USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 806 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 17 SER OG : rot -158:sc= 0.748 USER MOD Set 1.2: A 18 CYS SG : rot 31:sc= 0.888 USER MOD Set 1.3: A 28 SER OG : rot -113:sc= 0.344 USER MOD Set 2.1: A 16 SER OG : rot -30:sc= 0.281 USER MOD Set 2.2: A 19 GLN : amide:sc= -0.819 X(o=-0.54,f=-0.69) USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.106 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -45:sc= 0.00994 USER MOD Single : A 23 SER OG : rot 133:sc= 0.0118! USER MOD Single : A 25 ASN : amide:sc= -2.74 K(o=-2.7,f=-3.7!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0621 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 36 SER OG : rot 72:sc= 0.612 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 42 GLN : amide:sc= -0.749 K(o=-0.75,f=-6.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.9) USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 0.434 (180deg=0.42) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.00292 K(o=0.0029,f=-0.76) USER MOD Single : A 68 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.357) USER MOD Single : A 69 ASN : amide:sc= -0.57 K(o=-0.57,f=-3) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.319 USER MOD Single : A 79 SER OG : rot 58:sc= 0.379 USER MOD Single : A 82 THR OG1 : rot 80:sc= -0.422 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -118:sc= 0.0295 (180deg=-0.00201) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.808 0.725 -0.615 1.00 1.44 N ATOM 2 CA ALA A 1 2.014 0.238 -1.973 1.00 1.41 C ATOM 3 C ALA A 1 2.875 -1.020 -1.980 1.00 63.02 C ATOM 4 O ALA A 1 3.505 -1.358 -0.978 1.00 4.14 O ATOM 5 CB ALA A 1 2.651 1.321 -2.831 1.00 42.30 C ATOM 0 H1 ALA A 1 0.813 0.591 -0.345 1.00 1.44 H new ATOM 0 H2 ALA A 1 2.419 0.196 0.040 1.00 1.44 H new ATOM 0 H3 ALA A 1 2.046 1.736 -0.569 1.00 1.44 H new ATOM 0 HA ALA A 1 1.041 -0.017 -2.393 1.00 1.41 H new ATOM 0 HB1 ALA A 1 2.799 0.943 -3.843 1.00 42.30 H new ATOM 0 HB2 ALA A 1 1.997 2.193 -2.861 1.00 42.30 H new ATOM 0 HB3 ALA A 1 3.614 1.604 -2.405 1.00 42.30 H new ATOM 11 N ILE A 2 2.897 -1.710 -3.116 1.00 1.23 N ATOM 12 CA ILE A 2 3.682 -2.931 -3.252 1.00 54.33 C ATOM 13 C ILE A 2 4.972 -2.672 -4.022 1.00 40.43 C ATOM 14 O ILE A 2 5.982 -3.342 -3.807 1.00 65.01 O ATOM 15 CB ILE A 2 2.883 -4.036 -3.968 1.00 51.11 C ATOM 16 CG1 ILE A 2 3.696 -5.331 -4.020 1.00 42.11 C ATOM 17 CG2 ILE A 2 2.499 -3.588 -5.371 1.00 22.34 C ATOM 18 CD1 ILE A 2 3.984 -5.919 -2.656 1.00 74.15 C ATOM 0 H ILE A 2 2.381 -1.444 -3.955 1.00 1.23 H new ATOM 0 HA ILE A 2 3.925 -3.265 -2.243 1.00 54.33 H new ATOM 0 HB ILE A 2 1.969 -4.225 -3.406 1.00 51.11 H new ATOM 0 HG12 ILE A 2 3.156 -6.066 -4.617 1.00 42.11 H new ATOM 0 HG13 ILE A 2 4.640 -5.138 -4.530 1.00 42.11 H new ATOM 0 HG21 ILE A 2 1.935 -4.380 -5.864 1.00 22.34 H new ATOM 0 HG22 ILE A 2 1.886 -2.689 -5.311 1.00 22.34 H new ATOM 0 HG23 ILE A 2 3.401 -3.374 -5.944 1.00 22.34 H new ATOM 0 HD11 ILE A 2 4.564 -6.835 -2.770 1.00 74.15 H new ATOM 0 HD12 ILE A 2 4.552 -5.202 -2.063 1.00 74.15 H new ATOM 0 HD13 ILE A 2 3.045 -6.144 -2.151 1.00 74.15 H new ATOM 30 N THR A 3 4.932 -1.693 -4.921 1.00 3.41 N ATOM 31 CA THR A 3 6.098 -1.344 -5.723 1.00 0.50 C ATOM 32 C THR A 3 7.274 -0.943 -4.839 1.00 54.11 C ATOM 33 O THR A 3 8.430 -1.020 -5.255 1.00 32.20 O ATOM 34 CB THR A 3 5.786 -0.191 -6.696 1.00 12.00 C ATOM 35 OG1 THR A 3 5.328 0.954 -5.968 1.00 51.12 O ATOM 36 CG2 THR A 3 4.731 -0.609 -7.709 1.00 62.15 C ATOM 0 H THR A 3 4.105 -1.128 -5.112 1.00 3.41 H new ATOM 0 HA THR A 3 6.364 -2.232 -6.296 1.00 0.50 H new ATOM 0 HB THR A 3 6.701 0.061 -7.231 1.00 12.00 H new ATOM 0 HG1 THR A 3 5.133 1.683 -6.593 1.00 51.12 H new ATOM 0 HG21 THR A 3 4.527 0.221 -8.385 1.00 62.15 H new ATOM 0 HG22 THR A 3 5.094 -1.463 -8.281 1.00 62.15 H new ATOM 0 HG23 THR A 3 3.815 -0.885 -7.187 1.00 62.15 H new ATOM 44 N ASP A 4 6.971 -0.516 -3.618 1.00 41.43 N ATOM 45 CA ASP A 4 8.004 -0.104 -2.674 1.00 72.33 C ATOM 46 C ASP A 4 8.955 -1.258 -2.373 1.00 31.13 C ATOM 47 O ASP A 4 10.075 -1.046 -1.908 1.00 24.32 O ATOM 48 CB ASP A 4 7.368 0.401 -1.378 1.00 41.23 C ATOM 49 CG ASP A 4 6.874 1.830 -1.494 1.00 61.35 C ATOM 50 OD1 ASP A 4 6.559 2.258 -2.624 1.00 72.02 O ATOM 51 OD2 ASP A 4 6.804 2.520 -0.456 1.00 34.12 O ATOM 0 H ASP A 4 6.019 -0.446 -3.259 1.00 41.43 H new ATOM 0 HA ASP A 4 8.576 0.705 -3.128 1.00 72.33 H new ATOM 0 HB2 ASP A 4 6.534 -0.248 -1.109 1.00 41.23 H new ATOM 0 HB3 ASP A 4 8.096 0.336 -0.570 1.00 41.23 H new ATOM 56 N ILE A 5 8.500 -2.478 -2.639 1.00 44.11 N ATOM 57 CA ILE A 5 9.311 -3.665 -2.396 1.00 41.31 C ATOM 58 C ILE A 5 9.605 -4.405 -3.696 1.00 63.22 C ATOM 59 O ILE A 5 10.753 -4.748 -3.982 1.00 62.22 O ATOM 60 CB ILE A 5 8.618 -4.629 -1.415 1.00 1.40 C ATOM 61 CG1 ILE A 5 7.689 -3.855 -0.477 1.00 73.41 C ATOM 62 CG2 ILE A 5 9.653 -5.409 -0.619 1.00 4.33 C ATOM 63 CD1 ILE A 5 7.029 -4.724 0.571 1.00 53.03 C ATOM 0 H ILE A 5 7.575 -2.670 -3.023 1.00 44.11 H new ATOM 0 HA ILE A 5 10.248 -3.323 -1.956 1.00 41.31 H new ATOM 0 HB ILE A 5 8.019 -5.338 -1.987 1.00 1.40 H new ATOM 0 HG12 ILE A 5 8.259 -3.070 0.020 1.00 73.41 H new ATOM 0 HG13 ILE A 5 6.917 -3.363 -1.068 1.00 73.41 H new ATOM 0 HG21 ILE A 5 9.148 -6.086 0.070 1.00 4.33 H new ATOM 0 HG22 ILE A 5 10.278 -5.985 -1.301 1.00 4.33 H new ATOM 0 HG23 ILE A 5 10.276 -4.715 -0.054 1.00 4.33 H new ATOM 0 HD11 ILE A 5 6.385 -4.110 1.200 1.00 53.03 H new ATOM 0 HD12 ILE A 5 6.431 -5.493 0.082 1.00 53.03 H new ATOM 0 HD13 ILE A 5 7.794 -5.196 1.187 1.00 53.03 H new ATOM 75 N LEU A 6 8.562 -4.647 -4.482 1.00 33.43 N ATOM 76 CA LEU A 6 8.708 -5.346 -5.754 1.00 54.11 C ATOM 77 C LEU A 6 8.781 -4.357 -6.913 1.00 1.20 C ATOM 78 O LEU A 6 8.757 -3.143 -6.709 1.00 23.13 O ATOM 79 CB LEU A 6 7.540 -6.311 -5.966 1.00 14.25 C ATOM 80 CG LEU A 6 7.767 -7.751 -5.506 1.00 25.30 C ATOM 81 CD1 LEU A 6 8.579 -7.779 -4.220 1.00 62.43 C ATOM 82 CD2 LEU A 6 6.438 -8.467 -5.315 1.00 40.23 C ATOM 0 H LEU A 6 7.606 -4.369 -4.261 1.00 33.43 H new ATOM 0 HA LEU A 6 9.639 -5.913 -5.724 1.00 54.11 H new ATOM 0 HB2 LEU A 6 6.669 -5.916 -5.442 1.00 14.25 H new ATOM 0 HB3 LEU A 6 7.294 -6.324 -7.028 1.00 14.25 H new ATOM 0 HG LEU A 6 8.330 -8.274 -6.279 1.00 25.30 H new ATOM 0 HD11 LEU A 6 8.731 -8.812 -3.908 1.00 62.43 H new ATOM 0 HD12 LEU A 6 9.546 -7.306 -4.390 1.00 62.43 H new ATOM 0 HD13 LEU A 6 8.043 -7.239 -3.439 1.00 62.43 H new ATOM 0 HD21 LEU A 6 6.620 -9.491 -4.988 1.00 40.23 H new ATOM 0 HD22 LEU A 6 5.848 -7.944 -4.562 1.00 40.23 H new ATOM 0 HD23 LEU A 6 5.893 -8.480 -6.259 1.00 40.23 H new ATOM 94 N SER A 7 8.868 -4.884 -8.130 1.00 24.32 N ATOM 95 CA SER A 7 8.947 -4.048 -9.322 1.00 12.12 C ATOM 96 C SER A 7 7.744 -4.284 -10.231 1.00 4.42 C ATOM 97 O SER A 7 7.399 -5.424 -10.539 1.00 3.14 O ATOM 98 CB SER A 7 10.242 -4.332 -10.086 1.00 35.13 C ATOM 99 OG SER A 7 11.175 -3.279 -9.917 1.00 54.03 O ATOM 0 H SER A 7 8.886 -5.887 -8.317 1.00 24.32 H new ATOM 0 HA SER A 7 8.943 -3.005 -9.005 1.00 12.12 H new ATOM 0 HB2 SER A 7 10.677 -5.268 -9.735 1.00 35.13 H new ATOM 0 HB3 SER A 7 10.022 -4.461 -11.146 1.00 35.13 H new ATOM 0 HG SER A 7 11.994 -3.485 -10.413 1.00 54.03 H new ATOM 105 N ALA A 8 7.111 -3.196 -10.657 1.00 14.11 N ATOM 106 CA ALA A 8 5.948 -3.283 -11.532 1.00 42.30 C ATOM 107 C ALA A 8 6.319 -3.897 -12.878 1.00 12.23 C ATOM 108 O ALA A 8 5.476 -4.482 -13.558 1.00 50.03 O ATOM 109 CB ALA A 8 5.333 -1.905 -11.730 1.00 35.42 C ATOM 0 H ALA A 8 7.384 -2.244 -10.411 1.00 14.11 H new ATOM 0 HA ALA A 8 5.213 -3.932 -11.056 1.00 42.30 H new ATOM 0 HB1 ALA A 8 4.466 -1.984 -12.385 1.00 35.42 H new ATOM 0 HB2 ALA A 8 5.023 -1.503 -10.765 1.00 35.42 H new ATOM 0 HB3 ALA A 8 6.069 -1.240 -12.181 1.00 35.42 H new ATOM 115 N LYS A 9 7.585 -3.759 -13.257 1.00 32.51 N ATOM 116 CA LYS A 9 8.068 -4.301 -14.521 1.00 63.14 C ATOM 117 C LYS A 9 8.582 -5.726 -14.342 1.00 73.21 C ATOM 118 O LYS A 9 8.994 -6.373 -15.305 1.00 32.31 O ATOM 119 CB LYS A 9 9.180 -3.415 -15.088 1.00 11.34 C ATOM 120 CG LYS A 9 9.191 -3.348 -16.605 1.00 63.30 C ATOM 121 CD LYS A 9 10.008 -2.169 -17.105 1.00 51.44 C ATOM 122 CE LYS A 9 9.765 -1.910 -18.585 1.00 24.24 C ATOM 123 NZ LYS A 9 10.336 -2.990 -19.437 1.00 50.41 N ATOM 0 H LYS A 9 8.295 -3.276 -12.706 1.00 32.51 H new ATOM 0 HA LYS A 9 7.233 -4.320 -15.221 1.00 63.14 H new ATOM 0 HB2 LYS A 9 9.069 -2.407 -14.689 1.00 11.34 H new ATOM 0 HB3 LYS A 9 10.143 -3.790 -14.742 1.00 11.34 H new ATOM 0 HG2 LYS A 9 9.602 -4.274 -17.008 1.00 63.30 H new ATOM 0 HG3 LYS A 9 8.169 -3.266 -16.974 1.00 63.30 H new ATOM 0 HD2 LYS A 9 9.752 -1.278 -16.532 1.00 51.44 H new ATOM 0 HD3 LYS A 9 11.068 -2.362 -16.937 1.00 51.44 H new ATOM 0 HE2 LYS A 9 8.694 -1.830 -18.769 1.00 24.24 H new ATOM 0 HE3 LYS A 9 10.208 -0.954 -18.864 1.00 24.24 H new ATOM 0 HZ1 LYS A 9 10.150 -2.777 -20.438 1.00 50.41 H new ATOM 0 HZ2 LYS A 9 11.362 -3.049 -19.281 1.00 50.41 H new ATOM 0 HZ3 LYS A 9 9.895 -3.898 -19.188 1.00 50.41 H new ATOM 137 N ASP A 10 8.553 -6.209 -13.105 1.00 35.31 N ATOM 138 CA ASP A 10 9.013 -7.559 -12.800 1.00 74.12 C ATOM 139 C ASP A 10 7.845 -8.452 -12.394 1.00 33.52 C ATOM 140 O ASP A 10 7.851 -9.656 -12.655 1.00 51.24 O ATOM 141 CB ASP A 10 10.057 -7.525 -11.684 1.00 3.14 C ATOM 142 CG ASP A 10 11.247 -6.651 -12.030 1.00 72.12 C ATOM 143 OD1 ASP A 10 11.323 -6.184 -13.186 1.00 33.22 O ATOM 144 OD2 ASP A 10 12.102 -6.435 -11.146 1.00 42.12 O ATOM 0 H ASP A 10 8.216 -5.686 -12.297 1.00 35.31 H new ATOM 0 HA ASP A 10 9.468 -7.973 -13.700 1.00 74.12 H new ATOM 0 HB2 ASP A 10 9.594 -7.157 -10.768 1.00 3.14 H new ATOM 0 HB3 ASP A 10 10.401 -8.539 -11.482 1.00 3.14 H new ATOM 149 N ILE A 11 6.845 -7.856 -11.753 1.00 25.04 N ATOM 150 CA ILE A 11 5.671 -8.598 -11.310 1.00 43.14 C ATOM 151 C ILE A 11 4.931 -9.212 -12.494 1.00 22.02 C ATOM 152 O ILE A 11 4.597 -10.396 -12.482 1.00 70.20 O ATOM 153 CB ILE A 11 4.701 -7.698 -10.523 1.00 75.20 C ATOM 154 CG1 ILE A 11 5.351 -7.225 -9.221 1.00 70.33 C ATOM 155 CG2 ILE A 11 3.405 -8.442 -10.234 1.00 41.15 C ATOM 156 CD1 ILE A 11 4.830 -5.891 -8.735 1.00 73.13 C ATOM 0 H ILE A 11 6.824 -6.861 -11.529 1.00 25.04 H new ATOM 0 HA ILE A 11 6.028 -9.393 -10.655 1.00 43.14 H new ATOM 0 HB ILE A 11 4.468 -6.823 -11.129 1.00 75.20 H new ATOM 0 HG12 ILE A 11 5.184 -7.975 -8.448 1.00 70.33 H new ATOM 0 HG13 ILE A 11 6.429 -7.153 -9.368 1.00 70.33 H new ATOM 0 HG21 ILE A 11 2.729 -7.793 -9.677 1.00 41.15 H new ATOM 0 HG22 ILE A 11 2.936 -8.734 -11.174 1.00 41.15 H new ATOM 0 HG23 ILE A 11 3.621 -9.333 -9.644 1.00 41.15 H new ATOM 0 HD11 ILE A 11 5.335 -5.619 -7.808 1.00 73.13 H new ATOM 0 HD12 ILE A 11 5.022 -5.129 -9.490 1.00 73.13 H new ATOM 0 HD13 ILE A 11 3.757 -5.963 -8.556 1.00 73.13 H new ATOM 168 N GLU A 12 4.680 -8.398 -13.515 1.00 22.33 N ATOM 169 CA GLU A 12 3.980 -8.863 -14.707 1.00 3.24 C ATOM 170 C GLU A 12 4.924 -9.633 -15.626 1.00 52.11 C ATOM 171 O GLU A 12 4.484 -10.398 -16.484 1.00 61.13 O ATOM 172 CB GLU A 12 3.369 -7.679 -15.460 1.00 64.40 C ATOM 173 CG GLU A 12 2.087 -7.156 -14.834 1.00 45.05 C ATOM 174 CD GLU A 12 1.231 -6.384 -15.819 1.00 75.42 C ATOM 175 OE1 GLU A 12 1.185 -6.781 -17.003 1.00 12.13 O ATOM 176 OE2 GLU A 12 0.606 -5.385 -15.407 1.00 42.31 O ATOM 0 H GLU A 12 4.951 -7.415 -13.541 1.00 22.33 H new ATOM 0 HA GLU A 12 3.182 -9.534 -14.391 1.00 3.24 H new ATOM 0 HB2 GLU A 12 4.099 -6.871 -15.502 1.00 64.40 H new ATOM 0 HB3 GLU A 12 3.165 -7.979 -16.488 1.00 64.40 H new ATOM 0 HG2 GLU A 12 1.513 -7.993 -14.437 1.00 45.05 H new ATOM 0 HG3 GLU A 12 2.335 -6.512 -13.991 1.00 45.05 H new ATOM 183 N SER A 13 6.223 -9.424 -15.440 1.00 42.22 N ATOM 184 CA SER A 13 7.230 -10.094 -16.255 1.00 74.31 C ATOM 185 C SER A 13 7.684 -11.394 -15.597 1.00 54.14 C ATOM 186 O SER A 13 8.487 -12.138 -16.158 1.00 24.21 O ATOM 187 CB SER A 13 8.432 -9.175 -16.477 1.00 51.32 C ATOM 188 OG SER A 13 9.145 -9.541 -17.646 1.00 2.14 O ATOM 0 H SER A 13 6.603 -8.796 -14.732 1.00 42.22 H new ATOM 0 HA SER A 13 6.781 -10.332 -17.219 1.00 74.31 H new ATOM 0 HB2 SER A 13 8.093 -8.142 -16.562 1.00 51.32 H new ATOM 0 HB3 SER A 13 9.095 -9.223 -15.613 1.00 51.32 H new ATOM 0 HG SER A 13 9.258 -10.514 -17.669 1.00 2.14 H new ATOM 194 N ALA A 14 7.162 -11.659 -14.404 1.00 60.42 N ATOM 195 CA ALA A 14 7.511 -12.869 -13.670 1.00 22.21 C ATOM 196 C ALA A 14 6.275 -13.717 -13.389 1.00 42.11 C ATOM 197 O ALA A 14 6.374 -14.927 -13.182 1.00 73.20 O ATOM 198 CB ALA A 14 8.215 -12.512 -12.369 1.00 65.43 C ATOM 0 H ALA A 14 6.496 -11.052 -13.925 1.00 60.42 H new ATOM 0 HA ALA A 14 8.189 -13.457 -14.289 1.00 22.21 H new ATOM 0 HB1 ALA A 14 8.470 -13.425 -11.831 1.00 65.43 H new ATOM 0 HB2 ALA A 14 9.125 -11.954 -12.589 1.00 65.43 H new ATOM 0 HB3 ALA A 14 7.555 -11.901 -11.754 1.00 65.43 H new ATOM 204 N LEU A 15 5.112 -13.075 -13.383 1.00 2.12 N ATOM 205 CA LEU A 15 3.856 -13.770 -13.127 1.00 33.35 C ATOM 206 C LEU A 15 3.725 -15.003 -14.015 1.00 34.20 C ATOM 207 O LEU A 15 3.794 -16.135 -13.537 1.00 23.40 O ATOM 208 CB LEU A 15 2.672 -12.830 -13.362 1.00 4.12 C ATOM 209 CG LEU A 15 2.159 -12.076 -12.134 1.00 64.50 C ATOM 210 CD1 LEU A 15 1.412 -10.820 -12.553 1.00 3.24 C ATOM 211 CD2 LEU A 15 1.266 -12.975 -11.292 1.00 35.01 C ATOM 0 H LEU A 15 5.013 -12.074 -13.553 1.00 2.12 H new ATOM 0 HA LEU A 15 3.854 -14.093 -12.086 1.00 33.35 H new ATOM 0 HB2 LEU A 15 2.959 -12.099 -14.119 1.00 4.12 H new ATOM 0 HB3 LEU A 15 1.849 -13.412 -13.776 1.00 4.12 H new ATOM 0 HG LEU A 15 3.015 -11.779 -11.529 1.00 64.50 H new ATOM 0 HD11 LEU A 15 1.054 -10.297 -11.666 1.00 3.24 H new ATOM 0 HD12 LEU A 15 2.082 -10.168 -13.114 1.00 3.24 H new ATOM 0 HD13 LEU A 15 0.563 -11.094 -13.180 1.00 3.24 H new ATOM 0 HD21 LEU A 15 0.910 -12.423 -10.422 1.00 35.01 H new ATOM 0 HD22 LEU A 15 0.414 -13.302 -11.888 1.00 35.01 H new ATOM 0 HD23 LEU A 15 1.833 -13.845 -10.962 1.00 35.01 H new ATOM 223 N SER A 16 3.537 -14.775 -15.311 1.00 35.11 N ATOM 224 CA SER A 16 3.394 -15.867 -16.267 1.00 23.35 C ATOM 225 C SER A 16 4.646 -16.002 -17.128 1.00 40.54 C ATOM 226 O SER A 16 4.562 -16.107 -18.352 1.00 3.50 O ATOM 227 CB SER A 16 2.171 -15.639 -17.156 1.00 51.42 C ATOM 228 OG SER A 16 1.005 -16.194 -16.573 1.00 20.22 O ATOM 0 H SER A 16 3.480 -13.844 -15.723 1.00 35.11 H new ATOM 0 HA SER A 16 3.258 -16.792 -15.707 1.00 23.35 H new ATOM 0 HB2 SER A 16 2.028 -14.570 -17.316 1.00 51.42 H new ATOM 0 HB3 SER A 16 2.341 -16.088 -18.135 1.00 51.42 H new ATOM 0 HG SER A 16 1.249 -16.975 -16.034 1.00 20.22 H new ATOM 234 N SER A 17 5.806 -15.997 -16.480 1.00 64.21 N ATOM 235 CA SER A 17 7.077 -16.114 -17.186 1.00 71.42 C ATOM 236 C SER A 17 7.904 -17.268 -16.628 1.00 21.50 C ATOM 237 O SER A 17 8.479 -18.056 -17.381 1.00 13.21 O ATOM 238 CB SER A 17 7.866 -14.808 -17.080 1.00 21.11 C ATOM 239 OG SER A 17 9.161 -15.036 -16.551 1.00 71.21 O ATOM 0 H SER A 17 5.892 -15.913 -15.467 1.00 64.21 H new ATOM 0 HA SER A 17 6.864 -16.317 -18.236 1.00 71.42 H new ATOM 0 HB2 SER A 17 7.948 -14.348 -18.065 1.00 21.11 H new ATOM 0 HB3 SER A 17 7.328 -14.105 -16.444 1.00 21.11 H new ATOM 0 HG SER A 17 9.512 -14.202 -16.175 1.00 71.21 H new ATOM 245 N CYS A 18 7.960 -17.362 -15.304 1.00 54.21 N ATOM 246 CA CYS A 18 8.717 -18.419 -14.643 1.00 40.23 C ATOM 247 C CYS A 18 7.782 -19.446 -14.014 1.00 35.00 C ATOM 248 O CYS A 18 8.087 -20.018 -12.968 1.00 15.32 O ATOM 249 CB CYS A 18 9.635 -17.825 -13.574 1.00 42.21 C ATOM 250 SG CYS A 18 10.723 -16.514 -14.181 1.00 20.13 S ATOM 0 H CYS A 18 7.490 -16.719 -14.667 1.00 54.21 H new ATOM 0 HA CYS A 18 9.325 -18.921 -15.395 1.00 40.23 H new ATOM 0 HB2 CYS A 18 9.023 -17.428 -12.764 1.00 42.21 H new ATOM 0 HB3 CYS A 18 10.246 -18.622 -13.151 1.00 42.21 H new ATOM 0 HG CYS A 18 10.137 -15.878 -15.152 1.00 20.13 H new ATOM 256 N GLN A 19 6.641 -19.673 -14.658 1.00 64.32 N ATOM 257 CA GLN A 19 5.660 -20.630 -14.160 1.00 4.14 C ATOM 258 C GLN A 19 5.177 -21.547 -15.278 1.00 62.22 C ATOM 259 O GLN A 19 4.005 -21.919 -15.326 1.00 63.31 O ATOM 260 CB GLN A 19 4.472 -19.896 -13.537 1.00 12.23 C ATOM 261 CG GLN A 19 3.729 -19.000 -14.515 1.00 45.11 C ATOM 262 CD GLN A 19 2.340 -18.633 -14.032 1.00 4.44 C ATOM 263 OE1 GLN A 19 1.374 -18.678 -14.793 1.00 15.32 O ATOM 264 NE2 GLN A 19 2.234 -18.266 -12.760 1.00 34.33 N ATOM 0 H GLN A 19 6.374 -19.207 -15.525 1.00 64.32 H new ATOM 0 HA GLN A 19 6.141 -21.242 -13.397 1.00 4.14 H new ATOM 0 HB2 GLN A 19 3.776 -20.629 -13.128 1.00 12.23 H new ATOM 0 HB3 GLN A 19 4.826 -19.292 -12.701 1.00 12.23 H new ATOM 0 HG2 GLN A 19 4.305 -18.089 -14.677 1.00 45.11 H new ATOM 0 HG3 GLN A 19 3.653 -19.505 -15.478 1.00 45.11 H new ATOM 0 HE21 GLN A 19 3.062 -18.243 -12.165 1.00 34.33 H new ATOM 0 HE22 GLN A 19 1.324 -18.007 -12.378 1.00 34.33 H new ATOM 273 N ALA A 20 6.088 -21.908 -16.176 1.00 42.52 N ATOM 274 CA ALA A 20 5.755 -22.782 -17.293 1.00 61.55 C ATOM 275 C ALA A 20 6.471 -24.124 -17.173 1.00 10.51 C ATOM 276 O ALA A 20 7.242 -24.344 -16.240 1.00 21.43 O ATOM 277 CB ALA A 20 6.107 -22.111 -18.613 1.00 32.03 C ATOM 0 H ALA A 20 7.063 -21.608 -16.151 1.00 42.52 H new ATOM 0 HA ALA A 20 4.681 -22.968 -17.268 1.00 61.55 H new ATOM 0 HB1 ALA A 20 5.853 -22.776 -19.438 1.00 32.03 H new ATOM 0 HB2 ALA A 20 5.546 -21.182 -18.710 1.00 32.03 H new ATOM 0 HB3 ALA A 20 7.175 -21.894 -18.638 1.00 32.03 H new ATOM 283 N ALA A 21 6.210 -25.016 -18.122 1.00 52.14 N ATOM 284 CA ALA A 21 6.830 -26.335 -18.123 1.00 4.22 C ATOM 285 C ALA A 21 8.283 -26.258 -18.579 1.00 43.33 C ATOM 286 O ALA A 21 9.078 -27.157 -18.306 1.00 23.20 O ATOM 287 CB ALA A 21 6.045 -27.287 -19.013 1.00 23.24 C ATOM 0 H ALA A 21 5.573 -24.849 -18.901 1.00 52.14 H new ATOM 0 HA ALA A 21 6.817 -26.716 -17.102 1.00 4.22 H new ATOM 0 HB1 ALA A 21 6.520 -28.268 -19.004 1.00 23.24 H new ATOM 0 HB2 ALA A 21 5.024 -27.374 -18.641 1.00 23.24 H new ATOM 0 HB3 ALA A 21 6.028 -26.901 -20.032 1.00 23.24 H new ATOM 293 N ASP A 22 8.623 -25.179 -19.276 1.00 60.02 N ATOM 294 CA ASP A 22 9.981 -24.985 -19.771 1.00 1.44 C ATOM 295 C ASP A 22 10.291 -23.500 -19.940 1.00 34.43 C ATOM 296 O ASP A 22 10.844 -23.084 -20.957 1.00 51.52 O ATOM 297 CB ASP A 22 10.171 -25.713 -21.102 1.00 42.20 C ATOM 298 CG ASP A 22 9.022 -25.475 -22.061 1.00 53.24 C ATOM 299 OD1 ASP A 22 8.368 -24.416 -21.954 1.00 3.41 O ATOM 300 OD2 ASP A 22 8.776 -26.347 -22.920 1.00 72.12 O ATOM 0 H ASP A 22 7.977 -24.425 -19.511 1.00 60.02 H new ATOM 0 HA ASP A 22 10.671 -25.401 -19.037 1.00 1.44 H new ATOM 0 HB2 ASP A 22 11.101 -25.382 -21.564 1.00 42.20 H new ATOM 0 HB3 ASP A 22 10.270 -26.783 -20.917 1.00 42.20 H new ATOM 305 N SER A 23 9.929 -22.708 -18.936 1.00 53.51 N ATOM 306 CA SER A 23 10.163 -21.269 -18.976 1.00 1.23 C ATOM 307 C SER A 23 11.103 -20.840 -17.853 1.00 34.45 C ATOM 308 O SER A 23 11.849 -19.871 -17.988 1.00 44.11 O ATOM 309 CB SER A 23 8.838 -20.512 -18.865 1.00 4.43 C ATOM 310 OG SER A 23 8.301 -20.614 -17.558 1.00 15.13 O ATOM 0 H SER A 23 9.473 -23.038 -18.085 1.00 53.51 H new ATOM 0 HA SER A 23 10.632 -21.028 -19.930 1.00 1.23 H new ATOM 0 HB2 SER A 23 8.993 -19.463 -19.117 1.00 4.43 H new ATOM 0 HB3 SER A 23 8.126 -20.912 -19.587 1.00 4.43 H new ATOM 0 HG SER A 23 8.023 -19.727 -17.249 1.00 15.13 H new ATOM 316 N PHE A 24 11.059 -21.570 -16.743 1.00 22.12 N ATOM 317 CA PHE A 24 11.905 -21.266 -15.594 1.00 61.35 C ATOM 318 C PHE A 24 13.381 -21.310 -15.979 1.00 50.25 C ATOM 319 O PHE A 24 14.016 -22.362 -15.927 1.00 2.12 O ATOM 320 CB PHE A 24 11.633 -22.255 -14.458 1.00 44.54 C ATOM 321 CG PHE A 24 11.722 -21.636 -13.092 1.00 74.53 C ATOM 322 CD1 PHE A 24 12.902 -21.059 -12.654 1.00 24.24 C ATOM 323 CD2 PHE A 24 10.624 -21.632 -12.247 1.00 72.21 C ATOM 324 CE1 PHE A 24 12.986 -20.491 -11.397 1.00 3.53 C ATOM 325 CE2 PHE A 24 10.702 -21.065 -10.989 1.00 54.42 C ATOM 326 CZ PHE A 24 11.884 -20.492 -10.564 1.00 63.10 C ATOM 0 H PHE A 24 10.447 -22.376 -16.615 1.00 22.12 H new ATOM 0 HA PHE A 24 11.666 -20.258 -15.254 1.00 61.35 H new ATOM 0 HB2 PHE A 24 10.640 -22.684 -14.590 1.00 44.54 H new ATOM 0 HB3 PHE A 24 12.346 -23.077 -14.523 1.00 44.54 H new ATOM 0 HD1 PHE A 24 13.766 -21.053 -13.302 1.00 24.24 H new ATOM 0 HD2 PHE A 24 9.696 -22.077 -12.575 1.00 72.21 H new ATOM 0 HE1 PHE A 24 13.913 -20.046 -11.066 1.00 3.53 H new ATOM 0 HE2 PHE A 24 9.839 -21.070 -10.339 1.00 54.42 H new ATOM 0 HZ PHE A 24 11.947 -20.046 -9.583 1.00 63.10 H new ATOM 336 N ASN A 25 13.919 -20.158 -16.367 1.00 64.12 N ATOM 337 CA ASN A 25 15.320 -20.064 -16.763 1.00 0.05 C ATOM 338 C ASN A 25 16.175 -19.537 -15.614 1.00 62.30 C ATOM 339 O ASN A 25 15.696 -18.789 -14.762 1.00 31.13 O ATOM 340 CB ASN A 25 15.467 -19.152 -17.982 1.00 61.24 C ATOM 341 CG ASN A 25 16.910 -19.005 -18.424 1.00 24.51 C ATOM 342 OD1 ASN A 25 17.370 -17.904 -18.724 1.00 44.30 O ATOM 343 ND2 ASN A 25 17.632 -20.119 -18.466 1.00 24.34 N ATOM 0 H ASN A 25 13.407 -19.277 -16.416 1.00 64.12 H new ATOM 0 HA ASN A 25 15.667 -21.064 -17.022 1.00 0.05 H new ATOM 0 HB2 ASN A 25 14.877 -19.553 -18.806 1.00 61.24 H new ATOM 0 HB3 ASN A 25 15.060 -18.168 -17.748 1.00 61.24 H new ATOM 0 HD21 ASN A 25 18.609 -20.083 -18.756 1.00 24.34 H new ATOM 0 HD22 ASN A 25 17.209 -21.011 -18.208 1.00 24.34 H new ATOM 350 N TYR A 26 17.443 -19.933 -15.599 1.00 2.45 N ATOM 351 CA TYR A 26 18.365 -19.502 -14.554 1.00 63.32 C ATOM 352 C TYR A 26 18.567 -17.991 -14.594 1.00 54.53 C ATOM 353 O TYR A 26 18.890 -17.368 -13.583 1.00 3.23 O ATOM 354 CB TYR A 26 19.712 -20.212 -14.709 1.00 54.44 C ATOM 355 CG TYR A 26 20.258 -20.171 -16.118 1.00 63.35 C ATOM 356 CD1 TYR A 26 20.803 -19.005 -16.641 1.00 13.44 C ATOM 357 CD2 TYR A 26 20.231 -21.301 -16.927 1.00 44.24 C ATOM 358 CE1 TYR A 26 21.303 -18.963 -17.928 1.00 34.33 C ATOM 359 CE2 TYR A 26 20.730 -21.269 -18.215 1.00 64.13 C ATOM 360 CZ TYR A 26 21.264 -20.098 -18.711 1.00 24.00 C ATOM 361 OH TYR A 26 21.763 -20.061 -19.993 1.00 73.31 O ATOM 0 H TYR A 26 17.856 -20.551 -16.298 1.00 2.45 H new ATOM 0 HA TYR A 26 17.930 -19.766 -13.590 1.00 63.32 H new ATOM 0 HB2 TYR A 26 20.435 -19.753 -14.034 1.00 54.44 H new ATOM 0 HB3 TYR A 26 19.603 -21.252 -14.400 1.00 54.44 H new ATOM 0 HD1 TYR A 26 20.836 -18.115 -16.030 1.00 13.44 H new ATOM 0 HD2 TYR A 26 19.813 -22.219 -16.542 1.00 44.24 H new ATOM 0 HE1 TYR A 26 21.722 -18.047 -18.319 1.00 34.33 H new ATOM 0 HE2 TYR A 26 20.702 -22.156 -18.830 1.00 64.13 H new ATOM 0 HH TYR A 26 21.661 -20.942 -20.409 1.00 73.31 H new ATOM 371 N LYS A 27 18.372 -17.405 -15.771 1.00 71.43 N ATOM 372 CA LYS A 27 18.529 -15.967 -15.946 1.00 43.53 C ATOM 373 C LYS A 27 17.258 -15.227 -15.543 1.00 14.01 C ATOM 374 O LYS A 27 17.315 -14.119 -15.011 1.00 2.43 O ATOM 375 CB LYS A 27 18.880 -15.644 -17.401 1.00 32.23 C ATOM 376 CG LYS A 27 20.113 -14.771 -17.550 1.00 2.51 C ATOM 377 CD LYS A 27 19.934 -13.735 -18.648 1.00 31.34 C ATOM 378 CE LYS A 27 19.910 -14.381 -20.024 1.00 63.24 C ATOM 379 NZ LYS A 27 21.098 -13.998 -20.837 1.00 60.40 N ATOM 0 H LYS A 27 18.105 -17.906 -16.619 1.00 71.43 H new ATOM 0 HA LYS A 27 19.342 -15.635 -15.300 1.00 43.53 H new ATOM 0 HB2 LYS A 27 19.038 -16.576 -17.943 1.00 32.23 H new ATOM 0 HB3 LYS A 27 18.032 -15.143 -17.868 1.00 32.23 H new ATOM 0 HG2 LYS A 27 20.321 -14.269 -16.605 1.00 2.51 H new ATOM 0 HG3 LYS A 27 20.977 -15.396 -17.776 1.00 2.51 H new ATOM 0 HD2 LYS A 27 19.006 -13.188 -18.486 1.00 31.34 H new ATOM 0 HD3 LYS A 27 20.745 -13.008 -18.600 1.00 31.34 H new ATOM 0 HE2 LYS A 27 19.878 -15.465 -19.916 1.00 63.24 H new ATOM 0 HE3 LYS A 27 19.001 -14.086 -20.548 1.00 63.24 H new ATOM 0 HZ1 LYS A 27 21.045 -14.459 -21.768 1.00 60.40 H new ATOM 0 HZ2 LYS A 27 21.115 -12.966 -20.962 1.00 60.40 H new ATOM 0 HZ3 LYS A 27 21.965 -14.302 -20.349 1.00 60.40 H new ATOM 393 N SER A 28 16.111 -15.848 -15.799 1.00 33.34 N ATOM 394 CA SER A 28 14.825 -15.248 -15.464 1.00 52.40 C ATOM 395 C SER A 28 14.631 -15.186 -13.952 1.00 31.30 C ATOM 396 O SER A 28 14.025 -14.250 -13.430 1.00 24.14 O ATOM 397 CB SER A 28 13.685 -16.042 -16.104 1.00 71.20 C ATOM 398 OG SER A 28 12.666 -15.180 -16.580 1.00 2.43 O ATOM 0 H SER A 28 16.046 -16.767 -16.237 1.00 33.34 H new ATOM 0 HA SER A 28 14.814 -14.231 -15.856 1.00 52.40 H new ATOM 0 HB2 SER A 28 14.073 -16.641 -16.928 1.00 71.20 H new ATOM 0 HB3 SER A 28 13.267 -16.736 -15.375 1.00 71.20 H new ATOM 0 HG SER A 28 11.852 -15.312 -16.051 1.00 2.43 H new ATOM 404 N PHE A 29 15.149 -16.191 -13.254 1.00 63.31 N ATOM 405 CA PHE A 29 15.033 -16.254 -11.802 1.00 1.32 C ATOM 406 C PHE A 29 15.683 -15.036 -11.151 1.00 65.24 C ATOM 407 O PHE A 29 15.241 -14.569 -10.102 1.00 5.33 O ATOM 408 CB PHE A 29 15.679 -17.535 -11.272 1.00 24.32 C ATOM 409 CG PHE A 29 15.784 -17.579 -9.774 1.00 43.31 C ATOM 410 CD1 PHE A 29 16.890 -17.050 -9.128 1.00 40.22 C ATOM 411 CD2 PHE A 29 14.777 -18.149 -9.012 1.00 62.02 C ATOM 412 CE1 PHE A 29 16.990 -17.088 -7.750 1.00 55.21 C ATOM 413 CE2 PHE A 29 14.871 -18.189 -7.634 1.00 30.51 C ATOM 414 CZ PHE A 29 15.979 -17.659 -7.002 1.00 70.41 C ATOM 0 H PHE A 29 15.654 -16.973 -13.671 1.00 63.31 H new ATOM 0 HA PHE A 29 13.973 -16.258 -11.547 1.00 1.32 H new ATOM 0 HB2 PHE A 29 15.099 -18.393 -11.613 1.00 24.32 H new ATOM 0 HB3 PHE A 29 16.676 -17.634 -11.701 1.00 24.32 H new ATOM 0 HD1 PHE A 29 17.683 -16.603 -9.708 1.00 40.22 H new ATOM 0 HD2 PHE A 29 13.909 -18.567 -9.500 1.00 62.02 H new ATOM 0 HE1 PHE A 29 17.857 -16.672 -7.259 1.00 55.21 H new ATOM 0 HE2 PHE A 29 14.078 -18.635 -7.051 1.00 30.51 H new ATOM 0 HZ PHE A 29 16.055 -17.691 -5.925 1.00 70.41 H new ATOM 424 N PHE A 30 16.737 -14.528 -11.782 1.00 54.45 N ATOM 425 CA PHE A 30 17.450 -13.366 -11.265 1.00 51.55 C ATOM 426 C PHE A 30 16.613 -12.099 -11.423 1.00 62.31 C ATOM 427 O PHE A 30 16.610 -11.232 -10.550 1.00 14.04 O ATOM 428 CB PHE A 30 18.788 -13.199 -11.988 1.00 64.10 C ATOM 429 CG PHE A 30 19.690 -14.394 -11.863 1.00 12.01 C ATOM 430 CD1 PHE A 30 19.773 -15.094 -10.670 1.00 0.53 C ATOM 431 CD2 PHE A 30 20.453 -14.818 -12.938 1.00 64.04 C ATOM 432 CE1 PHE A 30 20.602 -16.193 -10.552 1.00 3.12 C ATOM 433 CE2 PHE A 30 21.284 -15.917 -12.827 1.00 22.05 C ATOM 434 CZ PHE A 30 21.358 -16.606 -11.632 1.00 11.12 C ATOM 0 H PHE A 30 17.116 -14.903 -12.652 1.00 54.45 H new ATOM 0 HA PHE A 30 17.636 -13.528 -10.203 1.00 51.55 H new ATOM 0 HB2 PHE A 30 18.600 -13.005 -13.044 1.00 64.10 H new ATOM 0 HB3 PHE A 30 19.301 -12.324 -11.589 1.00 64.10 H new ATOM 0 HD1 PHE A 30 19.183 -14.777 -9.823 1.00 0.53 H new ATOM 0 HD2 PHE A 30 20.398 -14.283 -13.875 1.00 64.04 H new ATOM 0 HE1 PHE A 30 20.659 -16.729 -9.616 1.00 3.12 H new ATOM 0 HE2 PHE A 30 21.874 -16.236 -13.673 1.00 22.05 H new ATOM 0 HZ PHE A 30 22.005 -17.466 -11.542 1.00 11.12 H new ATOM 444 N SER A 31 15.905 -12.001 -12.544 1.00 4.42 N ATOM 445 CA SER A 31 15.068 -10.839 -12.819 1.00 72.12 C ATOM 446 C SER A 31 13.623 -11.101 -12.405 1.00 0.33 C ATOM 447 O SER A 31 12.698 -10.441 -12.880 1.00 43.15 O ATOM 448 CB SER A 31 15.127 -10.482 -14.306 1.00 2.14 C ATOM 449 OG SER A 31 15.702 -11.535 -15.060 1.00 51.45 O ATOM 0 H SER A 31 15.894 -12.712 -13.276 1.00 4.42 H new ATOM 0 HA SER A 31 15.449 -10.001 -12.236 1.00 72.12 H new ATOM 0 HB2 SER A 31 14.122 -10.274 -14.674 1.00 2.14 H new ATOM 0 HB3 SER A 31 15.711 -9.572 -14.442 1.00 2.14 H new ATOM 0 HG SER A 31 15.727 -11.283 -16.007 1.00 51.45 H new ATOM 455 N THR A 32 13.436 -12.069 -11.514 1.00 34.44 N ATOM 456 CA THR A 32 12.105 -12.420 -11.035 1.00 33.52 C ATOM 457 C THR A 32 11.366 -11.193 -10.515 1.00 11.34 C ATOM 458 O THR A 32 11.929 -10.101 -10.443 1.00 44.53 O ATOM 459 CB THR A 32 12.171 -13.478 -9.917 1.00 13.24 C ATOM 460 OG1 THR A 32 10.854 -13.952 -9.612 1.00 42.22 O ATOM 461 CG2 THR A 32 12.810 -12.900 -8.663 1.00 32.32 C ATOM 0 H THR A 32 14.190 -12.624 -11.109 1.00 34.44 H new ATOM 0 HA THR A 32 11.563 -12.834 -11.885 1.00 33.52 H new ATOM 0 HB THR A 32 12.783 -14.309 -10.269 1.00 13.24 H new ATOM 0 HG1 THR A 32 10.905 -14.625 -8.902 1.00 42.22 H new ATOM 0 HG21 THR A 32 12.846 -13.665 -7.887 1.00 32.32 H new ATOM 0 HG22 THR A 32 13.822 -12.567 -8.891 1.00 32.32 H new ATOM 0 HG23 THR A 32 12.220 -12.054 -8.311 1.00 32.32 H new ATOM 469 N VAL A 33 10.101 -11.379 -10.151 1.00 52.22 N ATOM 470 CA VAL A 33 9.285 -10.286 -9.635 1.00 70.14 C ATOM 471 C VAL A 33 10.000 -9.551 -8.507 1.00 63.33 C ATOM 472 O VAL A 33 9.744 -8.374 -8.259 1.00 4.21 O ATOM 473 CB VAL A 33 7.925 -10.795 -9.121 1.00 25.23 C ATOM 474 CG1 VAL A 33 8.115 -12.004 -8.217 1.00 61.11 C ATOM 475 CG2 VAL A 33 7.183 -9.686 -8.392 1.00 12.33 C ATOM 0 H VAL A 33 9.619 -12.276 -10.204 1.00 52.22 H new ATOM 0 HA VAL A 33 9.117 -9.598 -10.464 1.00 70.14 H new ATOM 0 HB VAL A 33 7.324 -11.102 -9.977 1.00 25.23 H new ATOM 0 HG11 VAL A 33 7.144 -12.350 -7.863 1.00 61.11 H new ATOM 0 HG12 VAL A 33 8.603 -12.803 -8.775 1.00 61.11 H new ATOM 0 HG13 VAL A 33 8.734 -11.727 -7.364 1.00 61.11 H new ATOM 0 HG21 VAL A 33 6.224 -10.063 -8.036 1.00 12.33 H new ATOM 0 HG22 VAL A 33 7.778 -9.347 -7.544 1.00 12.33 H new ATOM 0 HG23 VAL A 33 7.014 -8.852 -9.073 1.00 12.33 H new ATOM 485 N GLY A 34 10.900 -10.255 -7.826 1.00 73.25 N ATOM 486 CA GLY A 34 11.639 -9.653 -6.732 1.00 62.34 C ATOM 487 C GLY A 34 11.034 -9.971 -5.380 1.00 13.45 C ATOM 488 O GLY A 34 11.112 -9.165 -4.451 1.00 50.44 O ATOM 0 H GLY A 34 11.130 -11.231 -8.013 1.00 73.25 H new ATOM 0 HA2 GLY A 34 12.670 -10.005 -6.757 1.00 62.34 H new ATOM 0 HA3 GLY A 34 11.668 -8.572 -6.869 1.00 62.34 H new ATOM 492 N LEU A 35 10.426 -11.147 -5.266 1.00 45.32 N ATOM 493 CA LEU A 35 9.803 -11.569 -4.017 1.00 10.44 C ATOM 494 C LEU A 35 10.396 -12.887 -3.530 1.00 3.32 C ATOM 495 O LEU A 35 10.702 -13.042 -2.348 1.00 25.23 O ATOM 496 CB LEU A 35 8.291 -11.714 -4.202 1.00 5.14 C ATOM 497 CG LEU A 35 7.421 -11.173 -3.066 1.00 63.44 C ATOM 498 CD1 LEU A 35 6.004 -11.714 -3.176 1.00 62.31 C ATOM 499 CD2 LEU A 35 8.026 -11.527 -1.716 1.00 22.53 C ATOM 0 H LEU A 35 10.351 -11.825 -6.024 1.00 45.32 H new ATOM 0 HA LEU A 35 9.999 -10.804 -3.265 1.00 10.44 H new ATOM 0 HB2 LEU A 35 8.007 -11.206 -5.124 1.00 5.14 H new ATOM 0 HB3 LEU A 35 8.061 -12.771 -4.337 1.00 5.14 H new ATOM 0 HG LEU A 35 7.381 -10.087 -3.150 1.00 63.44 H new ATOM 0 HD11 LEU A 35 5.399 -11.319 -2.360 1.00 62.31 H new ATOM 0 HD12 LEU A 35 5.571 -11.409 -4.129 1.00 62.31 H new ATOM 0 HD13 LEU A 35 6.025 -12.802 -3.118 1.00 62.31 H new ATOM 0 HD21 LEU A 35 7.394 -11.134 -0.920 1.00 22.53 H new ATOM 0 HD22 LEU A 35 8.097 -12.611 -1.622 1.00 22.53 H new ATOM 0 HD23 LEU A 35 9.022 -11.090 -1.638 1.00 22.53 H new ATOM 511 N SER A 36 10.558 -13.833 -4.450 1.00 12.44 N ATOM 512 CA SER A 36 11.113 -15.138 -4.114 1.00 23.41 C ATOM 513 C SER A 36 12.602 -15.030 -3.797 1.00 72.42 C ATOM 514 O SER A 36 13.191 -15.939 -3.212 1.00 33.03 O ATOM 515 CB SER A 36 10.896 -16.120 -5.267 1.00 34.43 C ATOM 516 OG SER A 36 11.743 -17.250 -5.142 1.00 15.45 O ATOM 0 H SER A 36 10.313 -13.719 -5.434 1.00 12.44 H new ATOM 0 HA SER A 36 10.596 -15.508 -3.228 1.00 23.41 H new ATOM 0 HB2 SER A 36 9.855 -16.442 -5.283 1.00 34.43 H new ATOM 0 HB3 SER A 36 11.090 -15.620 -6.216 1.00 34.43 H new ATOM 0 HG SER A 36 11.433 -17.811 -4.401 1.00 15.45 H new ATOM 522 N SER A 37 13.204 -13.912 -4.189 1.00 21.02 N ATOM 523 CA SER A 37 14.625 -13.685 -3.951 1.00 33.22 C ATOM 524 C SER A 37 14.833 -12.582 -2.918 1.00 42.21 C ATOM 525 O SER A 37 15.893 -11.957 -2.864 1.00 73.13 O ATOM 526 CB SER A 37 15.330 -13.316 -5.257 1.00 71.34 C ATOM 527 OG SER A 37 15.031 -11.985 -5.640 1.00 3.23 O ATOM 0 H SER A 37 12.730 -13.149 -4.673 1.00 21.02 H new ATOM 0 HA SER A 37 15.055 -14.608 -3.563 1.00 33.22 H new ATOM 0 HB2 SER A 37 16.407 -13.430 -5.137 1.00 71.34 H new ATOM 0 HB3 SER A 37 15.023 -14.002 -6.046 1.00 71.34 H new ATOM 0 HG SER A 37 15.495 -11.773 -6.477 1.00 3.23 H new ATOM 533 N LYS A 38 13.814 -12.347 -2.099 1.00 11.13 N ATOM 534 CA LYS A 38 13.883 -11.320 -1.066 1.00 31.34 C ATOM 535 C LYS A 38 14.263 -11.928 0.281 1.00 72.11 C ATOM 536 O LYS A 38 14.390 -13.146 0.411 1.00 61.23 O ATOM 537 CB LYS A 38 12.541 -10.594 -0.949 1.00 32.22 C ATOM 538 CG LYS A 38 12.397 -9.424 -1.906 1.00 61.05 C ATOM 539 CD LYS A 38 13.253 -8.244 -1.478 1.00 20.14 C ATOM 540 CE LYS A 38 13.095 -7.066 -2.427 1.00 70.52 C ATOM 541 NZ LYS A 38 14.379 -6.717 -3.096 1.00 11.23 N ATOM 0 H LYS A 38 12.930 -12.854 -2.130 1.00 11.13 H new ATOM 0 HA LYS A 38 14.653 -10.604 -1.352 1.00 31.34 H new ATOM 0 HB2 LYS A 38 11.736 -11.305 -1.134 1.00 32.22 H new ATOM 0 HB3 LYS A 38 12.420 -10.234 0.073 1.00 32.22 H new ATOM 0 HG2 LYS A 38 12.683 -9.737 -2.910 1.00 61.05 H new ATOM 0 HG3 LYS A 38 11.352 -9.118 -1.953 1.00 61.05 H new ATOM 0 HD2 LYS A 38 12.975 -7.939 -0.469 1.00 20.14 H new ATOM 0 HD3 LYS A 38 14.300 -8.546 -1.443 1.00 20.14 H new ATOM 0 HE2 LYS A 38 12.346 -7.305 -3.182 1.00 70.52 H new ATOM 0 HE3 LYS A 38 12.726 -6.202 -1.875 1.00 70.52 H new ATOM 0 HZ1 LYS A 38 14.230 -5.910 -3.734 1.00 11.23 H new ATOM 0 HZ2 LYS A 38 15.087 -6.464 -2.378 1.00 11.23 H new ATOM 0 HZ3 LYS A 38 14.718 -7.533 -3.644 1.00 11.23 H new ATOM 555 N THR A 39 14.442 -11.072 1.282 1.00 33.13 N ATOM 556 CA THR A 39 14.807 -11.525 2.619 1.00 55.33 C ATOM 557 C THR A 39 13.572 -11.913 3.424 1.00 52.01 C ATOM 558 O THR A 39 12.459 -11.460 3.156 1.00 74.42 O ATOM 559 CB THR A 39 15.586 -10.440 3.386 1.00 14.11 C ATOM 560 OG1 THR A 39 16.842 -10.962 3.832 1.00 21.01 O ATOM 561 CG2 THR A 39 14.785 -9.941 4.580 1.00 63.31 C ATOM 0 H THR A 39 14.340 -10.061 1.192 1.00 33.13 H new ATOM 0 HA THR A 39 15.445 -12.400 2.494 1.00 55.33 H new ATOM 0 HB THR A 39 15.761 -9.603 2.710 1.00 14.11 H new ATOM 0 HG1 THR A 39 17.332 -10.266 4.317 1.00 21.01 H new ATOM 0 HG21 THR A 39 15.355 -9.175 5.106 1.00 63.31 H new ATOM 0 HG22 THR A 39 13.842 -9.518 4.234 1.00 63.31 H new ATOM 0 HG23 THR A 39 14.583 -10.772 5.256 1.00 63.31 H new ATOM 569 N PRO A 40 13.770 -12.771 4.436 1.00 72.04 N ATOM 570 CA PRO A 40 12.683 -13.238 5.302 1.00 62.13 C ATOM 571 C PRO A 40 12.152 -12.135 6.211 1.00 22.53 C ATOM 572 O PRO A 40 12.421 -12.126 7.413 1.00 52.22 O ATOM 573 CB PRO A 40 13.341 -14.345 6.130 1.00 14.42 C ATOM 574 CG PRO A 40 14.790 -14.001 6.139 1.00 1.53 C ATOM 575 CD PRO A 40 15.070 -13.351 4.812 1.00 11.14 C ATOM 0 HA PRO A 40 11.819 -13.573 4.728 1.00 62.13 H new ATOM 0 HB2 PRO A 40 12.935 -14.377 7.141 1.00 14.42 H new ATOM 0 HB3 PRO A 40 13.170 -15.326 5.687 1.00 14.42 H new ATOM 0 HG2 PRO A 40 15.026 -13.326 6.962 1.00 1.53 H new ATOM 0 HG3 PRO A 40 15.402 -14.893 6.273 1.00 1.53 H new ATOM 0 HD2 PRO A 40 15.843 -12.587 4.894 1.00 11.14 H new ATOM 0 HD3 PRO A 40 15.415 -14.075 4.074 1.00 11.14 H new ATOM 583 N ASP A 41 11.398 -11.209 5.631 1.00 14.23 N ATOM 584 CA ASP A 41 10.827 -10.102 6.391 1.00 43.14 C ATOM 585 C ASP A 41 9.934 -9.239 5.505 1.00 43.40 C ATOM 586 O ASP A 41 8.842 -8.841 5.910 1.00 44.33 O ATOM 587 CB ASP A 41 11.940 -9.248 7.001 1.00 15.14 C ATOM 588 CG ASP A 41 11.618 -8.804 8.415 1.00 43.32 C ATOM 589 OD1 ASP A 41 11.713 -9.641 9.337 1.00 65.25 O ATOM 590 OD2 ASP A 41 11.272 -7.618 8.599 1.00 25.25 O ATOM 0 H ASP A 41 11.167 -11.202 4.637 1.00 14.23 H new ATOM 0 HA ASP A 41 10.218 -10.519 7.193 1.00 43.14 H new ATOM 0 HB2 ASP A 41 12.870 -9.816 7.004 1.00 15.14 H new ATOM 0 HB3 ASP A 41 12.105 -8.370 6.376 1.00 15.14 H new ATOM 595 N GLN A 42 10.407 -8.953 4.296 1.00 2.32 N ATOM 596 CA GLN A 42 9.652 -8.135 3.355 1.00 53.23 C ATOM 597 C GLN A 42 8.572 -8.959 2.662 1.00 71.52 C ATOM 598 O GLN A 42 7.635 -8.410 2.082 1.00 74.41 O ATOM 599 CB GLN A 42 10.589 -7.522 2.313 1.00 51.41 C ATOM 600 CG GLN A 42 11.859 -6.935 2.908 1.00 52.45 C ATOM 601 CD GLN A 42 11.583 -6.021 4.085 1.00 4.24 C ATOM 602 OE1 GLN A 42 11.387 -6.481 5.210 1.00 30.24 O ATOM 603 NE2 GLN A 42 11.568 -4.717 3.833 1.00 73.32 N ATOM 0 H GLN A 42 11.309 -9.276 3.946 1.00 2.32 H new ATOM 0 HA GLN A 42 9.169 -7.334 3.915 1.00 53.23 H new ATOM 0 HB2 GLN A 42 10.859 -8.287 1.584 1.00 51.41 H new ATOM 0 HB3 GLN A 42 10.056 -6.740 1.772 1.00 51.41 H new ATOM 0 HG2 GLN A 42 12.514 -7.745 3.228 1.00 52.45 H new ATOM 0 HG3 GLN A 42 12.393 -6.378 2.138 1.00 52.45 H new ATOM 0 HE21 GLN A 42 11.736 -4.379 2.885 1.00 73.32 H new ATOM 0 HE22 GLN A 42 11.389 -4.054 4.587 1.00 73.32 H new ATOM 612 N ILE A 43 8.710 -10.279 2.726 1.00 62.41 N ATOM 613 CA ILE A 43 7.746 -11.179 2.105 1.00 32.02 C ATOM 614 C ILE A 43 6.400 -11.119 2.819 1.00 55.02 C ATOM 615 O ILE A 43 5.358 -10.930 2.189 1.00 23.15 O ATOM 616 CB ILE A 43 8.251 -12.634 2.107 1.00 12.04 C ATOM 617 CG1 ILE A 43 9.550 -12.747 1.308 1.00 43.05 C ATOM 618 CG2 ILE A 43 7.190 -13.564 1.538 1.00 14.23 C ATOM 619 CD1 ILE A 43 10.174 -14.124 1.360 1.00 5.22 C ATOM 0 H ILE A 43 9.480 -10.749 3.202 1.00 62.41 H new ATOM 0 HA ILE A 43 7.623 -10.847 1.074 1.00 32.02 H new ATOM 0 HB ILE A 43 8.453 -12.931 3.136 1.00 12.04 H new ATOM 0 HG12 ILE A 43 9.351 -12.486 0.268 1.00 43.05 H new ATOM 0 HG13 ILE A 43 10.266 -12.018 1.689 1.00 43.05 H new ATOM 0 HG21 ILE A 43 7.562 -14.589 1.546 1.00 14.23 H new ATOM 0 HG22 ILE A 43 6.287 -13.501 2.146 1.00 14.23 H new ATOM 0 HG23 ILE A 43 6.960 -13.270 0.514 1.00 14.23 H new ATOM 0 HD11 ILE A 43 11.091 -14.130 0.771 1.00 5.22 H new ATOM 0 HD12 ILE A 43 10.405 -14.380 2.394 1.00 5.22 H new ATOM 0 HD13 ILE A 43 9.476 -14.855 0.952 1.00 5.22 H new ATOM 631 N LYS A 44 6.427 -11.279 4.138 1.00 65.25 N ATOM 632 CA LYS A 44 5.210 -11.240 4.939 1.00 24.35 C ATOM 633 C LYS A 44 4.433 -9.952 4.687 1.00 25.12 C ATOM 634 O LYS A 44 3.204 -9.934 4.751 1.00 41.43 O ATOM 635 CB LYS A 44 5.551 -11.360 6.427 1.00 71.14 C ATOM 636 CG LYS A 44 6.716 -10.486 6.856 1.00 3.21 C ATOM 637 CD LYS A 44 6.754 -10.309 8.365 1.00 42.22 C ATOM 638 CE LYS A 44 5.985 -9.071 8.800 1.00 32.23 C ATOM 639 NZ LYS A 44 5.459 -9.205 10.187 1.00 13.41 N ATOM 0 H LYS A 44 7.280 -11.437 4.675 1.00 65.25 H new ATOM 0 HA LYS A 44 4.585 -12.083 4.646 1.00 24.35 H new ATOM 0 HB2 LYS A 44 4.673 -11.094 7.015 1.00 71.14 H new ATOM 0 HB3 LYS A 44 5.785 -12.400 6.655 1.00 71.14 H new ATOM 0 HG2 LYS A 44 7.651 -10.932 6.517 1.00 3.21 H new ATOM 0 HG3 LYS A 44 6.636 -9.511 6.376 1.00 3.21 H new ATOM 0 HD2 LYS A 44 6.330 -11.190 8.847 1.00 42.22 H new ATOM 0 HD3 LYS A 44 7.789 -10.231 8.697 1.00 42.22 H new ATOM 0 HE2 LYS A 44 6.637 -8.199 8.741 1.00 32.23 H new ATOM 0 HE3 LYS A 44 5.157 -8.897 8.113 1.00 32.23 H new ATOM 0 HZ1 LYS A 44 4.941 -8.341 10.447 1.00 13.41 H new ATOM 0 HZ2 LYS A 44 4.817 -10.022 10.238 1.00 13.41 H new ATOM 0 HZ3 LYS A 44 6.251 -9.345 10.847 1.00 13.41 H new ATOM 653 N LYS A 45 5.158 -8.876 4.399 1.00 22.33 N ATOM 654 CA LYS A 45 4.538 -7.584 4.134 1.00 13.33 C ATOM 655 C LYS A 45 3.778 -7.606 2.812 1.00 41.23 C ATOM 656 O LYS A 45 2.800 -6.879 2.634 1.00 61.51 O ATOM 657 CB LYS A 45 5.599 -6.482 4.107 1.00 41.53 C ATOM 658 CG LYS A 45 5.876 -5.870 5.469 1.00 2.20 C ATOM 659 CD LYS A 45 4.984 -4.669 5.733 1.00 14.20 C ATOM 660 CE LYS A 45 3.665 -5.083 6.367 1.00 74.30 C ATOM 661 NZ LYS A 45 3.012 -3.951 7.081 1.00 25.04 N ATOM 0 H LYS A 45 6.176 -8.874 4.343 1.00 22.33 H new ATOM 0 HA LYS A 45 3.830 -7.378 4.936 1.00 13.33 H new ATOM 0 HB2 LYS A 45 6.526 -6.892 3.707 1.00 41.53 H new ATOM 0 HB3 LYS A 45 5.277 -5.696 3.424 1.00 41.53 H new ATOM 0 HG2 LYS A 45 5.718 -6.619 6.245 1.00 2.20 H new ATOM 0 HG3 LYS A 45 6.922 -5.567 5.527 1.00 2.20 H new ATOM 0 HD2 LYS A 45 5.500 -3.968 6.389 1.00 14.20 H new ATOM 0 HD3 LYS A 45 4.790 -4.145 4.797 1.00 14.20 H new ATOM 0 HE2 LYS A 45 2.994 -5.461 5.595 1.00 74.30 H new ATOM 0 HE3 LYS A 45 3.839 -5.901 7.066 1.00 74.30 H new ATOM 0 HZ1 LYS A 45 2.116 -4.275 7.499 1.00 25.04 H new ATOM 0 HZ2 LYS A 45 3.641 -3.607 7.834 1.00 25.04 H new ATOM 0 HZ3 LYS A 45 2.822 -3.180 6.409 1.00 25.04 H new ATOM 675 N VAL A 46 4.234 -8.445 1.887 1.00 55.23 N ATOM 676 CA VAL A 46 3.595 -8.563 0.581 1.00 21.33 C ATOM 677 C VAL A 46 2.359 -9.453 0.653 1.00 62.03 C ATOM 678 O VAL A 46 1.478 -9.380 -0.204 1.00 61.12 O ATOM 679 CB VAL A 46 4.566 -9.135 -0.469 1.00 22.45 C ATOM 680 CG1 VAL A 46 3.866 -9.305 -1.808 1.00 54.30 C ATOM 681 CG2 VAL A 46 5.789 -8.241 -0.606 1.00 52.22 C ATOM 0 H VAL A 46 5.043 -9.053 2.017 1.00 55.23 H new ATOM 0 HA VAL A 46 3.299 -7.558 0.281 1.00 21.33 H new ATOM 0 HB VAL A 46 4.899 -10.117 -0.134 1.00 22.45 H new ATOM 0 HG11 VAL A 46 4.568 -9.710 -2.537 1.00 54.30 H new ATOM 0 HG12 VAL A 46 3.025 -9.989 -1.695 1.00 54.30 H new ATOM 0 HG13 VAL A 46 3.502 -8.337 -2.154 1.00 54.30 H new ATOM 0 HG21 VAL A 46 6.464 -8.660 -1.352 1.00 52.22 H new ATOM 0 HG22 VAL A 46 5.478 -7.244 -0.918 1.00 52.22 H new ATOM 0 HG23 VAL A 46 6.302 -8.177 0.353 1.00 52.22 H new ATOM 691 N PHE A 47 2.300 -10.293 1.681 1.00 64.14 N ATOM 692 CA PHE A 47 1.172 -11.198 1.864 1.00 20.54 C ATOM 693 C PHE A 47 -0.014 -10.469 2.489 1.00 31.50 C ATOM 694 O PHE A 47 -1.168 -10.838 2.272 1.00 24.11 O ATOM 695 CB PHE A 47 1.579 -12.382 2.745 1.00 73.13 C ATOM 696 CG PHE A 47 0.474 -12.874 3.635 1.00 31.24 C ATOM 697 CD1 PHE A 47 -0.574 -13.617 3.116 1.00 61.04 C ATOM 698 CD2 PHE A 47 0.483 -12.594 4.992 1.00 23.43 C ATOM 699 CE1 PHE A 47 -1.592 -14.070 3.933 1.00 71.31 C ATOM 700 CE2 PHE A 47 -0.532 -13.045 5.815 1.00 60.43 C ATOM 701 CZ PHE A 47 -1.571 -13.785 5.284 1.00 25.22 C ATOM 0 H PHE A 47 3.020 -10.366 2.400 1.00 64.14 H new ATOM 0 HA PHE A 47 0.873 -11.569 0.884 1.00 20.54 H new ATOM 0 HB2 PHE A 47 1.913 -13.201 2.108 1.00 73.13 H new ATOM 0 HB3 PHE A 47 2.429 -12.090 3.362 1.00 73.13 H new ATOM 0 HD1 PHE A 47 -0.595 -13.845 2.060 1.00 61.04 H new ATOM 0 HD2 PHE A 47 1.293 -12.016 5.412 1.00 23.43 H new ATOM 0 HE1 PHE A 47 -2.404 -14.647 3.515 1.00 71.31 H new ATOM 0 HE2 PHE A 47 -0.513 -12.819 6.871 1.00 60.43 H new ATOM 0 HZ PHE A 47 -2.365 -14.140 5.924 1.00 25.22 H new ATOM 711 N GLY A 48 0.279 -9.432 3.267 1.00 45.20 N ATOM 712 CA GLY A 48 -0.772 -8.667 3.912 1.00 30.41 C ATOM 713 C GLY A 48 -1.611 -7.885 2.922 1.00 40.35 C ATOM 714 O GLY A 48 -2.652 -7.333 3.279 1.00 31.15 O ATOM 0 H GLY A 48 1.226 -9.108 3.462 1.00 45.20 H new ATOM 0 HA2 GLY A 48 -1.416 -9.343 4.475 1.00 30.41 H new ATOM 0 HA3 GLY A 48 -0.327 -7.978 4.630 1.00 30.41 H new ATOM 718 N ILE A 49 -1.157 -7.835 1.674 1.00 50.42 N ATOM 719 CA ILE A 49 -1.873 -7.113 0.629 1.00 11.13 C ATOM 720 C ILE A 49 -2.846 -8.030 -0.105 1.00 4.13 C ATOM 721 O ILE A 49 -3.741 -7.565 -0.812 1.00 64.31 O ATOM 722 CB ILE A 49 -0.903 -6.490 -0.391 1.00 64.15 C ATOM 723 CG1 ILE A 49 0.236 -5.767 0.330 1.00 3.14 C ATOM 724 CG2 ILE A 49 -1.645 -5.534 -1.313 1.00 1.32 C ATOM 725 CD1 ILE A 49 1.263 -5.170 -0.606 1.00 62.45 C ATOM 0 H ILE A 49 -0.297 -8.286 1.362 1.00 50.42 H new ATOM 0 HA ILE A 49 -2.430 -6.316 1.121 1.00 11.13 H new ATOM 0 HB ILE A 49 -0.475 -7.289 -0.997 1.00 64.15 H new ATOM 0 HG12 ILE A 49 -0.183 -4.974 0.950 1.00 3.14 H new ATOM 0 HG13 ILE A 49 0.732 -6.468 1.001 1.00 3.14 H new ATOM 0 HG21 ILE A 49 -0.945 -5.102 -2.028 1.00 1.32 H new ATOM 0 HG22 ILE A 49 -2.424 -6.077 -1.849 1.00 1.32 H new ATOM 0 HG23 ILE A 49 -2.099 -4.738 -0.723 1.00 1.32 H new ATOM 0 HD11 ILE A 49 2.040 -4.674 -0.025 1.00 62.45 H new ATOM 0 HD12 ILE A 49 1.710 -5.961 -1.208 1.00 62.45 H new ATOM 0 HD13 ILE A 49 0.780 -4.444 -1.261 1.00 62.45 H new ATOM 737 N LEU A 50 -2.666 -9.335 0.069 1.00 4.53 N ATOM 738 CA LEU A 50 -3.529 -10.319 -0.575 1.00 45.41 C ATOM 739 C LEU A 50 -4.816 -10.517 0.219 1.00 42.11 C ATOM 740 O LEU A 50 -5.915 -10.388 -0.320 1.00 32.21 O ATOM 741 CB LEU A 50 -2.794 -11.653 -0.720 1.00 14.23 C ATOM 742 CG LEU A 50 -1.276 -11.570 -0.877 1.00 43.43 C ATOM 743 CD1 LEU A 50 -0.679 -12.959 -1.040 1.00 50.12 C ATOM 744 CD2 LEU A 50 -0.910 -10.688 -2.062 1.00 50.24 C ATOM 0 H LEU A 50 -1.930 -9.736 0.651 1.00 4.53 H new ATOM 0 HA LEU A 50 -3.790 -9.945 -1.565 1.00 45.41 H new ATOM 0 HB2 LEU A 50 -3.016 -12.264 0.155 1.00 14.23 H new ATOM 0 HB3 LEU A 50 -3.200 -12.177 -1.585 1.00 14.23 H new ATOM 0 HG LEU A 50 -0.861 -11.122 0.026 1.00 43.43 H new ATOM 0 HD11 LEU A 50 0.402 -12.880 -1.150 1.00 50.12 H new ATOM 0 HD12 LEU A 50 -0.911 -13.560 -0.161 1.00 50.12 H new ATOM 0 HD13 LEU A 50 -1.100 -13.434 -1.926 1.00 50.12 H new ATOM 0 HD21 LEU A 50 0.175 -10.640 -2.159 1.00 50.24 H new ATOM 0 HD22 LEU A 50 -1.337 -11.107 -2.973 1.00 50.24 H new ATOM 0 HD23 LEU A 50 -1.305 -9.684 -1.904 1.00 50.24 H new ATOM 756 N ASP A 51 -4.671 -10.829 1.502 1.00 11.30 N ATOM 757 CA ASP A 51 -5.822 -11.041 2.372 1.00 72.43 C ATOM 758 C ASP A 51 -6.731 -9.817 2.379 1.00 14.51 C ATOM 759 O ASP A 51 -6.468 -8.833 1.688 1.00 2.33 O ATOM 760 CB ASP A 51 -5.361 -11.358 3.795 1.00 32.42 C ATOM 761 CG ASP A 51 -5.097 -10.108 4.610 1.00 1.32 C ATOM 762 OD1 ASP A 51 -4.132 -9.382 4.289 1.00 72.44 O ATOM 763 OD2 ASP A 51 -5.855 -9.854 5.569 1.00 53.30 O ATOM 0 H ASP A 51 -3.768 -10.941 1.963 1.00 11.30 H new ATOM 0 HA ASP A 51 -6.388 -11.888 1.985 1.00 72.43 H new ATOM 0 HB2 ASP A 51 -6.120 -11.960 4.294 1.00 32.42 H new ATOM 0 HB3 ASP A 51 -4.453 -11.960 3.754 1.00 32.42 H new ATOM 768 N GLN A 52 -7.802 -9.885 3.164 1.00 71.34 N ATOM 769 CA GLN A 52 -8.751 -8.782 3.259 1.00 61.22 C ATOM 770 C GLN A 52 -9.542 -8.856 4.560 1.00 12.35 C ATOM 771 O GLN A 52 -9.704 -7.854 5.258 1.00 43.25 O ATOM 772 CB GLN A 52 -9.707 -8.800 2.065 1.00 12.20 C ATOM 773 CG GLN A 52 -10.001 -10.196 1.541 1.00 22.43 C ATOM 774 CD GLN A 52 -11.261 -10.251 0.700 1.00 30.34 C ATOM 775 OE1 GLN A 52 -12.354 -10.491 1.214 1.00 31.12 O ATOM 776 NE2 GLN A 52 -11.115 -10.029 -0.601 1.00 12.55 N ATOM 0 H GLN A 52 -8.034 -10.692 3.743 1.00 71.34 H new ATOM 0 HA GLN A 52 -8.188 -7.849 3.250 1.00 61.22 H new ATOM 0 HB2 GLN A 52 -10.644 -8.325 2.354 1.00 12.20 H new ATOM 0 HB3 GLN A 52 -9.281 -8.201 1.260 1.00 12.20 H new ATOM 0 HG2 GLN A 52 -9.156 -10.542 0.945 1.00 22.43 H new ATOM 0 HG3 GLN A 52 -10.100 -10.882 2.382 1.00 22.43 H new ATOM 0 HE21 GLN A 52 -10.190 -9.834 -0.984 1.00 12.55 H new ATOM 0 HE22 GLN A 52 -11.928 -10.054 -1.217 1.00 12.55 H new ATOM 785 N ASP A 53 -10.034 -10.047 4.882 1.00 63.33 N ATOM 786 CA ASP A 53 -10.808 -10.252 6.100 1.00 10.24 C ATOM 787 C ASP A 53 -10.990 -11.739 6.385 1.00 32.42 C ATOM 788 O ASP A 53 -12.062 -12.175 6.806 1.00 70.52 O ATOM 789 CB ASP A 53 -12.173 -9.571 5.983 1.00 22.41 C ATOM 790 CG ASP A 53 -12.705 -9.106 7.324 1.00 30.43 C ATOM 791 OD1 ASP A 53 -11.933 -8.490 8.087 1.00 4.22 O ATOM 792 OD2 ASP A 53 -13.894 -9.360 7.612 1.00 41.15 O ATOM 0 H ASP A 53 -9.910 -10.886 4.315 1.00 63.33 H new ATOM 0 HA ASP A 53 -10.258 -9.807 6.929 1.00 10.24 H new ATOM 0 HB2 ASP A 53 -12.093 -8.716 5.311 1.00 22.41 H new ATOM 0 HB3 ASP A 53 -12.884 -10.264 5.534 1.00 22.41 H new ATOM 797 N LYS A 54 -9.936 -12.514 6.152 1.00 35.53 N ATOM 798 CA LYS A 54 -9.979 -13.954 6.384 1.00 45.55 C ATOM 799 C LYS A 54 -9.410 -14.301 7.756 1.00 54.12 C ATOM 800 O LYS A 54 -8.787 -15.347 7.933 1.00 31.52 O ATOM 801 CB LYS A 54 -9.195 -14.689 5.294 1.00 3.02 C ATOM 802 CG LYS A 54 -9.429 -14.137 3.899 1.00 71.34 C ATOM 803 CD LYS A 54 -10.906 -14.129 3.543 1.00 74.41 C ATOM 804 CE LYS A 54 -11.476 -15.539 3.495 1.00 65.14 C ATOM 805 NZ LYS A 54 -12.938 -15.537 3.216 1.00 73.45 N ATOM 0 H LYS A 54 -9.042 -12.170 5.803 1.00 35.53 H new ATOM 0 HA LYS A 54 -11.021 -14.272 6.352 1.00 45.55 H new ATOM 0 HB2 LYS A 54 -8.131 -14.634 5.524 1.00 3.02 H new ATOM 0 HB3 LYS A 54 -9.470 -15.744 5.309 1.00 3.02 H new ATOM 0 HG2 LYS A 54 -9.033 -13.123 3.837 1.00 71.34 H new ATOM 0 HG3 LYS A 54 -8.882 -14.738 3.172 1.00 71.34 H new ATOM 0 HD2 LYS A 54 -11.455 -13.538 4.277 1.00 74.41 H new ATOM 0 HD3 LYS A 54 -11.046 -13.646 2.576 1.00 74.41 H new ATOM 0 HE2 LYS A 54 -10.960 -16.113 2.725 1.00 65.14 H new ATOM 0 HE3 LYS A 54 -11.288 -16.039 4.445 1.00 65.14 H new ATOM 0 HZ1 LYS A 54 -13.304 -16.509 3.275 1.00 73.45 H new ATOM 0 HZ2 LYS A 54 -13.424 -14.941 3.916 1.00 73.45 H new ATOM 0 HZ3 LYS A 54 -13.109 -15.160 2.262 1.00 73.45 H new ATOM 819 N SER A 55 -9.631 -13.417 8.724 1.00 60.03 N ATOM 820 CA SER A 55 -9.139 -13.630 10.080 1.00 43.42 C ATOM 821 C SER A 55 -7.644 -13.937 10.073 1.00 34.03 C ATOM 822 O SER A 55 -7.138 -14.630 10.954 1.00 21.43 O ATOM 823 CB SER A 55 -9.903 -14.773 10.749 1.00 33.31 C ATOM 824 OG SER A 55 -11.176 -14.342 11.198 1.00 54.12 O ATOM 0 H SER A 55 -10.147 -12.547 8.594 1.00 60.03 H new ATOM 0 HA SER A 55 -9.302 -12.714 10.647 1.00 43.42 H new ATOM 0 HB2 SER A 55 -10.022 -15.596 10.045 1.00 33.31 H new ATOM 0 HB3 SER A 55 -9.327 -15.155 11.592 1.00 33.31 H new ATOM 0 HG SER A 55 -11.645 -15.092 11.620 1.00 54.12 H new ATOM 830 N GLY A 56 -6.943 -13.415 9.071 1.00 14.13 N ATOM 831 CA GLY A 56 -5.514 -13.644 8.967 1.00 31.04 C ATOM 832 C GLY A 56 -5.175 -14.768 8.008 1.00 13.14 C ATOM 833 O GLY A 56 -4.282 -14.632 7.172 1.00 20.11 O ATOM 0 H GLY A 56 -7.339 -12.838 8.329 1.00 14.13 H new ATOM 0 HA2 GLY A 56 -5.026 -12.728 8.635 1.00 31.04 H new ATOM 0 HA3 GLY A 56 -5.114 -13.879 9.953 1.00 31.04 H new ATOM 837 N PHE A 57 -5.889 -15.882 8.130 1.00 62.44 N ATOM 838 CA PHE A 57 -5.657 -17.036 7.268 1.00 32.02 C ATOM 839 C PHE A 57 -6.518 -16.957 6.011 1.00 61.24 C ATOM 840 O PHE A 57 -7.743 -17.066 6.076 1.00 3.43 O ATOM 841 CB PHE A 57 -5.957 -18.332 8.024 1.00 25.12 C ATOM 842 CG PHE A 57 -5.336 -18.386 9.391 1.00 14.42 C ATOM 843 CD1 PHE A 57 -3.971 -18.570 9.540 1.00 33.14 C ATOM 844 CD2 PHE A 57 -6.119 -18.252 10.527 1.00 44.10 C ATOM 845 CE1 PHE A 57 -3.397 -18.619 10.797 1.00 73.52 C ATOM 846 CE2 PHE A 57 -5.550 -18.300 11.786 1.00 53.12 C ATOM 847 CZ PHE A 57 -4.188 -18.485 11.921 1.00 72.20 C ATOM 0 H PHE A 57 -6.632 -16.011 8.816 1.00 62.44 H new ATOM 0 HA PHE A 57 -4.608 -17.031 6.970 1.00 32.02 H new ATOM 0 HB2 PHE A 57 -7.037 -18.446 8.119 1.00 25.12 H new ATOM 0 HB3 PHE A 57 -5.598 -19.177 7.437 1.00 25.12 H new ATOM 0 HD1 PHE A 57 -3.348 -18.676 8.664 1.00 33.14 H new ATOM 0 HD2 PHE A 57 -7.185 -18.109 10.427 1.00 44.10 H new ATOM 0 HE1 PHE A 57 -2.331 -18.762 10.900 1.00 73.52 H new ATOM 0 HE2 PHE A 57 -6.170 -18.193 12.664 1.00 53.12 H new ATOM 0 HZ PHE A 57 -3.742 -18.525 12.904 1.00 72.20 H new ATOM 857 N ILE A 58 -5.868 -16.767 4.867 1.00 31.33 N ATOM 858 CA ILE A 58 -6.573 -16.674 3.595 1.00 71.41 C ATOM 859 C ILE A 58 -7.042 -18.047 3.125 1.00 63.25 C ATOM 860 O ILE A 58 -6.270 -19.006 3.112 1.00 55.11 O ATOM 861 CB ILE A 58 -5.686 -16.046 2.504 1.00 2.23 C ATOM 862 CG1 ILE A 58 -5.530 -14.543 2.746 1.00 33.01 C ATOM 863 CG2 ILE A 58 -6.275 -16.308 1.126 1.00 3.12 C ATOM 864 CD1 ILE A 58 -4.476 -13.897 1.875 1.00 4.24 C ATOM 0 H ILE A 58 -4.855 -16.675 4.796 1.00 31.33 H new ATOM 0 HA ILE A 58 -7.439 -16.033 3.761 1.00 71.41 H new ATOM 0 HB ILE A 58 -4.699 -16.507 2.549 1.00 2.23 H new ATOM 0 HG12 ILE A 58 -6.487 -14.053 2.568 1.00 33.01 H new ATOM 0 HG13 ILE A 58 -5.277 -14.376 3.793 1.00 33.01 H new ATOM 0 HG21 ILE A 58 -5.637 -15.858 0.366 1.00 3.12 H new ATOM 0 HG22 ILE A 58 -6.339 -17.383 0.956 1.00 3.12 H new ATOM 0 HG23 ILE A 58 -7.272 -15.871 1.067 1.00 3.12 H new ATOM 0 HD11 ILE A 58 -4.420 -12.832 2.101 1.00 4.24 H new ATOM 0 HD12 ILE A 58 -3.509 -14.360 2.070 1.00 4.24 H new ATOM 0 HD13 ILE A 58 -4.738 -14.032 0.826 1.00 4.24 H new ATOM 876 N GLU A 59 -8.310 -18.133 2.737 1.00 55.30 N ATOM 877 CA GLU A 59 -8.881 -19.389 2.264 1.00 12.35 C ATOM 878 C GLU A 59 -8.786 -19.492 0.745 1.00 62.10 C ATOM 879 O GLU A 59 -8.345 -18.558 0.076 1.00 22.21 O ATOM 880 CB GLU A 59 -10.342 -19.508 2.704 1.00 21.10 C ATOM 881 CG GLU A 59 -10.567 -19.164 4.167 1.00 55.13 C ATOM 882 CD GLU A 59 -12.022 -19.284 4.577 1.00 74.43 C ATOM 883 OE1 GLU A 59 -12.825 -19.805 3.774 1.00 65.01 O ATOM 884 OE2 GLU A 59 -12.358 -18.858 5.701 1.00 14.25 O ATOM 0 H GLU A 59 -8.962 -17.348 2.741 1.00 55.30 H new ATOM 0 HA GLU A 59 -8.309 -20.207 2.703 1.00 12.35 H new ATOM 0 HB2 GLU A 59 -10.953 -18.850 2.087 1.00 21.10 H new ATOM 0 HB3 GLU A 59 -10.686 -20.526 2.522 1.00 21.10 H new ATOM 0 HG2 GLU A 59 -9.962 -19.824 4.789 1.00 55.13 H new ATOM 0 HG3 GLU A 59 -10.223 -18.147 4.354 1.00 55.13 H new ATOM 891 N GLU A 60 -9.202 -20.635 0.208 1.00 0.21 N ATOM 892 CA GLU A 60 -9.162 -20.861 -1.232 1.00 0.31 C ATOM 893 C GLU A 60 -10.053 -19.862 -1.964 1.00 53.13 C ATOM 894 O GLU A 60 -9.936 -19.683 -3.176 1.00 11.30 O ATOM 895 CB GLU A 60 -9.602 -22.289 -1.559 1.00 33.22 C ATOM 896 CG GLU A 60 -9.525 -22.626 -3.038 1.00 72.34 C ATOM 897 CD GLU A 60 -10.827 -22.354 -3.767 1.00 63.14 C ATOM 898 OE1 GLU A 60 -11.900 -22.590 -3.174 1.00 40.34 O ATOM 899 OE2 GLU A 60 -10.771 -21.905 -4.931 1.00 52.24 O ATOM 0 H GLU A 60 -9.570 -21.418 0.748 1.00 0.21 H new ATOM 0 HA GLU A 60 -8.135 -20.720 -1.568 1.00 0.31 H new ATOM 0 HB2 GLU A 60 -8.978 -22.989 -1.003 1.00 33.22 H new ATOM 0 HB3 GLU A 60 -10.626 -22.432 -1.215 1.00 33.22 H new ATOM 0 HG2 GLU A 60 -8.727 -22.044 -3.498 1.00 72.34 H new ATOM 0 HG3 GLU A 60 -9.261 -23.677 -3.154 1.00 72.34 H new ATOM 906 N GLU A 61 -10.944 -19.215 -1.219 1.00 71.10 N ATOM 907 CA GLU A 61 -11.856 -18.236 -1.798 1.00 12.42 C ATOM 908 C GLU A 61 -11.123 -16.939 -2.131 1.00 22.52 C ATOM 909 O GLU A 61 -11.276 -16.391 -3.221 1.00 53.43 O ATOM 910 CB GLU A 61 -13.010 -17.949 -0.835 1.00 0.43 C ATOM 911 CG GLU A 61 -13.936 -19.134 -0.624 1.00 74.43 C ATOM 912 CD GLU A 61 -15.289 -18.727 -0.073 1.00 30.32 C ATOM 913 OE1 GLU A 61 -15.409 -18.588 1.162 1.00 14.02 O ATOM 914 OE2 GLU A 61 -16.227 -18.548 -0.877 1.00 54.23 O ATOM 0 H GLU A 61 -11.053 -19.351 -0.214 1.00 71.10 H new ATOM 0 HA GLU A 61 -12.258 -18.654 -2.721 1.00 12.42 H new ATOM 0 HB2 GLU A 61 -12.601 -17.643 0.128 1.00 0.43 H new ATOM 0 HB3 GLU A 61 -13.590 -17.109 -1.217 1.00 0.43 H new ATOM 0 HG2 GLU A 61 -14.075 -19.654 -1.572 1.00 74.43 H new ATOM 0 HG3 GLU A 61 -13.466 -19.840 0.061 1.00 74.43 H new ATOM 921 N GLU A 62 -10.326 -16.457 -1.182 1.00 52.33 N ATOM 922 CA GLU A 62 -9.570 -15.225 -1.375 1.00 14.44 C ATOM 923 C GLU A 62 -8.234 -15.507 -2.056 1.00 12.44 C ATOM 924 O GLU A 62 -7.515 -14.585 -2.443 1.00 3.35 O ATOM 925 CB GLU A 62 -9.334 -14.530 -0.032 1.00 33.02 C ATOM 926 CG GLU A 62 -10.101 -13.227 0.123 1.00 60.33 C ATOM 927 CD GLU A 62 -11.604 -13.429 0.106 1.00 62.32 C ATOM 928 OE1 GLU A 62 -12.073 -14.443 0.664 1.00 12.54 O ATOM 929 OE2 GLU A 62 -12.310 -12.573 -0.466 1.00 73.05 O ATOM 0 H GLU A 62 -10.187 -16.900 -0.274 1.00 52.33 H new ATOM 0 HA GLU A 62 -10.154 -14.567 -2.019 1.00 14.44 H new ATOM 0 HB2 GLU A 62 -9.619 -15.207 0.773 1.00 33.02 H new ATOM 0 HB3 GLU A 62 -8.269 -14.330 0.082 1.00 33.02 H new ATOM 0 HG2 GLU A 62 -9.813 -12.749 1.060 1.00 60.33 H new ATOM 0 HG3 GLU A 62 -9.820 -12.547 -0.681 1.00 60.33 H new ATOM 936 N LEU A 63 -7.908 -16.787 -2.198 1.00 53.52 N ATOM 937 CA LEU A 63 -6.658 -17.192 -2.832 1.00 14.31 C ATOM 938 C LEU A 63 -6.743 -17.044 -4.348 1.00 14.03 C ATOM 939 O LEU A 63 -5.726 -16.895 -5.024 1.00 21.42 O ATOM 940 CB LEU A 63 -6.325 -18.639 -2.467 1.00 64.31 C ATOM 941 CG LEU A 63 -4.837 -18.981 -2.369 1.00 14.12 C ATOM 942 CD1 LEU A 63 -4.196 -18.242 -1.205 1.00 2.13 C ATOM 943 CD2 LEU A 63 -4.644 -20.483 -2.221 1.00 62.01 C ATOM 0 H LEU A 63 -8.492 -17.562 -1.883 1.00 53.52 H new ATOM 0 HA LEU A 63 -5.865 -16.540 -2.466 1.00 14.31 H new ATOM 0 HB2 LEU A 63 -6.794 -18.868 -1.510 1.00 64.31 H new ATOM 0 HB3 LEU A 63 -6.780 -19.294 -3.210 1.00 64.31 H new ATOM 0 HG LEU A 63 -4.348 -18.661 -3.289 1.00 14.12 H new ATOM 0 HD11 LEU A 63 -3.138 -18.497 -1.150 1.00 2.13 H new ATOM 0 HD12 LEU A 63 -4.303 -17.167 -1.353 1.00 2.13 H new ATOM 0 HD13 LEU A 63 -4.687 -18.531 -0.276 1.00 2.13 H new ATOM 0 HD21 LEU A 63 -3.580 -20.708 -2.153 1.00 62.01 H new ATOM 0 HD22 LEU A 63 -5.146 -20.827 -1.317 1.00 62.01 H new ATOM 0 HD23 LEU A 63 -5.068 -20.991 -3.087 1.00 62.01 H new ATOM 955 N GLN A 64 -7.963 -17.084 -4.873 1.00 55.14 N ATOM 956 CA GLN A 64 -8.181 -16.953 -6.309 1.00 44.23 C ATOM 957 C GLN A 64 -7.891 -15.530 -6.776 1.00 71.00 C ATOM 958 O GLN A 64 -7.967 -15.229 -7.968 1.00 12.30 O ATOM 959 CB GLN A 64 -9.618 -17.337 -6.666 1.00 44.23 C ATOM 960 CG GLN A 64 -10.638 -16.264 -6.321 1.00 43.34 C ATOM 961 CD GLN A 64 -12.067 -16.742 -6.488 1.00 4.21 C ATOM 962 OE1 GLN A 64 -12.778 -16.306 -7.394 1.00 3.33 O ATOM 963 NE2 GLN A 64 -12.495 -17.643 -5.612 1.00 73.44 N ATOM 0 H GLN A 64 -8.815 -17.206 -4.326 1.00 55.14 H new ATOM 0 HA GLN A 64 -7.495 -17.630 -6.818 1.00 44.23 H new ATOM 0 HB2 GLN A 64 -9.674 -17.550 -7.734 1.00 44.23 H new ATOM 0 HB3 GLN A 64 -9.880 -18.257 -6.143 1.00 44.23 H new ATOM 0 HG2 GLN A 64 -10.485 -15.940 -5.291 1.00 43.34 H new ATOM 0 HG3 GLN A 64 -10.473 -15.394 -6.956 1.00 43.34 H new ATOM 0 HE21 GLN A 64 -11.871 -17.976 -4.877 1.00 73.44 H new ATOM 0 HE22 GLN A 64 -13.448 -18.002 -5.674 1.00 73.44 H new ATOM 972 N LEU A 65 -7.559 -14.659 -5.830 1.00 12.50 N ATOM 973 CA LEU A 65 -7.258 -13.266 -6.144 1.00 32.00 C ATOM 974 C LEU A 65 -5.755 -13.012 -6.106 1.00 3.15 C ATOM 975 O LEU A 65 -5.311 -11.873 -5.958 1.00 64.04 O ATOM 976 CB LEU A 65 -7.970 -12.336 -5.160 1.00 44.51 C ATOM 977 CG LEU A 65 -9.424 -12.683 -4.839 1.00 63.21 C ATOM 978 CD1 LEU A 65 -9.880 -11.962 -3.580 1.00 44.02 C ATOM 979 CD2 LEU A 65 -10.327 -12.334 -6.013 1.00 31.12 C ATOM 0 H LEU A 65 -7.491 -14.892 -4.839 1.00 12.50 H new ATOM 0 HA LEU A 65 -7.617 -13.060 -7.153 1.00 32.00 H new ATOM 0 HB2 LEU A 65 -7.406 -12.326 -4.228 1.00 44.51 H new ATOM 0 HB3 LEU A 65 -7.940 -11.323 -5.562 1.00 44.51 H new ATOM 0 HG LEU A 65 -9.491 -13.756 -4.662 1.00 63.21 H new ATOM 0 HD11 LEU A 65 -10.917 -12.221 -3.368 1.00 44.02 H new ATOM 0 HD12 LEU A 65 -9.252 -12.262 -2.741 1.00 44.02 H new ATOM 0 HD13 LEU A 65 -9.798 -10.885 -3.728 1.00 44.02 H new ATOM 0 HD21 LEU A 65 -11.358 -12.588 -5.767 1.00 31.12 H new ATOM 0 HD22 LEU A 65 -10.256 -11.267 -6.222 1.00 31.12 H new ATOM 0 HD23 LEU A 65 -10.015 -12.897 -6.892 1.00 31.12 H new ATOM 991 N PHE A 66 -4.976 -14.080 -6.241 1.00 3.12 N ATOM 992 CA PHE A 66 -3.521 -13.973 -6.223 1.00 15.32 C ATOM 993 C PHE A 66 -3.010 -13.303 -7.495 1.00 2.54 C ATOM 994 O PHE A 66 -1.865 -12.853 -7.556 1.00 25.13 O ATOM 995 CB PHE A 66 -2.889 -15.358 -6.073 1.00 4.44 C ATOM 996 CG PHE A 66 -1.387 -15.331 -6.046 1.00 11.21 C ATOM 997 CD1 PHE A 66 -0.706 -15.125 -4.857 1.00 63.41 C ATOM 998 CD2 PHE A 66 -0.657 -15.511 -7.210 1.00 10.52 C ATOM 999 CE1 PHE A 66 0.676 -15.101 -4.829 1.00 1.51 C ATOM 1000 CE2 PHE A 66 0.725 -15.487 -7.188 1.00 34.13 C ATOM 1001 CZ PHE A 66 1.392 -15.281 -5.996 1.00 40.41 C ATOM 0 H PHE A 66 -5.327 -15.030 -6.364 1.00 3.12 H new ATOM 0 HA PHE A 66 -3.237 -13.357 -5.370 1.00 15.32 H new ATOM 0 HB2 PHE A 66 -3.253 -15.817 -5.154 1.00 4.44 H new ATOM 0 HB3 PHE A 66 -3.218 -15.990 -6.897 1.00 4.44 H new ATOM 0 HD1 PHE A 66 -1.261 -14.982 -3.942 1.00 63.41 H new ATOM 0 HD2 PHE A 66 -1.173 -15.672 -8.145 1.00 10.52 H new ATOM 0 HE1 PHE A 66 1.195 -14.942 -3.895 1.00 1.51 H new ATOM 0 HE2 PHE A 66 1.283 -15.629 -8.102 1.00 34.13 H new ATOM 0 HZ PHE A 66 2.472 -15.261 -5.977 1.00 40.41 H new ATOM 1011 N LEU A 67 -3.866 -13.240 -8.508 1.00 41.34 N ATOM 1012 CA LEU A 67 -3.502 -12.625 -9.780 1.00 62.14 C ATOM 1013 C LEU A 67 -3.936 -11.163 -9.823 1.00 25.42 C ATOM 1014 O LEU A 67 -3.833 -10.504 -10.857 1.00 51.43 O ATOM 1015 CB LEU A 67 -4.139 -13.392 -10.941 1.00 3.14 C ATOM 1016 CG LEU A 67 -3.325 -14.559 -11.501 1.00 41.32 C ATOM 1017 CD1 LEU A 67 -4.137 -15.331 -12.529 1.00 35.44 C ATOM 1018 CD2 LEU A 67 -2.026 -14.057 -12.114 1.00 44.12 C ATOM 0 H LEU A 67 -4.817 -13.607 -8.474 1.00 41.34 H new ATOM 0 HA LEU A 67 -2.417 -12.666 -9.877 1.00 62.14 H new ATOM 0 HB2 LEU A 67 -5.105 -13.774 -10.611 1.00 3.14 H new ATOM 0 HB3 LEU A 67 -4.334 -12.689 -11.751 1.00 3.14 H new ATOM 0 HG LEU A 67 -3.080 -15.233 -10.680 1.00 41.32 H new ATOM 0 HD11 LEU A 67 -3.542 -16.158 -12.917 1.00 35.44 H new ATOM 0 HD12 LEU A 67 -5.040 -15.723 -12.060 1.00 35.44 H new ATOM 0 HD13 LEU A 67 -4.413 -14.667 -13.348 1.00 35.44 H new ATOM 0 HD21 LEU A 67 -1.459 -14.901 -12.508 1.00 44.12 H new ATOM 0 HD22 LEU A 67 -2.250 -13.362 -12.923 1.00 44.12 H new ATOM 0 HD23 LEU A 67 -1.436 -13.548 -11.351 1.00 44.12 H new ATOM 1030 N LYS A 68 -4.419 -10.662 -8.691 1.00 42.02 N ATOM 1031 CA LYS A 68 -4.865 -9.277 -8.597 1.00 32.25 C ATOM 1032 C LYS A 68 -3.790 -8.401 -7.962 1.00 42.01 C ATOM 1033 O LYS A 68 -3.516 -7.298 -8.434 1.00 73.42 O ATOM 1034 CB LYS A 68 -6.156 -9.191 -7.779 1.00 52.32 C ATOM 1035 CG LYS A 68 -7.253 -10.117 -8.275 1.00 30.11 C ATOM 1036 CD LYS A 68 -7.978 -9.531 -9.475 1.00 12.14 C ATOM 1037 CE LYS A 68 -9.483 -9.502 -9.257 1.00 32.12 C ATOM 1038 NZ LYS A 68 -10.210 -9.028 -10.467 1.00 61.52 N ATOM 0 H LYS A 68 -4.512 -11.194 -7.826 1.00 42.02 H new ATOM 0 HA LYS A 68 -5.056 -8.913 -9.607 1.00 32.25 H new ATOM 0 HB2 LYS A 68 -5.934 -9.429 -6.739 1.00 52.32 H new ATOM 0 HB3 LYS A 68 -6.522 -8.164 -7.800 1.00 52.32 H new ATOM 0 HG2 LYS A 68 -6.822 -11.081 -8.545 1.00 30.11 H new ATOM 0 HG3 LYS A 68 -7.967 -10.300 -7.472 1.00 30.11 H new ATOM 0 HD2 LYS A 68 -7.617 -8.520 -9.662 1.00 12.14 H new ATOM 0 HD3 LYS A 68 -7.749 -10.120 -10.363 1.00 12.14 H new ATOM 0 HE2 LYS A 68 -9.831 -10.501 -8.992 1.00 32.12 H new ATOM 0 HE3 LYS A 68 -9.715 -8.850 -8.415 1.00 32.12 H new ATOM 0 HZ1 LYS A 68 -11.094 -8.562 -10.180 1.00 61.52 H new ATOM 0 HZ2 LYS A 68 -9.615 -8.352 -10.987 1.00 61.52 H new ATOM 0 HZ3 LYS A 68 -10.429 -9.839 -11.080 1.00 61.52 H new ATOM 1052 N ASN A 69 -3.182 -8.900 -6.890 1.00 73.15 N ATOM 1053 CA ASN A 69 -2.136 -8.162 -6.192 1.00 62.52 C ATOM 1054 C ASN A 69 -0.879 -8.057 -7.051 1.00 31.22 C ATOM 1055 O ASN A 69 -0.034 -7.190 -6.829 1.00 43.13 O ATOM 1056 CB ASN A 69 -1.803 -8.843 -4.863 1.00 32.20 C ATOM 1057 CG ASN A 69 -0.582 -8.242 -4.195 1.00 2.20 C ATOM 1058 OD1 ASN A 69 -0.680 -7.246 -3.477 1.00 71.51 O ATOM 1059 ND2 ASN A 69 0.578 -8.845 -4.429 1.00 52.03 N ATOM 0 H ASN A 69 -3.396 -9.812 -6.486 1.00 73.15 H new ATOM 0 HA ASN A 69 -2.505 -7.156 -5.995 1.00 62.52 H new ATOM 0 HB2 ASN A 69 -2.658 -8.761 -4.192 1.00 32.20 H new ATOM 0 HB3 ASN A 69 -1.633 -9.906 -5.035 1.00 32.20 H new ATOM 0 HD21 ASN A 69 1.434 -8.485 -4.007 1.00 52.03 H new ATOM 0 HD22 ASN A 69 0.613 -9.668 -5.031 1.00 52.03 H new ATOM 1066 N PHE A 70 -0.763 -8.946 -8.032 1.00 54.21 N ATOM 1067 CA PHE A 70 0.390 -8.954 -8.924 1.00 50.44 C ATOM 1068 C PHE A 70 0.059 -8.268 -10.247 1.00 2.22 C ATOM 1069 O PHE A 70 0.762 -7.353 -10.677 1.00 32.21 O ATOM 1070 CB PHE A 70 0.852 -10.389 -9.183 1.00 72.20 C ATOM 1071 CG PHE A 70 1.433 -11.060 -7.971 1.00 13.41 C ATOM 1072 CD1 PHE A 70 0.624 -11.404 -6.900 1.00 24.44 C ATOM 1073 CD2 PHE A 70 2.787 -11.345 -7.903 1.00 73.41 C ATOM 1074 CE1 PHE A 70 1.157 -12.021 -5.783 1.00 13.42 C ATOM 1075 CE2 PHE A 70 3.325 -11.962 -6.789 1.00 14.10 C ATOM 1076 CZ PHE A 70 2.508 -12.301 -5.728 1.00 1.21 C ATOM 0 H PHE A 70 -1.454 -9.670 -8.229 1.00 54.21 H new ATOM 0 HA PHE A 70 1.196 -8.402 -8.440 1.00 50.44 H new ATOM 0 HB2 PHE A 70 0.006 -10.975 -9.542 1.00 72.20 H new ATOM 0 HB3 PHE A 70 1.598 -10.384 -9.978 1.00 72.20 H new ATOM 0 HD1 PHE A 70 -0.434 -11.188 -6.938 1.00 24.44 H new ATOM 0 HD2 PHE A 70 3.430 -11.082 -8.730 1.00 73.41 H new ATOM 0 HE1 PHE A 70 0.517 -12.284 -4.954 1.00 13.42 H new ATOM 0 HE2 PHE A 70 4.382 -12.179 -6.748 1.00 14.10 H new ATOM 0 HZ PHE A 70 2.925 -12.784 -4.857 1.00 1.21 H new ATOM 1086 N SER A 71 -1.015 -8.717 -10.887 1.00 75.30 N ATOM 1087 CA SER A 71 -1.438 -8.151 -12.163 1.00 1.24 C ATOM 1088 C SER A 71 -2.756 -7.397 -12.012 1.00 44.33 C ATOM 1089 O SER A 71 -3.566 -7.709 -11.140 1.00 11.41 O ATOM 1090 CB SER A 71 -1.586 -9.255 -13.211 1.00 61.10 C ATOM 1091 OG SER A 71 -1.005 -8.869 -14.444 1.00 41.54 O ATOM 0 H SER A 71 -1.609 -9.472 -10.543 1.00 75.30 H new ATOM 0 HA SER A 71 -0.673 -7.448 -12.492 1.00 1.24 H new ATOM 0 HB2 SER A 71 -1.111 -10.168 -12.852 1.00 61.10 H new ATOM 0 HB3 SER A 71 -2.642 -9.482 -13.358 1.00 61.10 H new ATOM 0 HG SER A 71 -1.111 -9.592 -15.096 1.00 41.54 H new ATOM 1097 N SER A 72 -2.962 -6.402 -12.870 1.00 31.23 N ATOM 1098 CA SER A 72 -4.179 -5.600 -12.831 1.00 52.11 C ATOM 1099 C SER A 72 -5.074 -5.912 -14.027 1.00 3.20 C ATOM 1100 O SER A 72 -6.141 -5.320 -14.189 1.00 62.01 O ATOM 1101 CB SER A 72 -3.833 -4.110 -12.814 1.00 4.22 C ATOM 1102 OG SER A 72 -3.038 -3.758 -13.933 1.00 24.21 O ATOM 0 H SER A 72 -2.302 -6.133 -13.600 1.00 31.23 H new ATOM 0 HA SER A 72 -4.720 -5.851 -11.919 1.00 52.11 H new ATOM 0 HB2 SER A 72 -4.750 -3.521 -12.816 1.00 4.22 H new ATOM 0 HB3 SER A 72 -3.300 -3.868 -11.895 1.00 4.22 H new ATOM 0 HG SER A 72 -2.832 -2.800 -13.900 1.00 24.21 H new ATOM 1108 N SER A 73 -4.630 -6.846 -14.862 1.00 41.32 N ATOM 1109 CA SER A 73 -5.387 -7.235 -16.046 1.00 52.21 C ATOM 1110 C SER A 73 -6.119 -8.553 -15.814 1.00 21.22 C ATOM 1111 O SER A 73 -7.271 -8.715 -16.214 1.00 14.00 O ATOM 1112 CB SER A 73 -4.457 -7.361 -17.254 1.00 41.40 C ATOM 1113 OG SER A 73 -5.195 -7.553 -18.448 1.00 40.34 O ATOM 0 H SER A 73 -3.750 -7.347 -14.740 1.00 41.32 H new ATOM 0 HA SER A 73 -6.126 -6.459 -16.245 1.00 52.21 H new ATOM 0 HB2 SER A 73 -3.845 -6.463 -17.341 1.00 41.40 H new ATOM 0 HB3 SER A 73 -3.775 -8.198 -17.106 1.00 41.40 H new ATOM 0 HG SER A 73 -4.578 -7.629 -19.205 1.00 40.34 H new ATOM 1119 N ALA A 74 -5.440 -9.493 -15.164 1.00 60.02 N ATOM 1120 CA ALA A 74 -6.025 -10.797 -14.876 1.00 43.23 C ATOM 1121 C ALA A 74 -7.309 -10.656 -14.066 1.00 3.31 C ATOM 1122 O ALA A 74 -7.697 -9.550 -13.688 1.00 73.24 O ATOM 1123 CB ALA A 74 -5.024 -11.672 -14.136 1.00 14.02 C ATOM 0 H ALA A 74 -4.484 -9.376 -14.827 1.00 60.02 H new ATOM 0 HA ALA A 74 -6.276 -11.273 -15.824 1.00 43.23 H new ATOM 0 HB1 ALA A 74 -5.474 -12.643 -13.927 1.00 14.02 H new ATOM 0 HB2 ALA A 74 -4.135 -11.809 -14.752 1.00 14.02 H new ATOM 0 HB3 ALA A 74 -4.745 -11.192 -13.198 1.00 14.02 H new ATOM 1129 N ARG A 75 -7.964 -11.782 -13.803 1.00 5.24 N ATOM 1130 CA ARG A 75 -9.205 -11.783 -13.038 1.00 52.25 C ATOM 1131 C ARG A 75 -9.044 -12.569 -11.741 1.00 33.13 C ATOM 1132 O ARG A 75 -9.071 -11.999 -10.650 1.00 20.32 O ATOM 1133 CB ARG A 75 -10.341 -12.380 -13.871 1.00 51.44 C ATOM 1134 CG ARG A 75 -9.863 -13.302 -14.981 1.00 50.32 C ATOM 1135 CD ARG A 75 -10.952 -14.275 -15.405 1.00 12.32 C ATOM 1136 NE ARG A 75 -10.517 -15.142 -16.496 1.00 61.11 N ATOM 1137 CZ ARG A 75 -11.115 -16.286 -16.809 1.00 54.01 C ATOM 1138 NH1 ARG A 75 -12.169 -16.698 -16.117 1.00 41.34 N ATOM 1139 NH2 ARG A 75 -10.660 -17.020 -17.816 1.00 74.33 N ATOM 0 H ARG A 75 -7.656 -12.705 -14.108 1.00 5.24 H new ATOM 0 HA ARG A 75 -9.450 -10.751 -12.788 1.00 52.25 H new ATOM 0 HB2 ARG A 75 -11.010 -12.934 -13.213 1.00 51.44 H new ATOM 0 HB3 ARG A 75 -10.924 -11.570 -14.309 1.00 51.44 H new ATOM 0 HG2 ARG A 75 -9.550 -12.708 -15.840 1.00 50.32 H new ATOM 0 HG3 ARG A 75 -8.989 -13.858 -14.642 1.00 50.32 H new ATOM 0 HD2 ARG A 75 -11.245 -14.886 -14.551 1.00 12.32 H new ATOM 0 HD3 ARG A 75 -11.836 -13.717 -15.716 1.00 12.32 H new ATOM 0 HE ARG A 75 -9.709 -14.853 -17.048 1.00 61.11 H new ATOM 0 HH11 ARG A 75 -12.522 -16.136 -15.343 1.00 41.34 H new ATOM 0 HH12 ARG A 75 -12.626 -17.577 -16.359 1.00 41.34 H new ATOM 0 HH21 ARG A 75 -9.850 -16.706 -18.351 1.00 74.33 H new ATOM 0 HH22 ARG A 75 -11.120 -17.898 -18.055 1.00 74.33 H new ATOM 1153 N VAL A 76 -8.878 -13.882 -11.867 1.00 3.11 N ATOM 1154 CA VAL A 76 -8.712 -14.747 -10.705 1.00 1.31 C ATOM 1155 C VAL A 76 -8.038 -16.060 -11.088 1.00 55.55 C ATOM 1156 O VAL A 76 -7.892 -16.373 -12.271 1.00 11.23 O ATOM 1157 CB VAL A 76 -10.065 -15.053 -10.036 1.00 0.14 C ATOM 1158 CG1 VAL A 76 -10.465 -13.924 -9.098 1.00 50.44 C ATOM 1159 CG2 VAL A 76 -11.138 -15.289 -11.088 1.00 20.13 C ATOM 0 H VAL A 76 -8.855 -14.370 -12.762 1.00 3.11 H new ATOM 0 HA VAL A 76 -8.079 -14.210 -9.999 1.00 1.31 H new ATOM 0 HB VAL A 76 -9.961 -15.963 -9.446 1.00 0.14 H new ATOM 0 HG11 VAL A 76 -11.423 -14.158 -8.635 1.00 50.44 H new ATOM 0 HG12 VAL A 76 -9.706 -13.808 -8.324 1.00 50.44 H new ATOM 0 HG13 VAL A 76 -10.552 -12.996 -9.662 1.00 50.44 H new ATOM 0 HG21 VAL A 76 -12.087 -15.504 -10.598 1.00 20.13 H new ATOM 0 HG22 VAL A 76 -11.243 -14.398 -11.707 1.00 20.13 H new ATOM 0 HG23 VAL A 76 -10.854 -16.135 -11.714 1.00 20.13 H new ATOM 1169 N LEU A 77 -7.630 -16.825 -10.082 1.00 54.32 N ATOM 1170 CA LEU A 77 -6.972 -18.106 -10.313 1.00 50.23 C ATOM 1171 C LEU A 77 -7.948 -19.122 -10.898 1.00 41.20 C ATOM 1172 O LEU A 77 -9.150 -18.869 -10.980 1.00 54.32 O ATOM 1173 CB LEU A 77 -6.382 -18.641 -9.007 1.00 71.34 C ATOM 1174 CG LEU A 77 -5.395 -17.720 -8.289 1.00 74.12 C ATOM 1175 CD1 LEU A 77 -4.581 -18.501 -7.270 1.00 30.33 C ATOM 1176 CD2 LEU A 77 -4.480 -17.033 -9.292 1.00 71.22 C ATOM 0 H LEU A 77 -7.743 -16.581 -9.098 1.00 54.32 H new ATOM 0 HA LEU A 77 -6.167 -17.949 -11.031 1.00 50.23 H new ATOM 0 HB2 LEU A 77 -7.203 -18.863 -8.325 1.00 71.34 H new ATOM 0 HB3 LEU A 77 -5.879 -19.585 -9.219 1.00 71.34 H new ATOM 0 HG LEU A 77 -5.962 -16.954 -7.760 1.00 74.12 H new ATOM 0 HD11 LEU A 77 -3.884 -17.829 -6.769 1.00 30.33 H new ATOM 0 HD12 LEU A 77 -5.250 -18.945 -6.533 1.00 30.33 H new ATOM 0 HD13 LEU A 77 -4.024 -19.290 -7.776 1.00 30.33 H new ATOM 0 HD21 LEU A 77 -3.784 -16.382 -8.763 1.00 71.22 H new ATOM 0 HD22 LEU A 77 -3.921 -17.785 -9.849 1.00 71.22 H new ATOM 0 HD23 LEU A 77 -5.078 -16.440 -9.983 1.00 71.22 H new ATOM 1188 N THR A 78 -7.423 -20.275 -11.302 1.00 0.41 N ATOM 1189 CA THR A 78 -8.247 -21.330 -11.878 1.00 11.42 C ATOM 1190 C THR A 78 -7.974 -22.670 -11.205 1.00 44.02 C ATOM 1191 O THR A 78 -7.288 -22.735 -10.185 1.00 13.23 O ATOM 1192 CB THR A 78 -8.004 -21.469 -13.392 1.00 64.14 C ATOM 1193 OG1 THR A 78 -9.000 -22.318 -13.973 1.00 22.44 O ATOM 1194 CG2 THR A 78 -6.621 -22.040 -13.668 1.00 4.41 C ATOM 0 H THR A 78 -6.430 -20.501 -11.241 1.00 0.41 H new ATOM 0 HA THR A 78 -9.286 -21.047 -11.709 1.00 11.42 H new ATOM 0 HB THR A 78 -8.067 -20.477 -13.840 1.00 64.14 H new ATOM 0 HG1 THR A 78 -8.839 -22.400 -14.936 1.00 22.44 H new ATOM 0 HG21 THR A 78 -6.472 -22.129 -14.744 1.00 4.41 H new ATOM 0 HG22 THR A 78 -5.864 -21.377 -13.251 1.00 4.41 H new ATOM 0 HG23 THR A 78 -6.535 -23.024 -13.207 1.00 4.41 H new ATOM 1202 N SER A 79 -8.513 -23.738 -11.784 1.00 31.23 N ATOM 1203 CA SER A 79 -8.329 -25.078 -11.238 1.00 14.23 C ATOM 1204 C SER A 79 -6.922 -25.593 -11.524 1.00 51.11 C ATOM 1205 O SER A 79 -6.746 -26.613 -12.190 1.00 52.53 O ATOM 1206 CB SER A 79 -9.366 -26.038 -11.826 1.00 5.43 C ATOM 1207 OG SER A 79 -9.222 -26.144 -13.231 1.00 61.44 O ATOM 0 H SER A 79 -9.080 -23.702 -12.631 1.00 31.23 H new ATOM 0 HA SER A 79 -8.465 -25.025 -10.158 1.00 14.23 H new ATOM 0 HB2 SER A 79 -9.255 -27.022 -11.370 1.00 5.43 H new ATOM 0 HB3 SER A 79 -10.369 -25.687 -11.585 1.00 5.43 H new ATOM 0 HG SER A 79 -8.314 -26.445 -13.445 1.00 61.44 H new ATOM 1213 N ALA A 80 -5.923 -24.880 -11.015 1.00 42.54 N ATOM 1214 CA ALA A 80 -4.531 -25.264 -11.214 1.00 71.41 C ATOM 1215 C ALA A 80 -3.589 -24.311 -10.487 1.00 63.10 C ATOM 1216 O ALA A 80 -2.673 -24.743 -9.788 1.00 64.04 O ATOM 1217 CB ALA A 80 -4.201 -25.305 -12.699 1.00 35.01 C ATOM 0 H ALA A 80 -6.052 -24.033 -10.462 1.00 42.54 H new ATOM 0 HA ALA A 80 -4.392 -26.261 -10.795 1.00 71.41 H new ATOM 0 HB1 ALA A 80 -3.158 -25.593 -12.832 1.00 35.01 H new ATOM 0 HB2 ALA A 80 -4.845 -26.032 -13.195 1.00 35.01 H new ATOM 0 HB3 ALA A 80 -4.364 -24.319 -13.135 1.00 35.01 H new ATOM 1223 N GLU A 81 -3.820 -23.013 -10.657 1.00 72.12 N ATOM 1224 CA GLU A 81 -2.990 -21.999 -10.018 1.00 23.44 C ATOM 1225 C GLU A 81 -3.267 -21.936 -8.518 1.00 64.12 C ATOM 1226 O GLU A 81 -2.345 -21.972 -7.702 1.00 42.53 O ATOM 1227 CB GLU A 81 -3.239 -20.629 -10.652 1.00 30.43 C ATOM 1228 CG GLU A 81 -2.991 -20.598 -12.150 1.00 65.14 C ATOM 1229 CD GLU A 81 -3.009 -19.191 -12.716 1.00 33.24 C ATOM 1230 OE1 GLU A 81 -2.165 -18.372 -12.298 1.00 25.01 O ATOM 1231 OE2 GLU A 81 -3.870 -18.910 -13.576 1.00 45.23 O ATOM 0 H GLU A 81 -4.575 -22.639 -11.232 1.00 72.12 H new ATOM 0 HA GLU A 81 -1.946 -22.275 -10.166 1.00 23.44 H new ATOM 0 HB2 GLU A 81 -4.269 -20.329 -10.456 1.00 30.43 H new ATOM 0 HB3 GLU A 81 -2.596 -19.893 -10.170 1.00 30.43 H new ATOM 0 HG2 GLU A 81 -2.027 -21.059 -12.364 1.00 65.14 H new ATOM 0 HG3 GLU A 81 -3.750 -21.197 -12.653 1.00 65.14 H new ATOM 1238 N THR A 82 -4.544 -21.841 -8.162 1.00 21.33 N ATOM 1239 CA THR A 82 -4.943 -21.771 -6.762 1.00 35.11 C ATOM 1240 C THR A 82 -4.532 -23.031 -6.009 1.00 10.12 C ATOM 1241 O THR A 82 -4.139 -22.970 -4.843 1.00 73.05 O ATOM 1242 CB THR A 82 -6.465 -21.576 -6.621 1.00 60.31 C ATOM 1243 OG1 THR A 82 -7.023 -21.160 -7.872 1.00 75.12 O ATOM 1244 CG2 THR A 82 -6.782 -20.544 -5.550 1.00 5.40 C ATOM 0 H THR A 82 -5.320 -21.811 -8.824 1.00 21.33 H new ATOM 0 HA THR A 82 -4.432 -20.910 -6.330 1.00 35.11 H new ATOM 0 HB THR A 82 -6.905 -22.528 -6.326 1.00 60.31 H new ATOM 0 HG1 THR A 82 -7.139 -21.940 -8.454 1.00 75.12 H new ATOM 0 HG21 THR A 82 -7.862 -20.424 -5.469 1.00 5.40 H new ATOM 0 HG22 THR A 82 -6.381 -20.878 -4.593 1.00 5.40 H new ATOM 0 HG23 THR A 82 -6.330 -19.589 -5.819 1.00 5.40 H new ATOM 1252 N LYS A 83 -4.624 -24.173 -6.681 1.00 63.13 N ATOM 1253 CA LYS A 83 -4.259 -25.449 -6.077 1.00 11.12 C ATOM 1254 C LYS A 83 -2.746 -25.563 -5.919 1.00 33.52 C ATOM 1255 O LYS A 83 -2.251 -25.947 -4.860 1.00 22.42 O ATOM 1256 CB LYS A 83 -4.783 -26.608 -6.928 1.00 21.13 C ATOM 1257 CG LYS A 83 -6.275 -26.535 -7.203 1.00 2.11 C ATOM 1258 CD LYS A 83 -6.852 -27.905 -7.518 1.00 3.04 C ATOM 1259 CE LYS A 83 -8.370 -27.866 -7.595 1.00 12.02 C ATOM 1260 NZ LYS A 83 -8.925 -29.094 -8.228 1.00 31.54 N ATOM 0 H LYS A 83 -4.949 -24.241 -7.646 1.00 63.13 H new ATOM 0 HA LYS A 83 -4.714 -25.498 -5.088 1.00 11.12 H new ATOM 0 HB2 LYS A 83 -4.247 -26.622 -7.877 1.00 21.13 H new ATOM 0 HB3 LYS A 83 -4.561 -27.548 -6.423 1.00 21.13 H new ATOM 0 HG2 LYS A 83 -6.785 -26.115 -6.336 1.00 2.11 H new ATOM 0 HG3 LYS A 83 -6.459 -25.861 -8.039 1.00 2.11 H new ATOM 0 HD2 LYS A 83 -6.448 -28.262 -8.465 1.00 3.04 H new ATOM 0 HD3 LYS A 83 -6.544 -28.616 -6.751 1.00 3.04 H new ATOM 0 HE2 LYS A 83 -8.782 -27.757 -6.592 1.00 12.02 H new ATOM 0 HE3 LYS A 83 -8.682 -26.991 -8.165 1.00 12.02 H new ATOM 0 HZ1 LYS A 83 -9.962 -29.029 -8.262 1.00 31.54 H new ATOM 0 HZ2 LYS A 83 -8.552 -29.185 -9.195 1.00 31.54 H new ATOM 0 HZ3 LYS A 83 -8.649 -29.927 -7.670 1.00 31.54 H new ATOM 1274 N ALA A 84 -2.018 -25.227 -6.978 1.00 50.42 N ATOM 1275 CA ALA A 84 -0.562 -25.289 -6.955 1.00 41.52 C ATOM 1276 C ALA A 84 0.017 -24.247 -6.004 1.00 11.13 C ATOM 1277 O ALA A 84 1.210 -24.264 -5.699 1.00 73.33 O ATOM 1278 CB ALA A 84 -0.003 -25.094 -8.357 1.00 12.00 C ATOM 0 H ALA A 84 -2.413 -24.909 -7.863 1.00 50.42 H new ATOM 0 HA ALA A 84 -0.271 -26.275 -6.593 1.00 41.52 H new ATOM 0 HB1 ALA A 84 1.085 -25.143 -8.325 1.00 12.00 H new ATOM 0 HB2 ALA A 84 -0.382 -25.878 -9.012 1.00 12.00 H new ATOM 0 HB3 ALA A 84 -0.311 -24.121 -8.740 1.00 12.00 H new ATOM 1284 N PHE A 85 -0.835 -23.340 -5.537 1.00 52.15 N ATOM 1285 CA PHE A 85 -0.408 -22.289 -4.621 1.00 44.14 C ATOM 1286 C PHE A 85 -0.848 -22.599 -3.194 1.00 20.32 C ATOM 1287 O PHE A 85 -0.060 -22.496 -2.253 1.00 32.35 O ATOM 1288 CB PHE A 85 -0.976 -20.938 -5.060 1.00 75.03 C ATOM 1289 CG PHE A 85 -0.420 -19.775 -4.290 1.00 40.44 C ATOM 1290 CD1 PHE A 85 0.854 -19.298 -4.554 1.00 52.23 C ATOM 1291 CD2 PHE A 85 -1.171 -19.158 -3.302 1.00 64.13 C ATOM 1292 CE1 PHE A 85 1.369 -18.227 -3.848 1.00 31.10 C ATOM 1293 CE2 PHE A 85 -0.661 -18.087 -2.593 1.00 11.10 C ATOM 1294 CZ PHE A 85 0.611 -17.622 -2.865 1.00 55.43 C ATOM 0 H PHE A 85 -1.826 -23.312 -5.778 1.00 52.15 H new ATOM 0 HA PHE A 85 0.681 -22.242 -4.644 1.00 44.14 H new ATOM 0 HB2 PHE A 85 -0.769 -20.793 -6.120 1.00 75.03 H new ATOM 0 HB3 PHE A 85 -2.060 -20.954 -4.946 1.00 75.03 H new ATOM 0 HD1 PHE A 85 1.452 -19.769 -5.321 1.00 52.23 H new ATOM 0 HD2 PHE A 85 -2.166 -19.518 -3.084 1.00 64.13 H new ATOM 0 HE1 PHE A 85 2.363 -17.864 -4.065 1.00 31.10 H new ATOM 0 HE2 PHE A 85 -1.257 -17.614 -1.827 1.00 11.10 H new ATOM 0 HZ PHE A 85 1.012 -16.787 -2.310 1.00 55.43 H new ATOM 1304 N LEU A 86 -2.112 -22.979 -3.041 1.00 23.15 N ATOM 1305 CA LEU A 86 -2.659 -23.305 -1.728 1.00 1.41 C ATOM 1306 C LEU A 86 -1.982 -24.542 -1.147 1.00 72.25 C ATOM 1307 O LEU A 86 -1.439 -24.505 -0.044 1.00 10.31 O ATOM 1308 CB LEU A 86 -4.168 -23.533 -1.825 1.00 53.12 C ATOM 1309 CG LEU A 86 -4.968 -23.288 -0.545 1.00 70.11 C ATOM 1310 CD1 LEU A 86 -6.380 -22.832 -0.877 1.00 52.51 C ATOM 1311 CD2 LEU A 86 -5.000 -24.545 0.313 1.00 44.34 C ATOM 0 H LEU A 86 -2.777 -23.069 -3.809 1.00 23.15 H new ATOM 0 HA LEU A 86 -2.467 -22.463 -1.063 1.00 1.41 H new ATOM 0 HB2 LEU A 86 -4.564 -22.884 -2.607 1.00 53.12 H new ATOM 0 HB3 LEU A 86 -4.340 -24.560 -2.146 1.00 53.12 H new ATOM 0 HG LEU A 86 -4.476 -22.497 0.022 1.00 70.11 H new ATOM 0 HD11 LEU A 86 -6.934 -22.663 0.046 1.00 52.51 H new ATOM 0 HD12 LEU A 86 -6.338 -21.906 -1.450 1.00 52.51 H new ATOM 0 HD13 LEU A 86 -6.882 -23.600 -1.465 1.00 52.51 H new ATOM 0 HD21 LEU A 86 -5.573 -24.352 1.220 1.00 44.34 H new ATOM 0 HD22 LEU A 86 -5.467 -25.356 -0.246 1.00 44.34 H new ATOM 0 HD23 LEU A 86 -3.982 -24.829 0.581 1.00 44.34 H new ATOM 1323 N ALA A 87 -2.018 -25.637 -1.900 1.00 25.23 N ATOM 1324 CA ALA A 87 -1.404 -26.885 -1.462 1.00 11.11 C ATOM 1325 C ALA A 87 0.110 -26.743 -1.351 1.00 1.24 C ATOM 1326 O ALA A 87 0.779 -27.584 -0.751 1.00 44.50 O ATOM 1327 CB ALA A 87 -1.761 -28.013 -2.419 1.00 14.25 C ATOM 0 H ALA A 87 -2.465 -25.685 -2.815 1.00 25.23 H new ATOM 0 HA ALA A 87 -1.794 -27.125 -0.473 1.00 11.11 H new ATOM 0 HB1 ALA A 87 -1.296 -28.939 -2.080 1.00 14.25 H new ATOM 0 HB2 ALA A 87 -2.843 -28.139 -2.445 1.00 14.25 H new ATOM 0 HB3 ALA A 87 -1.400 -27.770 -3.418 1.00 14.25 H new ATOM 1333 N ALA A 88 0.644 -25.674 -1.933 1.00 12.13 N ATOM 1334 CA ALA A 88 2.079 -25.421 -1.897 1.00 71.44 C ATOM 1335 C ALA A 88 2.443 -24.481 -0.753 1.00 60.43 C ATOM 1336 O ALA A 88 3.554 -24.530 -0.226 1.00 75.31 O ATOM 1337 CB ALA A 88 2.546 -24.845 -3.226 1.00 23.13 C ATOM 0 H ALA A 88 0.104 -24.969 -2.435 1.00 12.13 H new ATOM 0 HA ALA A 88 2.586 -26.370 -1.726 1.00 71.44 H new ATOM 0 HB1 ALA A 88 3.620 -24.661 -3.186 1.00 23.13 H new ATOM 0 HB2 ALA A 88 2.329 -25.553 -4.026 1.00 23.13 H new ATOM 0 HB3 ALA A 88 2.024 -23.908 -3.420 1.00 23.13 H new ATOM 1343 N GLY A 89 1.500 -23.625 -0.374 1.00 55.51 N ATOM 1344 CA GLY A 89 1.741 -22.685 0.705 1.00 42.42 C ATOM 1345 C GLY A 89 1.205 -23.177 2.034 1.00 35.21 C ATOM 1346 O GLY A 89 1.954 -23.317 3.001 1.00 42.34 O ATOM 0 H GLY A 89 0.573 -23.565 -0.795 1.00 55.51 H new ATOM 0 HA2 GLY A 89 2.812 -22.505 0.793 1.00 42.42 H new ATOM 0 HA3 GLY A 89 1.276 -21.730 0.461 1.00 42.42 H new ATOM 1350 N ASP A 90 -0.097 -23.440 2.084 1.00 3.20 N ATOM 1351 CA ASP A 90 -0.734 -23.919 3.305 1.00 24.22 C ATOM 1352 C ASP A 90 0.016 -25.120 3.874 1.00 4.41 C ATOM 1353 O ASP A 90 -0.107 -26.238 3.373 1.00 41.44 O ATOM 1354 CB ASP A 90 -2.191 -24.295 3.032 1.00 22.10 C ATOM 1355 CG ASP A 90 -2.768 -25.195 4.107 1.00 22.01 C ATOM 1356 OD1 ASP A 90 -2.527 -24.922 5.302 1.00 71.10 O ATOM 1357 OD2 ASP A 90 -3.461 -26.172 3.754 1.00 43.34 O ATOM 0 H ASP A 90 -0.731 -23.329 1.293 1.00 3.20 H new ATOM 0 HA ASP A 90 -0.706 -23.114 4.040 1.00 24.22 H new ATOM 0 HB2 ASP A 90 -2.790 -23.387 2.962 1.00 22.10 H new ATOM 0 HB3 ASP A 90 -2.259 -24.797 2.067 1.00 22.10 H new ATOM 1362 N THR A 91 0.796 -24.881 4.924 1.00 13.35 N ATOM 1363 CA THR A 91 1.567 -25.941 5.560 1.00 5.13 C ATOM 1364 C THR A 91 0.978 -26.313 6.916 1.00 75.33 C ATOM 1365 O THR A 91 1.061 -27.464 7.344 1.00 33.44 O ATOM 1366 CB THR A 91 3.039 -25.528 5.750 1.00 43.02 C ATOM 1367 OG1 THR A 91 3.111 -24.199 6.277 1.00 2.41 O ATOM 1368 CG2 THR A 91 3.795 -25.598 4.431 1.00 11.43 C ATOM 0 H THR A 91 0.910 -23.962 5.352 1.00 13.35 H new ATOM 0 HA THR A 91 1.521 -26.805 4.897 1.00 5.13 H new ATOM 0 HB THR A 91 3.500 -26.222 6.453 1.00 43.02 H new ATOM 0 HG1 THR A 91 4.050 -23.945 6.396 1.00 2.41 H new ATOM 0 HG21 THR A 91 4.832 -25.302 4.590 1.00 11.43 H new ATOM 0 HG22 THR A 91 3.763 -26.618 4.047 1.00 11.43 H new ATOM 0 HG23 THR A 91 3.332 -24.924 3.710 1.00 11.43 H new ATOM 1376 N ASP A 92 0.381 -25.333 7.585 1.00 23.35 N ATOM 1377 CA ASP A 92 -0.225 -25.559 8.893 1.00 42.15 C ATOM 1378 C ASP A 92 -1.454 -24.675 9.082 1.00 63.04 C ATOM 1379 O ASP A 92 -1.888 -24.430 10.206 1.00 24.04 O ATOM 1380 CB ASP A 92 0.791 -25.286 10.003 1.00 33.12 C ATOM 1381 CG ASP A 92 0.457 -26.022 11.286 1.00 2.21 C ATOM 1382 OD1 ASP A 92 0.851 -27.200 11.413 1.00 14.04 O ATOM 1383 OD2 ASP A 92 -0.198 -25.420 12.163 1.00 50.24 O ATOM 0 H ASP A 92 0.303 -24.375 7.244 1.00 23.35 H new ATOM 0 HA ASP A 92 -0.538 -26.602 8.946 1.00 42.15 H new ATOM 0 HB2 ASP A 92 1.784 -25.583 9.665 1.00 33.12 H new ATOM 0 HB3 ASP A 92 0.829 -24.215 10.201 1.00 33.12 H new ATOM 1388 N GLY A 93 -2.010 -24.198 7.972 1.00 2.10 N ATOM 1389 CA GLY A 93 -3.182 -23.345 8.037 1.00 35.44 C ATOM 1390 C GLY A 93 -4.475 -24.126 7.903 1.00 21.05 C ATOM 1391 O GLY A 93 -5.559 -23.589 8.133 1.00 62.22 O ATOM 0 H GLY A 93 -1.669 -24.387 7.029 1.00 2.10 H new ATOM 0 HA2 GLY A 93 -3.183 -22.806 8.984 1.00 35.44 H new ATOM 0 HA3 GLY A 93 -3.128 -22.598 7.245 1.00 35.44 H new ATOM 1395 N ASP A 94 -4.361 -25.396 7.530 1.00 52.33 N ATOM 1396 CA ASP A 94 -5.530 -26.252 7.365 1.00 52.24 C ATOM 1397 C ASP A 94 -6.432 -25.731 6.250 1.00 12.22 C ATOM 1398 O ASP A 94 -7.589 -25.385 6.485 1.00 52.51 O ATOM 1399 CB ASP A 94 -6.315 -26.338 8.675 1.00 41.24 C ATOM 1400 CG ASP A 94 -7.304 -27.487 8.683 1.00 42.12 C ATOM 1401 OD1 ASP A 94 -6.968 -28.562 8.144 1.00 24.24 O ATOM 1402 OD2 ASP A 94 -8.414 -27.311 9.227 1.00 53.33 O ATOM 0 H ASP A 94 -3.471 -25.855 7.336 1.00 52.33 H new ATOM 0 HA ASP A 94 -5.184 -27.249 7.092 1.00 52.24 H new ATOM 0 HB2 ASP A 94 -5.619 -26.456 9.505 1.00 41.24 H new ATOM 0 HB3 ASP A 94 -6.849 -25.402 8.837 1.00 41.24 H new ATOM 1407 N GLY A 95 -5.893 -25.677 5.036 1.00 74.13 N ATOM 1408 CA GLY A 95 -6.663 -25.196 3.903 1.00 11.04 C ATOM 1409 C GLY A 95 -6.440 -23.721 3.636 1.00 52.34 C ATOM 1410 O GLY A 95 -6.631 -23.249 2.514 1.00 21.43 O ATOM 0 H GLY A 95 -4.937 -25.958 4.817 1.00 74.13 H new ATOM 0 HA2 GLY A 95 -6.393 -25.768 3.015 1.00 11.04 H new ATOM 0 HA3 GLY A 95 -7.723 -25.373 4.086 1.00 11.04 H new ATOM 1414 N LYS A 96 -6.036 -22.988 4.668 1.00 75.10 N ATOM 1415 CA LYS A 96 -5.787 -21.557 4.540 1.00 35.15 C ATOM 1416 C LYS A 96 -4.293 -21.258 4.593 1.00 24.20 C ATOM 1417 O LYS A 96 -3.481 -22.149 4.846 1.00 42.21 O ATOM 1418 CB LYS A 96 -6.511 -20.792 5.651 1.00 42.31 C ATOM 1419 CG LYS A 96 -7.937 -21.259 5.882 1.00 55.01 C ATOM 1420 CD LYS A 96 -8.637 -20.416 6.935 1.00 43.10 C ATOM 1421 CE LYS A 96 -8.286 -20.877 8.341 1.00 35.43 C ATOM 1422 NZ LYS A 96 -8.999 -20.082 9.380 1.00 65.14 N ATOM 0 H LYS A 96 -5.874 -23.362 5.603 1.00 75.10 H new ATOM 0 HA LYS A 96 -6.170 -21.231 3.573 1.00 35.15 H new ATOM 0 HB2 LYS A 96 -5.949 -20.897 6.579 1.00 42.31 H new ATOM 0 HB3 LYS A 96 -6.521 -19.731 5.403 1.00 42.31 H new ATOM 0 HG2 LYS A 96 -8.493 -21.209 4.946 1.00 55.01 H new ATOM 0 HG3 LYS A 96 -7.933 -22.303 6.195 1.00 55.01 H new ATOM 0 HD2 LYS A 96 -8.354 -19.370 6.813 1.00 43.10 H new ATOM 0 HD3 LYS A 96 -9.716 -20.474 6.791 1.00 43.10 H new ATOM 0 HE2 LYS A 96 -8.541 -21.931 8.452 1.00 35.43 H new ATOM 0 HE3 LYS A 96 -7.210 -20.792 8.493 1.00 35.43 H new ATOM 0 HZ1 LYS A 96 -8.305 -19.583 9.972 1.00 65.14 H new ATOM 0 HZ2 LYS A 96 -9.623 -19.389 8.919 1.00 65.14 H new ATOM 0 HZ3 LYS A 96 -9.567 -20.718 9.975 1.00 65.14 H new ATOM 1436 N ILE A 97 -3.937 -20.000 4.354 1.00 23.52 N ATOM 1437 CA ILE A 97 -2.540 -19.585 4.377 1.00 2.13 C ATOM 1438 C ILE A 97 -2.371 -18.266 5.125 1.00 63.55 C ATOM 1439 O ILE A 97 -3.226 -17.386 5.052 1.00 14.40 O ATOM 1440 CB ILE A 97 -1.975 -19.431 2.953 1.00 43.11 C ATOM 1441 CG1 ILE A 97 -1.964 -20.783 2.236 1.00 3.31 C ATOM 1442 CG2 ILE A 97 -0.574 -18.839 3.000 1.00 50.21 C ATOM 1443 CD1 ILE A 97 -1.411 -20.716 0.830 1.00 72.35 C ATOM 0 H ILE A 97 -4.596 -19.251 4.142 1.00 23.52 H new ATOM 0 HA ILE A 97 -1.986 -20.368 4.896 1.00 2.13 H new ATOM 0 HB ILE A 97 -2.618 -18.750 2.395 1.00 43.11 H new ATOM 0 HG12 ILE A 97 -1.371 -21.489 2.818 1.00 3.31 H new ATOM 0 HG13 ILE A 97 -2.981 -21.174 2.200 1.00 3.31 H new ATOM 0 HG21 ILE A 97 -0.188 -18.736 1.986 1.00 50.21 H new ATOM 0 HG22 ILE A 97 -0.609 -17.859 3.476 1.00 50.21 H new ATOM 0 HG23 ILE A 97 0.080 -19.497 3.572 1.00 50.21 H new ATOM 0 HD11 ILE A 97 -1.433 -21.710 0.382 1.00 72.35 H new ATOM 0 HD12 ILE A 97 -2.017 -20.035 0.233 1.00 72.35 H new ATOM 0 HD13 ILE A 97 -0.383 -20.355 0.860 1.00 72.35 H new ATOM 1455 N GLY A 98 -1.259 -18.137 5.842 1.00 23.40 N ATOM 1456 CA GLY A 98 -0.996 -16.922 6.591 1.00 31.52 C ATOM 1457 C GLY A 98 0.296 -16.251 6.172 1.00 44.31 C ATOM 1458 O GLY A 98 0.438 -15.820 5.027 1.00 20.23 O ATOM 0 H GLY A 98 -0.536 -18.852 5.918 1.00 23.40 H new ATOM 0 HA2 GLY A 98 -1.824 -16.227 6.452 1.00 31.52 H new ATOM 0 HA3 GLY A 98 -0.952 -17.157 7.654 1.00 31.52 H new ATOM 1462 N VAL A 99 1.242 -16.159 7.101 1.00 4.12 N ATOM 1463 CA VAL A 99 2.530 -15.534 6.822 1.00 11.04 C ATOM 1464 C VAL A 99 3.653 -16.565 6.825 1.00 41.24 C ATOM 1465 O VAL A 99 4.373 -16.714 5.838 1.00 5.23 O ATOM 1466 CB VAL A 99 2.855 -14.435 7.851 1.00 12.22 C ATOM 1467 CG1 VAL A 99 2.758 -13.058 7.211 1.00 72.40 C ATOM 1468 CG2 VAL A 99 1.928 -14.539 9.053 1.00 73.42 C ATOM 0 H VAL A 99 1.141 -16.509 8.054 1.00 4.12 H new ATOM 0 HA VAL A 99 2.456 -15.084 5.832 1.00 11.04 H new ATOM 0 HB VAL A 99 3.879 -14.578 8.197 1.00 12.22 H new ATOM 0 HG11 VAL A 99 2.991 -12.295 7.953 1.00 72.40 H new ATOM 0 HG12 VAL A 99 3.467 -12.990 6.386 1.00 72.40 H new ATOM 0 HG13 VAL A 99 1.747 -12.902 6.835 1.00 72.40 H new ATOM 0 HG21 VAL A 99 2.172 -13.755 9.770 1.00 73.42 H new ATOM 0 HG22 VAL A 99 0.894 -14.423 8.727 1.00 73.42 H new ATOM 0 HG23 VAL A 99 2.052 -15.514 9.525 1.00 73.42 H new ATOM 1478 N GLU A 100 3.796 -17.274 7.940 1.00 75.42 N ATOM 1479 CA GLU A 100 4.832 -18.292 8.070 1.00 41.22 C ATOM 1480 C GLU A 100 4.728 -19.321 6.948 1.00 42.11 C ATOM 1481 O GLU A 100 5.724 -19.927 6.555 1.00 60.25 O ATOM 1482 CB GLU A 100 4.726 -18.989 9.428 1.00 71.03 C ATOM 1483 CG GLU A 100 5.870 -18.659 10.372 1.00 34.33 C ATOM 1484 CD GLU A 100 6.091 -19.735 11.418 1.00 10.21 C ATOM 1485 OE1 GLU A 100 5.107 -20.141 12.070 1.00 15.21 O ATOM 1486 OE2 GLU A 100 7.250 -20.171 11.584 1.00 54.42 O ATOM 0 H GLU A 100 3.208 -17.162 8.766 1.00 75.42 H new ATOM 0 HA GLU A 100 5.801 -17.798 7.998 1.00 41.22 H new ATOM 0 HB2 GLU A 100 3.784 -18.707 9.899 1.00 71.03 H new ATOM 0 HB3 GLU A 100 4.694 -20.067 9.272 1.00 71.03 H new ATOM 0 HG2 GLU A 100 6.785 -18.525 9.795 1.00 34.33 H new ATOM 0 HG3 GLU A 100 5.664 -17.711 10.869 1.00 34.33 H new ATOM 1493 N GLU A 101 3.515 -19.512 6.438 1.00 3.23 N ATOM 1494 CA GLU A 101 3.281 -20.468 5.363 1.00 62.41 C ATOM 1495 C GLU A 101 3.454 -19.806 3.999 1.00 74.42 C ATOM 1496 O GLU A 101 3.646 -20.483 2.988 1.00 14.40 O ATOM 1497 CB GLU A 101 1.877 -21.066 5.478 1.00 2.33 C ATOM 1498 CG GLU A 101 1.515 -21.500 6.889 1.00 55.15 C ATOM 1499 CD GLU A 101 0.884 -20.384 7.699 1.00 44.33 C ATOM 1500 OE1 GLU A 101 -0.330 -20.143 7.532 1.00 62.00 O ATOM 1501 OE2 GLU A 101 1.605 -19.751 8.499 1.00 54.03 O ATOM 0 H GLU A 101 2.680 -19.017 6.752 1.00 3.23 H new ATOM 0 HA GLU A 101 4.017 -21.267 5.456 1.00 62.41 H new ATOM 0 HB2 GLU A 101 1.149 -20.331 5.135 1.00 2.33 H new ATOM 0 HB3 GLU A 101 1.801 -21.925 4.812 1.00 2.33 H new ATOM 0 HG2 GLU A 101 0.826 -22.343 6.840 1.00 55.15 H new ATOM 0 HG3 GLU A 101 2.412 -21.851 7.399 1.00 55.15 H new ATOM 1508 N PHE A 102 3.383 -18.480 3.979 1.00 42.44 N ATOM 1509 CA PHE A 102 3.530 -17.725 2.739 1.00 33.13 C ATOM 1510 C PHE A 102 4.999 -17.601 2.348 1.00 25.43 C ATOM 1511 O PHE A 102 5.416 -18.093 1.300 1.00 24.32 O ATOM 1512 CB PHE A 102 2.911 -16.334 2.888 1.00 2.54 C ATOM 1513 CG PHE A 102 2.922 -15.533 1.617 1.00 22.33 C ATOM 1514 CD1 PHE A 102 1.927 -15.702 0.668 1.00 10.02 C ATOM 1515 CD2 PHE A 102 3.928 -14.613 1.371 1.00 2.24 C ATOM 1516 CE1 PHE A 102 1.934 -14.967 -0.502 1.00 51.13 C ATOM 1517 CE2 PHE A 102 3.940 -13.875 0.203 1.00 2.30 C ATOM 1518 CZ PHE A 102 2.943 -14.053 -0.736 1.00 14.25 C ATOM 0 H PHE A 102 3.225 -17.905 4.807 1.00 42.44 H new ATOM 0 HA PHE A 102 3.007 -18.265 1.950 1.00 33.13 H new ATOM 0 HB2 PHE A 102 1.882 -16.438 3.233 1.00 2.54 H new ATOM 0 HB3 PHE A 102 3.452 -15.785 3.659 1.00 2.54 H new ATOM 0 HD1 PHE A 102 1.137 -16.417 0.845 1.00 10.02 H new ATOM 0 HD2 PHE A 102 4.712 -14.471 2.100 1.00 2.24 H new ATOM 0 HE1 PHE A 102 1.151 -15.107 -1.233 1.00 51.13 H new ATOM 0 HE2 PHE A 102 4.729 -13.159 0.024 1.00 2.30 H new ATOM 0 HZ PHE A 102 2.952 -13.479 -1.651 1.00 14.25 H new ATOM 1528 N GLN A 103 5.778 -16.941 3.199 1.00 42.42 N ATOM 1529 CA GLN A 103 7.201 -16.751 2.942 1.00 71.02 C ATOM 1530 C GLN A 103 7.895 -18.089 2.710 1.00 42.01 C ATOM 1531 O GLN A 103 8.870 -18.172 1.962 1.00 32.45 O ATOM 1532 CB GLN A 103 7.859 -16.018 4.112 1.00 52.30 C ATOM 1533 CG GLN A 103 7.685 -16.724 5.447 1.00 5.51 C ATOM 1534 CD GLN A 103 8.589 -16.161 6.526 1.00 24.03 C ATOM 1535 OE1 GLN A 103 9.223 -15.121 6.342 1.00 31.30 O ATOM 1536 NE2 GLN A 103 8.654 -16.847 7.662 1.00 51.33 N ATOM 0 H GLN A 103 5.448 -16.529 4.072 1.00 42.42 H new ATOM 0 HA GLN A 103 7.304 -16.147 2.040 1.00 71.02 H new ATOM 0 HB2 GLN A 103 8.923 -15.904 3.906 1.00 52.30 H new ATOM 0 HB3 GLN A 103 7.439 -15.015 4.184 1.00 52.30 H new ATOM 0 HG2 GLN A 103 6.647 -16.638 5.767 1.00 5.51 H new ATOM 0 HG3 GLN A 103 7.893 -17.787 5.322 1.00 5.51 H new ATOM 0 HE21 GLN A 103 8.112 -17.704 7.772 1.00 51.33 H new ATOM 0 HE22 GLN A 103 9.246 -16.517 8.424 1.00 51.33 H new ATOM 1545 N SER A 104 7.387 -19.134 3.356 1.00 41.42 N ATOM 1546 CA SER A 104 7.961 -20.468 3.223 1.00 1.51 C ATOM 1547 C SER A 104 7.775 -21.001 1.806 1.00 53.42 C ATOM 1548 O SER A 104 8.411 -21.977 1.408 1.00 24.45 O ATOM 1549 CB SER A 104 7.319 -21.425 4.229 1.00 55.32 C ATOM 1550 OG SER A 104 7.804 -22.745 4.058 1.00 31.11 O ATOM 0 H SER A 104 6.579 -19.082 3.977 1.00 41.42 H new ATOM 0 HA SER A 104 9.029 -20.399 3.429 1.00 1.51 H new ATOM 0 HB2 SER A 104 7.529 -21.086 5.243 1.00 55.32 H new ATOM 0 HB3 SER A 104 6.236 -21.413 4.107 1.00 55.32 H new ATOM 0 HG SER A 104 7.380 -23.337 4.714 1.00 31.11 H new ATOM 1556 N LEU A 105 6.898 -20.352 1.048 1.00 74.45 N ATOM 1557 CA LEU A 105 6.626 -20.760 -0.327 1.00 12.24 C ATOM 1558 C LEU A 105 7.316 -19.828 -1.318 1.00 21.15 C ATOM 1559 O LEU A 105 7.848 -20.271 -2.335 1.00 64.33 O ATOM 1560 CB LEU A 105 5.118 -20.773 -0.587 1.00 24.22 C ATOM 1561 CG LEU A 105 4.691 -20.923 -2.047 1.00 54.12 C ATOM 1562 CD1 LEU A 105 3.363 -21.659 -2.142 1.00 1.23 C ATOM 1563 CD2 LEU A 105 4.596 -19.560 -2.718 1.00 21.23 C ATOM 0 H LEU A 105 6.363 -19.542 1.361 1.00 74.45 H new ATOM 0 HA LEU A 105 7.022 -21.766 -0.467 1.00 12.24 H new ATOM 0 HB2 LEU A 105 4.678 -21.590 -0.015 1.00 24.22 H new ATOM 0 HB3 LEU A 105 4.694 -19.847 -0.199 1.00 24.22 H new ATOM 0 HG LEU A 105 5.447 -21.511 -2.568 1.00 54.12 H new ATOM 0 HD11 LEU A 105 3.075 -21.756 -3.189 1.00 1.23 H new ATOM 0 HD12 LEU A 105 3.464 -22.650 -1.700 1.00 1.23 H new ATOM 0 HD13 LEU A 105 2.597 -21.099 -1.606 1.00 1.23 H new ATOM 0 HD21 LEU A 105 4.291 -19.686 -3.757 1.00 21.23 H new ATOM 0 HD22 LEU A 105 3.861 -18.948 -2.196 1.00 21.23 H new ATOM 0 HD23 LEU A 105 5.568 -19.069 -2.683 1.00 21.23 H new ATOM 1575 N VAL A 106 7.305 -18.534 -1.012 1.00 22.41 N ATOM 1576 CA VAL A 106 7.933 -17.540 -1.874 1.00 1.04 C ATOM 1577 C VAL A 106 9.441 -17.753 -1.950 1.00 52.52 C ATOM 1578 O VAL A 106 10.030 -17.716 -3.031 1.00 23.35 O ATOM 1579 CB VAL A 106 7.652 -16.109 -1.377 1.00 71.30 C ATOM 1580 CG1 VAL A 106 8.200 -15.086 -2.359 1.00 44.42 C ATOM 1581 CG2 VAL A 106 6.160 -15.905 -1.159 1.00 24.13 C ATOM 0 H VAL A 106 6.868 -18.150 -0.174 1.00 22.41 H new ATOM 0 HA VAL A 106 7.501 -17.663 -2.867 1.00 1.04 H new ATOM 0 HB VAL A 106 8.158 -15.968 -0.422 1.00 71.30 H new ATOM 0 HG11 VAL A 106 7.992 -14.081 -1.991 1.00 44.42 H new ATOM 0 HG12 VAL A 106 9.277 -15.220 -2.461 1.00 44.42 H new ATOM 0 HG13 VAL A 106 7.724 -15.223 -3.330 1.00 44.42 H new ATOM 0 HG21 VAL A 106 5.979 -14.889 -0.808 1.00 24.13 H new ATOM 0 HG22 VAL A 106 5.630 -16.064 -2.098 1.00 24.13 H new ATOM 0 HG23 VAL A 106 5.801 -16.615 -0.415 1.00 24.13 H new ATOM 1591 N LYS A 107 10.061 -17.975 -0.796 1.00 73.02 N ATOM 1592 CA LYS A 107 11.500 -18.196 -0.731 1.00 4.33 C ATOM 1593 C LYS A 107 11.899 -19.430 -1.533 1.00 33.41 C ATOM 1594 O LYS A 107 13.066 -19.606 -1.881 1.00 20.14 O ATOM 1595 CB LYS A 107 11.947 -18.354 0.724 1.00 2.05 C ATOM 1596 CG LYS A 107 11.567 -17.179 1.609 1.00 40.03 C ATOM 1597 CD LYS A 107 11.481 -17.586 3.070 1.00 3.32 C ATOM 1598 CE LYS A 107 12.859 -17.659 3.710 1.00 22.31 C ATOM 1599 NZ LYS A 107 12.838 -18.426 4.986 1.00 32.33 N ATOM 0 H LYS A 107 9.589 -18.007 0.107 1.00 73.02 H new ATOM 0 HA LYS A 107 11.995 -17.327 -1.165 1.00 4.33 H new ATOM 0 HB2 LYS A 107 11.507 -19.263 1.134 1.00 2.05 H new ATOM 0 HB3 LYS A 107 13.029 -18.483 0.751 1.00 2.05 H new ATOM 0 HG2 LYS A 107 12.303 -16.383 1.495 1.00 40.03 H new ATOM 0 HG3 LYS A 107 10.608 -16.774 1.286 1.00 40.03 H new ATOM 0 HD2 LYS A 107 10.864 -16.870 3.613 1.00 3.32 H new ATOM 0 HD3 LYS A 107 10.989 -18.556 3.150 1.00 3.32 H new ATOM 0 HE2 LYS A 107 13.557 -18.127 3.016 1.00 22.31 H new ATOM 0 HE3 LYS A 107 13.226 -16.650 3.899 1.00 22.31 H new ATOM 0 HZ1 LYS A 107 13.796 -18.453 5.391 1.00 32.33 H new ATOM 0 HZ2 LYS A 107 12.191 -17.965 5.657 1.00 32.33 H new ATOM 0 HZ3 LYS A 107 12.513 -19.397 4.802 1.00 32.33 H new ATOM 1613 N ALA A 108 10.921 -20.282 -1.825 1.00 12.24 N ATOM 1614 CA ALA A 108 11.169 -21.498 -2.589 1.00 3.20 C ATOM 1615 C ALA A 108 10.954 -21.263 -4.080 1.00 53.51 C ATOM 1616 O ALA A 108 11.578 -21.915 -4.918 1.00 10.12 O ATOM 1617 CB ALA A 108 10.273 -22.624 -2.095 1.00 42.13 C ATOM 0 H ALA A 108 9.949 -20.152 -1.544 1.00 12.24 H new ATOM 0 HA ALA A 108 12.210 -21.785 -2.440 1.00 3.20 H new ATOM 0 HB1 ALA A 108 10.469 -23.526 -2.675 1.00 42.13 H new ATOM 0 HB2 ALA A 108 10.479 -22.817 -1.042 1.00 42.13 H new ATOM 0 HB3 ALA A 108 9.228 -22.336 -2.214 1.00 42.13 H new TER 1623 ALA A 108