 0.51 H new ATOM 589 N ASN A 42 -6.881 0.346 -7.491 1.00 0.39 N ATOM 590 CA ASN A 42 -7.370 -0.927 -8.019 1.00 0.42 C ATOM 591 C ASN A 42 -8.038 -1.782 -6.938 1.00 0.43 C ATOM 592 O ASN A 42 -8.924 -2.582 -7.236 1.00 0.56 O ATOM 593 CB ASN A 42 -6.262 -1.714 -8.755 1.00 0.49 C ATOM 594 CG ASN A 42 -5.252 -2.448 -7.869 1.00 0.55 C ATOM 595 OD1 ASN A 42 -4.829 -3.556 -8.203 1.00 0.95 O ATOM 596 ND2 ASN A 42 -4.808 -1.841 -6.783 1.00 0.44 N ATOM 0 H ASN A 42 -5.934 0.313 -7.113 1.00 0.39 H new ATOM 0 HA ASN A 42 -8.136 -0.682 -8.755 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -6.738 -2.444 -9.410 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -5.716 -1.020 -9.395 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -4.100 -2.290 -6.201 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -5.173 -0.924 -6.526 1.00 0.44 H new ATOM 603 N GLY A 43 -7.624 -1.608 -5.690 1.00 0.40 N ATOM 604 CA GLY A 43 -8.266 -2.303 -4.586 1.00 0.50 C ATOM 605 C GLY A 43 -7.408 -3.425 -4.037 1.00 0.45 C ATOM 606 O GLY A 43 -7.814 -4.149 -3.128 1.00 0.72 O ATOM 0 H GLY A 43 -6.853 -0.997 -5.420 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -8.484 -1.592 -3.789 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -9.221 -2.709 -4.921 1.00 0.50 H new ATOM 610 N LEU A 44 -6.215 -3.564 -4.590 1.00 0.29 N ATOM 611 CA LEU A 44 -5.303 -4.630 -4.196 1.00 0.36 C ATOM 612 C LEU A 44 -4.073 -4.064 -3.492 1.00 0.25 C ATOM 613 O LEU A 44 -3.460 -4.734 -2.668 1.00 0.27 O ATOM 614 CB LEU A 44 -4.847 -5.441 -5.422 1.00 0.60 C ATOM 615 CG LEU A 44 -5.878 -6.392 -6.046 1.00 0.51 C ATOM 616 CD1 LEU A 44 -6.387 -7.383 -5.016 1.00 1.46 C ATOM 617 CD2 LEU A 44 -7.029 -5.633 -6.688 1.00 1.56 C ATOM 0 H LEU A 44 -5.852 -2.949 -5.318 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.843 -5.282 -3.510 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.522 -4.740 -6.191 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -3.974 -6.027 -5.136 1.00 0.60 H new ATOM 0 HG LEU A 44 -5.376 -6.948 -6.838 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -7.116 -8.047 -5.480 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -5.553 -7.971 -4.633 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.858 -6.844 -4.194 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -7.737 -6.341 -7.118 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -7.533 -5.030 -5.933 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -6.643 -4.983 -7.474 1.00 1.56 H new ATOM 629 N LEU A 45 -3.716 -2.837 -3.838 1.00 0.23 N ATOM 630 CA LEU A 45 -2.473 -2.227 -3.380 1.00 0.22 C ATOM 631 C LEU A 45 -2.747 -0.928 -2.624 1.00 0.22 C ATOM 632 O LEU A 45 -2.960 0.111 -3.229 1.00 0.32 O ATOM 633 CB LEU A 45 -1.575 -2.002 -4.596 1.00 0.30 C ATOM 634 CG LEU A 45 -0.365 -1.096 -4.401 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.545 -1.639 -3.319 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.383 -0.960 -5.712 1.00 0.31 C ATOM 0 H LEU A 45 -4.276 -2.236 -4.442 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.966 -2.889 -2.678 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -1.220 -2.973 -4.940 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -2.186 -1.585 -5.396 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.708 -0.111 -4.083 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.402 -0.976 -3.197 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -0.003 -1.699 -2.379 1.00 0.28 H new ATOM 0 HD13 LEU A 45 0.893 -2.633 -3.601 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.248 -0.312 -5.572 1.00 0.31 H new ATOM 0 HD22 LEU A 45 0.716 -1.943 -6.045 1.00 0.31 H new ATOM 0 HD23 LEU A 45 -0.277 -0.527 -6.464 1.00 0.31 H new ATOM 648 N ARG A 46 -2.722 -0.985 -1.304 1.00 0.20 N ATOM 649 CA ARG A 46 -3.149 0.144 -0.482 1.00 0.22 C ATOM 650 C ARG A 46 -2.142 0.460 0.617 1.00 0.19 C ATOM 651 O ARG A 46 -1.655 -0.443 1.283 1.00 0.19 O ATOM 652 CB ARG A 46 -4.493 -0.186 0.149 1.00 0.25 C ATOM 653 CG ARG A 46 -5.644 -0.160 -0.834 1.00 0.36 C ATOM 654 CD ARG A 46 -6.875 -0.840 -0.270 1.00 0.37 C ATOM 655 NE ARG A 46 -6.621 -2.261 -0.023 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.554 -3.151 0.312 1.00 0.75 C ATOM 657 NH1 ARG A 46 -8.825 -2.798 0.416 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.221 -4.417 0.522 1.00 0.99 N ATOM 0 H ARG A 46 -2.411 -1.799 -0.774 1.00 0.20 H new ATOM 0 HA ARG A 46 -3.227 1.021 -1.124 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.438 -1.174 0.606 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.694 0.525 0.950 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.883 0.873 -1.088 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -5.345 -0.655 -1.758 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -7.171 -0.353 0.659 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.707 -0.731 -0.966 1.00 0.37 H new ATOM 0 HE ARG A 46 -5.661 -2.593 -0.114 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -9.102 -1.833 0.239 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -9.527 -3.491 0.673 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.249 -4.711 0.427 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -7.937 -5.097 0.778 1.00 0.99 H new ATOM 672 N LYS A 47 -1.868 1.744 0.818 1.00 0.20 N ATOM 673 CA LYS A 47 -0.923 2.191 1.837 1.00 0.17 C ATOM 674 C LYS A 47 -1.682 2.869 2.980 1.00 0.18 C ATOM 675 O LYS A 47 -2.427 3.823 2.751 1.00 0.22 O ATOM 676 CB LYS A 47 0.056 3.193 1.206 1.00 0.23 C ATOM 677 CG LYS A 47 1.381 3.332 1.942 1.00 0.25 C ATOM 678 CD LYS A 47 2.086 4.635 1.620 1.00 0.32 C ATOM 679 CE LYS A 47 1.467 5.807 2.380 1.00 0.20 C ATOM 680 NZ LYS A 47 2.458 6.886 2.676 1.00 0.35 N ATOM 0 H LYS A 47 -2.292 2.502 0.283 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.374 1.335 2.230 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.256 2.888 0.179 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.424 4.171 1.161 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.205 3.273 3.016 1.00 0.25 H new ATOM 0 HG3 LYS A 47 2.029 2.496 1.679 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.142 4.551 1.875 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.031 4.825 0.548 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.647 6.222 1.795 1.00 0.20 H new ATOM 0 HE3 LYS A 47 1.040 5.444 3.315 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.972 7.693 3.116 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 3.183 6.522 3.326 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.910 7.195 1.791 1.00 0.35 H new ATOM 694 N LYS A 48 -1.510 2.373 4.203 1.00 0.16 N ATOM 695 CA LYS A 48 -2.138 2.994 5.367 1.00 0.18 C ATOM 696 C LYS A 48 -1.110 3.755 6.184 1.00 0.17 C ATOM 697 O LYS A 48 -0.234 3.155 6.807 1.00 0.22 O ATOM 698 CB LYS A 48 -2.834 1.957 6.259 1.00 0.25 C ATOM 699 CG LYS A 48 -3.522 2.576 7.471 1.00 0.32 C ATOM 700 CD LYS A 48 -4.662 1.715 7.994 1.00 0.69 C ATOM 701 CE LYS A 48 -4.168 0.516 8.792 1.00 0.52 C ATOM 702 NZ LYS A 48 -3.726 0.900 10.163 1.00 1.07 N ATOM 0 H LYS A 48 -0.946 1.550 4.413 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.893 3.686 4.994 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.572 1.415 5.668 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.099 1.227 6.599 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -2.789 2.725 8.264 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -3.907 3.560 7.204 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -5.313 2.322 8.623 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -5.264 1.366 7.155 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -4.964 -0.225 8.862 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -3.340 0.045 8.263 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -2.939 0.288 10.458 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -3.412 1.891 10.161 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -4.519 0.789 10.827 1.00 1.07 H new ATOM 716 N THR A 49 -1.220 5.072 6.173 1.00 0.18 N ATOM 717 CA THR A 49 -0.341 5.918 6.952 1.00 0.20 C ATOM 718 C THR A 49 -0.642 5.791 8.438 1.00 0.21 C ATOM 719 O THR A 49 -1.602 6.374 8.940 1.00 0.29 O ATOM 720 CB THR A 49 -0.480 7.391 6.525 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.861 7.695 6.269 1.00 0.33 O ATOM 722 CG2 THR A 49 0.351 7.679 5.283 1.00 0.25 C ATOM 0 H THR A 49 -1.917 5.579 5.627 1.00 0.18 H new ATOM 0 HA THR A 49 0.682 5.588 6.768 1.00 0.20 H new ATOM 0 HB THR A 49 -0.113 8.020 7.336 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.407 7.399 7.027 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.235 8.726 5.002 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.401 7.473 5.492 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.013 7.044 4.464 1.00 0.25 H new ATOM 730 N LEU A 50 0.154 4.984 9.123 1.00 0.18 N ATOM 731 CA LEU A 50 0.085 4.918 10.571 1.00 0.21 C ATOM 732 C LEU A 50 0.538 6.264 11.090 1.00 0.23 C ATOM 733 O LEU A 50 -0.140 6.938 11.865 1.00 0.28 O ATOM 734 CB LEU A 50 1.013 3.818 11.076 1.00 0.21 C ATOM 735 CG LEU A 50 0.995 2.529 10.253 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.163 1.651 10.648 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.319 1.794 10.432 1.00 0.24 C ATOM 0 H LEU A 50 0.851 4.370 8.701 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.925 4.691 10.913 1.00 0.21 H new ATOM 0 HB2 LEU A 50 2.032 4.204 11.096 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.742 3.579 12.104 1.00 0.21 H new ATOM 0 HG LEU A 50 1.091 2.784 9.198 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.145 0.734 10.058 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.097 2.183 10.464 1.00 0.21 H new ATOM 0 HD13 LEU A 50 2.090 1.403 11.707 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.309 0.881 9.837 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.454 1.541 11.484 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.140 2.431 10.104 1.00 0.24 H new ATOM 749 N VAL A 51 1.706 6.638 10.602 1.00 0.23 N ATOM 750 CA VAL A 51 2.267 7.959 10.764 1.00 0.27 C ATOM 751 C VAL A 51 2.850 8.342 9.430 1.00 0.24 C ATOM 752 O VAL A 51 3.517 7.517 8.825 1.00 0.23 O ATOM 753 CB VAL A 51 3.401 7.977 11.797 1.00 0.30 C ATOM 754 CG1 VAL A 51 4.002 9.369 11.936 1.00 0.36 C ATOM 755 CG2 VAL A 51 2.911 7.465 13.136 1.00 0.36 C ATOM 0 H VAL A 51 2.305 6.010 10.067 1.00 0.23 H new ATOM 0 HA VAL A 51 1.490 8.642 11.106 1.00 0.27 H new ATOM 0 HB VAL A 51 4.188 7.312 11.441 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.803 9.347 12.675 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.404 9.689 10.975 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.230 10.068 12.257 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.730 7.486 13.855 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.099 8.098 13.493 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.551 6.442 13.025 1.00 0.36 H new ATOM 765 N PRO A 52 2.562 9.535 8.920 1.00 0.29 N ATOM 766 CA PRO A 52 3.097 9.995 7.657 1.00 0.32 C ATOM 767 C PRO A 52 4.201 11.050 7.800 1.00 0.34 C ATOM 768 O PRO A 52 4.146 12.113 7.178 1.00 0.54 O ATOM 769 CB PRO A 52 1.838 10.569 7.046 1.00 0.41 C ATOM 770 CG PRO A 52 1.103 11.192 8.200 1.00 0.46 C ATOM 771 CD PRO A 52 1.608 10.510 9.455 1.00 0.37 C ATOM 0 HA PRO A 52 3.596 9.220 7.075 1.00 0.32 H new ATOM 0 HB2 PRO A 52 2.071 11.308 6.280 1.00 0.41 H new ATOM 0 HB3 PRO A 52 1.240 9.793 6.568 1.00 0.41 H new ATOM 0 HG2 PRO A 52 1.287 12.266 8.242 1.00 0.46 H new ATOM 0 HG3 PRO A 52 0.027 11.057 8.092 1.00 0.46 H new ATOM 0 HD2 PRO A 52 2.086 11.214 10.136 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.802 10.028 10.008 1.00 0.37 H new ATOM 779 N GLY A 53 5.212 10.736 8.602 1.00 0.24 N ATOM 780 CA GLY A 53 6.350 11.618 8.744 1.00 0.28 C ATOM 781 C GLY A 53 6.140 12.688 9.789 1.00 0.29 C ATOM 782 O GLY A 53 5.007 13.115 10.031 1.00 0.55 O ATOM 0 H GLY A 53 5.262 9.882 9.158 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.229 11.029 9.006 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.558 12.091 7.784 1.00 0.28 H new ATOM 786 N PRO A 54 7.219 13.122 10.452 1.00 0.52 N ATOM 787 CA PRO A 54 7.171 14.262 11.362 1.00 0.67 C ATOM 788 C PRO A 54 6.948 15.555 10.586 1.00 0.78 C ATOM 789 O PRO A 54 7.389 15.667 9.443 1.00 1.20 O ATOM 790 CB PRO A 54 8.549 14.259 12.026 1.00 1.03 C ATOM 791 CG PRO A 54 9.435 13.536 11.070 1.00 1.42 C ATOM 792 CD PRO A 54 8.565 12.535 10.364 1.00 0.91 C ATOM 0 HA PRO A 54 6.357 14.195 12.084 1.00 0.67 H new ATOM 0 HB2 PRO A 54 8.904 15.274 12.203 1.00 1.03 H new ATOM 0 HB3 PRO A 54 8.520 13.758 12.994 1.00 1.03 H new ATOM 0 HG2 PRO A 54 9.887 14.228 10.359 1.00 1.42 H new ATOM 0 HG3 PRO A 54 10.251 13.040 11.595 1.00 1.42 H new ATOM 0 HD2 PRO A 54 8.874 12.395 9.328 1.00 0.91 H new ATOM 0 HD3 PRO A 54 8.608 11.557 10.844 1.00 0.91 H new ATOM 800 N PRO A 55 6.250 16.536 11.188 1.00 0.97 N ATOM 801 CA PRO A 55 5.941 17.811 10.532 1.00 1.24 C ATOM 802 C PRO A 55 7.168 18.445 9.883 1.00 0.93 C ATOM 803 O PRO A 55 8.064 18.943 10.565 1.00 1.20 O ATOM 804 CB PRO A 55 5.415 18.680 11.674 1.00 1.81 C ATOM 805 CG PRO A 55 4.842 17.710 12.644 1.00 2.04 C ATOM 806 CD PRO A 55 5.699 16.475 12.553 1.00 1.47 C ATOM 0 HA PRO A 55 5.229 17.689 9.716 1.00 1.24 H new ATOM 0 HB2 PRO A 55 6.214 19.269 12.126 1.00 1.81 H new ATOM 0 HB3 PRO A 55 4.660 19.383 11.323 1.00 1.81 H new ATOM 0 HG2 PRO A 55 4.851 18.118 13.655 1.00 2.04 H new ATOM 0 HG3 PRO A 55 3.804 17.483 12.402 1.00 2.04 H new ATOM 0 HD2 PRO A 55 6.488 16.478 13.305 1.00 1.47 H new ATOM 0 HD3 PRO A 55 5.114 15.569 12.709 1.00 1.47 H new ATOM 814 N GLY A 56 7.203 18.403 8.557 1.00 0.98 N ATOM 815 CA GLY A 56 8.333 18.933 7.825 1.00 0.82 C ATOM 816 C GLY A 56 9.202 17.837 7.243 1.00 0.64 C ATOM 817 O GLY A 56 10.418 17.997 7.126 1.00 0.69 O ATOM 0 H GLY A 56 6.464 18.009 7.975 1.00 0.98 H new ATOM 0 HA2 GLY A 56 7.974 19.575 7.021 1.00 0.82 H new ATOM 0 HA3 GLY A 56 8.933 19.557 8.488 1.00 0.82 H new ATOM 821 N SER A 57 8.586 16.713 6.901 1.00 0.52 N ATOM 822 CA SER A 57 9.279 15.614 6.262 1.00 0.40 C ATOM 823 C SER A 57 9.544 15.911 4.793 1.00 0.34 C ATOM 824 O SER A 57 9.389 17.041 4.327 1.00 0.43 O ATOM 825 CB SER A 57 8.435 14.350 6.391 1.00 0.40 C ATOM 826 OG SER A 57 7.081 14.683 6.645 1.00 0.99 O ATOM 0 H SER A 57 7.593 16.542 7.061 1.00 0.52 H new ATOM 0 HA SER A 57 10.241 15.473 6.755 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.506 13.763 5.475 1.00 0.40 H new ATOM 0 HB3 SER A 57 8.821 13.728 7.199 1.00 0.40 H new ATOM 0 HG SER A 57 6.969 14.897 7.595 1.00 0.99 H new ATOM 832 N SER A 58 9.943 14.885 4.074 1.00 0.28 N ATOM 833 CA SER A 58 10.207 14.986 2.661 1.00 0.30 C ATOM 834 C SER A 58 9.987 13.621 2.047 1.00 0.27 C ATOM 835 O SER A 58 10.371 12.610 2.629 1.00 0.38 O ATOM 836 CB SER A 58 11.641 15.464 2.407 1.00 0.38 C ATOM 837 OG SER A 58 11.898 15.595 1.019 1.00 1.28 O ATOM 0 H SER A 58 10.093 13.952 4.459 1.00 0.28 H new ATOM 0 HA SER A 58 9.536 15.716 2.209 1.00 0.30 H new ATOM 0 HB2 SER A 58 11.801 16.422 2.901 1.00 0.38 H new ATOM 0 HB3 SER A 58 12.346 14.758 2.845 1.00 0.38 H new ATOM 0 HG SER A 58 12.819 15.903 0.884 1.00 1.28 H new ATOM 843 N ARG A 59 9.349 13.586 0.902 1.00 0.32 N ATOM 844 CA ARG A 59 9.091 12.334 0.226 1.00 0.30 C ATOM 845 C ARG A 59 10.218 12.013 -0.749 1.00 0.27 C ATOM 846 O ARG A 59 10.395 12.708 -1.754 1.00 0.34 O ATOM 847 CB ARG A 59 7.740 12.399 -0.478 1.00 0.42 C ATOM 848 CG ARG A 59 6.601 11.895 0.390 1.00 0.64 C ATOM 849 CD ARG A 59 5.245 12.139 -0.248 1.00 0.68 C ATOM 850 NE ARG A 59 4.765 13.496 0.003 1.00 1.41 N ATOM 851 CZ ARG A 59 3.741 14.057 -0.631 1.00 1.81 C ATOM 852 NH1 ARG A 59 3.112 13.403 -1.599 1.00 1.78 N ATOM 853 NH2 ARG A 59 3.351 15.280 -0.296 1.00 2.81 N ATOM 0 H ARG A 59 8.998 14.411 0.417 1.00 0.32 H new ATOM 0 HA ARG A 59 9.054 11.528 0.958 1.00 0.30 H new ATOM 0 HB2 ARG A 59 7.538 13.429 -0.773 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.783 11.808 -1.393 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.729 10.828 0.571 1.00 0.64 H new ATOM 0 HG3 ARG A 59 6.639 12.390 1.360 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.313 11.970 -1.323 1.00 0.68 H new ATOM 0 HD3 ARG A 59 4.525 11.420 0.143 1.00 0.68 H new ATOM 0 HE ARG A 59 5.248 14.049 0.711 1.00 1.41 H new ATOM 0 HH11 ARG A 59 3.414 12.464 -1.860 1.00 1.78 H new ATOM 0 HH12 ARG A 59 2.326 13.839 -2.082 1.00 1.78 H new ATOM 0 HH21 ARG A 59 3.837 15.785 0.445 1.00 2.81 H new ATOM 0 HH22 ARG A 59 2.565 15.715 -0.780 1.00 2.81 H new ATOM 867 N PRO A 60 11.017 10.974 -0.433 1.00 0.23 N ATOM 868 CA PRO A 60 12.170 10.560 -1.250 1.00 0.26 C ATOM 869 C PRO A 60 11.802 10.310 -2.706 1.00 0.26 C ATOM 870 O PRO A 60 10.687 9.879 -3.010 1.00 0.28 O ATOM 871 CB PRO A 60 12.623 9.245 -0.601 1.00 0.30 C ATOM 872 CG PRO A 60 11.487 8.831 0.273 1.00 0.28 C ATOM 873 CD PRO A 60 10.866 10.107 0.749 1.00 0.21 C ATOM 0 HA PRO A 60 12.935 11.336 -1.272 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.837 8.487 -1.354 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.535 9.385 -0.021 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.767 8.226 -0.278 1.00 0.28 H new ATOM 0 HG3 PRO A 60 11.836 8.227 1.111 1.00 0.28 H new ATOM 0 HD2 PRO A 60 9.821 9.974 1.028 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.380 10.511 1.621 1.00 0.21 H new ATOM 881 N VAL A 61 12.747 10.557 -3.604 1.00 0.29 N ATOM 882 CA VAL A 61 12.495 10.346 -5.018 1.00 0.31 C ATOM 883 C VAL A 61 13.162 9.054 -5.457 1.00 0.28 C ATOM 884 O VAL A 61 14.091 8.569 -4.807 1.00 0.27 O ATOM 885 CB VAL A 61 13.001 11.517 -5.899 1.00 0.40 C ATOM 886 CG1 VAL A 61 12.701 12.855 -5.244 1.00 0.81 C ATOM 887 CG2 VAL A 61 14.486 11.383 -6.213 1.00 0.88 C ATOM 0 H VAL A 61 13.682 10.899 -3.380 1.00 0.29 H new ATOM 0 HA VAL A 61 11.415 10.288 -5.152 1.00 0.31 H new ATOM 0 HB VAL A 61 12.463 11.473 -6.846 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.065 13.661 -5.880 1.00 0.81 H new ATOM 0 HG12 VAL A 61 11.625 12.959 -5.106 1.00 0.81 H new ATOM 0 HG13 VAL A 61 13.198 12.905 -4.275 1.00 0.81 H new ATOM 0 HG21 VAL A 61 14.804 12.222 -6.832 1.00 0.88 H new ATOM 0 HG22 VAL A 61 15.056 11.381 -5.284 1.00 0.88 H new ATOM 0 HG23 VAL A 61 14.662 10.450 -6.748 1.00 0.88 H new ATOM 897 N LYS A 62 12.682 8.490 -6.542 1.00 0.27 N ATOM 898 CA LYS A 62 13.267 7.288 -7.092 1.00 0.27 C ATOM 899 C LYS A 62 14.697 7.564 -7.523 1.00 0.25 C ATOM 900 O LYS A 62 14.955 8.420 -8.370 1.00 0.31 O ATOM 901 CB LYS A 62 12.445 6.797 -8.271 1.00 0.30 C ATOM 902 CG LYS A 62 11.100 6.216 -7.881 1.00 0.37 C ATOM 903 CD LYS A 62 10.275 5.947 -9.117 1.00 0.41 C ATOM 904 CE LYS A 62 8.927 5.324 -8.786 1.00 0.60 C ATOM 905 NZ LYS A 62 8.015 6.288 -8.118 1.00 1.17 N ATOM 0 H LYS A 62 11.882 8.847 -7.064 1.00 0.27 H new ATOM 0 HA LYS A 62 13.272 6.511 -6.327 1.00 0.27 H new ATOM 0 HB2 LYS A 62 12.286 7.626 -8.961 1.00 0.30 H new ATOM 0 HB3 LYS A 62 13.015 6.040 -8.809 1.00 0.30 H new ATOM 0 HG2 LYS A 62 11.243 5.292 -7.321 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.572 6.908 -7.225 1.00 0.37 H new ATOM 0 HD2 LYS A 62 10.119 6.881 -9.657 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.827 5.282 -9.782 1.00 0.41 H new ATOM 0 HE2 LYS A 62 8.461 4.960 -9.702 1.00 0.60 H new ATOM 0 HE3 LYS A 62 9.077 4.459 -8.139 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 7.363 5.773 -7.493 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 8.573 6.962 -7.556 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 7.470 6.805 -8.837 1.00 1.17 H new ATOM 919 N GLY A 63 15.616 6.841 -6.926 1.00 0.25 N ATOM 920 CA GLY A 63 17.017 7.093 -7.139 1.00 0.27 C ATOM 921 C GLY A 63 17.732 7.226 -5.827 1.00 0.30 C ATOM 922 O GLY A 63 18.925 6.964 -5.728 1.00 0.42 O ATOM 0 H GLY A 63 15.415 6.072 -6.287 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.455 6.280 -7.718 1.00 0.27 H new ATOM 0 HA3 GLY A 63 17.144 8.004 -7.723 1.00 0.27 H new ATOM 926 N GLN A 64 16.997 7.641 -4.808 1.00 0.26 N ATOM 927 CA GLN A 64 17.551 7.695 -3.469 1.00 0.28 C ATOM 928 C GLN A 64 17.428 6.315 -2.859 1.00 0.24 C ATOM 929 O GLN A 64 16.344 5.731 -2.869 1.00 0.24 O ATOM 930 CB GLN A 64 16.808 8.708 -2.584 1.00 0.30 C ATOM 931 CG GLN A 64 16.309 9.941 -3.323 1.00 0.36 C ATOM 932 CD GLN A 64 17.410 10.806 -3.883 1.00 0.44 C ATOM 933 OE1 GLN A 64 17.804 11.790 -3.263 1.00 0.59 O ATOM 934 NE2 GLN A 64 17.922 10.437 -5.046 1.00 0.43 N ATOM 0 H GLN A 64 16.025 7.942 -4.883 1.00 0.26 H new ATOM 0 HA GLN A 64 18.592 8.013 -3.530 1.00 0.28 H new ATOM 0 HB2 GLN A 64 15.958 8.210 -2.118 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.472 9.025 -1.780 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.658 9.625 -4.138 1.00 0.36 H new ATOM 0 HG3 GLN A 64 15.701 10.538 -2.643 1.00 0.36 H new ATOM 0 HE21 GLN A 64 17.561 9.611 -5.523 1.00 0.43 H new ATOM 0 HE22 GLN A 64 18.678 10.978 -5.465 1.00 0.43 H new ATOM 943 N VAL A 65 18.518 5.771 -2.359 1.00 0.28 N ATOM 944 CA VAL A 65 18.431 4.510 -1.670 1.00 0.31 C ATOM 945 C VAL A 65 17.944 4.775 -0.257 1.00 0.25 C ATOM 946 O VAL A 65 18.466 5.634 0.458 1.00 0.32 O ATOM 947 CB VAL A 65 19.751 3.696 -1.686 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.343 3.675 -3.086 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.758 4.204 -0.668 1.00 1.05 C ATOM 0 H VAL A 65 19.453 6.175 -2.416 1.00 0.28 H new ATOM 0 HA VAL A 65 17.720 3.877 -2.202 1.00 0.31 H new ATOM 0 HB VAL A 65 19.508 2.674 -1.395 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.269 3.100 -3.081 1.00 1.22 H new ATOM 0 HG12 VAL A 65 19.634 3.215 -3.774 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.551 4.695 -3.408 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.664 3.600 -0.720 1.00 1.05 H new ATOM 0 HG22 VAL A 65 21.002 5.244 -0.885 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.331 4.133 0.333 1.00 1.05 H new ATOM 959 N VAL A 66 16.900 4.082 0.107 1.00 0.19 N ATOM 960 CA VAL A 66 16.197 4.342 1.342 1.00 0.15 C ATOM 961 C VAL A 66 16.177 3.107 2.210 1.00 0.16 C ATOM 962 O VAL A 66 16.139 1.985 1.706 1.00 0.21 O ATOM 963 CB VAL A 66 14.751 4.807 1.063 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.735 6.181 0.415 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.029 3.821 0.161 1.00 0.25 C ATOM 0 H VAL A 66 16.508 3.318 -0.443 1.00 0.19 H new ATOM 0 HA VAL A 66 16.725 5.137 1.868 1.00 0.15 H new ATOM 0 HB VAL A 66 14.236 4.859 2.022 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.704 6.484 0.230 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.211 6.902 1.079 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.278 6.144 -0.529 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.013 4.171 -0.021 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.560 3.740 -0.788 1.00 0.25 H new ATOM 0 HG23 VAL A 66 13.996 2.844 0.643 1.00 0.25 H new ATOM 975 N THR A 67 16.234 3.317 3.510 1.00 0.13 N ATOM 976 CA THR A 67 16.176 2.226 4.449 1.00 0.15 C ATOM 977 C THR A 67 14.761 2.062 4.956 1.00 0.16 C ATOM 978 O THR A 67 14.222 2.934 5.648 1.00 0.21 O ATOM 979 CB THR A 67 17.117 2.446 5.646 1.00 0.20 C ATOM 980 OG1 THR A 67 16.821 3.688 6.292 1.00 0.29 O ATOM 981 CG2 THR A 67 18.571 2.437 5.210 1.00 0.27 C ATOM 0 H THR A 67 16.321 4.239 3.937 1.00 0.13 H new ATOM 0 HA THR A 67 16.499 1.326 3.925 1.00 0.15 H new ATOM 0 HB THR A 67 16.958 1.626 6.346 1.00 0.20 H new ATOM 0 HG1 THR A 67 15.865 3.885 6.200 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.212 2.595 6.077 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.808 1.476 4.754 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.738 3.234 4.485 1.00 0.27 H new ATOM 989 N VAL A 68 14.143 0.960 4.602 1.00 0.15 N ATOM 990 CA VAL A 68 12.831 0.665 5.121 1.00 0.15 C ATOM 991 C VAL A 68 12.884 -0.509 6.071 1.00 0.15 C ATOM 992 O VAL A 68 13.671 -1.428 5.895 1.00 0.17 O ATOM 993 CB VAL A 68 11.797 0.366 4.017 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.492 1.622 3.223 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.291 -0.740 3.096 1.00 0.19 C ATOM 0 H VAL A 68 14.523 0.261 3.964 1.00 0.15 H new ATOM 0 HA VAL A 68 12.509 1.564 5.646 1.00 0.15 H new ATOM 0 HB VAL A 68 10.878 0.025 4.494 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.761 1.394 2.448 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.089 2.385 3.889 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.407 1.991 2.761 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.544 -0.933 2.326 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.225 -0.432 2.627 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.458 -1.648 3.675 1.00 0.19 H new ATOM 1005 N HIS A 69 12.060 -0.475 7.082 1.00 0.14 N ATOM 1006 CA HIS A 69 11.868 -1.638 7.908 1.00 0.15 C ATOM 1007 C HIS A 69 10.570 -2.263 7.491 1.00 0.14 C ATOM 1008 O HIS A 69 9.521 -1.662 7.666 1.00 0.15 O ATOM 1009 CB HIS A 69 11.809 -1.304 9.407 1.00 0.15 C ATOM 1010 CG HIS A 69 11.594 -2.527 10.267 1.00 0.15 C ATOM 1011 ND1 HIS A 69 11.949 -2.610 11.590 1.00 0.19 N ATOM 1012 CD2 HIS A 69 11.095 -3.745 9.951 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.679 -3.828 12.031 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.170 -4.530 11.056 1.00 0.18 N ATOM 0 H HIS A 69 11.512 0.341 7.354 1.00 0.14 H new ATOM 0 HA HIS A 69 12.717 -2.308 7.772 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.737 -0.815 9.703 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.003 -0.593 9.585 1.00 0.15 H new ATOM 0 HD2 HIS A 69 10.705 -4.041 8.988 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.852 -4.184 13.036 1.00 0.18 H new ATOM 0 HE2 HIS A 69 10.877 -5.505 11.114 1.00 0.18 H new ATOM 1023 N LEU A 70 10.636 -3.458 6.948 1.00 0.15 N ATOM 1024 CA LEU A 70 9.421 -4.141 6.599 1.00 0.16 C ATOM 1025 C LEU A 70 9.321 -5.467 7.320 1.00 0.15 C ATOM 1026 O LEU A 70 10.279 -6.228 7.427 1.00 0.21 O ATOM 1027 CB LEU A 70 9.259 -4.332 5.087 1.00 0.21 C ATOM 1028 CG LEU A 70 9.696 -5.683 4.528 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.144 -5.877 3.123 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.209 -5.800 4.511 1.00 0.38 C ATOM 0 H LEU A 70 11.498 -3.963 6.744 1.00 0.15 H new ATOM 0 HA LEU A 70 8.601 -3.501 6.924 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.210 -4.179 4.833 1.00 0.21 H new ATOM 0 HB3 LEU A 70 9.827 -3.552 4.580 1.00 0.21 H new ATOM 0 HG LEU A 70 9.298 -6.462 5.178 1.00 0.31 H new ATOM 0 HD11 LEU A 70 9.464 -6.845 2.737 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.055 -5.839 3.152 1.00 0.39 H new ATOM 0 HD13 LEU A 70 9.517 -5.086 2.473 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.494 -6.772 4.108 1.00 0.38 H new ATOM 0 HD22 LEU A 70 11.628 -5.011 3.886 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.593 -5.701 5.526 1.00 0.38 H new ATOM 1042 N GLN A 71 8.160 -5.685 7.865 1.00 0.13 N ATOM 1043 CA GLN A 71 7.774 -6.972 8.392 1.00 0.14 C ATOM 1044 C GLN A 71 6.452 -7.272 7.773 1.00 0.14 C ATOM 1045 O GLN A 71 5.465 -6.575 8.012 1.00 0.14 O ATOM 1046 CB GLN A 71 7.628 -6.975 9.907 1.00 0.15 C ATOM 1047 CG GLN A 71 8.516 -5.984 10.627 1.00 0.15 C ATOM 1048 CD GLN A 71 7.850 -4.643 10.839 1.00 0.16 C ATOM 1049 OE1 GLN A 71 6.876 -4.326 10.008 1.00 0.27 O flip ATOM 1050 NE2 GLN A 71 8.183 -3.913 11.770 1.00 0.18 N flip ATOM 0 H GLN A 71 7.441 -4.968 7.960 1.00 0.13 H new ATOM 0 HA GLN A 71 8.542 -7.711 8.161 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.589 -6.762 10.159 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.847 -7.976 10.278 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.804 -6.398 11.593 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.433 -5.842 10.054 1.00 0.15 H new ATOM 0 HE21 GLN A 71 8.942 -4.193 12.392 1.00 0.18 H new ATOM 0 HE22 GLN A 71 7.701 -3.027 11.921 1.00 0.18 H new ATOM 1059 N THR A 72 6.447 -8.271 6.959 1.00 0.15 N ATOM 1060 CA THR A 72 5.336 -8.521 6.109 1.00 0.16 C ATOM 1061 C THR A 72 4.500 -9.682 6.606 1.00 0.16 C ATOM 1062 O THR A 72 5.013 -10.772 6.854 1.00 0.17 O ATOM 1063 CB THR A 72 5.852 -8.805 4.711 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.699 -7.733 4.278 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.715 -8.986 3.745 1.00 0.19 C ATOM 0 H THR A 72 7.213 -8.937 6.864 1.00 0.15 H new ATOM 0 HA THR A 72 4.692 -7.642 6.104 1.00 0.16 H new ATOM 0 HB THR A 72 6.427 -9.731 4.738 1.00 0.17 H new ATOM 0 HG1 THR A 72 7.031 -7.922 3.376 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.112 -9.188 2.750 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.095 -9.823 4.066 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.113 -8.078 3.718 1.00 0.19 H new ATOM 1073 N SER A 73 3.215 -9.434 6.736 1.00 0.17 N ATOM 1074 CA SER A 73 2.278 -10.433 7.164 1.00 0.17 C ATOM 1075 C SER A 73 1.505 -10.938 5.968 1.00 0.15 C ATOM 1076 O SER A 73 1.481 -10.312 4.906 1.00 0.26 O ATOM 1077 CB SER A 73 1.283 -9.846 8.173 1.00 0.23 C ATOM 1078 OG SER A 73 1.930 -9.102 9.189 1.00 1.06 O ATOM 0 H SER A 73 2.794 -8.525 6.545 1.00 0.17 H new ATOM 0 HA SER A 73 2.831 -11.245 7.635 1.00 0.17 H new ATOM 0 HB2 SER A 73 0.574 -9.204 7.650 1.00 0.23 H new ATOM 0 HB3 SER A 73 0.708 -10.654 8.626 1.00 0.23 H new ATOM 0 HG SER A 73 1.261 -8.744 9.809 1.00 1.06 H new ATOM 1084 N LEU A 74 0.898 -12.077 6.152 1.00 0.19 N ATOM 1085 CA LEU A 74 0.025 -12.653 5.167 1.00 0.18 C ATOM 1086 C LEU A 74 -1.373 -12.106 5.336 1.00 0.19 C ATOM 1087 O LEU A 74 -1.674 -11.480 6.350 1.00 0.21 O ATOM 1088 CB LEU A 74 0.026 -14.172 5.315 1.00 0.22 C ATOM 1089 CG LEU A 74 1.310 -14.845 4.854 1.00 0.38 C ATOM 1090 CD1 LEU A 74 1.094 -16.333 4.613 1.00 0.84 C ATOM 1091 CD2 LEU A 74 1.827 -14.143 3.613 1.00 0.72 C ATOM 0 H LEU A 74 0.996 -12.638 6.999 1.00 0.19 H new ATOM 0 HA LEU A 74 0.379 -12.394 4.169 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.147 -14.423 6.361 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.809 -14.581 4.747 1.00 0.22 H new ATOM 0 HG LEU A 74 2.062 -14.761 5.639 1.00 0.38 H new ATOM 0 HD11 LEU A 74 2.029 -16.788 4.284 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.765 -16.807 5.538 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.334 -16.470 3.844 1.00 0.84 H new ATOM 0 HD21 LEU A 74 2.747 -14.623 3.280 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.079 -14.204 2.822 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.027 -13.096 3.843 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.216 -12.321 4.339 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.619 -11.952 4.441 1.00 0.26 C ATOM 1105 C GLU A 75 -4.262 -12.636 5.653 1.00 0.32 C ATOM 1106 O GLU A 75 -5.275 -12.177 6.181 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.362 -12.326 3.158 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.177 -13.774 2.739 1.00 0.34 C ATOM 1109 CD GLU A 75 -4.931 -14.102 1.470 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.428 -13.779 0.373 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -6.030 -14.693 1.558 1.00 1.14 O ATOM 0 H GLU A 75 -1.954 -12.749 3.451 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.687 -10.873 4.577 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.426 -12.131 3.296 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -4.021 -11.678 2.350 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -3.116 -13.975 2.591 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.517 -14.429 3.541 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.646 -13.728 6.099 1.00 0.34 N ATOM 1119 CA ASN A 76 -4.113 -14.454 7.271 1.00 0.41 C ATOM 1120 C ASN A 76 -3.435 -13.947 8.545 1.00 0.39 C ATOM 1121 O ASN A 76 -3.755 -14.394 9.643 1.00 0.51 O ATOM 1122 CB ASN A 76 -3.858 -15.952 7.108 1.00 0.50 C ATOM 1123 CG ASN A 76 -2.418 -16.270 6.783 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -1.559 -16.293 7.660 1.00 2.14 O ATOM 1125 ND2 ASN A 76 -2.152 -16.561 5.519 1.00 1.13 N ATOM 0 H ASN A 76 -2.817 -14.129 5.661 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.185 -14.281 7.362 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -4.140 -16.466 8.027 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -4.498 -16.341 6.316 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -1.204 -16.816 5.243 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.895 -16.530 4.821 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.490 -13.024 8.393 1.00 0.30 N ATOM 1133 CA GLY A 77 -1.855 -12.413 9.553 1.00 0.32 C ATOM 1134 C GLY A 77 -0.428 -12.885 9.784 1.00 0.32 C ATOM 1135 O GLY A 77 0.364 -12.182 10.412 1.00 0.51 O ATOM 0 H GLY A 77 -2.152 -12.687 7.492 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.855 -11.330 9.429 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.450 -12.632 10.440 1.00 0.32 H new ATOM 1139 N THR A 78 -0.095 -14.061 9.269 1.00 0.28 N ATOM 1140 CA THR A 78 1.214 -14.659 9.514 1.00 0.28 C ATOM 1141 C THR A 78 2.341 -13.886 8.839 1.00 0.23 C ATOM 1142 O THR A 78 2.377 -13.759 7.620 1.00 0.21 O ATOM 1143 CB THR A 78 1.247 -16.137 9.076 1.00 0.34 C ATOM 1144 OG1 THR A 78 0.263 -16.869 9.820 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.621 -16.751 9.306 1.00 0.39 C ATOM 0 H THR A 78 -0.711 -14.621 8.679 1.00 0.28 H new ATOM 0 HA THR A 78 1.377 -14.609 10.590 1.00 0.28 H new ATOM 0 HB THR A 78 1.029 -16.187 8.009 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.583 -16.877 9.325 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.612 -17.793 8.987 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.366 -16.202 8.730 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.870 -16.698 10.366 1.00 0.39 H new ATOM 1153 N ARG A 79 3.256 -13.361 9.647 1.00 0.24 N ATOM 1154 CA ARG A 79 4.399 -12.629 9.125 1.00 0.22 C ATOM 1155 C ARG A 79 5.438 -13.571 8.562 1.00 0.24 C ATOM 1156 O ARG A 79 5.918 -14.482 9.235 1.00 0.33 O ATOM 1157 CB ARG A 79 4.996 -11.716 10.179 1.00 0.25 C ATOM 1158 CG ARG A 79 4.089 -10.541 10.460 1.00 0.25 C ATOM 1159 CD ARG A 79 4.862 -9.301 10.870 1.00 0.28 C ATOM 1160 NE ARG A 79 4.055 -8.085 10.720 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.290 -6.939 11.366 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.285 -6.865 12.235 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.531 -5.870 11.137 1.00 0.47 N ATOM 0 H ARG A 79 3.226 -13.430 10.664 1.00 0.24 H new ATOM 0 HA ARG A 79 4.045 -12.000 8.308 1.00 0.22 H new ATOM 0 HB2 ARG A 79 5.163 -12.278 11.098 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.969 -11.356 9.844 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.498 -10.320 9.571 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.388 -10.807 11.251 1.00 0.25 H new ATOM 0 HD2 ARG A 79 5.184 -9.399 11.907 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.764 -9.217 10.263 1.00 0.28 H new ATOM 0 HE ARG A 79 3.262 -8.116 10.080 1.00 0.33 H new ATOM 0 HH11 ARG A 79 5.871 -7.681 12.411 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.466 -5.991 12.729 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.765 -5.923 10.465 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.715 -4.998 11.633 1.00 0.47 H new ATOM 1177 N VAL A 80 5.777 -13.318 7.314 1.00 0.20 N ATOM 1178 CA VAL A 80 6.593 -14.217 6.524 1.00 0.22 C ATOM 1179 C VAL A 80 8.004 -13.680 6.330 1.00 0.21 C ATOM 1180 O VAL A 80 8.881 -14.374 5.819 1.00 0.27 O ATOM 1181 CB VAL A 80 5.944 -14.447 5.150 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.637 -15.197 5.312 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.726 -13.124 4.420 1.00 0.22 C ATOM 0 H VAL A 80 5.491 -12.475 6.816 1.00 0.20 H new ATOM 0 HA VAL A 80 6.660 -15.159 7.068 1.00 0.22 H new ATOM 0 HB VAL A 80 6.619 -15.051 4.544 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.185 -15.355 4.333 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.827 -16.161 5.784 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.958 -14.615 5.936 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.266 -13.315 3.451 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.072 -12.485 5.013 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.685 -12.626 4.275 1.00 0.22 H new ATOM 1193 N GLN A 81 8.207 -12.437 6.730 1.00 0.18 N ATOM 1194 CA GLN A 81 9.495 -11.783 6.578 1.00 0.19 C ATOM 1195 C GLN A 81 9.570 -10.596 7.515 1.00 0.19 C ATOM 1196 O GLN A 81 8.554 -9.946 7.781 1.00 0.26 O ATOM 1197 CB GLN A 81 9.709 -11.346 5.124 1.00 0.23 C ATOM 1198 CG GLN A 81 8.595 -10.471 4.579 1.00 0.23 C ATOM 1199 CD GLN A 81 8.666 -10.304 3.079 1.00 0.37 C ATOM 1200 OE1 GLN A 81 8.021 -11.205 2.365 1.00 0.59 O flip ATOM 1201 NE2 GLN A 81 9.288 -9.379 2.564 1.00 0.50 N flip ATOM 0 H GLN A 81 7.490 -11.857 7.166 1.00 0.18 H new ATOM 0 HA GLN A 81 10.288 -12.486 6.833 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.652 -10.805 5.052 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.802 -12.233 4.497 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.632 -10.907 4.847 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.644 -9.490 5.052 1.00 0.23 H new ATOM 0 HE21 GLN A 81 9.774 -8.702 3.152 1.00 0.50 H new ATOM 0 HE22 GLN A 81 9.318 -9.288 1.549 1.00 0.50 H new ATOM 1210 N GLU A 82 10.756 -10.329 8.027 1.00 0.24 N ATOM 1211 CA GLU A 82 10.952 -9.243 8.973 1.00 0.24 C ATOM 1212 C GLU A 82 12.367 -8.704 8.835 1.00 0.25 C ATOM 1213 O GLU A 82 13.330 -9.343 9.261 1.00 0.41 O ATOM 1214 CB GLU A 82 10.689 -9.747 10.401 1.00 0.35 C ATOM 1215 CG GLU A 82 10.480 -8.649 11.432 1.00 0.44 C ATOM 1216 CD GLU A 82 11.763 -8.010 11.913 1.00 0.82 C ATOM 1217 OE1 GLU A 82 12.431 -8.593 12.790 1.00 1.21 O ATOM 1218 OE2 GLU A 82 12.089 -6.906 11.439 1.00 1.34 O ATOM 0 H GLU A 82 11.603 -10.851 7.803 1.00 0.24 H new ATOM 0 HA GLU A 82 10.251 -8.435 8.763 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.808 -10.388 10.389 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.530 -10.366 10.714 1.00 0.35 H new ATOM 0 HG2 GLU A 82 9.840 -7.878 11.003 1.00 0.44 H new ATOM 0 HG3 GLU A 82 9.949 -9.064 12.288 1.00 0.44 H new ATOM 1225 N GLU A 83 12.484 -7.536 8.226 1.00 0.22 N ATOM 1226 CA GLU A 83 13.781 -6.940 7.977 1.00 0.26 C ATOM 1227 C GLU A 83 13.828 -5.535 8.552 1.00 0.23 C ATOM 1228 O GLU A 83 13.168 -4.623 8.046 1.00 0.24 O ATOM 1229 CB GLU A 83 14.086 -6.887 6.470 1.00 0.39 C ATOM 1230 CG GLU A 83 13.514 -8.045 5.651 1.00 1.20 C ATOM 1231 CD GLU A 83 14.186 -9.378 5.926 1.00 1.73 C ATOM 1232 OE1 GLU A 83 15.423 -9.460 5.778 1.00 1.69 O ATOM 1233 OE2 GLU A 83 13.480 -10.359 6.256 1.00 2.59 O ATOM 0 H GLU A 83 11.694 -6.983 7.895 1.00 0.22 H new ATOM 0 HA GLU A 83 14.534 -7.560 8.463 1.00 0.26 H new ATOM 0 HB2 GLU A 83 13.696 -5.951 6.069 1.00 0.39 H new ATOM 0 HB3 GLU A 83 15.167 -6.866 6.334 1.00 0.39 H new ATOM 0 HG2 GLU A 83 12.448 -8.135 5.861 1.00 1.20 H new ATOM 0 HG3 GLU A 83 13.611 -7.811 4.591 1.00 1.20 H new ATOM 1240 N PRO A 84 14.626 -5.337 9.611 1.00 0.23 N ATOM 1241 CA PRO A 84 14.741 -4.048 10.297 1.00 0.21 C ATOM 1242 C PRO A 84 15.305 -2.943 9.409 1.00 0.19 C ATOM 1243 O PRO A 84 15.162 -1.758 9.717 1.00 0.20 O ATOM 1244 CB PRO A 84 15.697 -4.334 11.462 1.00 0.25 C ATOM 1245 CG PRO A 84 15.710 -5.816 11.610 1.00 0.50 C ATOM 1246 CD PRO A 84 15.468 -6.369 10.238 1.00 0.31 C ATOM 0 HA PRO A 84 13.763 -3.682 10.608 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.696 -3.952 11.253 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.356 -3.851 12.378 1.00 0.25 H new ATOM 0 HG2 PRO A 84 16.665 -6.160 12.007 1.00 0.50 H new ATOM 0 HG3 PRO A 84 14.938 -6.146 12.306 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.400 -6.517 9.692 1.00 0.31 H new ATOM 0 HD3 PRO A 84 14.963 -7.335 10.275 1.00 0.31 H new ATOM 1254 N GLU A 85 15.922 -3.325 8.300 1.00 0.20 N ATOM 1255 CA GLU A 85 16.540 -2.351 7.421 1.00 0.22 C ATOM 1256 C GLU A 85 16.846 -2.940 6.061 1.00 0.24 C ATOM 1257 O GLU A 85 17.811 -3.676 5.866 1.00 0.35 O ATOM 1258 CB GLU A 85 17.795 -1.758 8.063 1.00 0.31 C ATOM 1259 CG GLU A 85 18.349 -0.568 7.310 1.00 0.34 C ATOM 1260 CD GLU A 85 19.121 0.370 8.208 1.00 0.90 C ATOM 1261 OE1 GLU A 85 18.491 1.097 9.006 1.00 1.37 O ATOM 1262 OE2 GLU A 85 20.368 0.377 8.123 1.00 1.30 O ATOM 0 H GLU A 85 16.006 -4.294 7.992 1.00 0.20 H new ATOM 0 HA GLU A 85 15.824 -1.543 7.268 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.564 -1.457 9.085 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.562 -2.530 8.124 1.00 0.31 H new ATOM 0 HG2 GLU A 85 19.000 -0.919 6.509 1.00 0.34 H new ATOM 0 HG3 GLU A 85 17.529 -0.025 6.840 1.00 0.34 H new ATOM 1269 N LEU A 86 15.968 -2.617 5.146 1.00 0.23 N ATOM 1270 CA LEU A 86 16.110 -2.940 3.755 1.00 0.24 C ATOM 1271 C LEU A 86 16.396 -1.663 2.980 1.00 0.23 C ATOM 1272 O LEU A 86 15.535 -0.793 2.871 1.00 0.25 O ATOM 1273 CB LEU A 86 14.816 -3.584 3.253 1.00 0.26 C ATOM 1274 CG LEU A 86 14.735 -3.798 1.745 1.00 0.33 C ATOM 1275 CD1 LEU A 86 15.790 -4.795 1.282 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.342 -4.266 1.345 1.00 0.38 C ATOM 0 H LEU A 86 15.110 -2.107 5.358 1.00 0.23 H new ATOM 0 HA LEU A 86 16.933 -3.640 3.612 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.694 -4.548 3.747 1.00 0.26 H new ATOM 0 HB3 LEU A 86 13.977 -2.960 3.560 1.00 0.26 H new ATOM 0 HG LEU A 86 14.931 -2.844 1.255 1.00 0.33 H new ATOM 0 HD11 LEU A 86 15.713 -4.932 0.203 1.00 0.38 H new ATOM 0 HD12 LEU A 86 16.782 -4.417 1.530 1.00 0.38 H new ATOM 0 HD13 LEU A 86 15.631 -5.751 1.781 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.304 -4.413 0.266 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.116 -5.206 1.848 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.608 -3.514 1.635 1.00 0.38 H new ATOM 1288 N VAL A 87 17.605 -1.534 2.477 1.00 0.24 N ATOM 1289 CA VAL A 87 17.965 -0.367 1.698 1.00 0.22 C ATOM 1290 C VAL A 87 17.956 -0.728 0.219 1.00 0.21 C ATOM 1291 O VAL A 87 18.462 -1.780 -0.173 1.00 0.28 O ATOM 1292 CB VAL A 87 19.343 0.201 2.112 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.472 -0.757 1.766 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.576 1.561 1.473 1.00 0.94 C ATOM 0 H VAL A 87 18.352 -2.218 2.592 1.00 0.24 H new ATOM 0 HA VAL A 87 17.229 0.414 1.890 1.00 0.22 H new ATOM 0 HB VAL A 87 19.337 0.323 3.195 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.424 -0.323 2.072 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.320 -1.702 2.287 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.483 -0.933 0.690 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.550 1.943 1.777 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.547 1.463 0.388 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.798 2.253 1.796 1.00 0.94 H new ATOM 1304 N PHE A 88 17.347 0.117 -0.594 1.00 0.17 N ATOM 1305 CA PHE A 88 17.235 -0.155 -2.022 1.00 0.19 C ATOM 1306 C PHE A 88 17.122 1.139 -2.805 1.00 0.20 C ATOM 1307 O PHE A 88 16.722 2.173 -2.260 1.00 0.23 O ATOM 1308 CB PHE A 88 16.016 -1.029 -2.305 1.00 0.21 C ATOM 1309 CG PHE A 88 14.709 -0.371 -1.971 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.276 -0.292 -0.656 1.00 0.19 C ATOM 1311 CD2 PHE A 88 13.913 0.174 -2.968 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.081 0.316 -0.342 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.719 0.786 -2.657 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.286 0.837 -1.370 1.00 0.15 C ATOM 0 H PHE A 88 16.923 0.995 -0.294 1.00 0.17 H new ATOM 0 HA PHE A 88 18.135 -0.683 -2.336 1.00 0.19 H new ATOM 0 HB2 PHE A 88 16.015 -1.304 -3.360 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.103 -1.954 -1.734 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.884 -0.713 0.132 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.233 0.118 -3.998 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.760 0.390 0.687 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.123 1.228 -3.441 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.328 1.280 -1.140 1.00 0.15 H new ATOM 1324 N THR A 89 17.477 1.073 -4.074 1.00 0.23 N ATOM 1325 CA THR A 89 17.337 2.201 -4.967 1.00 0.25 C ATOM 1326 C THR A 89 15.871 2.355 -5.375 1.00 0.21 C ATOM 1327 O THR A 89 15.317 1.497 -6.065 1.00 0.22 O ATOM 1328 CB THR A 89 18.211 2.010 -6.221 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.516 1.550 -5.835 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.341 3.312 -6.993 1.00 0.37 C ATOM 0 H THR A 89 17.869 0.239 -4.511 1.00 0.23 H new ATOM 0 HA THR A 89 17.667 3.101 -4.448 1.00 0.25 H new ATOM 0 HB THR A 89 17.734 1.271 -6.864 1.00 0.33 H new ATOM 0 HG1 THR A 89 20.069 1.428 -6.634 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.962 3.152 -7.874 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.353 3.652 -7.303 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.801 4.068 -6.357 1.00 0.37 H new ATOM 1338 N LEU A 90 15.235 3.419 -4.898 1.00 0.19 N ATOM 1339 CA LEU A 90 13.838 3.694 -5.228 1.00 0.16 C ATOM 1340 C LEU A 90 13.636 3.742 -6.740 1.00 0.15 C ATOM 1341 O LEU A 90 14.388 4.409 -7.448 1.00 0.18 O ATOM 1342 CB LEU A 90 13.412 5.029 -4.609 1.00 0.16 C ATOM 1343 CG LEU A 90 11.907 5.269 -4.551 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.221 4.100 -3.872 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.613 6.561 -3.809 1.00 0.60 C ATOM 0 H LEU A 90 15.664 4.108 -4.280 1.00 0.19 H new ATOM 0 HA LEU A 90 13.224 2.890 -4.822 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.812 5.085 -3.596 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.871 5.838 -5.178 1.00 0.16 H new ATOM 0 HG LEU A 90 11.522 5.357 -5.567 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.147 4.280 -3.835 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.417 3.187 -4.434 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.606 3.991 -2.858 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.536 6.723 -3.773 1.00 0.60 H new ATOM 0 HD22 LEU A 90 12.004 6.494 -2.794 1.00 0.60 H new ATOM 0 HD23 LEU A 90 12.088 7.394 -4.327 1.00 0.60 H new ATOM 1357 N GLY A 91 12.648 3.012 -7.234 1.00 0.20 N ATOM 1358 CA GLY A 91 12.323 3.056 -8.648 1.00 0.23 C ATOM 1359 C GLY A 91 13.204 2.144 -9.469 1.00 0.26 C ATOM 1360 O GLY A 91 13.085 2.088 -10.695 1.00 0.37 O ATOM 0 H GLY A 91 12.062 2.387 -6.680 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.280 2.772 -8.788 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.426 4.079 -9.010 1.00 0.23 H new ATOM 1364 N ASP A 92 14.090 1.426 -8.795 1.00 0.27 N ATOM 1365 CA ASP A 92 14.987 0.501 -9.469 1.00 0.32 C ATOM 1366 C ASP A 92 14.348 -0.867 -9.524 1.00 0.30 C ATOM 1367 O ASP A 92 14.840 -1.774 -10.193 1.00 0.37 O ATOM 1368 CB ASP A 92 16.342 0.449 -8.747 1.00 0.42 C ATOM 1369 CG ASP A 92 17.416 -0.278 -9.538 1.00 0.59 C ATOM 1370 OD1 ASP A 92 18.020 0.333 -10.444 1.00 0.93 O ATOM 1371 OD2 ASP A 92 17.638 -1.477 -9.273 1.00 0.82 O ATOM 0 H ASP A 92 14.207 1.466 -7.782 1.00 0.27 H new ATOM 0 HA ASP A 92 15.166 0.845 -10.488 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.677 1.466 -8.543 1.00 0.42 H new ATOM 0 HB3 ASP A 92 16.214 -0.044 -7.783 1.00 0.42 H new ATOM 1376 N CYS A 93 13.212 -0.990 -8.841 1.00 0.28 N ATOM 1377 CA CYS A 93 12.501 -2.253 -8.738 1.00 0.27 C ATOM 1378 C CYS A 93 13.382 -3.292 -8.070 1.00 0.26 C ATOM 1379 O CYS A 93 13.239 -4.488 -8.317 1.00 0.31 O ATOM 1380 CB CYS A 93 12.072 -2.756 -10.115 1.00 0.38 C ATOM 1381 SG CYS A 93 11.181 -1.537 -11.112 1.00 0.62 S ATOM 0 H CYS A 93 12.764 -0.218 -8.347 1.00 0.28 H new ATOM 0 HA CYS A 93 11.608 -2.089 -8.136 1.00 0.27 H new ATOM 0 HB2 CYS A 93 12.958 -3.078 -10.663 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.440 -3.635 -9.987 1.00 0.38 H new ATOM 0 HG CYS A 93 10.864 -2.062 -12.258 1.00 0.62 H new ATOM 1387 N ASP A 94 14.284 -2.832 -7.210 1.00 0.27 N ATOM 1388 CA ASP A 94 15.150 -3.741 -6.477 1.00 0.33 C ATOM 1389 C ASP A 94 14.292 -4.602 -5.570 1.00 0.33 C ATOM 1390 O ASP A 94 14.585 -5.762 -5.283 1.00 0.48 O ATOM 1391 CB ASP A 94 16.185 -2.971 -5.653 1.00 0.41 C ATOM 1392 CG ASP A 94 17.009 -3.886 -4.764 1.00 0.65 C ATOM 1393 OD1 ASP A 94 18.032 -4.424 -5.233 1.00 0.96 O ATOM 1394 OD2 ASP A 94 16.635 -4.071 -3.588 1.00 1.33 O ATOM 0 H ASP A 94 14.432 -1.844 -7.006 1.00 0.27 H new ATOM 0 HA ASP A 94 15.693 -4.368 -7.184 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.849 -2.426 -6.324 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.677 -2.230 -5.036 1.00 0.41 H new ATOM 1399 N VAL A 95 13.182 -4.013 -5.192 1.00 0.23 N ATOM 1400 CA VAL A 95 12.247 -4.601 -4.259 1.00 0.21 C ATOM 1401 C VAL A 95 10.961 -5.002 -4.956 1.00 0.20 C ATOM 1402 O VAL A 95 10.948 -5.275 -6.158 1.00 0.22 O ATOM 1403 CB VAL A 95 11.929 -3.582 -3.163 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.144 -3.382 -2.287 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.507 -2.263 -3.797 1.00 0.19 C ATOM 0 H VAL A 95 12.897 -3.094 -5.530 1.00 0.23 H new ATOM 0 HA VAL A 95 12.699 -5.495 -3.829 1.00 0.21 H new ATOM 0 HB VAL A 95 11.110 -3.952 -2.547 1.00 0.20 H new ATOM 0 HG11 VAL A 95 12.915 -2.656 -1.507 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.422 -4.331 -1.829 1.00 0.23 H new ATOM 0 HG13 VAL A 95 13.973 -3.015 -2.892 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.281 -1.539 -3.014 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.317 -1.883 -4.420 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.621 -2.422 -4.411 1.00 0.19 H new ATOM 1415 N ILE A 96 9.881 -5.026 -4.195 1.00 0.19 N ATOM 1416 CA ILE A 96 8.580 -5.295 -4.738 1.00 0.19 C ATOM 1417 C ILE A 96 7.982 -3.974 -5.164 1.00 0.16 C ATOM 1418 O ILE A 96 8.153 -2.964 -4.478 1.00 0.15 O ATOM 1419 CB ILE A 96 7.667 -5.997 -3.712 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.419 -5.103 -2.489 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.289 -7.317 -3.281 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.493 -5.715 -1.463 1.00 0.29 C ATOM 0 H ILE A 96 9.891 -4.859 -3.189 1.00 0.19 H new ATOM 0 HA ILE A 96 8.671 -5.972 -5.588 1.00 0.19 H new ATOM 0 HB ILE A 96 6.706 -6.192 -4.187 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.374 -4.879 -2.015 1.00 0.25 H new ATOM 0 HG13 ILE A 96 6.999 -4.154 -2.823 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.638 -7.806 -2.556 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.413 -7.962 -4.151 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.262 -7.130 -2.826 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.367 -5.024 -0.629 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.524 -5.913 -1.920 1.00 0.29 H new ATOM 0 HD13 ILE A 96 6.920 -6.649 -1.099 1.00 0.29 H new ATOM 1434 N GLN A 97 7.319 -3.970 -6.300 1.00 0.17 N ATOM 1435 CA GLN A 97 6.810 -2.731 -6.875 1.00 0.17 C ATOM 1436 C GLN A 97 5.847 -2.047 -5.912 1.00 0.16 C ATOM 1437 O GLN A 97 5.743 -0.828 -5.897 1.00 0.16 O ATOM 1438 CB GLN A 97 6.128 -2.983 -8.217 1.00 0.19 C ATOM 1439 CG GLN A 97 6.389 -1.885 -9.242 1.00 0.25 C ATOM 1440 CD GLN A 97 7.789 -1.954 -9.835 1.00 0.31 C ATOM 1441 OE1 GLN A 97 8.009 -2.642 -10.832 1.00 0.40 O ATOM 1442 NE2 GLN A 97 8.747 -1.245 -9.242 1.00 0.32 N ATOM 0 H GLN A 97 7.117 -4.806 -6.848 1.00 0.17 H new ATOM 0 HA GLN A 97 7.660 -2.071 -7.046 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.474 -3.935 -8.619 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.053 -3.075 -8.059 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.655 -1.961 -10.044 1.00 0.25 H new ATOM 0 HG3 GLN A 97 6.246 -0.913 -8.771 1.00 0.25 H new ATOM 0 HE21 GLN A 97 8.531 -0.685 -8.417 1.00 0.32 H new ATOM 0 HE22 GLN A 97 9.697 -1.262 -9.612 1.00 0.32 H new ATOM 1451 N ALA A 98 5.170 -2.843 -5.093 1.00 0.17 N ATOM 1452 CA ALA A 98 4.297 -2.310 -4.053 1.00 0.18 C ATOM 1453 C ALA A 98 5.061 -1.349 -3.159 1.00 0.17 C ATOM 1454 O ALA A 98 4.612 -0.241 -2.887 1.00 0.20 O ATOM 1455 CB ALA A 98 3.736 -3.441 -3.213 1.00 0.20 C ATOM 0 H ALA A 98 5.209 -3.862 -5.129 1.00 0.17 H new ATOM 0 HA ALA A 98 3.478 -1.775 -4.534 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.086 -3.032 -2.440 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.164 -4.117 -3.848 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.555 -3.988 -2.746 1.00 0.20 H new ATOM 1461 N LEU A 99 6.234 -1.786 -2.736 1.00 0.17 N ATOM 1462 CA LEU A 99 7.068 -0.998 -1.836 1.00 0.17 C ATOM 1463 C LEU A 99 7.782 0.096 -2.605 1.00 0.15 C ATOM 1464 O LEU A 99 7.933 1.218 -2.121 1.00 0.15 O ATOM 1465 CB LEU A 99 8.094 -1.876 -1.121 1.00 0.19 C ATOM 1466 CG LEU A 99 9.035 -1.117 -0.180 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.244 -0.383 0.895 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.046 -2.057 0.454 1.00 0.22 C ATOM 0 H LEU A 99 6.635 -2.686 -3.001 1.00 0.17 H new ATOM 0 HA LEU A 99 6.417 -0.549 -1.086 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.565 -2.638 -0.548 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.692 -2.397 -1.869 1.00 0.19 H new ATOM 0 HG LEU A 99 9.579 -0.381 -0.772 1.00 0.18 H new ATOM 0 HD11 LEU A 99 8.931 0.149 1.553 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.566 0.329 0.425 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.668 -1.102 1.478 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.702 -1.493 1.117 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.522 -2.822 1.027 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.641 -2.532 -0.326 1.00 0.22 H new ATOM 1480 N ASP A 100 8.181 -0.238 -3.820 1.00 0.15 N ATOM 1481 CA ASP A 100 8.946 0.663 -4.667 1.00 0.16 C ATOM 1482 C ASP A 100 8.118 1.904 -4.971 1.00 0.15 C ATOM 1483 O ASP A 100 8.644 2.995 -5.159 1.00 0.16 O ATOM 1484 CB ASP A 100 9.337 -0.076 -5.951 1.00 0.17 C ATOM 1485 CG ASP A 100 10.247 0.721 -6.857 1.00 0.20 C ATOM 1486 OD1 ASP A 100 11.474 0.702 -6.631 1.00 0.21 O ATOM 1487 OD2 ASP A 100 9.743 1.331 -7.821 1.00 0.26 O ATOM 0 H ASP A 100 7.984 -1.142 -4.248 1.00 0.15 H new ATOM 0 HA ASP A 100 9.856 0.983 -4.159 1.00 0.16 H new ATOM 0 HB2 ASP A 100 9.831 -1.011 -5.686 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.432 -0.338 -6.499 1.00 0.17 H new ATOM 1492 N LEU A 101 6.809 1.717 -5.013 1.00 0.16 N ATOM 1493 CA LEU A 101 5.882 2.809 -5.218 1.00 0.16 C ATOM 1494 C LEU A 101 5.417 3.432 -3.894 1.00 0.15 C ATOM 1495 O LEU A 101 5.167 4.641 -3.816 1.00 0.16 O ATOM 1496 CB LEU A 101 4.687 2.302 -6.016 1.00 0.19 C ATOM 1497 CG LEU A 101 5.025 1.676 -7.373 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.755 1.300 -8.120 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.888 2.616 -8.204 1.00 0.25 C ATOM 0 H LEU A 101 6.364 0.806 -4.906 1.00 0.16 H new ATOM 0 HA LEU A 101 6.397 3.595 -5.772 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.157 1.563 -5.415 1.00 0.19 H new ATOM 0 HB3 LEU A 101 4.000 3.133 -6.178 1.00 0.19 H new ATOM 0 HG LEU A 101 5.597 0.765 -7.196 1.00 0.22 H new ATOM 0 HD11 LEU A 101 4.016 0.857 -9.081 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.186 0.580 -7.531 1.00 0.25 H new ATOM 0 HD13 LEU A 101 3.151 2.193 -8.284 1.00 0.25 H new ATOM 0 HD21 LEU A 101 6.115 2.150 -9.163 1.00 0.25 H new ATOM 0 HD22 LEU A 101 5.351 3.549 -8.373 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.817 2.823 -7.672 1.00 0.25 H new ATOM 1511 N SER A 102 5.302 2.609 -2.858 1.00 0.15 N ATOM 1512 CA SER A 102 4.779 3.054 -1.574 1.00 0.17 C ATOM 1513 C SER A 102 5.727 4.044 -0.909 1.00 0.15 C ATOM 1514 O SER A 102 5.293 4.943 -0.194 1.00 0.18 O ATOM 1515 CB SER A 102 4.541 1.852 -0.653 1.00 0.23 C ATOM 1516 OG SER A 102 4.131 2.262 0.637 1.00 1.01 O ATOM 0 H SER A 102 5.566 1.624 -2.884 1.00 0.15 H new ATOM 0 HA SER A 102 3.830 3.559 -1.753 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.781 1.203 -1.089 1.00 0.23 H new ATOM 0 HB3 SER A 102 5.456 1.264 -0.576 1.00 0.23 H new ATOM 0 HG SER A 102 4.680 1.812 1.313 1.00 1.01 H new ATOM 1522 N VAL A 103 7.018 3.874 -1.150 1.00 0.15 N ATOM 1523 CA VAL A 103 8.030 4.748 -0.562 1.00 0.16 C ATOM 1524 C VAL A 103 7.873 6.201 -1.010 1.00 0.16 C ATOM 1525 O VAL A 103 7.773 7.080 -0.172 1.00 0.18 O ATOM 1526 CB VAL A 103 9.451 4.273 -0.885 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.484 5.317 -0.477 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.728 2.953 -0.193 1.00 0.19 C ATOM 0 H VAL A 103 7.393 3.139 -1.749 1.00 0.15 H new ATOM 0 HA VAL A 103 7.874 4.698 0.516 1.00 0.16 H new ATOM 0 HB VAL A 103 9.528 4.130 -1.963 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.483 4.954 -0.718 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.296 6.245 -1.016 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.413 5.500 0.595 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.740 2.624 -0.429 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.630 3.080 0.885 1.00 0.19 H new ATOM 0 HG23 VAL A 103 9.014 2.205 -0.537 1.00 0.19 H new ATOM 1538 N PRO A 104 7.862 6.487 -2.326 1.00 0.17 N ATOM 1539 CA PRO A 104 7.631 7.850 -2.818 1.00 0.21 C ATOM 1540 C PRO A 104 6.247 8.364 -2.431 1.00 0.19 C ATOM 1541 O PRO A 104 5.992 9.566 -2.425 1.00 0.22 O ATOM 1542 CB PRO A 104 7.766 7.722 -4.340 1.00 0.27 C ATOM 1543 CG PRO A 104 7.608 6.270 -4.626 1.00 0.21 C ATOM 1544 CD PRO A 104 8.122 5.546 -3.422 1.00 0.17 C ATOM 0 HA PRO A 104 8.332 8.566 -2.390 1.00 0.21 H new ATOM 0 HB2 PRO A 104 7.005 8.309 -4.853 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.735 8.087 -4.681 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.563 6.022 -4.812 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.167 5.986 -5.518 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.604 4.599 -3.271 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.184 5.318 -3.513 1.00 0.17 H new ATOM 1552 N LEU A 105 5.348 7.436 -2.125 1.00 0.18 N ATOM 1553 CA LEU A 105 4.037 7.783 -1.606 1.00 0.19 C ATOM 1554 C LEU A 105 4.088 8.049 -0.098 1.00 0.22 C ATOM 1555 O LEU A 105 3.143 8.579 0.488 1.00 0.32 O ATOM 1556 CB LEU A 105 3.056 6.651 -1.889 1.00 0.18 C ATOM 1557 CG LEU A 105 2.574 6.535 -3.336 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.345 5.648 -3.414 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.284 7.907 -3.924 1.00 0.64 C ATOM 0 H LEU A 105 5.507 6.434 -2.229 1.00 0.18 H new ATOM 0 HA LEU A 105 3.707 8.695 -2.104 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.526 5.709 -1.606 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.186 6.780 -1.245 1.00 0.18 H new ATOM 0 HG LEU A 105 3.369 6.078 -3.925 1.00 0.25 H new ATOM 0 HD11 LEU A 105 1.014 5.575 -4.450 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.590 4.654 -3.041 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.547 6.077 -2.808 1.00 0.53 H new ATOM 0 HD21 LEU A 105 1.943 7.797 -4.953 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.509 8.399 -3.336 1.00 0.64 H new ATOM 0 HD23 LEU A 105 3.192 8.510 -3.905 1.00 0.64 H new ATOM 1571 N MET A 106 5.175 7.633 0.525 1.00 0.20 N ATOM 1572 CA MET A 106 5.365 7.796 1.957 1.00 0.24 C ATOM 1573 C MET A 106 6.409 8.882 2.256 1.00 0.21 C ATOM 1574 O MET A 106 7.358 9.071 1.497 1.00 0.26 O ATOM 1575 CB MET A 106 5.774 6.438 2.546 1.00 0.33 C ATOM 1576 CG MET A 106 7.147 6.413 3.182 1.00 0.53 C ATOM 1577 SD MET A 106 7.719 4.733 3.513 1.00 0.78 S ATOM 1578 CE MET A 106 6.438 4.154 4.613 1.00 0.54 C ATOM 0 H MET A 106 5.953 7.172 0.053 1.00 0.20 H new ATOM 0 HA MET A 106 4.435 8.126 2.421 1.00 0.24 H new ATOM 0 HB2 MET A 106 5.037 6.144 3.293 1.00 0.33 H new ATOM 0 HB3 MET A 106 5.741 5.689 1.755 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.858 6.914 2.525 1.00 0.53 H new ATOM 0 HG3 MET A 106 7.123 6.977 4.115 1.00 0.53 H new ATOM 0 HE1 MET A 106 6.889 3.778 5.531 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.763 4.977 4.851 1.00 0.54 H new ATOM 0 HE3 MET A 106 5.878 3.354 4.130 1.00 0.54 H new ATOM 1588 N ASP A 107 6.221 9.607 3.352 1.00 0.18 N ATOM 1589 CA ASP A 107 7.151 10.666 3.729 1.00 0.18 C ATOM 1590 C ASP A 107 8.299 10.114 4.556 1.00 0.14 C ATOM 1591 O ASP A 107 8.188 9.050 5.175 1.00 0.13 O ATOM 1592 CB ASP A 107 6.445 11.779 4.513 1.00 0.25 C ATOM 1593 CG ASP A 107 5.980 12.918 3.629 1.00 0.56 C ATOM 1594 OD1 ASP A 107 6.802 13.807 3.323 1.00 0.97 O ATOM 1595 OD2 ASP A 107 4.794 12.932 3.241 1.00 0.92 O ATOM 0 H ASP A 107 5.437 9.483 3.993 1.00 0.18 H new ATOM 0 HA ASP A 107 7.547 11.087 2.805 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.587 11.359 5.038 1.00 0.25 H new ATOM 0 HB3 ASP A 107 7.123 12.168 5.272 1.00 0.25 H new ATOM 1600 N VAL A 108 9.407 10.838 4.565 1.00 0.16 N ATOM 1601 CA VAL A 108 10.561 10.430 5.345 1.00 0.16 C ATOM 1602 C VAL A 108 10.223 10.442 6.826 1.00 0.15 C ATOM 1603 O VAL A 108 9.771 11.447 7.372 1.00 0.19 O ATOM 1604 CB VAL A 108 11.793 11.333 5.063 1.00 0.21 C ATOM 1605 CG1 VAL A 108 12.715 11.428 6.270 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.566 10.802 3.866 1.00 0.80 C ATOM 0 H VAL A 108 9.530 11.706 4.044 1.00 0.16 H new ATOM 0 HA VAL A 108 10.823 9.415 5.046 1.00 0.16 H new ATOM 0 HB VAL A 108 11.422 12.335 4.847 1.00 0.21 H new ATOM 0 HG11 VAL A 108 13.564 12.069 6.030 1.00 0.68 H new ATOM 0 HG12 VAL A 108 12.168 11.850 7.113 1.00 0.68 H new ATOM 0 HG13 VAL A 108 13.074 10.433 6.533 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.428 11.442 3.676 1.00 0.80 H new ATOM 0 HG22 VAL A 108 12.906 9.787 4.073 1.00 0.80 H new ATOM 0 HG23 VAL A 108 11.919 10.796 2.989 1.00 0.80 H new ATOM 1616 N GLY A 109 10.435 9.307 7.455 1.00 0.15 N ATOM 1617 CA GLY A 109 10.218 9.193 8.875 1.00 0.17 C ATOM 1618 C GLY A 109 8.832 8.685 9.206 1.00 0.18 C ATOM 1619 O GLY A 109 8.382 8.814 10.346 1.00 0.28 O ATOM 0 H GLY A 109 10.757 8.451 7.003 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.961 8.518 9.301 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.367 10.167 9.342 1.00 0.17 H new ATOM 1623 N GLU A 110 8.144 8.107 8.225 1.00 0.13 N ATOM 1624 CA GLU A 110 6.811 7.594 8.471 1.00 0.13 C ATOM 1625 C GLU A 110 6.811 6.083 8.551 1.00 0.10 C ATOM 1626 O GLU A 110 7.798 5.423 8.217 1.00 0.12 O ATOM 1627 CB GLU A 110 5.815 8.051 7.404 1.00 0.17 C ATOM 1628 CG GLU A 110 5.803 7.247 6.120 1.00 0.20 C ATOM 1629 CD GLU A 110 4.527 7.469 5.317 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.250 8.621 4.936 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.808 6.482 5.034 1.00 0.39 O ATOM 0 H GLU A 110 8.484 7.986 7.271 1.00 0.13 H new ATOM 0 HA GLU A 110 6.494 8.002 9.431 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.814 8.026 7.835 1.00 0.17 H new ATOM 0 HB3 GLU A 110 6.029 9.091 7.157 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.665 7.522 5.513 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.903 6.187 6.355 1.00 0.20 H new ATOM 1638 N THR A 111 5.703 5.540 9.013 1.00 0.10 N ATOM 1639 CA THR A 111 5.512 4.119 9.019 1.00 0.11 C ATOM 1640 C THR A 111 4.137 3.818 8.462 1.00 0.11 C ATOM 1641 O THR A 111 3.128 4.290 8.984 1.00 0.12 O ATOM 1642 CB THR A 111 5.683 3.528 10.434 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.897 4.026 11.012 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.737 2.007 10.389 1.00 0.19 C ATOM 0 H THR A 111 4.920 6.074 9.390 1.00 0.10 H new ATOM 0 HA THR A 111 6.273 3.650 8.395 1.00 0.11 H new ATOM 0 HB THR A 111 4.826 3.826 11.038 1.00 0.16 H new ATOM 0 HG1 THR A 111 7.008 3.654 11.912 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.858 1.617 11.400 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.812 1.623 9.960 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.580 1.691 9.775 1.00 0.19 H new ATOM 1652 N ALA A 112 4.108 3.094 7.364 1.00 0.12 N ATOM 1653 CA ALA A 112 2.861 2.775 6.710 1.00 0.13 C ATOM 1654 C ALA A 112 2.692 1.277 6.604 1.00 0.12 C ATOM 1655 O ALA A 112 3.650 0.552 6.345 1.00 0.13 O ATOM 1656 CB ALA A 112 2.805 3.417 5.331 1.00 0.18 C ATOM 0 H ALA A 112 4.937 2.715 6.906 1.00 0.12 H new ATOM 0 HA ALA A 112 2.042 3.174 7.309 1.00 0.13 H new ATOM 0 HB1 ALA A 112 1.859 3.167 4.851 1.00 0.18 H new ATOM 0 HB2 ALA A 112 2.887 4.499 5.430 1.00 0.18 H new ATOM 0 HB3 ALA A 112 3.630 3.045 4.723 1.00 0.18 H new ATOM 1662 N MET A 113 1.484 0.811 6.818 1.00 0.12 N ATOM 1663 CA MET A 113 1.180 -0.581 6.606 1.00 0.12 C ATOM 1664 C MET A 113 0.488 -0.696 5.271 1.00 0.12 C ATOM 1665 O MET A 113 -0.556 -0.087 5.057 1.00 0.14 O ATOM 1666 CB MET A 113 0.309 -1.145 7.736 1.00 0.16 C ATOM 1667 CG MET A 113 -0.249 -2.521 7.423 1.00 0.25 C ATOM 1668 SD MET A 113 -0.845 -3.396 8.882 1.00 0.53 S ATOM 1669 CE MET A 113 -2.351 -2.490 9.205 1.00 1.32 C ATOM 0 H MET A 113 0.698 1.376 7.138 1.00 0.12 H new ATOM 0 HA MET A 113 2.098 -1.169 6.608 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.899 -1.198 8.651 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.516 -0.459 7.928 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.066 -2.420 6.709 1.00 0.25 H new ATOM 0 HG3 MET A 113 0.525 -3.118 6.940 1.00 0.25 H new ATOM 0 HE1 MET A 113 -2.925 -3.001 9.978 1.00 1.32 H new ATOM 0 HE2 MET A 113 -2.105 -1.483 9.542 1.00 1.32 H new ATOM 0 HE3 MET A 113 -2.944 -2.432 8.292 1.00 1.32 H new ATOM 1679 N VAL A 114 1.098 -1.422 4.362 1.00 0.12 N ATOM 1680 CA VAL A 114 0.597 -1.522 3.011 1.00 0.12 C ATOM 1681 C VAL A 114 0.096 -2.918 2.747 1.00 0.13 C ATOM 1682 O VAL A 114 0.781 -3.897 3.041 1.00 0.16 O ATOM 1683 CB VAL A 114 1.706 -1.203 1.992 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.153 -0.958 0.598 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.521 -0.024 2.464 1.00 0.17 C ATOM 0 H VAL A 114 1.949 -1.956 4.537 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.215 -0.803 2.902 1.00 0.12 H new ATOM 0 HB VAL A 114 2.353 -2.077 1.924 1.00 0.15 H new ATOM 0 HG11 VAL A 114 1.973 -0.737 -0.085 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.624 -1.847 0.255 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.464 -0.114 0.623 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.303 0.193 1.736 1.00 0.17 H new ATOM 0 HG22 VAL A 114 1.874 0.846 2.572 1.00 0.17 H new ATOM 0 HG23 VAL A 114 2.977 -0.258 3.426 1.00 0.17 H new ATOM 1695 N THR A 115 -1.090 -3.018 2.202 1.00 0.14 N ATOM 1696 CA THR A 115 -1.567 -4.286 1.766 1.00 0.14 C ATOM 1697 C THR A 115 -1.561 -4.303 0.260 1.00 0.13 C ATOM 1698 O THR A 115 -2.294 -3.562 -0.391 1.00 0.16 O ATOM 1699 CB THR A 115 -2.967 -4.615 2.299 1.00 0.17 C ATOM 1700 OG1 THR A 115 -2.960 -4.642 3.728 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.411 -5.962 1.786 1.00 0.20 C ATOM 0 H THR A 115 -1.731 -2.238 2.055 1.00 0.14 H new ATOM 0 HA THR A 115 -0.905 -5.054 2.166 1.00 0.14 H new ATOM 0 HB THR A 115 -3.656 -3.844 1.954 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.502 -3.901 4.072 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.406 -6.187 2.169 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.437 -5.946 0.696 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.711 -6.728 2.121 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.700 -5.131 -0.266 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.512 -5.259 -1.692 1.00 0.13 C ATOM 1711 C ALA A 116 -0.702 -6.696 -2.094 1.00 0.12 C ATOM 1712 O ALA A 116 -0.204 -7.599 -1.420 1.00 0.13 O ATOM 1713 CB ALA A 116 0.876 -4.790 -2.080 1.00 0.15 C ATOM 0 H ALA A 116 -0.101 -5.744 0.287 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.245 -4.639 -2.208 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.006 -4.891 -3.157 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.000 -3.745 -1.796 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.622 -5.396 -1.566 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.436 -6.913 -3.170 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.577 -8.250 -3.714 1.00 0.13 C ATOM 1721 C ASP A 117 -0.198 -8.832 -3.965 1.00 0.11 C ATOM 1722 O ASP A 117 0.741 -8.090 -4.263 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.352 -8.239 -5.020 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.835 -9.625 -5.401 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -2.047 -10.396 -5.981 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -4.016 -9.943 -5.131 1.00 0.58 O ATOM 0 H ASP A 117 -1.939 -6.187 -3.680 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.127 -8.855 -2.993 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.207 -7.569 -4.930 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.719 -7.844 -5.815 1.00 0.16 H new ATOM 1731 N SER A 118 -0.081 -10.143 -3.850 1.00 0.13 N ATOM 1732 CA SER A 118 1.191 -10.819 -4.036 1.00 0.16 C ATOM 1733 C SER A 118 1.793 -10.455 -5.393 1.00 0.13 C ATOM 1734 O SER A 118 3.000 -10.433 -5.559 1.00 0.15 O ATOM 1735 CB SER A 118 0.996 -12.328 -3.936 1.00 0.27 C ATOM 1736 OG SER A 118 2.178 -12.977 -3.505 1.00 0.82 O ATOM 0 H SER A 118 -0.858 -10.765 -3.627 1.00 0.13 H new ATOM 0 HA SER A 118 1.878 -10.497 -3.254 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.186 -12.546 -3.240 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.697 -12.722 -4.907 1.00 0.27 H new ATOM 0 HG SER A 118 1.997 -13.931 -3.372 1.00 0.82 H new ATOM 1742 N LYS A 119 0.942 -10.144 -6.354 1.00 0.13 N ATOM 1743 CA LYS A 119 1.394 -9.700 -7.667 1.00 0.14 C ATOM 1744 C LYS A 119 2.339 -8.498 -7.558 1.00 0.14 C ATOM 1745 O LYS A 119 3.274 -8.368 -8.344 1.00 0.18 O ATOM 1746 CB LYS A 119 0.187 -9.352 -8.534 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.791 -8.422 -7.862 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.873 -7.967 -8.816 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.771 -9.111 -9.243 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.639 -8.716 -10.383 1.00 0.81 N ATOM 0 H LYS A 119 -0.072 -10.190 -6.252 1.00 0.13 H new ATOM 0 HA LYS A 119 1.951 -10.514 -8.131 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.535 -8.893 -9.459 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.329 -10.272 -8.809 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.246 -8.926 -7.009 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.259 -7.554 -7.473 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.474 -7.193 -8.340 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.414 -7.518 -9.697 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -2.161 -9.969 -9.527 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.390 -9.424 -8.402 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -4.243 -9.518 -10.654 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -4.237 -7.912 -10.102 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -3.046 -8.440 -11.192 1.00 0.81 H new ATOM 1764 N TYR A 120 2.120 -7.639 -6.561 1.00 0.13 N ATOM 1765 CA TYR A 120 3.005 -6.501 -6.337 1.00 0.15 C ATOM 1766 C TYR A 120 4.049 -6.845 -5.295 1.00 0.15 C ATOM 1767 O TYR A 120 4.886 -6.014 -4.936 1.00 0.19 O ATOM 1768 CB TYR A 120 2.219 -5.276 -5.874 1.00 0.16 C ATOM 1769 CG TYR A 120 1.151 -4.837 -6.831 1.00 0.20 C ATOM 1770 CD1 TYR A 120 -0.130 -5.346 -6.734 1.00 0.23 C ATOM 1771 CD2 TYR A 120 1.427 -3.920 -7.826 1.00 0.28 C ATOM 1772 CE1 TYR A 120 -1.118 -4.958 -7.607 1.00 0.30 C ATOM 1773 CE2 TYR A 120 0.445 -3.521 -8.716 1.00 0.34 C ATOM 1774 CZ TYR A 120 -0.832 -4.045 -8.598 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.823 -3.663 -9.477 1.00 0.42 O ATOM 0 H TYR A 120 1.344 -7.710 -5.903 1.00 0.13 H new ATOM 0 HA TYR A 120 3.493 -6.269 -7.284 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.760 -5.495 -4.910 1.00 0.16 H new ATOM 0 HB3 TYR A 120 2.913 -4.450 -5.717 1.00 0.16 H new ATOM 0 HD1 TYR A 120 -0.359 -6.062 -5.958 1.00 0.23 H new ATOM 0 HD2 TYR A 120 2.422 -3.509 -7.911 1.00 0.28 H new ATOM 0 HE1 TYR A 120 -2.114 -5.367 -7.517 1.00 0.30 H new ATOM 0 HE2 TYR A 120 0.672 -2.808 -9.495 1.00 0.34 H new ATOM 0 HH TYR A 120 -2.687 -3.659 -9.014 1.00 0.42 H new ATOM 1785 N CYS A 121 3.990 -8.078 -4.825 1.00 0.14 N ATOM 1786 CA CYS A 121 4.859 -8.546 -3.766 1.00 0.15 C ATOM 1787 C CYS A 121 5.691 -9.736 -4.240 1.00 0.16 C ATOM 1788 O CYS A 121 6.781 -9.548 -4.765 1.00 0.18 O ATOM 1789 CB CYS A 121 4.034 -8.911 -2.540 1.00 0.14 C ATOM 1790 SG CYS A 121 3.045 -7.542 -1.894 1.00 0.16 S ATOM 0 H CYS A 121 3.337 -8.782 -5.169 1.00 0.14 H new ATOM 0 HA CYS A 121 5.547 -7.745 -3.494 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.371 -9.739 -2.793 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.703 -9.266 -1.756 1.00 0.14 H new ATOM 0 HG CYS A 121 1.799 -7.906 -1.816 1.00 0.16 H new ATOM 1796 N TYR A 122 5.186 -10.964 -4.071 1.00 0.16 N ATOM 1797 CA TYR A 122 5.904 -12.140 -4.557 1.00 0.18 C ATOM 1798 C TYR A 122 4.945 -13.215 -5.083 1.00 0.18 C ATOM 1799 O TYR A 122 5.192 -14.395 -4.879 1.00 0.20 O ATOM 1800 CB TYR A 122 6.774 -12.760 -3.448 1.00 0.19 C ATOM 1801 CG TYR A 122 7.551 -11.767 -2.609 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.824 -11.363 -2.984 1.00 0.21 C ATOM 1803 CD2 TYR A 122 7.016 -11.246 -1.432 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.541 -10.469 -2.216 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.728 -10.354 -0.662 1.00 0.20 C ATOM 1806 CZ TYR A 122 8.990 -9.970 -1.056 1.00 0.22 C ATOM 1807 OH TYR A 122 9.711 -9.082 -0.288 1.00 0.24 O ATOM 0 H TYR A 122 4.299 -11.164 -3.609 1.00 0.16 H new ATOM 0 HA TYR A 122 6.539 -11.796 -5.374 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.132 -13.345 -2.789 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.478 -13.454 -3.906 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.260 -11.754 -3.891 1.00 0.21 H new ATOM 0 HD2 TYR A 122 6.027 -11.547 -1.119 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.530 -10.162 -2.523 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.299 -9.958 0.246 1.00 0.20 H new ATOM 0 HH TYR A 122 9.156 -8.301 -0.083 1.00 0.24 H new ATOM 1817 N GLY A 123 3.871 -12.816 -5.769 1.00 0.19 N ATOM 1818 CA GLY A 123 2.922 -13.780 -6.316 1.00 0.21 C ATOM 1819 C GLY A 123 3.574 -14.878 -7.134 1.00 0.21 C ATOM 1820 O GLY A 123 3.763 -15.986 -6.644 1.00 0.25 O ATOM 0 H GLY A 123 3.641 -11.840 -5.956 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.363 -14.232 -5.496 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.201 -13.253 -6.941 1.00 0.21 H new ATOM 1824 N PRO A 124 3.933 -14.601 -8.391 1.00 0.25 N ATOM 1825 CA PRO A 124 4.623 -15.570 -9.233 1.00 0.30 C ATOM 1826 C PRO A 124 6.124 -15.530 -8.994 1.00 0.30 C ATOM 1827 O PRO A 124 6.912 -16.139 -9.720 1.00 0.34 O ATOM 1828 CB PRO A 124 4.277 -15.093 -10.641 1.00 0.37 C ATOM 1829 CG PRO A 124 4.140 -13.613 -10.519 1.00 0.58 C ATOM 1830 CD PRO A 124 3.692 -13.330 -9.103 1.00 0.32 C ATOM 0 HA PRO A 124 4.328 -16.601 -9.040 1.00 0.30 H new ATOM 0 HB2 PRO A 124 5.058 -15.361 -11.352 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.353 -15.548 -10.997 1.00 0.37 H new ATOM 0 HG2 PRO A 124 5.088 -13.118 -10.730 1.00 0.58 H new ATOM 0 HG3 PRO A 124 3.414 -13.232 -11.237 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.260 -12.511 -8.661 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.640 -13.045 -9.066 1.00 0.32 H new ATOM 1838 N GLN A 125 6.506 -14.798 -7.961 1.00 0.27 N ATOM 1839 CA GLN A 125 7.907 -14.542 -7.685 1.00 0.30 C ATOM 1840 C GLN A 125 8.367 -15.401 -6.526 1.00 0.32 C ATOM 1841 O GLN A 125 9.374 -16.105 -6.605 1.00 0.39 O ATOM 1842 CB GLN A 125 8.109 -13.073 -7.328 1.00 0.30 C ATOM 1843 CG GLN A 125 7.239 -12.127 -8.129 1.00 0.33 C ATOM 1844 CD GLN A 125 7.261 -10.727 -7.562 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.281 -10.273 -7.048 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.123 -10.055 -7.612 1.00 0.29 N ATOM 0 H GLN A 125 5.861 -14.369 -7.297 1.00 0.27 H new ATOM 0 HA GLN A 125 8.489 -14.783 -8.574 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.901 -12.934 -6.267 1.00 0.30 H new ATOM 0 HB3 GLN A 125 9.155 -12.811 -7.484 1.00 0.30 H new ATOM 0 HG2 GLN A 125 7.582 -12.105 -9.163 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.214 -12.498 -8.141 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.302 -10.474 -8.049 1.00 0.29 H new ATOM 0 HE22 GLN A 125 6.066 -9.118 -7.213 1.00 0.29 H new ATOM 1855 N GLY A 126 7.595 -15.340 -5.456 1.00 0.27 N ATOM 1856 CA GLY A 126 7.966 -15.973 -4.225 1.00 0.27 C ATOM 1857 C GLY A 126 8.964 -15.151 -3.445 1.00 0.28 C ATOM 1858 O GLY A 126 9.873 -14.539 -4.012 1.00 0.30 O ATOM 0 H GLY A 126 6.700 -14.851 -5.426 1.00 0.27 H new ATOM 0 HA2 GLY A 126 7.076 -16.134 -3.617 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.390 -16.955 -4.436 1.00 0.27 H new ATOM 1862 N SER A 127 8.793 -15.146 -2.141 1.00 0.27 N ATOM 1863 CA SER A 127 9.603 -14.333 -1.263 1.00 0.28 C ATOM 1864 C SER A 127 10.832 -15.097 -0.773 1.00 0.32 C ATOM 1865 O SER A 127 10.894 -16.319 -0.895 1.00 0.33 O ATOM 1866 CB SER A 127 8.741 -13.847 -0.085 1.00 0.27 C ATOM 1867 OG SER A 127 9.521 -13.271 0.949 1.00 0.30 O ATOM 0 H SER A 127 8.088 -15.706 -1.660 1.00 0.27 H new ATOM 0 HA SER A 127 9.969 -13.469 -1.817 1.00 0.28 H new ATOM 0 HB2 SER A 127 8.019 -13.114 -0.444 1.00 0.27 H new ATOM 0 HB3 SER A 127 8.172 -14.685 0.316 1.00 0.27 H new ATOM 0 HG SER A 127 9.003 -12.570 1.397 1.00 0.30 H new ATOM 1873 N ARG A 128 11.807 -14.349 -0.240 1.00 0.38 N ATOM 1874 CA ARG A 128 13.094 -14.905 0.191 1.00 0.42 C ATOM 1875 C ARG A 128 12.910 -16.133 1.060 1.00 0.42 C ATOM 1876 O ARG A 128 13.257 -17.245 0.663 1.00 0.52 O ATOM 1877 CB ARG A 128 13.908 -13.878 0.982 1.00 0.52 C ATOM 1878 CG ARG A 128 14.497 -12.747 0.157 1.00 1.12 C ATOM 1879 CD ARG A 128 13.509 -11.620 -0.084 1.00 1.41 C ATOM 1880 NE ARG A 128 14.205 -10.400 -0.499 1.00 1.81 N ATOM 1881 CZ ARG A 128 13.785 -9.571 -1.455 1.00 2.33 C ATOM 1882 NH1 ARG A 128 12.641 -9.799 -2.088 1.00 2.45 N ATOM 1883 NH2 ARG A 128 14.519 -8.513 -1.784 1.00 3.17 N ATOM 0 H ARG A 128 11.725 -13.343 -0.096 1.00 0.38 H new ATOM 0 HA ARG A 128 13.628 -15.179 -0.719 1.00 0.42 H new ATOM 0 HB2 ARG A 128 13.270 -13.449 1.754 1.00 0.52 H new ATOM 0 HB3 ARG A 128 14.720 -14.396 1.491 1.00 0.52 H new ATOM 0 HG2 ARG A 128 15.376 -12.351 0.666 1.00 1.12 H new ATOM 0 HG3 ARG A 128 14.834 -13.140 -0.802 1.00 1.12 H new ATOM 0 HD2 ARG A 128 12.793 -11.915 -0.851 1.00 1.41 H new ATOM 0 HD3 ARG A 128 12.940 -11.428 0.826 1.00 1.41 H new ATOM 0 HE ARG A 128 15.076 -10.167 -0.021 1.00 1.81 H new ATOM 0 HH11 ARG A 128 12.077 -10.613 -1.844 1.00 2.45 H new ATOM 0 HH12 ARG A 128 12.326 -9.160 -2.818 1.00 2.45 H new ATOM 0 HH21 ARG A 128 15.402 -8.336 -1.305 1.00 3.17 H new ATOM 0 HH22 ARG A 128 14.199 -7.878 -2.515 1.00 3.17 H new ATOM 1897 N SER A 129 12.392 -15.915 2.259 1.00 0.42 N ATOM 1898 CA SER A 129 12.130 -16.999 3.176 1.00 0.44 C ATOM 1899 C SER A 129 11.060 -17.940 2.608 1.00 0.41 C ATOM 1900 O SER A 129 11.369 -19.094 2.304 1.00 0.44 O ATOM 1901 CB SER A 129 11.741 -16.448 4.549 1.00 0.48 C ATOM 1902 OG SER A 129 12.772 -15.633 5.075 1.00 1.23 O ATOM 0 H SER A 129 12.146 -14.991 2.615 1.00 0.42 H new ATOM 0 HA SER A 129 13.039 -17.586 3.303 1.00 0.44 H new ATOM 0 HB2 SER A 129 10.821 -15.870 4.466 1.00 0.48 H new ATOM 0 HB3 SER A 129 11.539 -17.273 5.233 1.00 0.48 H new ATOM 0 HG SER A 129 12.502 -15.290 5.952 1.00 1.23 H new ATOM 1908 N PRO A 130 9.790 -17.496 2.448 1.00 0.37 N ATOM 1909 CA PRO A 130 8.759 -18.299 1.834 1.00 0.36 C ATOM 1910 C PRO A 130 8.405 -17.812 0.434 1.00 0.32 C ATOM 1911 O PRO A 130 8.109 -16.635 0.240 1.00 0.27 O ATOM 1912 CB PRO A 130 7.569 -18.035 2.769 1.00 0.37 C ATOM 1913 CG PRO A 130 7.893 -16.744 3.481 1.00 0.37 C ATOM 1914 CD PRO A 130 9.191 -16.243 2.896 1.00 0.37 C ATOM 0 HA PRO A 130 9.051 -19.343 1.719 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.639 -17.950 2.206 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.439 -18.852 3.478 1.00 0.37 H new ATOM 0 HG2 PRO A 130 7.097 -16.013 3.340 1.00 0.37 H new ATOM 0 HG3 PRO A 130 7.989 -16.907 4.554 1.00 0.37 H new ATOM 0 HD2 PRO A 130 9.032 -15.544 2.075 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.807 -15.731 3.635 1.00 0.37 H new ATOM 1922 N TYR A 131 8.437 -18.699 -0.539 1.00 0.33 N ATOM 1923 CA TYR A 131 7.803 -18.429 -1.813 1.00 0.32 C ATOM 1924 C TYR A 131 6.334 -18.126 -1.552 1.00 0.30 C ATOM 1925 O TYR A 131 5.531 -19.034 -1.347 1.00 0.32 O ATOM 1926 CB TYR A 131 7.963 -19.624 -2.767 1.00 0.36 C ATOM 1927 CG TYR A 131 7.325 -19.437 -4.133 1.00 0.45 C ATOM 1928 CD1 TYR A 131 5.953 -19.575 -4.314 1.00 0.78 C ATOM 1929 CD2 TYR A 131 8.096 -19.123 -5.246 1.00 1.00 C ATOM 1930 CE1 TYR A 131 5.372 -19.401 -5.555 1.00 0.87 C ATOM 1931 CE2 TYR A 131 7.520 -18.949 -6.490 1.00 1.14 C ATOM 1932 CZ TYR A 131 6.161 -19.087 -6.638 1.00 0.81 C ATOM 1933 OH TYR A 131 5.586 -18.911 -7.875 1.00 1.00 O ATOM 0 H TYR A 131 8.893 -19.609 -0.473 1.00 0.33 H new ATOM 0 HA TYR A 131 8.276 -17.573 -2.295 1.00 0.32 H new ATOM 0 HB2 TYR A 131 9.026 -19.824 -2.902 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.530 -20.507 -2.297 1.00 0.36 H new ATOM 0 HD1 TYR A 131 5.330 -19.823 -3.468 1.00 0.78 H new ATOM 0 HD2 TYR A 131 9.165 -19.013 -5.137 1.00 1.00 H new ATOM 0 HE1 TYR A 131 4.304 -19.511 -5.675 1.00 0.87 H new ATOM 0 HE2 TYR A 131 8.136 -18.705 -7.343 1.00 1.14 H new ATOM 0 HH TYR A 131 6.281 -18.693 -8.531 1.00 1.00 H new ATOM 1943 N ILE A 132 6.006 -16.843 -1.486 1.00 0.27 N ATOM 1944 CA ILE A 132 4.658 -16.421 -1.180 1.00 0.26 C ATOM 1945 C ILE A 132 3.721 -16.846 -2.306 1.00 0.25 C ATOM 1946 O ILE A 132 4.017 -16.616 -3.475 1.00 0.25 O ATOM 1947 CB ILE A 132 4.563 -14.889 -0.996 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.595 -14.351 -0.006 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.171 -14.506 -0.538 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.599 -15.023 1.336 1.00 0.23 C ATOM 0 H ILE A 132 6.662 -16.078 -1.642 1.00 0.27 H new ATOM 0 HA ILE A 132 4.368 -16.895 -0.242 1.00 0.26 H new ATOM 0 HB ILE A 132 4.775 -14.439 -1.966 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.586 -14.451 -0.448 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.416 -13.286 0.139 1.00 0.39 H new ATOM 0 HG21 ILE A 132 3.114 -13.425 -0.411 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.442 -14.823 -1.284 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.953 -14.995 0.412 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.365 -14.571 1.967 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.623 -14.902 1.807 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.812 -16.085 1.211 1.00 0.23 H new ATOM 1962 N PRO A 133 2.600 -17.501 -1.966 1.00 0.27 N ATOM 1963 CA PRO A 133 1.621 -17.956 -2.956 1.00 0.28 C ATOM 1964 C PRO A 133 1.154 -16.824 -3.868 1.00 0.26 C ATOM 1965 O PRO A 133 0.973 -15.683 -3.422 1.00 0.26 O ATOM 1966 CB PRO A 133 0.462 -18.473 -2.101 1.00 0.34 C ATOM 1967 CG PRO A 133 1.080 -18.829 -0.795 1.00 0.61 C ATOM 1968 CD PRO A 133 2.207 -17.857 -0.594 1.00 0.31 C ATOM 0 HA PRO A 133 2.037 -18.708 -3.627 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.309 -17.712 -1.979 1.00 0.34 H new ATOM 0 HB3 PRO A 133 -0.014 -19.338 -2.562 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.353 -18.757 0.014 1.00 0.61 H new ATOM 0 HG3 PRO A 133 1.446 -19.856 -0.803 1.00 0.61 H new ATOM 0 HD2 PRO A 133 1.887 -16.982 -0.028 1.00 0.31 H new ATOM 0 HD3 PRO A 133 3.033 -18.308 -0.044 1.00 0.31 H new ATOM 1976 N PRO A 134 0.973 -17.119 -5.163 1.00 0.27 N ATOM 1977 CA PRO A 134 0.499 -16.132 -6.127 1.00 0.25 C ATOM 1978 C PRO A 134 -0.847 -15.543 -5.735 1.00 0.27 C ATOM 1979 O PRO A 134 -1.776 -16.274 -5.386 1.00 0.32 O ATOM 1980 CB PRO A 134 0.375 -16.913 -7.433 1.00 0.29 C ATOM 1981 CG PRO A 134 1.283 -18.080 -7.264 1.00 0.52 C ATOM 1982 CD PRO A 134 1.246 -18.420 -5.797 1.00 0.33 C ATOM 0 HA PRO A 134 1.179 -15.283 -6.194 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.652 -17.233 -7.607 1.00 0.29 H new ATOM 0 HB3 PRO A 134 0.668 -16.304 -8.288 1.00 0.29 H new ATOM 0 HG2 PRO A 134 0.952 -18.924 -7.869 1.00 0.52 H new ATOM 0 HG3 PRO A 134 2.296 -17.837 -7.584 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.469 -19.150 -5.571 1.00 0.33 H new ATOM 0 HD3 PRO A 134 2.191 -18.845 -5.457 1.00 0.33 H new ATOM 1990 N HIS A 135 -0.917 -14.215 -5.778 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.147 -13.462 -5.492 1.00 0.31 C ATOM 1992 C HIS A 135 -2.466 -13.414 -3.994 1.00 0.32 C ATOM 1993 O HIS A 135 -3.513 -12.899 -3.605 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.351 -14.051 -6.233 1.00 0.41 C ATOM 1995 CG HIS A 135 -4.046 -13.107 -7.157 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -4.624 -11.930 -6.744 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -4.278 -13.187 -8.485 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -5.189 -11.335 -7.769 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -4.992 -12.075 -8.843 1.00 2.25 N ATOM 0 H HIS A 135 -0.121 -13.623 -6.013 1.00 0.26 H new ATOM 0 HA HIS A 135 -1.962 -12.447 -5.843 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.018 -14.917 -6.805 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -4.070 -14.412 -5.498 1.00 0.41 H new ATOM 0 HD1 HIS A 135 -4.615 -11.574 -5.788 1.00 1.81 H new ATOM 0 HD2 HIS A 135 -3.959 -13.982 -9.143 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -5.725 -10.398 -7.738 1.00 2.38 H new ATOM 2008 N ALA A 136 -1.583 -13.948 -3.160 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.778 -13.876 -1.716 1.00 0.24 C ATOM 2010 C ALA A 136 -1.589 -12.440 -1.255 1.00 0.21 C ATOM 2011 O ALA A 136 -0.542 -11.844 -1.492 1.00 0.22 O ATOM 2012 CB ALA A 136 -0.816 -14.804 -0.987 1.00 0.26 C ATOM 0 H ALA A 136 -0.734 -14.431 -3.453 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.791 -14.201 -1.480 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -0.983 -14.730 0.088 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -0.985 -15.831 -1.311 1.00 0.26 H new ATOM 0 HB3 ALA A 136 0.210 -14.516 -1.215 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.588 -11.877 -0.602 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.544 -10.463 -0.277 1.00 0.19 C ATOM 2020 C ALA A 137 -1.579 -10.215 0.880 1.00 0.16 C ATOM 2021 O ALA A 137 -1.810 -10.661 2.003 1.00 0.20 O ATOM 2022 CB ALA A 137 -3.936 -9.935 0.036 1.00 0.22 C ATOM 0 H ALA A 137 -3.427 -12.367 -0.290 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.176 -9.917 -1.146 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.877 -8.873 0.276 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.582 -10.075 -0.831 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.348 -10.477 0.887 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.494 -9.517 0.585 1.00 0.13 N ATOM 2029 CA LEU A 138 0.570 -9.279 1.546 1.00 0.12 C ATOM 2030 C LEU A 138 0.328 -7.986 2.317 1.00 0.13 C ATOM 2031 O LEU A 138 0.017 -6.951 1.731 1.00 0.15 O ATOM 2032 CB LEU A 138 1.913 -9.213 0.820 1.00 0.13 C ATOM 2033 CG LEU A 138 2.951 -10.210 1.322 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.379 -11.610 1.357 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.198 -10.165 0.465 1.00 0.19 C ATOM 0 H LEU A 138 -0.326 -9.099 -0.330 1.00 0.13 H new ATOM 0 HA LEU A 138 0.584 -10.103 2.260 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.746 -9.386 -0.243 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.317 -8.206 0.920 1.00 0.13 H new ATOM 0 HG LEU A 138 3.225 -9.928 2.339 1.00 0.15 H new ATOM 0 HD11 LEU A 138 3.138 -12.304 1.718 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.517 -11.634 2.024 1.00 0.22 H new ATOM 0 HD13 LEU A 138 2.069 -11.902 0.354 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.925 -10.885 0.842 1.00 0.19 H new ATOM 0 HD22 LEU A 138 3.941 -10.414 -0.565 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.627 -9.164 0.500 1.00 0.19 H new ATOM 2047 N CYS A 139 0.471 -8.054 3.630 1.00 0.13 N ATOM 2048 CA CYS A 139 0.286 -6.890 4.478 1.00 0.14 C ATOM 2049 C CYS A 139 1.587 -6.567 5.196 1.00 0.13 C ATOM 2050 O CYS A 139 1.938 -7.197 6.191 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.819 -7.155 5.491 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.407 -5.681 6.348 1.00 1.20 S ATOM 0 H CYS A 139 0.716 -8.907 4.133 1.00 0.13 H new ATOM 0 HA CYS A 139 -0.001 -6.039 3.861 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.660 -7.624 4.980 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -0.456 -7.870 6.229 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.125 -4.964 5.535 1.00 1.20 H new ATOM 2058 N LEU A 140 2.297 -5.586 4.692 1.00 0.13 N ATOM 2059 CA LEU A 140 3.631 -5.284 5.177 1.00 0.14 C ATOM 2060 C LEU A 140 3.703 -3.906 5.811 1.00 0.13 C ATOM 2061 O LEU A 140 3.157 -2.944 5.289 1.00 0.12 O ATOM 2062 CB LEU A 140 4.629 -5.389 4.034 1.00 0.17 C ATOM 2063 CG LEU A 140 4.259 -4.616 2.773 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.055 -3.324 2.705 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.496 -5.468 1.535 1.00 0.32 C ATOM 0 H LEU A 140 1.974 -4.977 3.940 1.00 0.13 H new ATOM 0 HA LEU A 140 3.880 -6.012 5.949 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.598 -5.035 4.386 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.749 -6.441 3.774 1.00 0.17 H new ATOM 0 HG LEU A 140 3.198 -4.367 2.809 1.00 0.17 H new ATOM 0 HD11 LEU A 140 4.785 -2.777 1.801 1.00 0.26 H new ATOM 0 HD12 LEU A 140 4.832 -2.713 3.579 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.120 -3.554 2.685 1.00 0.26 H new ATOM 0 HD21 LEU A 140 4.226 -4.899 0.645 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.548 -5.748 1.482 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.884 -6.368 1.590 1.00 0.32 H new ATOM 2077 N GLU A 141 4.366 -3.817 6.944 1.00 0.14 N ATOM 2078 CA GLU A 141 4.532 -2.546 7.615 1.00 0.13 C ATOM 2079 C GLU A 141 5.932 -2.021 7.352 1.00 0.12 C ATOM 2080 O GLU A 141 6.914 -2.702 7.642 1.00 0.15 O ATOM 2081 CB GLU A 141 4.254 -2.720 9.104 1.00 0.18 C ATOM 2082 CG GLU A 141 4.984 -1.754 10.018 1.00 0.26 C ATOM 2083 CD GLU A 141 4.391 -1.776 11.409 1.00 0.30 C ATOM 2084 OE1 GLU A 141 4.629 -2.751 12.150 1.00 1.00 O ATOM 2085 OE2 GLU A 141 3.713 -0.795 11.780 1.00 1.05 O ATOM 0 H GLU A 141 4.798 -4.609 7.419 1.00 0.14 H new ATOM 0 HA GLU A 141 3.823 -1.813 7.230 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.182 -2.613 9.271 1.00 0.18 H new ATOM 0 HB3 GLU A 141 4.521 -3.737 9.390 1.00 0.18 H new ATOM 0 HG2 GLU A 141 6.040 -2.018 10.064 1.00 0.26 H new ATOM 0 HG3 GLU A 141 4.926 -0.745 9.609 1.00 0.26 H new ATOM 2092 N VAL A 142 6.018 -0.833 6.772 1.00 0.12 N ATOM 2093 CA VAL A 142 7.295 -0.281 6.378 1.00 0.12 C ATOM 2094 C VAL A 142 7.618 1.024 7.105 1.00 0.12 C ATOM 2095 O VAL A 142 6.895 2.014 7.007 1.00 0.15 O ATOM 2096 CB VAL A 142 7.377 -0.060 4.852 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.603 -1.383 4.139 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.121 0.618 4.326 1.00 0.19 C ATOM 0 H VAL A 142 5.216 -0.237 6.566 1.00 0.12 H new ATOM 0 HA VAL A 142 8.040 -1.022 6.667 1.00 0.12 H new ATOM 0 HB VAL A 142 8.223 0.598 4.651 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.659 -1.212 3.064 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.536 -1.828 4.485 1.00 0.19 H new ATOM 0 HG13 VAL A 142 6.776 -2.059 4.356 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.208 0.760 3.249 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.254 -0.006 4.541 1.00 0.19 H new ATOM 0 HG23 VAL A 142 6.000 1.587 4.811 1.00 0.19 H new ATOM 2108 N THR A 143 8.694 0.984 7.872 1.00 0.13 N ATOM 2109 CA THR A 143 9.282 2.178 8.461 1.00 0.13 C ATOM 2110 C THR A 143 10.283 2.804 7.502 1.00 0.12 C ATOM 2111 O THR A 143 11.298 2.196 7.181 1.00 0.15 O ATOM 2112 CB THR A 143 10.034 1.837 9.763 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.227 0.974 10.578 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.383 3.100 10.541 1.00 0.22 C ATOM 0 H THR A 143 9.186 0.122 8.105 1.00 0.13 H new ATOM 0 HA THR A 143 8.467 2.870 8.671 1.00 0.13 H new ATOM 0 HB THR A 143 10.962 1.330 9.499 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.709 0.758 11.403 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.913 2.830 11.455 1.00 0.22 H new ATOM 0 HG22 THR A 143 11.018 3.740 9.929 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.468 3.634 10.797 1.00 0.22 H new ATOM 2122 N LEU A 144 10.001 4.005 7.033 1.00 0.13 N ATOM 2123 CA LEU A 144 10.990 4.749 6.277 1.00 0.12 C ATOM 2124 C LEU A 144 11.816 5.558 7.248 1.00 0.12 C ATOM 2125 O LEU A 144 11.385 6.597 7.743 1.00 0.14 O ATOM 2126 CB LEU A 144 10.337 5.660 5.237 1.00 0.14 C ATOM 2127 CG LEU A 144 11.314 6.394 4.310 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.177 5.413 3.537 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.560 7.299 3.352 1.00 0.13 C ATOM 0 H LEU A 144 9.108 4.481 7.160 1.00 0.13 H new ATOM 0 HA LEU A 144 11.624 4.051 5.731 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.661 5.062 4.626 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.728 6.400 5.756 1.00 0.14 H new ATOM 0 HG LEU A 144 11.968 7.006 4.930 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.860 5.962 2.888 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.751 4.804 4.236 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.541 4.768 2.931 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.269 7.812 2.702 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.879 6.701 2.746 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.990 8.035 3.919 1.00 0.13 H new ATOM 2141 N LYS A 145 12.988 5.049 7.543 1.00 0.14 N ATOM 2142 CA LYS A 145 13.828 5.632 8.568 1.00 0.17 C ATOM 2143 C LYS A 145 14.804 6.610 7.967 1.00 0.16 C ATOM 2144 O LYS A 145 15.308 7.503 8.647 1.00 0.21 O ATOM 2145 CB LYS A 145 14.606 4.543 9.304 1.00 0.26 C ATOM 2146 CG LYS A 145 13.727 3.489 9.930 1.00 0.40 C ATOM 2147 CD LYS A 145 13.675 2.209 9.111 1.00 0.60 C ATOM 2148 CE LYS A 145 15.054 1.691 8.753 1.00 0.38 C ATOM 2149 NZ LYS A 145 15.913 1.451 9.945 1.00 1.08 N ATOM 0 H LYS A 145 13.385 4.228 7.087 1.00 0.14 H new ATOM 0 HA LYS A 145 13.180 6.156 9.270 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.292 4.064 8.606 1.00 0.26 H new ATOM 0 HB3 LYS A 145 15.214 5.005 10.082 1.00 0.26 H new ATOM 0 HG2 LYS A 145 14.095 3.261 10.930 1.00 0.40 H new ATOM 0 HG3 LYS A 145 12.718 3.884 10.044 1.00 0.40 H new ATOM 0 HD2 LYS A 145 13.138 1.444 9.672 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.110 2.390 8.197 1.00 0.60 H new ATOM 0 HE2 LYS A 145 14.953 0.762 8.192 1.00 0.38 H new ATOM 0 HE3 LYS A 145 15.546 2.408 8.096 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 16.817 1.035 9.643 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 16.092 2.353 10.431 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 15.431 0.798 10.595 1.00 1.08 H new ATOM 2163 N THR A 146 15.077 6.435 6.692 1.00 0.16 N ATOM 2164 CA THR A 146 16.149 7.158 6.058 1.00 0.19 C ATOM 2165 C THR A 146 15.982 7.190 4.545 1.00 0.17 C ATOM 2166 O THR A 146 15.495 6.230 3.947 1.00 0.16 O ATOM 2167 CB THR A 146 17.485 6.470 6.395 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.705 6.455 7.814 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.667 7.134 5.704 1.00 0.37 C ATOM 0 H THR A 146 14.570 5.798 6.078 1.00 0.16 H new ATOM 0 HA THR A 146 16.134 8.183 6.428 1.00 0.19 H new ATOM 0 HB THR A 146 17.412 5.447 6.026 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.558 6.013 8.008 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.586 6.613 5.973 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.528 7.090 4.624 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.735 8.175 6.019 1.00 0.37 H new ATOM 2177 N ALA A 147 16.379 8.297 3.944 1.00 0.20 N ATOM 2178 CA ALA A 147 16.466 8.399 2.502 1.00 0.19 C ATOM 2179 C ALA A 147 17.756 9.096 2.131 1.00 0.22 C ATOM 2180 O ALA A 147 18.037 10.186 2.631 1.00 0.25 O ATOM 2181 CB ALA A 147 15.276 9.166 1.952 1.00 0.21 C ATOM 0 H ALA A 147 16.649 9.146 4.441 1.00 0.20 H new ATOM 0 HA ALA A 147 16.456 7.399 2.068 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.357 9.234 0.867 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.355 8.646 2.216 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.261 10.169 2.378 1.00 0.21 H new ATOM 2187 N VAL A 148 18.548 8.480 1.263 1.00 0.24 N ATOM 2188 CA VAL A 148 19.816 9.073 0.868 1.00 0.31 C ATOM 2189 C VAL A 148 20.004 8.972 -0.640 1.00 0.34 C ATOM 2190 O VAL A 148 19.803 7.920 -1.234 1.00 0.36 O ATOM 2191 CB VAL A 148 21.020 8.427 1.610 1.00 0.42 C ATOM 2192 CG1 VAL A 148 20.809 8.473 3.116 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.263 6.993 1.167 1.00 0.75 C ATOM 0 H VAL A 148 18.338 7.583 0.825 1.00 0.24 H new ATOM 0 HA VAL A 148 19.785 10.125 1.153 1.00 0.31 H new ATOM 0 HB VAL A 148 21.903 9.010 1.350 1.00 0.42 H new ATOM 0 HG11 VAL A 148 21.662 8.016 3.617 1.00 0.92 H new ATOM 0 HG12 VAL A 148 20.711 9.510 3.438 1.00 0.92 H new ATOM 0 HG13 VAL A 148 19.902 7.926 3.373 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.113 6.583 1.712 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.376 6.393 1.373 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.474 6.973 0.098 1.00 0.75 H new ATOM 2203 N ASP A 149 20.363 10.083 -1.262 1.00 0.44 N ATOM 2204 CA ASP A 149 20.550 10.112 -2.702 1.00 0.52 C ATOM 2205 C ASP A 149 21.785 9.319 -3.102 1.00 0.66 C ATOM 2206 O ASP A 149 22.902 9.631 -2.680 1.00 0.79 O ATOM 2207 CB ASP A 149 20.658 11.550 -3.196 1.00 0.68 C ATOM 2208 CG ASP A 149 21.131 11.644 -4.640 1.00 1.41 C ATOM 2209 OD1 ASP A 149 20.542 10.959 -5.505 1.00 2.27 O ATOM 2210 OD2 ASP A 149 22.106 12.374 -4.910 1.00 1.61 O ATOM 0 H ASP A 149 20.530 10.974 -0.794 1.00 0.44 H new ATOM 0 HA ASP A 149 19.681 9.648 -3.168 1.00 0.52 H new ATOM 0 HB2 ASP A 149 19.686 12.035 -3.105 1.00 0.68 H new ATOM 0 HB3 ASP A 149 21.349 12.098 -2.556 1.00 0.68 H new ATOM 2215 N LEU A 150 21.577 8.289 -3.901 1.00 0.68 N ATOM 2216 CA LEU A 150 22.654 7.420 -4.326 1.00 0.89 C ATOM 2217 C LEU A 150 22.371 6.934 -5.745 1.00 0.96 C ATOM 2218 O LEU A 150 22.762 5.834 -6.135 1.00 1.38 O ATOM 2219 CB LEU A 150 22.773 6.240 -3.351 1.00 1.00 C ATOM 2220 CG LEU A 150 24.200 5.864 -2.919 1.00 1.09 C ATOM 2221 CD1 LEU A 150 25.085 5.554 -4.115 1.00 1.81 C ATOM 2222 CD2 LEU A 150 24.816 6.981 -2.095 1.00 1.97 C ATOM 0 H LEU A 150 20.661 8.034 -4.271 1.00 0.68 H new ATOM 0 HA LEU A 150 23.600 7.961 -4.325 1.00 0.89 H new ATOM 0 HB2 LEU A 150 22.194 6.473 -2.458 1.00 1.00 H new ATOM 0 HB3 LEU A 150 22.312 5.366 -3.811 1.00 1.00 H new ATOM 0 HG LEU A 150 24.130 4.963 -2.309 1.00 1.09 H new ATOM 0 HD11 LEU A 150 26.085 5.293 -3.769 1.00 1.81 H new ATOM 0 HD12 LEU A 150 24.664 4.717 -4.672 1.00 1.81 H new ATOM 0 HD13 LEU A 150 25.142 6.429 -4.762 1.00 1.81 H new ATOM 0 HD21 LEU A 150 25.826 6.699 -1.797 1.00 1.97 H new ATOM 0 HD22 LEU A 150 24.855 7.893 -2.690 1.00 1.97 H new ATOM 0 HD23 LEU A 150 24.210 7.153 -1.205 1.00 1.97 H new ATOM 2234 N GLU A 151 21.693 7.779 -6.517 1.00 0.72 N ATOM 2235 CA GLU A 151 21.290 7.432 -7.872 1.00 0.79 C ATOM 2236 C GLU A 151 22.520 7.354 -8.772 1.00 1.44 C ATOM 2237 O GLU A 151 22.849 6.296 -9.308 1.00 2.14 O ATOM 2238 CB GLU A 151 20.299 8.479 -8.396 1.00 0.57 C ATOM 2239 CG GLU A 151 19.270 7.940 -9.381 1.00 0.60 C ATOM 2240 CD GLU A 151 19.883 7.433 -10.668 1.00 0.92 C ATOM 2241 OE1 GLU A 151 20.168 8.258 -11.560 1.00 1.32 O ATOM 2242 OE2 GLU A 151 20.080 6.210 -10.789 1.00 1.57 O ATOM 0 H GLU A 151 21.411 8.714 -6.223 1.00 0.72 H new ATOM 0 HA GLU A 151 20.801 6.458 -7.871 1.00 0.79 H new ATOM 0 HB2 GLU A 151 19.775 8.920 -7.548 1.00 0.57 H new ATOM 0 HB3 GLU A 151 20.859 9.281 -8.878 1.00 0.57 H new ATOM 0 HG2 GLU A 151 18.713 7.131 -8.908 1.00 0.60 H new ATOM 0 HG3 GLU A 151 18.553 8.727 -9.614 1.00 0.60 H new ATOM 2249 N HIS A 152 23.213 8.477 -8.914 1.00 2.00 N ATOM 2250 CA HIS A 152 24.428 8.527 -9.715 1.00 2.74 C ATOM 2251 C HIS A 152 25.640 8.792 -8.836 1.00 3.34 C ATOM 2252 O HIS A 152 25.787 9.878 -8.276 1.00 4.01 O ATOM 2253 CB HIS A 152 24.336 9.606 -10.800 1.00 3.58 C ATOM 2254 CG HIS A 152 23.500 9.217 -11.978 1.00 4.23 C ATOM 2255 ND1 HIS A 152 23.004 10.134 -12.874 1.00 4.97 N ATOM 2256 CD2 HIS A 152 23.095 8.003 -12.420 1.00 4.78 C ATOM 2257 CE1 HIS A 152 22.324 9.507 -13.811 1.00 5.79 C ATOM 2258 NE2 HIS A 152 22.362 8.211 -13.561 1.00 5.71 N ATOM 0 H HIS A 152 22.954 9.365 -8.485 1.00 2.00 H new ATOM 0 HA HIS A 152 24.540 7.557 -10.199 1.00 2.74 H new ATOM 0 HB2 HIS A 152 23.925 10.514 -10.360 1.00 3.58 H new ATOM 0 HB3 HIS A 152 25.342 9.846 -11.145 1.00 3.58 H new ATOM 0 HD2 HIS A 152 23.309 7.049 -11.960 1.00 4.78 H new ATOM 0 HE1 HIS A 152 21.820 9.974 -14.644 1.00 5.79 H new ATOM 0 HE2 HIS A 152 21.919 7.484 -14.123 1.00 5.71 H new ATOM 2267 N HIS A 153 26.508 7.799 -8.727 1.00 3.70 N ATOM 2268 CA HIS A 153 27.730 7.929 -7.945 1.00 4.77 C ATOM 2269 C HIS A 153 28.850 8.428 -8.853 1.00 5.09 C ATOM 2270 O HIS A 153 29.937 7.854 -8.912 1.00 5.37 O ATOM 2271 CB HIS A 153 28.098 6.577 -7.324 1.00 5.63 C ATOM 2272 CG HIS A 153 29.080 6.670 -6.195 1.00 6.19 C ATOM 2273 ND1 HIS A 153 30.442 6.745 -6.384 1.00 6.78 N ATOM 2274 CD2 HIS A 153 28.887 6.692 -4.855 1.00 6.64 C ATOM 2275 CE1 HIS A 153 31.045 6.810 -5.211 1.00 7.48 C ATOM 2276 NE2 HIS A 153 30.122 6.783 -4.267 1.00 7.41 N ATOM 0 H HIS A 153 26.389 6.889 -9.172 1.00 3.70 H new ATOM 0 HA HIS A 153 27.580 8.645 -7.137 1.00 4.77 H new ATOM 0 HB2 HIS A 153 27.189 6.096 -6.962 1.00 5.63 H new ATOM 0 HB3 HIS A 153 28.512 5.933 -8.100 1.00 5.63 H new ATOM 0 HD1 HIS A 153 30.912 6.750 -7.289 1.00 6.78 H new ATOM 0 HD2 HIS A 153 27.937 6.646 -4.344 1.00 6.64 H new ATOM 0 HE1 HIS A 153 32.111 6.874 -5.051 1.00 7.48 H new ATOM 2285 N HIS A 154 28.565 9.507 -9.561 1.00 5.42 N ATOM 2286 CA HIS A 154 29.493 10.054 -10.539 1.00 6.05 C ATOM 2287 C HIS A 154 30.519 10.955 -9.858 1.00 6.57 C ATOM 2288 O HIS A 154 31.553 11.282 -10.437 1.00 7.00 O ATOM 2289 CB HIS A 154 28.706 10.813 -11.617 1.00 6.58 C ATOM 2290 CG HIS A 154 29.551 11.411 -12.701 1.00 7.19 C ATOM 2291 ND1 HIS A 154 30.210 10.664 -13.655 1.00 7.60 N ATOM 2292 CD2 HIS A 154 29.828 12.702 -12.986 1.00 7.78 C ATOM 2293 CE1 HIS A 154 30.856 11.471 -14.471 1.00 8.35 C ATOM 2294 NE2 HIS A 154 30.639 12.714 -14.090 1.00 8.46 N ATOM 0 H HIS A 154 27.691 10.026 -9.476 1.00 5.42 H new ATOM 0 HA HIS A 154 30.041 9.242 -11.016 1.00 6.05 H new ATOM 0 HB2 HIS A 154 27.986 10.132 -12.070 1.00 6.58 H new ATOM 0 HB3 HIS A 154 28.135 11.609 -11.139 1.00 6.58 H new ATOM 0 HD2 HIS A 154 29.475 13.566 -12.443 1.00 7.78 H new ATOM 0 HE1 HIS A 154 31.462 11.166 -15.311 1.00 8.35 H new ATOM 0 HE2 HIS A 154 31.013 13.548 -14.543 1.00 8.46 H new ATOM 2303 N HIS A 155 30.226 11.348 -8.626 1.00 6.86 N ATOM 2304 CA HIS A 155 31.148 12.150 -7.831 1.00 7.69 C ATOM 2305 C HIS A 155 32.400 11.355 -7.486 1.00 8.40 C ATOM 2306 O HIS A 155 32.364 10.124 -7.424 1.00 8.69 O ATOM 2307 CB HIS A 155 30.476 12.640 -6.544 1.00 7.95 C ATOM 2308 CG HIS A 155 29.681 13.899 -6.717 1.00 8.17 C ATOM 2309 ND1 HIS A 155 28.508 14.160 -6.044 1.00 8.40 N ATOM 2310 CD2 HIS A 155 29.916 14.985 -7.487 1.00 8.48 C ATOM 2311 CE1 HIS A 155 28.056 15.349 -6.397 1.00 8.78 C ATOM 2312 NE2 HIS A 155 28.894 15.870 -7.272 1.00 8.83 N ATOM 0 H HIS A 155 29.351 11.123 -8.152 1.00 6.86 H new ATOM 0 HA HIS A 155 31.434 13.015 -8.430 1.00 7.69 H new ATOM 0 HB2 HIS A 155 29.819 11.856 -6.167 1.00 7.95 H new ATOM 0 HB3 HIS A 155 31.242 12.806 -5.786 1.00 7.95 H new ATOM 0 HD2 HIS A 155 30.756 15.128 -8.150 1.00 8.48 H new ATOM 0 HE1 HIS A 155 27.153 15.816 -6.031 1.00 8.78 H new ATOM 0 HE2 HIS A 155 28.797 16.783 -7.716 1.00 8.83 H new ATOM 2321 N HIS A 156 33.500 12.080 -7.277 1.00 8.92 N ATOM 2322 CA HIS A 156 34.790 11.490 -6.926 1.00 9.83 C ATOM 2323 C HIS A 156 35.347 10.678 -8.096 1.00 10.27 C ATOM 2324 O HIS A 156 36.119 9.739 -7.909 1.00 10.47 O ATOM 2325 CB HIS A 156 34.661 10.616 -5.671 1.00 10.32 C ATOM 2326 CG HIS A 156 35.950 10.400 -4.935 1.00 10.97 C ATOM 2327 ND1 HIS A 156 36.009 9.795 -3.702 1.00 11.47 N ATOM 2328 CD2 HIS A 156 37.226 10.724 -5.253 1.00 11.42 C ATOM 2329 CE1 HIS A 156 37.264 9.751 -3.296 1.00 12.17 C ATOM 2330 NE2 HIS A 156 38.025 10.309 -4.220 1.00 12.15 N ATOM 0 H HIS A 156 33.520 13.097 -7.347 1.00 8.92 H new ATOM 0 HA HIS A 156 35.489 12.298 -6.708 1.00 9.83 H new ATOM 0 HB2 HIS A 156 33.942 11.077 -4.994 1.00 10.32 H new ATOM 0 HB3 HIS A 156 34.253 9.647 -5.958 1.00 10.32 H new ATOM 0 HD2 HIS A 156 37.554 11.219 -6.155 1.00 11.42 H new ATOM 0 HE1 HIS A 156 37.611 9.329 -2.364 1.00 12.17 H new ATOM 0 HE2 HIS A 156 39.039 10.414 -4.173 1.00 12.15 H new ATOM 2339 N HIS A 157 34.965 11.064 -9.305 1.00 10.63 N ATOM 2340 CA HIS A 157 35.473 10.428 -10.507 1.00 11.28 C ATOM 2341 C HIS A 157 35.703 11.490 -11.575 1.00 11.64 C ATOM 2342 O HIS A 157 36.846 11.964 -11.704 1.00 11.96 O ATOM 2343 CB HIS A 157 34.501 9.356 -11.023 1.00 11.62 C ATOM 2344 CG HIS A 157 35.082 8.482 -12.095 1.00 12.24 C ATOM 2345 ND1 HIS A 157 34.422 7.389 -12.612 1.00 12.87 N ATOM 2346 CD2 HIS A 157 36.270 8.538 -12.744 1.00 12.51 C ATOM 2347 CE1 HIS A 157 35.175 6.818 -13.532 1.00 13.46 C ATOM 2348 NE2 HIS A 157 36.306 7.492 -13.633 1.00 13.27 N ATOM 2349 OXT HIS A 157 34.731 11.862 -12.263 1.00 11.78 O ATOM 0 H HIS A 157 34.301 11.819 -9.477 1.00 10.63 H new ATOM 0 HA HIS A 157 36.415 9.933 -10.271 1.00 11.28 H new ATOM 0 HB2 HIS A 157 34.186 8.731 -10.187 1.00 11.62 H new ATOM 0 HB3 HIS A 157 33.607 9.845 -11.410 1.00 11.62 H new ATOM 0 HD2 HIS A 157 37.047 9.272 -12.590 1.00 12.51 H new ATOM 0 HE1 HIS A 157 34.910 5.943 -14.108 1.00 13.46 H new ATOM 0 HE2 HIS A 157 37.076 7.273 -14.265 1.00 13.27 H new TER 2358 HIS A 157