USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 821 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 87 SER OG : rot 167:sc= 0.323 USER MOD Set 1.2: A 89 GLN : amide:sc= -1.71 K(o=-1.4,f=0.51) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -142:sc= -0.312 (180deg=0) USER MOD Set 2.2: A 80 GLN : amide:sc= -1.53 X(o=-3,f=-2.7) USER MOD Set 2.3: A 84 THR OG1 : rot -130:sc= -1.18 USER MOD Set 3.1: A 50 HIS : no HD1:sc= -0.197 X(o=-0.29,f=-0.72) USER MOD Set 3.2: A 105 CYS SG : rot -43:sc= -0.0877 USER MOD Set 4.1: A 44 SER OG : rot 18:sc= 1.32 USER MOD Set 4.2: A 51 SER OG : rot 67:sc= 0.129 USER MOD Set 4.3: A 52 THR OG1 : rot -22:sc= 1.2 USER MOD Single : A 38 ASN : amide:sc= -0.0432 X(o=-0.043,f=-0.023) USER MOD Single : A 41 MET CE :methyl -147:sc= -4.53 (180deg=-6.07!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -3:sc= -0.802 USER MOD Single : A 55 LYS NZ :NH3+ -133:sc= -0.693 (180deg=-3.36!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 1:sc= 0.682 USER MOD Single : A 65 TYR OH : rot 130:sc= -0.693 USER MOD Single : A 66 ASN : amide:sc= -1.13 K(o=-1.1,f=-6.2!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.68 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 160:sc= 0.0822 USER MOD Single : A 94 ASN : amide:sc= -3.41! C(o=-3.4!,f=-3.3!) USER MOD Single : A 98 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.86) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0657 K(o=-0.066,f=-0.68) USER MOD Single : A 108 THR OG1 : rot -107:sc= -1.51 USER MOD Single : A 110 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.1!) USER MOD Single : A 112 HIS : no HD1:sc= -3.13! C(o=-3.1!,f=-3.3!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN : amide:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 23 -0.434 -2.748 0.426 1.00 23.30 N ATOM 2 CA ALA A 23 0.585 -2.280 -0.505 1.00 24.44 C ATOM 3 C ALA A 23 1.068 -3.412 -1.406 1.00 0.31 C ATOM 4 O ALA A 23 1.644 -3.170 -2.466 1.00 52.43 O ATOM 5 CB ALA A 23 1.755 -1.674 0.256 1.00 45.32 C ATOM 0 HA ALA A 23 0.139 -1.513 -1.138 1.00 24.44 H new ATOM 0 HB1 ALA A 23 2.509 -1.328 -0.451 1.00 45.32 H new ATOM 0 HB2 ALA A 23 1.404 -0.832 0.853 1.00 45.32 H new ATOM 0 HB3 ALA A 23 2.191 -2.427 0.912 1.00 45.32 H new ATOM 11 N ARG A 24 0.829 -4.646 -0.977 1.00 22.22 N ATOM 12 CA ARG A 24 1.241 -5.815 -1.745 1.00 2.11 C ATOM 13 C ARG A 24 0.765 -5.711 -3.191 1.00 31.11 C ATOM 14 O ARG A 24 1.412 -6.222 -4.105 1.00 14.22 O ATOM 15 CB ARG A 24 0.690 -7.092 -1.106 1.00 63.04 C ATOM 16 CG ARG A 24 -0.828 -7.169 -1.110 1.00 45.31 C ATOM 17 CD ARG A 24 -1.343 -8.063 0.007 1.00 2.12 C ATOM 18 NE ARG A 24 -1.126 -7.472 1.326 1.00 61.43 N ATOM 19 CZ ARG A 24 -1.568 -8.014 2.455 1.00 64.31 C ATOM 20 NH1 ARG A 24 -2.246 -9.153 2.427 1.00 5.20 N ATOM 21 NH2 ARG A 24 -1.330 -7.417 3.615 1.00 31.33 N ATOM 0 H ARG A 24 0.352 -4.863 -0.102 1.00 22.22 H new ATOM 0 HA ARG A 24 2.330 -5.856 -1.741 1.00 2.11 H new ATOM 0 HB2 ARG A 24 1.091 -7.956 -1.637 1.00 63.04 H new ATOM 0 HB3 ARG A 24 1.046 -7.156 -0.078 1.00 63.04 H new ATOM 0 HG2 ARG A 24 -1.245 -6.168 -0.998 1.00 45.31 H new ATOM 0 HG3 ARG A 24 -1.172 -7.551 -2.071 1.00 45.31 H new ATOM 0 HD2 ARG A 24 -2.408 -8.246 -0.137 1.00 2.12 H new ATOM 0 HD3 ARG A 24 -0.843 -9.030 -0.043 1.00 2.12 H new ATOM 0 HE ARG A 24 -0.607 -6.596 1.382 1.00 61.43 H new ATOM 0 HH11 ARG A 24 -2.429 -9.616 1.537 1.00 5.20 H new ATOM 0 HH12 ARG A 24 -2.584 -9.567 3.296 1.00 5.20 H new ATOM 0 HH21 ARG A 24 -0.807 -6.541 3.640 1.00 31.33 H new ATOM 0 HH22 ARG A 24 -1.670 -7.833 4.482 1.00 31.33 H new ATOM 35 N GLU A 25 -0.369 -5.047 -3.388 1.00 42.43 N ATOM 36 CA GLU A 25 -0.932 -4.878 -4.723 1.00 45.31 C ATOM 37 C GLU A 25 -0.175 -3.804 -5.500 1.00 11.32 C ATOM 38 O GLU A 25 0.020 -3.919 -6.709 1.00 25.53 O ATOM 39 CB GLU A 25 -2.414 -4.509 -4.633 1.00 72.11 C ATOM 40 CG GLU A 25 -2.675 -3.212 -3.885 1.00 21.43 C ATOM 41 CD GLU A 25 -3.941 -3.265 -3.052 1.00 24.03 C ATOM 42 OE1 GLU A 25 -3.891 -3.806 -1.927 1.00 43.24 O ATOM 43 OE2 GLU A 25 -4.983 -2.764 -3.525 1.00 4.11 O ATOM 0 H GLU A 25 -0.916 -4.618 -2.642 1.00 42.43 H new ATOM 0 HA GLU A 25 -0.833 -5.825 -5.254 1.00 45.31 H new ATOM 0 HB2 GLU A 25 -2.821 -4.425 -5.641 1.00 72.11 H new ATOM 0 HB3 GLU A 25 -2.952 -5.318 -4.139 1.00 72.11 H new ATOM 0 HG2 GLU A 25 -1.827 -2.994 -3.237 1.00 21.43 H new ATOM 0 HG3 GLU A 25 -2.749 -2.393 -4.600 1.00 21.43 H new ATOM 50 N GLU A 26 0.246 -2.758 -4.795 1.00 71.23 N ATOM 51 CA GLU A 26 0.979 -1.663 -5.419 1.00 45.53 C ATOM 52 C GLU A 26 2.230 -2.178 -6.124 1.00 43.45 C ATOM 53 O GLU A 26 2.432 -1.930 -7.314 1.00 45.31 O ATOM 54 CB GLU A 26 1.365 -0.616 -4.371 1.00 73.23 C ATOM 55 CG GLU A 26 0.658 0.716 -4.553 1.00 11.54 C ATOM 56 CD GLU A 26 0.734 1.590 -3.316 1.00 4.24 C ATOM 57 OE1 GLU A 26 0.567 1.055 -2.200 1.00 73.24 O ATOM 58 OE2 GLU A 26 0.962 2.810 -3.464 1.00 74.20 O ATOM 0 H GLU A 26 0.092 -2.646 -3.793 1.00 71.23 H new ATOM 0 HA GLU A 26 0.329 -1.201 -6.162 1.00 45.53 H new ATOM 0 HB2 GLU A 26 1.137 -1.006 -3.379 1.00 73.23 H new ATOM 0 HB3 GLU A 26 2.442 -0.454 -4.411 1.00 73.23 H new ATOM 0 HG2 GLU A 26 1.101 1.246 -5.396 1.00 11.54 H new ATOM 0 HG3 GLU A 26 -0.388 0.537 -4.803 1.00 11.54 H new ATOM 65 N LEU A 27 3.067 -2.894 -5.383 1.00 71.54 N ATOM 66 CA LEU A 27 4.300 -3.445 -5.936 1.00 14.30 C ATOM 67 C LEU A 27 4.002 -4.402 -7.086 1.00 73.13 C ATOM 68 O LEU A 27 4.576 -4.285 -8.169 1.00 23.24 O ATOM 69 CB LEU A 27 5.092 -4.170 -4.847 1.00 73.30 C ATOM 70 CG LEU A 27 6.145 -5.166 -5.333 1.00 63.30 C ATOM 71 CD1 LEU A 27 7.484 -4.896 -4.664 1.00 44.13 C ATOM 72 CD2 LEU A 27 5.692 -6.595 -5.066 1.00 52.01 C ATOM 0 H LEU A 27 2.915 -3.107 -4.397 1.00 71.54 H new ATOM 0 HA LEU A 27 4.897 -2.618 -6.321 1.00 14.30 H new ATOM 0 HB2 LEU A 27 5.587 -3.422 -4.227 1.00 73.30 H new ATOM 0 HB3 LEU A 27 4.388 -4.700 -4.206 1.00 73.30 H new ATOM 0 HG LEU A 27 6.267 -5.040 -6.409 1.00 63.30 H new ATOM 0 HD11 LEU A 27 8.221 -5.615 -5.022 1.00 44.13 H new ATOM 0 HD12 LEU A 27 7.815 -3.886 -4.906 1.00 44.13 H new ATOM 0 HD13 LEU A 27 7.377 -4.994 -3.584 1.00 44.13 H new ATOM 0 HD21 LEU A 27 6.454 -7.290 -5.419 1.00 52.01 H new ATOM 0 HD22 LEU A 27 5.541 -6.735 -3.996 1.00 52.01 H new ATOM 0 HD23 LEU A 27 4.757 -6.785 -5.592 1.00 52.01 H new ATOM 84 N ARG A 28 3.097 -5.346 -6.844 1.00 45.12 N ATOM 85 CA ARG A 28 2.722 -6.322 -7.860 1.00 1.24 C ATOM 86 C ARG A 28 2.322 -5.629 -9.158 1.00 41.12 C ATOM 87 O ARG A 28 2.613 -6.118 -10.250 1.00 43.33 O ATOM 88 CB ARG A 28 1.568 -7.193 -7.358 1.00 64.23 C ATOM 89 CG ARG A 28 1.440 -8.517 -8.094 1.00 53.13 C ATOM 90 CD ARG A 28 0.899 -8.321 -9.502 1.00 13.51 C ATOM 91 NE ARG A 28 -0.184 -9.252 -9.806 1.00 54.41 N ATOM 92 CZ ARG A 28 0.012 -10.492 -10.240 1.00 61.12 C ATOM 93 NH1 ARG A 28 1.244 -10.947 -10.420 1.00 50.20 N ATOM 94 NH2 ARG A 28 -1.025 -11.279 -10.495 1.00 12.21 N ATOM 0 H ARG A 28 2.611 -5.455 -5.954 1.00 45.12 H new ATOM 0 HA ARG A 28 3.587 -6.954 -8.058 1.00 1.24 H new ATOM 0 HB2 ARG A 28 1.708 -7.390 -6.295 1.00 64.23 H new ATOM 0 HB3 ARG A 28 0.635 -6.639 -7.459 1.00 64.23 H new ATOM 0 HG2 ARG A 28 2.414 -9.004 -8.142 1.00 53.13 H new ATOM 0 HG3 ARG A 28 0.779 -9.181 -7.538 1.00 53.13 H new ATOM 0 HD2 ARG A 28 0.540 -7.298 -9.613 1.00 13.51 H new ATOM 0 HD3 ARG A 28 1.706 -8.456 -10.222 1.00 13.51 H new ATOM 0 HE ARG A 28 -1.144 -8.932 -9.678 1.00 54.41 H new ATOM 0 HH11 ARG A 28 2.044 -10.345 -10.225 1.00 50.20 H new ATOM 0 HH12 ARG A 28 1.392 -11.900 -10.753 1.00 50.20 H new ATOM 0 HH21 ARG A 28 -1.974 -10.932 -10.358 1.00 12.21 H new ATOM 0 HH22 ARG A 28 -0.873 -12.231 -10.828 1.00 12.21 H new ATOM 108 N ARG A 29 1.653 -4.488 -9.033 1.00 11.44 N ATOM 109 CA ARG A 29 1.211 -3.728 -10.196 1.00 63.14 C ATOM 110 C ARG A 29 2.391 -3.389 -11.104 1.00 4.14 C ATOM 111 O ARG A 29 2.220 -3.158 -12.300 1.00 74.14 O ATOM 112 CB ARG A 29 0.507 -2.443 -9.756 1.00 51.20 C ATOM 113 CG ARG A 29 -0.878 -2.272 -10.356 1.00 53.32 C ATOM 114 CD ARG A 29 -1.835 -3.346 -9.864 1.00 74.42 C ATOM 115 NE ARG A 29 -3.108 -3.317 -10.581 1.00 62.23 N ATOM 116 CZ ARG A 29 -4.075 -4.207 -10.397 1.00 73.45 C ATOM 117 NH1 ARG A 29 -3.917 -5.193 -9.525 1.00 1.44 N ATOM 118 NH2 ARG A 29 -5.204 -4.114 -11.087 1.00 54.14 N ATOM 0 H ARG A 29 1.405 -4.069 -8.137 1.00 11.44 H new ATOM 0 HA ARG A 29 0.508 -4.345 -10.756 1.00 63.14 H new ATOM 0 HB2 ARG A 29 0.426 -2.437 -8.669 1.00 51.20 H new ATOM 0 HB3 ARG A 29 1.123 -1.588 -10.035 1.00 51.20 H new ATOM 0 HG2 ARG A 29 -1.269 -1.288 -10.097 1.00 53.32 H new ATOM 0 HG3 ARG A 29 -0.812 -2.312 -11.443 1.00 53.32 H new ATOM 0 HD2 ARG A 29 -1.373 -4.326 -9.985 1.00 74.42 H new ATOM 0 HD3 ARG A 29 -2.016 -3.209 -8.798 1.00 74.42 H new ATOM 0 HE ARG A 29 -3.262 -2.572 -11.260 1.00 62.23 H new ATOM 0 HH11 ARG A 29 -3.050 -5.269 -8.993 1.00 1.44 H new ATOM 0 HH12 ARG A 29 -4.662 -5.875 -9.386 1.00 1.44 H new ATOM 0 HH21 ARG A 29 -5.330 -3.358 -11.760 1.00 54.14 H new ATOM 0 HH22 ARG A 29 -5.947 -4.799 -10.945 1.00 54.14 H new ATOM 132 N ARG A 30 3.587 -3.360 -10.525 1.00 13.03 N ATOM 133 CA ARG A 30 4.794 -3.048 -11.280 1.00 2.42 C ATOM 134 C ARG A 30 5.369 -4.303 -11.930 1.00 21.32 C ATOM 135 O ARG A 30 5.838 -4.266 -13.068 1.00 64.51 O ATOM 136 CB ARG A 30 5.841 -2.408 -10.367 1.00 1.21 C ATOM 137 CG ARG A 30 6.194 -0.980 -10.752 1.00 12.22 C ATOM 138 CD ARG A 30 5.705 0.014 -9.709 1.00 53.34 C ATOM 139 NE ARG A 30 5.349 1.299 -10.305 1.00 14.35 N ATOM 140 CZ ARG A 30 6.240 2.158 -10.787 1.00 1.02 C ATOM 141 NH1 ARG A 30 7.534 1.870 -10.745 1.00 60.34 N ATOM 142 NH2 ARG A 30 5.838 3.308 -11.314 1.00 32.25 N ATOM 0 H ARG A 30 3.746 -3.549 -9.535 1.00 13.03 H new ATOM 0 HA ARG A 30 4.528 -2.342 -12.067 1.00 2.42 H new ATOM 0 HB2 ARG A 30 5.471 -2.418 -9.342 1.00 1.21 H new ATOM 0 HB3 ARG A 30 6.746 -3.015 -10.385 1.00 1.21 H new ATOM 0 HG2 ARG A 30 7.274 -0.889 -10.865 1.00 12.22 H new ATOM 0 HG3 ARG A 30 5.751 -0.742 -11.719 1.00 12.22 H new ATOM 0 HD2 ARG A 30 4.839 -0.399 -9.192 1.00 53.34 H new ATOM 0 HD3 ARG A 30 6.481 0.165 -8.959 1.00 53.34 H new ATOM 0 HE ARG A 30 4.362 1.551 -10.354 1.00 14.35 H new ATOM 0 HH11 ARG A 30 7.847 0.987 -10.342 1.00 60.34 H new ATOM 0 HH12 ARG A 30 8.216 2.532 -11.116 1.00 60.34 H new ATOM 0 HH21 ARG A 30 4.844 3.533 -11.349 1.00 32.25 H new ATOM 0 HH22 ARG A 30 6.523 3.967 -11.684 1.00 32.25 H new ATOM 156 N LEU A 31 5.330 -5.412 -11.199 1.00 34.22 N ATOM 157 CA LEU A 31 5.848 -6.679 -11.704 1.00 32.02 C ATOM 158 C LEU A 31 5.007 -7.184 -12.872 1.00 32.21 C ATOM 159 O LEU A 31 5.510 -7.877 -13.758 1.00 12.42 O ATOM 160 CB LEU A 31 5.869 -7.725 -10.587 1.00 11.21 C ATOM 161 CG LEU A 31 6.377 -7.244 -9.227 1.00 13.32 C ATOM 162 CD1 LEU A 31 6.291 -8.362 -8.200 1.00 31.35 C ATOM 163 CD2 LEU A 31 7.804 -6.731 -9.341 1.00 43.32 C ATOM 0 H LEU A 31 4.945 -5.459 -10.255 1.00 34.22 H new ATOM 0 HA LEU A 31 6.866 -6.512 -12.058 1.00 32.02 H new ATOM 0 HB2 LEU A 31 4.858 -8.111 -10.459 1.00 11.21 H new ATOM 0 HB3 LEU A 31 6.491 -8.560 -10.910 1.00 11.21 H new ATOM 0 HG LEU A 31 5.743 -6.422 -8.894 1.00 13.32 H new ATOM 0 HD11 LEU A 31 6.657 -8.002 -7.238 1.00 31.35 H new ATOM 0 HD12 LEU A 31 5.254 -8.683 -8.097 1.00 31.35 H new ATOM 0 HD13 LEU A 31 6.900 -9.204 -8.527 1.00 31.35 H new ATOM 0 HD21 LEU A 31 8.148 -6.393 -8.364 1.00 43.32 H new ATOM 0 HD22 LEU A 31 8.451 -7.532 -9.697 1.00 43.32 H new ATOM 0 HD23 LEU A 31 7.836 -5.899 -10.045 1.00 43.32 H new ATOM 175 N ARG A 32 3.726 -6.830 -12.869 1.00 73.33 N ATOM 176 CA ARG A 32 2.817 -7.247 -13.929 1.00 74.32 C ATOM 177 C ARG A 32 2.884 -6.285 -15.112 1.00 72.13 C ATOM 178 O ARG A 32 3.189 -6.687 -16.235 1.00 72.33 O ATOM 179 CB ARG A 32 1.383 -7.321 -13.401 1.00 35.50 C ATOM 180 CG ARG A 32 0.447 -8.127 -14.288 1.00 24.21 C ATOM 181 CD ARG A 32 -0.589 -8.878 -13.467 1.00 71.54 C ATOM 182 NE ARG A 32 -1.602 -9.509 -14.309 1.00 42.35 N ATOM 183 CZ ARG A 32 -2.733 -10.023 -13.839 1.00 41.14 C ATOM 184 NH1 ARG A 32 -2.993 -9.981 -12.539 1.00 74.44 N ATOM 185 NH2 ARG A 32 -3.605 -10.581 -14.669 1.00 14.34 N ATOM 0 H ARG A 32 3.295 -6.256 -12.145 1.00 73.33 H new ATOM 0 HA ARG A 32 3.124 -8.236 -14.268 1.00 74.32 H new ATOM 0 HB2 ARG A 32 1.394 -7.762 -12.404 1.00 35.50 H new ATOM 0 HB3 ARG A 32 0.990 -6.309 -13.298 1.00 35.50 H new ATOM 0 HG2 ARG A 32 -0.056 -7.460 -14.989 1.00 24.21 H new ATOM 0 HG3 ARG A 32 1.026 -8.835 -14.881 1.00 24.21 H new ATOM 0 HD2 ARG A 32 -0.092 -9.639 -12.865 1.00 71.54 H new ATOM 0 HD3 ARG A 32 -1.072 -8.189 -12.774 1.00 71.54 H new ATOM 0 HE ARG A 32 -1.431 -9.558 -15.313 1.00 42.35 H new ATOM 0 HH11 ARG A 32 -2.324 -9.554 -11.899 1.00 74.44 H new ATOM 0 HH12 ARG A 32 -3.862 -10.376 -12.180 1.00 74.44 H new ATOM 0 HH21 ARG A 32 -3.407 -10.616 -15.669 1.00 14.34 H new ATOM 0 HH22 ARG A 32 -4.473 -10.975 -14.307 1.00 14.34 H new ATOM 199 N ASP A 33 2.597 -5.015 -14.852 1.00 1.21 N ATOM 200 CA ASP A 33 2.626 -3.995 -15.895 1.00 62.32 C ATOM 201 C ASP A 33 3.966 -4.002 -16.624 1.00 72.42 C ATOM 202 O ASP A 33 4.040 -3.678 -17.810 1.00 62.51 O ATOM 203 CB ASP A 33 2.365 -2.614 -15.294 1.00 2.42 C ATOM 204 CG ASP A 33 0.959 -2.477 -14.744 1.00 22.21 C ATOM 205 OD1 ASP A 33 0.313 -3.519 -14.503 1.00 44.44 O ATOM 206 OD2 ASP A 33 0.504 -1.330 -14.556 1.00 14.04 O ATOM 0 H ASP A 33 2.341 -4.666 -13.928 1.00 1.21 H new ATOM 0 HA ASP A 33 1.840 -4.223 -16.615 1.00 62.32 H new ATOM 0 HB2 ASP A 33 3.084 -2.427 -14.496 1.00 2.42 H new ATOM 0 HB3 ASP A 33 2.529 -1.852 -16.056 1.00 2.42 H new ATOM 211 N LEU A 34 5.022 -4.371 -15.908 1.00 14.23 N ATOM 212 CA LEU A 34 6.360 -4.418 -16.486 1.00 61.05 C ATOM 213 C LEU A 34 6.401 -5.355 -17.690 1.00 15.51 C ATOM 214 O LEU A 34 7.274 -5.239 -18.549 1.00 60.42 O ATOM 215 CB LEU A 34 7.375 -4.875 -15.436 1.00 42.35 C ATOM 216 CG LEU A 34 8.745 -5.297 -15.967 1.00 44.13 C ATOM 217 CD1 LEU A 34 9.316 -4.227 -16.885 1.00 33.33 C ATOM 218 CD2 LEU A 34 9.699 -5.578 -14.815 1.00 45.01 C ATOM 0 H LEU A 34 4.978 -4.642 -14.926 1.00 14.23 H new ATOM 0 HA LEU A 34 6.619 -3.414 -16.821 1.00 61.05 H new ATOM 0 HB2 LEU A 34 7.518 -4.065 -14.721 1.00 42.35 H new ATOM 0 HB3 LEU A 34 6.947 -5.713 -14.886 1.00 42.35 H new ATOM 0 HG LEU A 34 8.623 -6.213 -16.544 1.00 44.13 H new ATOM 0 HD11 LEU A 34 10.291 -4.546 -17.253 1.00 33.33 H new ATOM 0 HD12 LEU A 34 8.643 -4.074 -17.728 1.00 33.33 H new ATOM 0 HD13 LEU A 34 9.424 -3.293 -16.333 1.00 33.33 H new ATOM 0 HD21 LEU A 34 10.669 -5.877 -15.211 1.00 45.01 H new ATOM 0 HD22 LEU A 34 9.815 -4.678 -14.211 1.00 45.01 H new ATOM 0 HD23 LEU A 34 9.296 -6.380 -14.197 1.00 45.01 H new ATOM 230 N ILE A 35 5.448 -6.280 -17.744 1.00 51.43 N ATOM 231 CA ILE A 35 5.373 -7.234 -18.844 1.00 3.02 C ATOM 232 C ILE A 35 4.642 -6.637 -20.041 1.00 51.43 C ATOM 233 O ILE A 35 4.829 -7.073 -21.177 1.00 31.22 O ATOM 234 CB ILE A 35 4.661 -8.531 -18.417 1.00 11.24 C ATOM 235 CG1 ILE A 35 5.502 -9.285 -17.385 1.00 14.14 C ATOM 236 CG2 ILE A 35 4.388 -9.409 -19.628 1.00 52.53 C ATOM 237 CD1 ILE A 35 4.815 -9.447 -16.048 1.00 14.12 C ATOM 0 H ILE A 35 4.718 -6.389 -17.040 1.00 51.43 H new ATOM 0 HA ILE A 35 6.399 -7.469 -19.128 1.00 3.02 H new ATOM 0 HB ILE A 35 3.707 -8.270 -17.959 1.00 11.24 H new ATOM 0 HG12 ILE A 35 5.749 -10.271 -17.779 1.00 14.14 H new ATOM 0 HG13 ILE A 35 6.444 -8.756 -17.239 1.00 14.14 H new ATOM 0 HG21 ILE A 35 3.884 -10.322 -19.310 1.00 52.53 H new ATOM 0 HG22 ILE A 35 3.753 -8.871 -20.332 1.00 52.53 H new ATOM 0 HG23 ILE A 35 5.331 -9.665 -20.112 1.00 52.53 H new ATOM 0 HD11 ILE A 35 5.469 -9.990 -15.366 1.00 14.12 H new ATOM 0 HD12 ILE A 35 4.593 -8.464 -15.632 1.00 14.12 H new ATOM 0 HD13 ILE A 35 3.887 -10.003 -16.181 1.00 14.12 H new ATOM 249 N GLU A 36 3.810 -5.633 -19.779 1.00 71.30 N ATOM 250 CA GLU A 36 3.051 -4.975 -20.837 1.00 10.10 C ATOM 251 C GLU A 36 3.900 -3.918 -21.538 1.00 22.23 C ATOM 252 O GLU A 36 3.692 -3.619 -22.713 1.00 10.41 O ATOM 253 CB GLU A 36 1.787 -4.331 -20.263 1.00 3.55 C ATOM 254 CG GLU A 36 0.796 -5.334 -19.697 1.00 4.11 C ATOM 255 CD GLU A 36 -0.644 -4.891 -19.867 1.00 12.33 C ATOM 256 OE1 GLU A 36 -0.924 -3.692 -19.655 1.00 43.22 O ATOM 257 OE2 GLU A 36 -1.490 -5.741 -20.211 1.00 13.12 O ATOM 0 H GLU A 36 3.645 -5.258 -18.845 1.00 71.30 H new ATOM 0 HA GLU A 36 2.765 -5.731 -21.568 1.00 10.10 H new ATOM 0 HB2 GLU A 36 2.071 -3.631 -19.478 1.00 3.55 H new ATOM 0 HB3 GLU A 36 1.297 -3.751 -21.045 1.00 3.55 H new ATOM 0 HG2 GLU A 36 0.937 -6.296 -20.190 1.00 4.11 H new ATOM 0 HG3 GLU A 36 1.003 -5.485 -18.638 1.00 4.11 H new ATOM 264 N GLY A 37 4.858 -3.357 -20.807 1.00 44.23 N ATOM 265 CA GLY A 37 5.724 -2.340 -21.375 1.00 0.34 C ATOM 266 C GLY A 37 6.799 -2.926 -22.268 1.00 42.12 C ATOM 267 O GLY A 37 7.458 -2.202 -23.014 1.00 63.12 O ATOM 0 H GLY A 37 5.050 -3.588 -19.832 1.00 44.23 H new ATOM 0 HA2 GLY A 37 5.123 -1.635 -21.950 1.00 0.34 H new ATOM 0 HA3 GLY A 37 6.193 -1.776 -20.569 1.00 0.34 H new ATOM 271 N ASN A 38 6.978 -4.240 -22.191 1.00 64.52 N ATOM 272 CA ASN A 38 7.983 -4.923 -22.998 1.00 4.21 C ATOM 273 C ASN A 38 7.423 -6.214 -23.587 1.00 50.34 C ATOM 274 O ASN A 38 6.705 -6.955 -22.915 1.00 43.23 O ATOM 275 CB ASN A 38 9.223 -5.230 -22.154 1.00 72.42 C ATOM 276 CG ASN A 38 9.929 -3.974 -21.685 1.00 51.15 C ATOM 277 OD1 ASN A 38 10.873 -3.504 -22.322 1.00 74.04 O ATOM 278 ND2 ASN A 38 9.475 -3.422 -20.566 1.00 22.52 N ATOM 0 H ASN A 38 6.441 -4.853 -21.578 1.00 64.52 H new ATOM 0 HA ASN A 38 8.264 -4.262 -23.818 1.00 4.21 H new ATOM 0 HB2 ASN A 38 8.931 -5.824 -21.288 1.00 72.42 H new ATOM 0 HB3 ASN A 38 9.916 -5.836 -22.738 1.00 72.42 H new ATOM 0 HD21 ASN A 38 9.911 -2.575 -20.202 1.00 22.52 H new ATOM 0 HD22 ASN A 38 8.690 -3.845 -20.070 1.00 22.52 H new ATOM 285 N ARG A 39 7.756 -6.477 -24.847 1.00 4.24 N ATOM 286 CA ARG A 39 7.286 -7.677 -25.527 1.00 21.51 C ATOM 287 C ARG A 39 7.533 -8.917 -24.673 1.00 64.44 C ATOM 288 O ARG A 39 6.617 -9.697 -24.411 1.00 3.41 O ATOM 289 CB ARG A 39 7.983 -7.829 -26.880 1.00 44.22 C ATOM 290 CG ARG A 39 7.535 -9.053 -27.662 1.00 43.10 C ATOM 291 CD ARG A 39 6.021 -9.111 -27.788 1.00 1.41 C ATOM 292 NE ARG A 39 5.483 -7.934 -28.467 1.00 21.51 N ATOM 293 CZ ARG A 39 5.552 -7.749 -29.781 1.00 43.31 C ATOM 294 NH1 ARG A 39 6.134 -8.657 -30.552 1.00 62.23 N ATOM 295 NH2 ARG A 39 5.039 -6.653 -30.325 1.00 41.45 N ATOM 0 H ARG A 39 8.350 -5.875 -25.417 1.00 4.24 H new ATOM 0 HA ARG A 39 6.213 -7.576 -25.689 1.00 21.51 H new ATOM 0 HB2 ARG A 39 7.795 -6.937 -27.478 1.00 44.22 H new ATOM 0 HB3 ARG A 39 9.060 -7.884 -26.720 1.00 44.22 H new ATOM 0 HG2 ARG A 39 7.983 -9.035 -28.655 1.00 43.10 H new ATOM 0 HG3 ARG A 39 7.895 -9.955 -27.166 1.00 43.10 H new ATOM 0 HD2 ARG A 39 5.737 -10.008 -28.338 1.00 1.41 H new ATOM 0 HD3 ARG A 39 5.577 -9.192 -26.796 1.00 1.41 H new ATOM 0 HE ARG A 39 5.030 -7.216 -27.902 1.00 21.51 H new ATOM 0 HH11 ARG A 39 6.530 -9.500 -30.137 1.00 62.23 H new ATOM 0 HH12 ARG A 39 6.186 -8.512 -31.560 1.00 62.23 H new ATOM 0 HH21 ARG A 39 4.591 -5.952 -29.734 1.00 41.45 H new ATOM 0 HH22 ARG A 39 5.092 -6.511 -31.334 1.00 41.45 H new ATOM 309 N VAL A 40 8.779 -9.095 -24.244 1.00 22.31 N ATOM 310 CA VAL A 40 9.147 -10.241 -23.421 1.00 10.34 C ATOM 311 C VAL A 40 9.711 -9.793 -22.077 1.00 13.22 C ATOM 312 O VAL A 40 10.592 -8.937 -22.016 1.00 43.11 O ATOM 313 CB VAL A 40 10.186 -11.131 -24.128 1.00 42.33 C ATOM 314 CG1 VAL A 40 10.470 -12.378 -23.306 1.00 61.43 C ATOM 315 CG2 VAL A 40 9.707 -11.500 -25.524 1.00 61.00 C ATOM 0 H VAL A 40 9.550 -8.461 -24.453 1.00 22.31 H new ATOM 0 HA VAL A 40 8.237 -10.818 -23.258 1.00 10.34 H new ATOM 0 HB VAL A 40 11.115 -10.570 -24.223 1.00 42.33 H new ATOM 0 HG11 VAL A 40 11.206 -12.994 -23.822 1.00 61.43 H new ATOM 0 HG12 VAL A 40 10.859 -12.089 -22.329 1.00 61.43 H new ATOM 0 HG13 VAL A 40 9.549 -12.946 -23.176 1.00 61.43 H new ATOM 0 HG21 VAL A 40 10.453 -12.129 -26.010 1.00 61.00 H new ATOM 0 HG22 VAL A 40 8.764 -12.043 -25.454 1.00 61.00 H new ATOM 0 HG23 VAL A 40 9.560 -10.593 -26.110 1.00 61.00 H new ATOM 325 N MET A 41 9.194 -10.377 -21.000 1.00 41.33 N ATOM 326 CA MET A 41 9.647 -10.038 -19.656 1.00 63.32 C ATOM 327 C MET A 41 9.936 -11.299 -18.846 1.00 13.41 C ATOM 328 O MET A 41 9.118 -12.218 -18.800 1.00 21.42 O ATOM 329 CB MET A 41 8.597 -9.188 -18.939 1.00 53.14 C ATOM 330 CG MET A 41 9.052 -7.763 -18.666 1.00 71.31 C ATOM 331 SD MET A 41 10.565 -7.694 -17.688 1.00 63.12 S ATOM 332 CE MET A 41 10.120 -8.736 -16.301 1.00 62.32 C ATOM 0 H MET A 41 8.462 -11.086 -21.032 1.00 41.33 H new ATOM 0 HA MET A 41 10.569 -9.464 -19.745 1.00 63.32 H new ATOM 0 HB2 MET A 41 7.689 -9.162 -19.542 1.00 53.14 H new ATOM 0 HB3 MET A 41 8.338 -9.666 -17.994 1.00 53.14 H new ATOM 0 HG2 MET A 41 9.213 -7.249 -19.614 1.00 71.31 H new ATOM 0 HG3 MET A 41 8.261 -7.227 -18.142 1.00 71.31 H new ATOM 0 HE1 MET A 41 10.611 -8.370 -15.399 1.00 62.32 H new ATOM 0 HE2 MET A 41 9.039 -8.713 -16.161 1.00 62.32 H new ATOM 0 HE3 MET A 41 10.439 -9.760 -16.498 1.00 62.32 H new ATOM 342 N ILE A 42 11.102 -11.334 -18.211 1.00 0.41 N ATOM 343 CA ILE A 42 11.496 -12.481 -17.402 1.00 61.53 C ATOM 344 C ILE A 42 12.115 -12.036 -16.082 1.00 74.21 C ATOM 345 O ILE A 42 13.022 -11.204 -16.057 1.00 71.43 O ATOM 346 CB ILE A 42 12.501 -13.378 -18.151 1.00 71.21 C ATOM 347 CG1 ILE A 42 13.018 -12.667 -19.402 1.00 70.34 C ATOM 348 CG2 ILE A 42 11.855 -14.705 -18.517 1.00 73.15 C ATOM 349 CD1 ILE A 42 12.031 -12.666 -20.550 1.00 21.54 C ATOM 0 H ILE A 42 11.790 -10.582 -18.241 1.00 0.41 H new ATOM 0 HA ILE A 42 10.590 -13.052 -17.201 1.00 61.53 H new ATOM 0 HB ILE A 42 13.348 -13.578 -17.494 1.00 71.21 H new ATOM 0 HG12 ILE A 42 13.267 -11.637 -19.147 1.00 70.34 H new ATOM 0 HG13 ILE A 42 13.941 -13.147 -19.728 1.00 70.34 H new ATOM 0 HG21 ILE A 42 12.577 -15.328 -19.045 1.00 73.15 H new ATOM 0 HG22 ILE A 42 11.532 -15.215 -17.609 1.00 73.15 H new ATOM 0 HG23 ILE A 42 10.993 -14.525 -19.159 1.00 73.15 H new ATOM 0 HD11 ILE A 42 12.465 -12.145 -21.403 1.00 21.54 H new ATOM 0 HD12 ILE A 42 11.800 -13.693 -20.832 1.00 21.54 H new ATOM 0 HD13 ILE A 42 11.116 -12.159 -20.243 1.00 21.54 H new ATOM 361 N PHE A 43 11.620 -12.598 -14.984 1.00 72.20 N ATOM 362 CA PHE A 43 12.124 -12.260 -13.658 1.00 33.30 C ATOM 363 C PHE A 43 13.026 -13.368 -13.121 1.00 25.30 C ATOM 364 O PHE A 43 12.792 -14.550 -13.372 1.00 15.13 O ATOM 365 CB PHE A 43 10.962 -12.021 -12.692 1.00 51.04 C ATOM 366 CG PHE A 43 10.231 -10.732 -12.942 1.00 22.24 C ATOM 367 CD1 PHE A 43 10.783 -9.522 -12.556 1.00 3.32 C ATOM 368 CD2 PHE A 43 8.992 -10.732 -13.563 1.00 14.05 C ATOM 369 CE1 PHE A 43 10.114 -8.335 -12.784 1.00 0.52 C ATOM 370 CE2 PHE A 43 8.318 -9.548 -13.794 1.00 31.14 C ATOM 371 CZ PHE A 43 8.879 -8.347 -13.402 1.00 73.02 C ATOM 0 H PHE A 43 10.870 -13.290 -14.986 1.00 72.20 H new ATOM 0 HA PHE A 43 12.711 -11.345 -13.742 1.00 33.30 H new ATOM 0 HB2 PHE A 43 10.258 -12.850 -12.770 1.00 51.04 H new ATOM 0 HB3 PHE A 43 11.343 -12.022 -11.671 1.00 51.04 H new ATOM 0 HD1 PHE A 43 11.748 -9.506 -12.071 1.00 3.32 H new ATOM 0 HD2 PHE A 43 8.548 -11.668 -13.870 1.00 14.05 H new ATOM 0 HE1 PHE A 43 10.557 -7.398 -12.479 1.00 0.52 H new ATOM 0 HE2 PHE A 43 7.354 -9.561 -14.280 1.00 31.14 H new ATOM 0 HZ PHE A 43 8.353 -7.420 -13.579 1.00 73.02 H new ATOM 381 N SER A 44 14.058 -12.975 -12.381 1.00 64.13 N ATOM 382 CA SER A 44 14.999 -13.933 -11.813 1.00 25.01 C ATOM 383 C SER A 44 15.589 -13.405 -10.508 1.00 63.54 C ATOM 384 O SER A 44 15.091 -12.438 -9.934 1.00 1.30 O ATOM 385 CB SER A 44 16.121 -14.233 -12.809 1.00 75.14 C ATOM 386 OG SER A 44 16.249 -15.627 -13.029 1.00 33.33 O ATOM 0 H SER A 44 14.263 -12.000 -12.161 1.00 64.13 H new ATOM 0 HA SER A 44 14.457 -14.855 -11.601 1.00 25.01 H new ATOM 0 HB2 SER A 44 15.917 -13.730 -13.754 1.00 75.14 H new ATOM 0 HB3 SER A 44 17.062 -13.833 -12.432 1.00 75.14 H new ATOM 0 HG SER A 44 15.430 -16.080 -12.740 1.00 33.33 H new ATOM 392 N LYS A 45 16.656 -14.050 -10.046 1.00 45.43 N ATOM 393 CA LYS A 45 17.318 -13.646 -8.811 1.00 61.32 C ATOM 394 C LYS A 45 18.835 -13.715 -8.959 1.00 34.03 C ATOM 395 O LYS A 45 19.351 -13.934 -10.054 1.00 2.11 O ATOM 396 CB LYS A 45 16.867 -14.539 -7.652 1.00 54.15 C ATOM 397 CG LYS A 45 15.594 -14.060 -6.976 1.00 14.03 C ATOM 398 CD LYS A 45 15.647 -14.272 -5.472 1.00 50.22 C ATOM 399 CE LYS A 45 14.518 -15.172 -4.995 1.00 63.41 C ATOM 400 NZ LYS A 45 14.205 -14.953 -3.557 1.00 35.43 N ATOM 0 H LYS A 45 17.080 -14.854 -10.508 1.00 45.43 H new ATOM 0 HA LYS A 45 17.038 -12.614 -8.598 1.00 61.32 H new ATOM 0 HB2 LYS A 45 16.712 -15.552 -8.024 1.00 54.15 H new ATOM 0 HB3 LYS A 45 17.665 -14.590 -6.911 1.00 54.15 H new ATOM 0 HG2 LYS A 45 15.443 -13.002 -7.190 1.00 14.03 H new ATOM 0 HG3 LYS A 45 14.738 -14.594 -7.390 1.00 14.03 H new ATOM 0 HD2 LYS A 45 16.605 -14.714 -5.200 1.00 50.22 H new ATOM 0 HD3 LYS A 45 15.584 -13.309 -4.965 1.00 50.22 H new ATOM 0 HE2 LYS A 45 13.626 -14.984 -5.593 1.00 63.41 H new ATOM 0 HE3 LYS A 45 14.794 -16.215 -5.152 1.00 63.41 H new ATOM 0 HZ1 LYS A 45 13.981 -15.864 -3.108 1.00 35.43 H new ATOM 0 HZ2 LYS A 45 15.027 -14.526 -3.084 1.00 35.43 H new ATOM 0 HZ3 LYS A 45 13.388 -14.316 -3.473 1.00 35.43 H new ATOM 414 N SER A 46 19.542 -13.528 -7.849 1.00 54.24 N ATOM 415 CA SER A 46 21.000 -13.567 -7.856 1.00 13.42 C ATOM 416 C SER A 46 21.504 -15.005 -7.932 1.00 42.52 C ATOM 417 O SER A 46 22.325 -15.341 -8.787 1.00 55.45 O ATOM 418 CB SER A 46 21.555 -12.885 -6.603 1.00 74.33 C ATOM 419 OG SER A 46 22.043 -11.589 -6.903 1.00 11.05 O ATOM 0 H SER A 46 19.129 -13.348 -6.934 1.00 54.24 H new ATOM 0 HA SER A 46 21.350 -13.031 -8.738 1.00 13.42 H new ATOM 0 HB2 SER A 46 20.774 -12.817 -5.846 1.00 74.33 H new ATOM 0 HB3 SER A 46 22.357 -13.490 -6.180 1.00 74.33 H new ATOM 0 HG SER A 46 22.391 -11.173 -6.086 1.00 11.05 H new ATOM 425 N TYR A 47 21.009 -15.847 -7.034 1.00 73.42 N ATOM 426 CA TYR A 47 21.411 -17.249 -6.997 1.00 12.31 C ATOM 427 C TYR A 47 20.191 -18.165 -6.999 1.00 32.52 C ATOM 428 O TYR A 47 19.903 -18.835 -6.006 1.00 51.35 O ATOM 429 CB TYR A 47 22.267 -17.522 -5.760 1.00 32.22 C ATOM 430 CG TYR A 47 21.949 -16.618 -4.591 1.00 63.31 C ATOM 431 CD1 TYR A 47 20.797 -16.805 -3.836 1.00 52.34 C ATOM 432 CD2 TYR A 47 22.800 -15.576 -4.241 1.00 33.23 C ATOM 433 CE1 TYR A 47 20.502 -15.981 -2.767 1.00 72.05 C ATOM 434 CE2 TYR A 47 22.513 -14.749 -3.174 1.00 5.25 C ATOM 435 CZ TYR A 47 21.363 -14.955 -2.440 1.00 11.53 C ATOM 436 OH TYR A 47 21.073 -14.131 -1.376 1.00 5.52 O ATOM 0 H TYR A 47 20.328 -15.584 -6.321 1.00 73.42 H new ATOM 0 HA TYR A 47 22.000 -17.457 -7.891 1.00 12.31 H new ATOM 0 HB2 TYR A 47 22.128 -18.559 -5.454 1.00 32.22 H new ATOM 0 HB3 TYR A 47 23.318 -17.405 -6.023 1.00 32.22 H new ATOM 0 HD1 TYR A 47 20.121 -17.608 -4.089 1.00 52.34 H new ATOM 0 HD2 TYR A 47 23.701 -15.411 -4.814 1.00 33.23 H new ATOM 0 HE1 TYR A 47 19.602 -16.140 -2.191 1.00 72.05 H new ATOM 0 HE2 TYR A 47 23.185 -13.945 -2.915 1.00 5.25 H new ATOM 0 HH TYR A 47 21.781 -13.460 -1.279 1.00 5.52 H new ATOM 446 N CYS A 48 19.480 -18.191 -8.120 1.00 41.32 N ATOM 447 CA CYS A 48 18.291 -19.024 -8.254 1.00 25.34 C ATOM 448 C CYS A 48 18.189 -19.606 -9.660 1.00 11.23 C ATOM 449 O CYS A 48 17.725 -18.953 -10.595 1.00 64.51 O ATOM 450 CB CYS A 48 17.035 -18.214 -7.931 1.00 12.24 C ATOM 451 SG CYS A 48 16.962 -17.612 -6.227 1.00 22.42 S ATOM 0 H CYS A 48 19.707 -17.644 -8.951 1.00 41.32 H new ATOM 0 HA CYS A 48 18.374 -19.848 -7.545 1.00 25.34 H new ATOM 0 HB2 CYS A 48 16.981 -17.362 -8.609 1.00 12.24 H new ATOM 0 HB3 CYS A 48 16.158 -18.831 -8.125 1.00 12.24 H new ATOM 0 HG CYS A 48 17.996 -18.045 -5.569 1.00 22.42 H new ATOM 457 N PRO A 49 18.632 -20.862 -9.815 1.00 63.01 N ATOM 458 CA PRO A 49 18.603 -21.558 -11.104 1.00 34.11 C ATOM 459 C PRO A 49 17.184 -21.901 -11.545 1.00 62.15 C ATOM 460 O PRO A 49 16.238 -21.799 -10.763 1.00 15.11 O ATOM 461 CB PRO A 49 19.403 -22.835 -10.836 1.00 73.44 C ATOM 462 CG PRO A 49 19.271 -23.064 -9.370 1.00 1.35 C ATOM 463 CD PRO A 49 19.197 -21.700 -8.743 1.00 11.42 C ATOM 0 HA PRO A 49 19.010 -20.945 -11.908 1.00 34.11 H new ATOM 0 HB2 PRO A 49 19.008 -23.676 -11.405 1.00 73.44 H new ATOM 0 HB3 PRO A 49 20.447 -22.716 -11.126 1.00 73.44 H new ATOM 0 HG2 PRO A 49 18.377 -23.646 -9.145 1.00 1.35 H new ATOM 0 HG3 PRO A 49 20.122 -23.625 -8.984 1.00 1.35 H new ATOM 0 HD2 PRO A 49 18.563 -21.699 -7.856 1.00 11.42 H new ATOM 0 HD3 PRO A 49 20.180 -21.347 -8.433 1.00 11.42 H new ATOM 471 N HIS A 50 17.042 -22.309 -12.803 1.00 4.13 N ATOM 472 CA HIS A 50 15.738 -22.669 -13.347 1.00 13.20 C ATOM 473 C HIS A 50 14.972 -21.425 -13.789 1.00 51.30 C ATOM 474 O HIS A 50 14.465 -21.361 -14.909 1.00 24.42 O ATOM 475 CB HIS A 50 14.922 -23.440 -12.309 1.00 62.11 C ATOM 476 CG HIS A 50 14.033 -24.487 -12.904 1.00 54.11 C ATOM 477 ND1 HIS A 50 13.443 -24.359 -14.144 1.00 45.44 N ATOM 478 CD2 HIS A 50 13.633 -25.688 -12.422 1.00 12.11 C ATOM 479 CE1 HIS A 50 12.719 -25.433 -14.399 1.00 13.02 C ATOM 480 NE2 HIS A 50 12.817 -26.255 -13.369 1.00 61.24 N ATOM 0 H HIS A 50 17.814 -22.398 -13.464 1.00 4.13 H new ATOM 0 HA HIS A 50 15.899 -23.305 -14.217 1.00 13.20 H new ATOM 0 HB2 HIS A 50 15.603 -23.913 -11.602 1.00 62.11 H new ATOM 0 HB3 HIS A 50 14.312 -22.736 -11.743 1.00 62.11 H new ATOM 0 HD2 HIS A 50 13.905 -26.119 -11.470 1.00 12.11 H new ATOM 0 HE1 HIS A 50 12.145 -25.610 -15.296 1.00 13.02 H new ATOM 0 HE2 HIS A 50 12.360 -27.164 -13.290 1.00 61.24 H new ATOM 488 N SER A 51 14.893 -20.438 -12.902 1.00 51.12 N ATOM 489 CA SER A 51 14.185 -19.198 -13.199 1.00 30.31 C ATOM 490 C SER A 51 15.003 -18.319 -14.140 1.00 43.41 C ATOM 491 O SER A 51 14.454 -17.497 -14.877 1.00 23.34 O ATOM 492 CB SER A 51 13.881 -18.438 -11.907 1.00 44.43 C ATOM 493 OG SER A 51 13.910 -17.037 -12.121 1.00 21.14 O ATOM 0 H SER A 51 15.310 -20.473 -11.972 1.00 51.12 H new ATOM 0 HA SER A 51 13.246 -19.452 -13.691 1.00 30.31 H new ATOM 0 HB2 SER A 51 12.901 -18.731 -11.531 1.00 44.43 H new ATOM 0 HB3 SER A 51 14.610 -18.708 -11.143 1.00 44.43 H new ATOM 0 HG SER A 51 13.164 -16.779 -12.702 1.00 21.14 H new ATOM 499 N THR A 52 16.320 -18.496 -14.110 1.00 52.12 N ATOM 500 CA THR A 52 17.215 -17.718 -14.958 1.00 63.22 C ATOM 501 C THR A 52 17.347 -18.348 -16.341 1.00 3.00 C ATOM 502 O THR A 52 17.273 -17.658 -17.358 1.00 1.43 O ATOM 503 CB THR A 52 18.616 -17.590 -14.329 1.00 34.21 C ATOM 504 OG1 THR A 52 18.562 -16.725 -13.190 1.00 22.24 O ATOM 505 CG2 THR A 52 19.615 -17.047 -15.339 1.00 74.05 C ATOM 0 H THR A 52 16.791 -19.171 -13.508 1.00 52.12 H new ATOM 0 HA THR A 52 16.776 -16.725 -15.054 1.00 63.22 H new ATOM 0 HB THR A 52 18.943 -18.582 -14.017 1.00 34.21 H new ATOM 0 HG1 THR A 52 17.774 -16.146 -13.256 1.00 22.24 H new ATOM 0 HG21 THR A 52 20.597 -16.965 -14.872 1.00 74.05 H new ATOM 0 HG22 THR A 52 19.674 -17.723 -16.192 1.00 74.05 H new ATOM 0 HG23 THR A 52 19.291 -16.063 -15.678 1.00 74.05 H new ATOM 513 N ARG A 53 17.542 -19.662 -16.371 1.00 23.00 N ATOM 514 CA ARG A 53 17.686 -20.384 -17.629 1.00 51.13 C ATOM 515 C ARG A 53 16.534 -20.059 -18.577 1.00 45.32 C ATOM 516 O ARG A 53 16.747 -19.789 -19.760 1.00 21.11 O ATOM 517 CB ARG A 53 17.738 -21.892 -17.374 1.00 30.02 C ATOM 518 CG ARG A 53 17.013 -22.713 -18.427 1.00 70.42 C ATOM 519 CD ARG A 53 17.702 -22.618 -19.779 1.00 62.34 C ATOM 520 NE ARG A 53 16.788 -22.911 -20.880 1.00 2.31 N ATOM 521 CZ ARG A 53 17.191 -23.291 -22.088 1.00 35.11 C ATOM 522 NH1 ARG A 53 18.484 -23.426 -22.348 1.00 15.23 N ATOM 523 NH2 ARG A 53 16.299 -23.539 -23.038 1.00 35.33 N ATOM 0 H ARG A 53 17.604 -20.248 -15.539 1.00 23.00 H new ATOM 0 HA ARG A 53 18.619 -20.068 -18.095 1.00 51.13 H new ATOM 0 HB2 ARG A 53 18.780 -22.209 -17.332 1.00 30.02 H new ATOM 0 HB3 ARG A 53 17.301 -22.102 -16.398 1.00 30.02 H new ATOM 0 HG2 ARG A 53 16.971 -23.755 -18.112 1.00 70.42 H new ATOM 0 HG3 ARG A 53 15.984 -22.365 -18.517 1.00 70.42 H new ATOM 0 HD2 ARG A 53 18.114 -21.617 -19.906 1.00 62.34 H new ATOM 0 HD3 ARG A 53 18.540 -23.314 -19.809 1.00 62.34 H new ATOM 0 HE ARG A 53 15.786 -22.819 -20.713 1.00 2.31 H new ATOM 0 HH11 ARG A 53 19.173 -23.238 -21.620 1.00 15.23 H new ATOM 0 HH12 ARG A 53 18.790 -23.718 -23.276 1.00 15.23 H new ATOM 0 HH21 ARG A 53 15.303 -23.438 -22.841 1.00 35.33 H new ATOM 0 HH22 ARG A 53 16.609 -23.831 -23.965 1.00 35.33 H new ATOM 537 N VAL A 54 15.315 -20.085 -18.050 1.00 53.52 N ATOM 538 CA VAL A 54 14.130 -19.792 -18.848 1.00 10.34 C ATOM 539 C VAL A 54 14.293 -18.483 -19.612 1.00 40.41 C ATOM 540 O VAL A 54 13.674 -18.280 -20.657 1.00 61.45 O ATOM 541 CB VAL A 54 12.868 -19.707 -17.969 1.00 62.23 C ATOM 542 CG1 VAL A 54 12.889 -18.442 -17.125 1.00 0.53 C ATOM 543 CG2 VAL A 54 11.616 -19.762 -18.830 1.00 34.35 C ATOM 0 H VAL A 54 15.121 -20.306 -17.073 1.00 53.52 H new ATOM 0 HA VAL A 54 14.015 -20.612 -19.557 1.00 10.34 H new ATOM 0 HB VAL A 54 12.857 -20.564 -17.295 1.00 62.23 H new ATOM 0 HG11 VAL A 54 11.990 -18.399 -16.511 1.00 0.53 H new ATOM 0 HG12 VAL A 54 13.768 -18.449 -16.481 1.00 0.53 H new ATOM 0 HG13 VAL A 54 12.924 -17.570 -17.778 1.00 0.53 H new ATOM 0 HG21 VAL A 54 10.734 -19.701 -18.193 1.00 34.35 H new ATOM 0 HG22 VAL A 54 11.618 -18.925 -19.529 1.00 34.35 H new ATOM 0 HG23 VAL A 54 11.598 -20.699 -19.386 1.00 34.35 H new ATOM 553 N LYS A 55 15.130 -17.596 -19.085 1.00 62.12 N ATOM 554 CA LYS A 55 15.378 -16.306 -19.718 1.00 55.20 C ATOM 555 C LYS A 55 16.381 -16.442 -20.859 1.00 34.31 C ATOM 556 O LYS A 55 16.250 -15.789 -21.893 1.00 62.05 O ATOM 557 CB LYS A 55 15.895 -15.300 -18.688 1.00 20.13 C ATOM 558 CG LYS A 55 17.384 -15.022 -18.804 1.00 10.41 C ATOM 559 CD LYS A 55 17.866 -14.093 -17.702 1.00 55.41 C ATOM 560 CE LYS A 55 19.358 -13.822 -17.814 1.00 34.24 C ATOM 561 NZ LYS A 55 20.141 -15.083 -17.941 1.00 44.22 N ATOM 0 H LYS A 55 15.649 -17.747 -18.220 1.00 62.12 H new ATOM 0 HA LYS A 55 14.435 -15.945 -20.128 1.00 55.20 H new ATOM 0 HB2 LYS A 55 15.349 -14.363 -18.801 1.00 20.13 H new ATOM 0 HB3 LYS A 55 15.681 -15.675 -17.687 1.00 20.13 H new ATOM 0 HG2 LYS A 55 17.935 -15.961 -18.756 1.00 10.41 H new ATOM 0 HG3 LYS A 55 17.597 -14.576 -19.776 1.00 10.41 H new ATOM 0 HD2 LYS A 55 17.319 -13.151 -17.754 1.00 55.41 H new ATOM 0 HD3 LYS A 55 17.648 -14.536 -16.730 1.00 55.41 H new ATOM 0 HE2 LYS A 55 19.548 -13.187 -18.679 1.00 34.24 H new ATOM 0 HE3 LYS A 55 19.695 -13.272 -16.935 1.00 34.24 H new ATOM 0 HZ1 LYS A 55 20.949 -15.057 -17.287 1.00 44.22 H new ATOM 0 HZ2 LYS A 55 19.533 -15.894 -17.708 1.00 44.22 H new ATOM 0 HZ3 LYS A 55 20.488 -15.179 -18.917 1.00 44.22 H new ATOM 575 N GLU A 56 17.381 -17.297 -20.663 1.00 74.23 N ATOM 576 CA GLU A 56 18.405 -17.519 -21.677 1.00 74.25 C ATOM 577 C GLU A 56 17.812 -18.192 -22.911 1.00 32.51 C ATOM 578 O GLU A 56 18.406 -18.172 -23.990 1.00 33.43 O ATOM 579 CB GLU A 56 19.538 -18.376 -21.110 1.00 43.34 C ATOM 580 CG GLU A 56 19.348 -19.866 -21.338 1.00 13.54 C ATOM 581 CD GLU A 56 20.006 -20.349 -22.615 1.00 55.25 C ATOM 582 OE1 GLU A 56 21.253 -20.354 -22.677 1.00 32.22 O ATOM 583 OE2 GLU A 56 19.271 -20.723 -23.555 1.00 64.22 O ATOM 0 H GLU A 56 17.503 -17.846 -19.812 1.00 74.23 H new ATOM 0 HA GLU A 56 18.805 -16.549 -21.971 1.00 74.25 H new ATOM 0 HB2 GLU A 56 20.479 -18.065 -21.563 1.00 43.34 H new ATOM 0 HB3 GLU A 56 19.623 -18.189 -20.040 1.00 43.34 H new ATOM 0 HG2 GLU A 56 19.760 -20.415 -20.491 1.00 13.54 H new ATOM 0 HG3 GLU A 56 18.282 -20.091 -21.375 1.00 13.54 H new ATOM 590 N LEU A 57 16.637 -18.791 -22.744 1.00 51.53 N ATOM 591 CA LEU A 57 15.962 -19.472 -23.844 1.00 24.12 C ATOM 592 C LEU A 57 15.400 -18.467 -24.844 1.00 1.52 C ATOM 593 O LEU A 57 15.176 -18.794 -26.010 1.00 11.22 O ATOM 594 CB LEU A 57 14.837 -20.358 -23.307 1.00 23.05 C ATOM 595 CG LEU A 57 13.757 -20.755 -24.314 1.00 73.11 C ATOM 596 CD1 LEU A 57 14.369 -21.509 -25.484 1.00 35.40 C ATOM 597 CD2 LEU A 57 12.682 -21.596 -23.639 1.00 51.25 C ATOM 0 H LEU A 57 16.133 -18.819 -21.858 1.00 51.53 H new ATOM 0 HA LEU A 57 16.694 -20.096 -24.357 1.00 24.12 H new ATOM 0 HB2 LEU A 57 15.280 -21.268 -22.902 1.00 23.05 H new ATOM 0 HB3 LEU A 57 14.358 -19.839 -22.476 1.00 23.05 H new ATOM 0 HG LEU A 57 13.293 -19.846 -24.697 1.00 73.11 H new ATOM 0 HD11 LEU A 57 13.585 -21.783 -26.190 1.00 35.40 H new ATOM 0 HD12 LEU A 57 15.101 -20.874 -25.983 1.00 35.40 H new ATOM 0 HD13 LEU A 57 14.860 -22.411 -25.119 1.00 35.40 H new ATOM 0 HD21 LEU A 57 11.921 -21.870 -24.370 1.00 51.25 H new ATOM 0 HD22 LEU A 57 13.132 -22.500 -23.228 1.00 51.25 H new ATOM 0 HD23 LEU A 57 12.222 -21.022 -22.835 1.00 51.25 H new ATOM 609 N PHE A 58 15.176 -17.242 -24.381 1.00 55.01 N ATOM 610 CA PHE A 58 14.640 -16.188 -25.235 1.00 43.14 C ATOM 611 C PHE A 58 15.717 -15.649 -26.173 1.00 55.43 C ATOM 612 O PHE A 58 15.458 -15.385 -27.348 1.00 34.13 O ATOM 613 CB PHE A 58 14.074 -15.050 -24.384 1.00 31.25 C ATOM 614 CG PHE A 58 12.737 -15.364 -23.776 1.00 4.21 C ATOM 615 CD1 PHE A 58 11.604 -15.452 -24.569 1.00 12.20 C ATOM 616 CD2 PHE A 58 12.613 -15.572 -22.412 1.00 62.51 C ATOM 617 CE1 PHE A 58 10.372 -15.741 -24.013 1.00 22.44 C ATOM 618 CE2 PHE A 58 11.384 -15.863 -21.850 1.00 44.32 C ATOM 619 CZ PHE A 58 10.262 -15.946 -22.652 1.00 31.03 C ATOM 0 H PHE A 58 15.357 -16.954 -23.419 1.00 55.01 H new ATOM 0 HA PHE A 58 13.838 -16.615 -25.837 1.00 43.14 H new ATOM 0 HB2 PHE A 58 14.781 -14.817 -23.588 1.00 31.25 H new ATOM 0 HB3 PHE A 58 13.983 -14.156 -25.001 1.00 31.25 H new ATOM 0 HD1 PHE A 58 11.685 -15.293 -25.634 1.00 12.20 H new ATOM 0 HD2 PHE A 58 13.487 -15.506 -21.780 1.00 62.51 H new ATOM 0 HE1 PHE A 58 9.497 -15.806 -24.642 1.00 22.44 H new ATOM 0 HE2 PHE A 58 11.301 -16.025 -20.785 1.00 44.32 H new ATOM 0 HZ PHE A 58 9.300 -16.171 -22.215 1.00 31.03 H new ATOM 629 N SER A 59 16.926 -15.488 -25.646 1.00 44.15 N ATOM 630 CA SER A 59 18.042 -14.977 -26.434 1.00 4.43 C ATOM 631 C SER A 59 18.246 -15.814 -27.693 1.00 23.05 C ATOM 632 O SER A 59 18.431 -15.278 -28.785 1.00 51.41 O ATOM 633 CB SER A 59 19.323 -14.970 -25.598 1.00 31.10 C ATOM 634 OG SER A 59 20.330 -14.188 -26.214 1.00 44.13 O ATOM 0 H SER A 59 17.158 -15.704 -24.677 1.00 44.15 H new ATOM 0 HA SER A 59 17.807 -13.955 -26.733 1.00 4.43 H new ATOM 0 HB2 SER A 59 19.110 -14.577 -24.604 1.00 31.10 H new ATOM 0 HB3 SER A 59 19.681 -15.991 -25.467 1.00 31.10 H new ATOM 0 HG SER A 59 21.138 -14.199 -25.659 1.00 44.13 H new ATOM 640 N SER A 60 18.213 -17.133 -27.531 1.00 33.20 N ATOM 641 CA SER A 60 18.398 -18.045 -28.653 1.00 63.23 C ATOM 642 C SER A 60 17.141 -18.111 -29.513 1.00 73.25 C ATOM 643 O SER A 60 17.115 -18.782 -30.547 1.00 12.13 O ATOM 644 CB SER A 60 18.757 -19.444 -28.146 1.00 54.15 C ATOM 645 OG SER A 60 18.637 -20.407 -29.180 1.00 32.15 O ATOM 0 H SER A 60 18.060 -17.593 -26.634 1.00 33.20 H new ATOM 0 HA SER A 60 19.216 -17.667 -29.266 1.00 63.23 H new ATOM 0 HB2 SER A 60 19.777 -19.444 -27.761 1.00 54.15 H new ATOM 0 HB3 SER A 60 18.103 -19.713 -27.317 1.00 54.15 H new ATOM 0 HG SER A 60 18.359 -19.964 -30.009 1.00 32.15 H new ATOM 651 N LEU A 61 16.098 -17.410 -29.081 1.00 45.43 N ATOM 652 CA LEU A 61 14.835 -17.386 -29.811 1.00 62.33 C ATOM 653 C LEU A 61 14.773 -16.189 -30.754 1.00 35.01 C ATOM 654 O LEU A 61 13.723 -15.884 -31.318 1.00 10.02 O ATOM 655 CB LEU A 61 13.659 -17.344 -28.835 1.00 21.24 C ATOM 656 CG LEU A 61 12.474 -18.250 -29.170 1.00 60.32 C ATOM 657 CD1 LEU A 61 12.135 -18.159 -30.650 1.00 10.33 C ATOM 658 CD2 LEU A 61 12.776 -19.689 -28.778 1.00 54.31 C ATOM 0 H LEU A 61 16.102 -16.850 -28.228 1.00 45.43 H new ATOM 0 HA LEU A 61 14.771 -18.297 -30.407 1.00 62.33 H new ATOM 0 HB2 LEU A 61 14.026 -17.611 -27.844 1.00 21.24 H new ATOM 0 HB3 LEU A 61 13.299 -16.317 -28.775 1.00 21.24 H new ATOM 0 HG LEU A 61 11.609 -17.912 -28.598 1.00 60.32 H new ATOM 0 HD11 LEU A 61 11.289 -18.810 -30.870 1.00 10.33 H new ATOM 0 HD12 LEU A 61 11.876 -17.130 -30.901 1.00 10.33 H new ATOM 0 HD13 LEU A 61 12.997 -18.471 -31.240 1.00 10.33 H new ATOM 0 HD21 LEU A 61 11.922 -20.320 -29.024 1.00 54.31 H new ATOM 0 HD22 LEU A 61 13.653 -20.038 -29.323 1.00 54.31 H new ATOM 0 HD23 LEU A 61 12.970 -19.741 -27.707 1.00 54.31 H new ATOM 670 N GLY A 62 15.906 -15.513 -30.920 1.00 60.31 N ATOM 671 CA GLY A 62 15.959 -14.358 -31.796 1.00 12.53 C ATOM 672 C GLY A 62 15.071 -13.225 -31.316 1.00 64.21 C ATOM 673 O GLY A 62 14.811 -12.275 -32.055 1.00 73.21 O ATOM 0 H GLY A 62 16.788 -15.745 -30.463 1.00 60.31 H new ATOM 0 HA2 GLY A 62 16.988 -14.005 -31.865 1.00 12.53 H new ATOM 0 HA3 GLY A 62 15.655 -14.653 -32.800 1.00 12.53 H new ATOM 677 N VAL A 63 14.605 -13.326 -30.076 1.00 41.41 N ATOM 678 CA VAL A 63 13.742 -12.303 -29.498 1.00 11.32 C ATOM 679 C VAL A 63 14.381 -11.677 -28.264 1.00 60.30 C ATOM 680 O VAL A 63 14.767 -12.378 -27.328 1.00 73.00 O ATOM 681 CB VAL A 63 12.366 -12.881 -29.114 1.00 42.53 C ATOM 682 CG1 VAL A 63 11.473 -11.793 -28.536 1.00 60.32 C ATOM 683 CG2 VAL A 63 11.710 -13.538 -30.319 1.00 13.30 C ATOM 0 H VAL A 63 14.811 -14.106 -29.452 1.00 41.41 H new ATOM 0 HA VAL A 63 13.606 -11.536 -30.261 1.00 11.32 H new ATOM 0 HB VAL A 63 12.511 -13.643 -28.348 1.00 42.53 H new ATOM 0 HG11 VAL A 63 10.506 -12.219 -28.271 1.00 60.32 H new ATOM 0 HG12 VAL A 63 11.941 -11.373 -27.646 1.00 60.32 H new ATOM 0 HG13 VAL A 63 11.332 -11.006 -29.277 1.00 60.32 H new ATOM 0 HG21 VAL A 63 10.739 -13.941 -30.030 1.00 13.30 H new ATOM 0 HG22 VAL A 63 11.576 -12.798 -31.108 1.00 13.30 H new ATOM 0 HG23 VAL A 63 12.344 -14.346 -30.683 1.00 13.30 H new ATOM 693 N VAL A 64 14.489 -10.352 -28.267 1.00 61.10 N ATOM 694 CA VAL A 64 15.080 -9.631 -27.146 1.00 42.13 C ATOM 695 C VAL A 64 14.132 -9.595 -25.954 1.00 33.25 C ATOM 696 O VAL A 64 12.912 -9.629 -26.117 1.00 14.25 O ATOM 697 CB VAL A 64 15.447 -8.187 -27.539 1.00 71.55 C ATOM 698 CG1 VAL A 64 14.215 -7.434 -28.017 1.00 52.32 C ATOM 699 CG2 VAL A 64 16.102 -7.468 -26.371 1.00 14.34 C ATOM 0 H VAL A 64 14.175 -9.756 -29.033 1.00 61.10 H new ATOM 0 HA VAL A 64 15.988 -10.167 -26.868 1.00 42.13 H new ATOM 0 HB VAL A 64 16.162 -8.223 -28.361 1.00 71.55 H new ATOM 0 HG11 VAL A 64 14.494 -6.416 -28.290 1.00 52.32 H new ATOM 0 HG12 VAL A 64 13.793 -7.940 -28.885 1.00 52.32 H new ATOM 0 HG13 VAL A 64 13.474 -7.405 -27.218 1.00 52.32 H new ATOM 0 HG21 VAL A 64 16.355 -6.450 -26.666 1.00 14.34 H new ATOM 0 HG22 VAL A 64 15.412 -7.441 -25.527 1.00 14.34 H new ATOM 0 HG23 VAL A 64 17.010 -7.997 -26.081 1.00 14.34 H new ATOM 709 N TYR A 65 14.699 -9.528 -24.755 1.00 44.33 N ATOM 710 CA TYR A 65 13.904 -9.489 -23.534 1.00 24.34 C ATOM 711 C TYR A 65 14.612 -8.685 -22.447 1.00 72.41 C ATOM 712 O TYR A 65 15.768 -8.293 -22.604 1.00 33.31 O ATOM 713 CB TYR A 65 13.629 -10.909 -23.035 1.00 60.52 C ATOM 714 CG TYR A 65 14.882 -11.690 -22.708 1.00 72.03 C ATOM 715 CD1 TYR A 65 15.598 -12.341 -23.704 1.00 42.32 C ATOM 716 CD2 TYR A 65 15.349 -11.775 -21.403 1.00 3.02 C ATOM 717 CE1 TYR A 65 16.744 -13.055 -23.410 1.00 31.32 C ATOM 718 CE2 TYR A 65 16.495 -12.487 -21.099 1.00 71.05 C ATOM 719 CZ TYR A 65 17.188 -13.125 -22.106 1.00 72.33 C ATOM 720 OH TYR A 65 18.329 -13.835 -21.809 1.00 54.23 O ATOM 0 H TYR A 65 15.707 -9.500 -24.603 1.00 44.33 H new ATOM 0 HA TYR A 65 12.957 -9.000 -23.763 1.00 24.34 H new ATOM 0 HB2 TYR A 65 13.001 -10.857 -22.146 1.00 60.52 H new ATOM 0 HB3 TYR A 65 13.063 -11.448 -23.794 1.00 60.52 H new ATOM 0 HD1 TYR A 65 15.253 -12.288 -24.726 1.00 42.32 H new ATOM 0 HD2 TYR A 65 14.808 -11.277 -20.612 1.00 3.02 H new ATOM 0 HE1 TYR A 65 17.289 -13.555 -24.197 1.00 31.32 H new ATOM 0 HE2 TYR A 65 16.845 -12.543 -20.079 1.00 71.05 H new ATOM 0 HH TYR A 65 18.928 -13.280 -21.267 1.00 54.23 H new ATOM 730 N ASN A 66 13.908 -8.444 -21.346 1.00 25.11 N ATOM 731 CA ASN A 66 14.469 -7.687 -20.232 1.00 10.14 C ATOM 732 C ASN A 66 14.849 -8.613 -19.081 1.00 35.34 C ATOM 733 O ASN A 66 14.052 -9.450 -18.655 1.00 65.30 O ATOM 734 CB ASN A 66 13.466 -6.637 -19.747 1.00 23.11 C ATOM 735 CG ASN A 66 14.114 -5.288 -19.505 1.00 23.03 C ATOM 736 OD1 ASN A 66 14.254 -4.850 -18.363 1.00 12.32 O ATOM 737 ND2 ASN A 66 14.514 -4.622 -20.583 1.00 24.24 N ATOM 0 H ASN A 66 12.949 -8.761 -21.201 1.00 25.11 H new ATOM 0 HA ASN A 66 15.371 -7.185 -20.583 1.00 10.14 H new ATOM 0 HB2 ASN A 66 12.672 -6.528 -20.486 1.00 23.11 H new ATOM 0 HB3 ASN A 66 12.999 -6.983 -18.825 1.00 23.11 H new ATOM 0 HD21 ASN A 66 14.958 -3.709 -20.483 1.00 24.24 H new ATOM 0 HD22 ASN A 66 14.378 -5.024 -21.511 1.00 24.24 H new ATOM 744 N ILE A 67 16.070 -8.457 -18.582 1.00 24.03 N ATOM 745 CA ILE A 67 16.555 -9.278 -17.479 1.00 43.32 C ATOM 746 C ILE A 67 16.576 -8.488 -16.174 1.00 34.24 C ATOM 747 O ILE A 67 17.361 -7.555 -16.012 1.00 45.53 O ATOM 748 CB ILE A 67 17.969 -9.819 -17.760 1.00 24.33 C ATOM 749 CG1 ILE A 67 18.034 -10.438 -19.158 1.00 54.22 C ATOM 750 CG2 ILE A 67 18.364 -10.841 -16.705 1.00 32.44 C ATOM 751 CD1 ILE A 67 18.921 -9.675 -20.116 1.00 45.50 C ATOM 0 H ILE A 67 16.742 -7.770 -18.924 1.00 24.03 H new ATOM 0 HA ILE A 67 15.866 -10.117 -17.383 1.00 43.32 H new ATOM 0 HB ILE A 67 18.674 -8.989 -17.717 1.00 24.33 H new ATOM 0 HG12 ILE A 67 18.398 -11.462 -19.076 1.00 54.22 H new ATOM 0 HG13 ILE A 67 17.027 -10.489 -19.571 1.00 54.22 H new ATOM 0 HG21 ILE A 67 19.366 -11.214 -16.917 1.00 32.44 H new ATOM 0 HG22 ILE A 67 18.352 -10.372 -15.721 1.00 32.44 H new ATOM 0 HG23 ILE A 67 17.657 -11.671 -16.719 1.00 32.44 H new ATOM 0 HD11 ILE A 67 18.919 -10.171 -21.087 1.00 45.50 H new ATOM 0 HD12 ILE A 67 18.546 -8.658 -20.227 1.00 45.50 H new ATOM 0 HD13 ILE A 67 19.938 -9.646 -19.725 1.00 45.50 H new ATOM 763 N LEU A 68 15.708 -8.872 -15.244 1.00 43.21 N ATOM 764 CA LEU A 68 15.627 -8.202 -13.951 1.00 54.30 C ATOM 765 C LEU A 68 15.700 -9.211 -12.809 1.00 52.31 C ATOM 766 O LEU A 68 15.058 -10.260 -12.854 1.00 65.34 O ATOM 767 CB LEU A 68 14.331 -7.396 -13.852 1.00 33.40 C ATOM 768 CG LEU A 68 14.048 -6.435 -15.007 1.00 14.42 C ATOM 769 CD1 LEU A 68 15.291 -5.626 -15.345 1.00 33.02 C ATOM 770 CD2 LEU A 68 13.558 -7.199 -16.229 1.00 25.22 C ATOM 0 H LEU A 68 15.051 -9.643 -15.361 1.00 43.21 H new ATOM 0 HA LEU A 68 16.476 -7.524 -13.867 1.00 54.30 H new ATOM 0 HB2 LEU A 68 13.498 -8.094 -13.774 1.00 33.40 H new ATOM 0 HB3 LEU A 68 14.354 -6.822 -12.926 1.00 33.40 H new ATOM 0 HG LEU A 68 13.264 -5.745 -14.696 1.00 14.42 H new ATOM 0 HD11 LEU A 68 15.071 -4.948 -16.169 1.00 33.02 H new ATOM 0 HD12 LEU A 68 15.598 -5.049 -14.473 1.00 33.02 H new ATOM 0 HD13 LEU A 68 16.096 -6.301 -15.636 1.00 33.02 H new ATOM 0 HD21 LEU A 68 13.362 -6.499 -17.041 1.00 25.22 H new ATOM 0 HD22 LEU A 68 14.320 -7.913 -16.542 1.00 25.22 H new ATOM 0 HD23 LEU A 68 12.641 -7.733 -15.981 1.00 25.22 H new ATOM 782 N GLU A 69 16.484 -8.884 -11.786 1.00 42.33 N ATOM 783 CA GLU A 69 16.639 -9.762 -10.632 1.00 40.43 C ATOM 784 C GLU A 69 16.024 -9.135 -9.385 1.00 73.25 C ATOM 785 O GLU A 69 16.565 -8.180 -8.825 1.00 73.31 O ATOM 786 CB GLU A 69 18.119 -10.064 -10.388 1.00 41.44 C ATOM 787 CG GLU A 69 18.894 -10.376 -11.657 1.00 24.44 C ATOM 788 CD GLU A 69 18.394 -11.627 -12.353 1.00 34.53 C ATOM 789 OE1 GLU A 69 17.295 -11.579 -12.945 1.00 23.02 O ATOM 790 OE2 GLU A 69 19.102 -12.656 -12.304 1.00 52.34 O ATOM 0 H GLU A 69 17.021 -8.018 -11.733 1.00 42.33 H new ATOM 0 HA GLU A 69 16.116 -10.694 -10.844 1.00 40.43 H new ATOM 0 HB2 GLU A 69 18.579 -9.209 -9.893 1.00 41.44 H new ATOM 0 HB3 GLU A 69 18.201 -10.910 -9.705 1.00 41.44 H new ATOM 0 HG2 GLU A 69 18.820 -9.530 -12.341 1.00 24.44 H new ATOM 0 HG3 GLU A 69 19.949 -10.498 -11.413 1.00 24.44 H new ATOM 797 N LEU A 70 14.889 -9.677 -8.955 1.00 43.22 N ATOM 798 CA LEU A 70 14.198 -9.171 -7.774 1.00 64.24 C ATOM 799 C LEU A 70 15.092 -9.259 -6.542 1.00 21.34 C ATOM 800 O LEU A 70 14.849 -8.592 -5.537 1.00 53.32 O ATOM 801 CB LEU A 70 12.907 -9.957 -7.539 1.00 44.32 C ATOM 802 CG LEU A 70 12.992 -11.468 -7.755 1.00 15.34 C ATOM 803 CD1 LEU A 70 12.467 -12.211 -6.537 1.00 1.15 C ATOM 804 CD2 LEU A 70 12.219 -11.873 -9.002 1.00 45.44 C ATOM 0 H LEU A 70 14.428 -10.467 -9.407 1.00 43.22 H new ATOM 0 HA LEU A 70 13.952 -8.123 -7.947 1.00 64.24 H new ATOM 0 HB2 LEU A 70 12.575 -9.774 -6.517 1.00 44.32 H new ATOM 0 HB3 LEU A 70 12.137 -9.558 -8.200 1.00 44.32 H new ATOM 0 HG LEU A 70 14.039 -11.737 -7.897 1.00 15.34 H new ATOM 0 HD11 LEU A 70 12.535 -13.285 -6.709 1.00 1.15 H new ATOM 0 HD12 LEU A 70 13.062 -11.945 -5.664 1.00 1.15 H new ATOM 0 HD13 LEU A 70 11.426 -11.937 -6.364 1.00 1.15 H new ATOM 0 HD21 LEU A 70 12.291 -12.952 -9.140 1.00 45.44 H new ATOM 0 HD22 LEU A 70 11.172 -11.590 -8.889 1.00 45.44 H new ATOM 0 HD23 LEU A 70 12.640 -11.367 -9.871 1.00 45.44 H new ATOM 816 N ASP A 71 16.128 -10.087 -6.626 1.00 62.15 N ATOM 817 CA ASP A 71 17.061 -10.260 -5.519 1.00 54.41 C ATOM 818 C ASP A 71 18.034 -9.087 -5.439 1.00 21.44 C ATOM 819 O ASP A 71 18.851 -9.009 -4.522 1.00 2.01 O ATOM 820 CB ASP A 71 17.834 -11.571 -5.675 1.00 43.21 C ATOM 821 CG ASP A 71 17.974 -12.320 -4.365 1.00 34.12 C ATOM 822 OD1 ASP A 71 17.034 -12.263 -3.544 1.00 53.55 O ATOM 823 OD2 ASP A 71 19.023 -12.965 -4.160 1.00 62.51 O ATOM 0 H ASP A 71 16.343 -10.649 -7.450 1.00 62.15 H new ATOM 0 HA ASP A 71 16.486 -10.295 -4.594 1.00 54.41 H new ATOM 0 HB2 ASP A 71 17.325 -12.206 -6.400 1.00 43.21 H new ATOM 0 HB3 ASP A 71 18.825 -11.359 -6.077 1.00 43.21 H new ATOM 828 N GLN A 72 17.939 -8.180 -6.405 1.00 21.41 N ATOM 829 CA GLN A 72 18.813 -7.013 -6.444 1.00 52.01 C ATOM 830 C GLN A 72 18.009 -5.726 -6.290 1.00 50.03 C ATOM 831 O GLN A 72 18.547 -4.690 -5.900 1.00 72.14 O ATOM 832 CB GLN A 72 19.600 -6.983 -7.756 1.00 42.40 C ATOM 833 CG GLN A 72 20.835 -7.869 -7.745 1.00 52.33 C ATOM 834 CD GLN A 72 22.071 -7.155 -8.255 1.00 53.13 C ATOM 835 OE1 GLN A 72 22.917 -6.718 -7.475 1.00 15.23 O ATOM 836 NE2 GLN A 72 22.181 -7.031 -9.573 1.00 20.21 N ATOM 0 H GLN A 72 17.267 -8.230 -7.170 1.00 21.41 H new ATOM 0 HA GLN A 72 19.512 -7.085 -5.611 1.00 52.01 H new ATOM 0 HB2 GLN A 72 18.946 -7.296 -8.570 1.00 42.40 H new ATOM 0 HB3 GLN A 72 19.901 -5.957 -7.966 1.00 42.40 H new ATOM 0 HG2 GLN A 72 21.016 -8.220 -6.729 1.00 52.33 H new ATOM 0 HG3 GLN A 72 20.650 -8.751 -8.359 1.00 52.33 H new ATOM 0 HE21 GLN A 72 21.456 -7.408 -10.183 1.00 20.21 H new ATOM 0 HE22 GLN A 72 22.991 -6.558 -9.975 1.00 20.21 H new ATOM 845 N VAL A 73 16.719 -5.800 -6.599 1.00 55.20 N ATOM 846 CA VAL A 73 15.840 -4.641 -6.494 1.00 75.12 C ATOM 847 C VAL A 73 15.798 -4.111 -5.065 1.00 51.44 C ATOM 848 O VAL A 73 16.563 -4.550 -4.207 1.00 43.25 O ATOM 849 CB VAL A 73 14.407 -4.980 -6.948 1.00 24.35 C ATOM 850 CG1 VAL A 73 14.413 -5.542 -8.361 1.00 54.01 C ATOM 851 CG2 VAL A 73 13.760 -5.958 -5.978 1.00 42.45 C ATOM 0 H VAL A 73 16.259 -6.650 -6.924 1.00 55.20 H new ATOM 0 HA VAL A 73 16.248 -3.873 -7.151 1.00 75.12 H new ATOM 0 HB VAL A 73 13.818 -4.063 -6.951 1.00 24.35 H new ATOM 0 HG11 VAL A 73 13.392 -5.775 -8.664 1.00 54.01 H new ATOM 0 HG12 VAL A 73 14.835 -4.805 -9.044 1.00 54.01 H new ATOM 0 HG13 VAL A 73 15.016 -6.449 -8.389 1.00 54.01 H new ATOM 0 HG21 VAL A 73 12.748 -6.187 -6.313 1.00 42.45 H new ATOM 0 HG22 VAL A 73 14.347 -6.876 -5.941 1.00 42.45 H new ATOM 0 HG23 VAL A 73 13.721 -5.512 -4.984 1.00 42.45 H new ATOM 861 N ASP A 74 14.898 -3.165 -4.817 1.00 72.03 N ATOM 862 CA ASP A 74 14.754 -2.576 -3.491 1.00 61.24 C ATOM 863 C ASP A 74 13.656 -3.279 -2.700 1.00 12.11 C ATOM 864 O ASP A 74 13.835 -3.607 -1.527 1.00 44.14 O ATOM 865 CB ASP A 74 14.442 -1.083 -3.605 1.00 41.14 C ATOM 866 CG ASP A 74 15.559 -0.307 -4.273 1.00 51.15 C ATOM 867 OD1 ASP A 74 15.684 -0.395 -5.513 1.00 54.12 O ATOM 868 OD2 ASP A 74 16.310 0.389 -3.558 1.00 3.00 O ATOM 0 H ASP A 74 14.258 -2.790 -5.517 1.00 72.03 H new ATOM 0 HA ASP A 74 15.697 -2.703 -2.959 1.00 61.24 H new ATOM 0 HB2 ASP A 74 13.521 -0.950 -4.173 1.00 41.14 H new ATOM 0 HB3 ASP A 74 14.265 -0.675 -2.610 1.00 41.14 H new ATOM 873 N ASP A 75 12.520 -3.507 -3.349 1.00 71.44 N ATOM 874 CA ASP A 75 11.393 -4.172 -2.707 1.00 14.21 C ATOM 875 C ASP A 75 11.414 -5.672 -2.985 1.00 11.51 C ATOM 876 O ASP A 75 10.372 -6.325 -3.004 1.00 1.13 O ATOM 877 CB ASP A 75 10.073 -3.570 -3.193 1.00 3.22 C ATOM 878 CG ASP A 75 10.116 -2.055 -3.256 1.00 40.01 C ATOM 879 OD1 ASP A 75 9.930 -1.412 -2.202 1.00 23.22 O ATOM 880 OD2 ASP A 75 10.334 -1.514 -4.360 1.00 45.32 O ATOM 0 H ASP A 75 12.355 -3.241 -4.320 1.00 71.44 H new ATOM 0 HA ASP A 75 11.480 -4.019 -1.631 1.00 14.21 H new ATOM 0 HB2 ASP A 75 9.839 -3.965 -4.181 1.00 3.22 H new ATOM 0 HB3 ASP A 75 9.268 -3.880 -2.527 1.00 3.22 H new ATOM 885 N GLY A 76 12.611 -6.211 -3.202 1.00 12.42 N ATOM 886 CA GLY A 76 12.745 -7.628 -3.478 1.00 65.51 C ATOM 887 C GLY A 76 11.911 -8.483 -2.546 1.00 15.21 C ATOM 888 O GLY A 76 11.295 -9.460 -2.972 1.00 62.01 O ATOM 0 H GLY A 76 13.488 -5.691 -3.191 1.00 12.42 H new ATOM 0 HA2 GLY A 76 12.448 -7.824 -4.508 1.00 65.51 H new ATOM 0 HA3 GLY A 76 13.793 -7.915 -3.388 1.00 65.51 H new ATOM 892 N ALA A 77 11.888 -8.116 -1.269 1.00 22.24 N ATOM 893 CA ALA A 77 11.122 -8.855 -0.274 1.00 75.31 C ATOM 894 C ALA A 77 9.677 -9.042 -0.722 1.00 72.23 C ATOM 895 O ALA A 77 9.190 -10.168 -0.825 1.00 55.31 O ATOM 896 CB ALA A 77 11.172 -8.142 1.069 1.00 42.30 C ATOM 0 H ALA A 77 12.392 -7.310 -0.899 1.00 22.24 H new ATOM 0 HA ALA A 77 11.572 -9.842 -0.165 1.00 75.31 H new ATOM 0 HB1 ALA A 77 10.595 -8.706 1.802 1.00 42.30 H new ATOM 0 HB2 ALA A 77 12.207 -8.066 1.402 1.00 42.30 H new ATOM 0 HB3 ALA A 77 10.750 -7.142 0.966 1.00 42.30 H new ATOM 902 N SER A 78 8.995 -7.932 -0.987 1.00 62.34 N ATOM 903 CA SER A 78 7.604 -7.974 -1.420 1.00 10.31 C ATOM 904 C SER A 78 7.492 -8.531 -2.836 1.00 2.41 C ATOM 905 O SER A 78 6.589 -9.310 -3.139 1.00 70.51 O ATOM 906 CB SER A 78 6.987 -6.575 -1.359 1.00 71.32 C ATOM 907 OG SER A 78 7.988 -5.573 -1.416 1.00 13.14 O ATOM 0 H SER A 78 9.384 -6.992 -0.909 1.00 62.34 H new ATOM 0 HA SER A 78 7.059 -8.634 -0.745 1.00 10.31 H new ATOM 0 HB2 SER A 78 6.290 -6.445 -2.187 1.00 71.32 H new ATOM 0 HB3 SER A 78 6.412 -6.467 -0.439 1.00 71.32 H new ATOM 0 HG SER A 78 7.568 -4.688 -1.377 1.00 13.14 H new ATOM 913 N VAL A 79 8.416 -8.123 -3.700 1.00 61.12 N ATOM 914 CA VAL A 79 8.424 -8.580 -5.084 1.00 74.52 C ATOM 915 C VAL A 79 8.271 -10.095 -5.164 1.00 34.54 C ATOM 916 O VAL A 79 7.273 -10.601 -5.677 1.00 21.43 O ATOM 917 CB VAL A 79 9.721 -8.169 -5.805 1.00 53.13 C ATOM 918 CG1 VAL A 79 9.908 -8.983 -7.076 1.00 23.20 C ATOM 919 CG2 VAL A 79 9.709 -6.680 -6.114 1.00 4.43 C ATOM 0 H VAL A 79 9.169 -7.476 -3.465 1.00 61.12 H new ATOM 0 HA VAL A 79 7.576 -8.105 -5.578 1.00 74.52 H new ATOM 0 HB VAL A 79 10.563 -8.374 -5.144 1.00 53.13 H new ATOM 0 HG11 VAL A 79 10.830 -8.678 -7.571 1.00 23.20 H new ATOM 0 HG12 VAL A 79 9.964 -10.042 -6.825 1.00 23.20 H new ATOM 0 HG13 VAL A 79 9.064 -8.813 -7.744 1.00 23.20 H new ATOM 0 HG21 VAL A 79 10.633 -6.407 -6.624 1.00 4.43 H new ATOM 0 HG22 VAL A 79 8.859 -6.448 -6.755 1.00 4.43 H new ATOM 0 HG23 VAL A 79 9.627 -6.116 -5.185 1.00 4.43 H new ATOM 929 N GLN A 80 9.264 -10.813 -4.651 1.00 23.03 N ATOM 930 CA GLN A 80 9.239 -12.270 -4.662 1.00 62.55 C ATOM 931 C GLN A 80 8.018 -12.800 -3.920 1.00 24.33 C ATOM 932 O GLN A 80 7.549 -13.906 -4.187 1.00 21.44 O ATOM 933 CB GLN A 80 10.517 -12.829 -4.033 1.00 62.11 C ATOM 934 CG GLN A 80 10.923 -14.186 -4.582 1.00 71.44 C ATOM 935 CD GLN A 80 10.799 -15.294 -3.554 1.00 4.12 C ATOM 936 OE1 GLN A 80 9.999 -15.205 -2.623 1.00 13.53 O ATOM 937 NE2 GLN A 80 11.594 -16.344 -3.717 1.00 25.21 N ATOM 0 H GLN A 80 10.097 -10.409 -4.222 1.00 23.03 H new ATOM 0 HA GLN A 80 9.180 -12.599 -5.700 1.00 62.55 H new ATOM 0 HB2 GLN A 80 11.331 -12.122 -4.196 1.00 62.11 H new ATOM 0 HB3 GLN A 80 10.376 -12.910 -2.955 1.00 62.11 H new ATOM 0 HG2 GLN A 80 10.301 -14.425 -5.445 1.00 71.44 H new ATOM 0 HG3 GLN A 80 11.953 -14.137 -4.935 1.00 71.44 H new ATOM 0 HE21 GLN A 80 12.242 -16.376 -4.504 1.00 25.21 H new ATOM 0 HE22 GLN A 80 11.557 -17.120 -3.056 1.00 25.21 H new ATOM 946 N GLU A 81 7.508 -12.004 -2.984 1.00 64.34 N ATOM 947 CA GLU A 81 6.342 -12.394 -2.202 1.00 62.51 C ATOM 948 C GLU A 81 5.112 -12.542 -3.094 1.00 22.33 C ATOM 949 O GLU A 81 4.386 -13.533 -3.010 1.00 3.31 O ATOM 950 CB GLU A 81 6.068 -11.365 -1.104 1.00 44.04 C ATOM 951 CG GLU A 81 6.002 -11.964 0.291 1.00 52.03 C ATOM 952 CD GLU A 81 5.326 -11.045 1.289 1.00 24.25 C ATOM 953 OE1 GLU A 81 5.141 -9.853 0.966 1.00 42.21 O ATOM 954 OE2 GLU A 81 4.983 -11.516 2.393 1.00 23.43 O ATOM 0 H GLU A 81 7.885 -11.086 -2.750 1.00 64.34 H new ATOM 0 HA GLU A 81 6.553 -13.359 -1.741 1.00 62.51 H new ATOM 0 HB2 GLU A 81 6.849 -10.605 -1.127 1.00 44.04 H new ATOM 0 HB3 GLU A 81 5.126 -10.860 -1.318 1.00 44.04 H new ATOM 0 HG2 GLU A 81 5.462 -12.910 0.251 1.00 52.03 H new ATOM 0 HG3 GLU A 81 7.012 -12.187 0.635 1.00 52.03 H new ATOM 961 N VAL A 82 4.886 -11.549 -3.948 1.00 62.33 N ATOM 962 CA VAL A 82 3.746 -11.568 -4.857 1.00 21.25 C ATOM 963 C VAL A 82 4.093 -12.280 -6.160 1.00 13.01 C ATOM 964 O VAL A 82 3.208 -12.751 -6.877 1.00 44.40 O ATOM 965 CB VAL A 82 3.260 -10.142 -5.177 1.00 51.33 C ATOM 966 CG1 VAL A 82 1.751 -10.120 -5.362 1.00 20.50 C ATOM 967 CG2 VAL A 82 3.686 -9.176 -4.081 1.00 73.32 C ATOM 0 H VAL A 82 5.477 -10.722 -4.029 1.00 62.33 H new ATOM 0 HA VAL A 82 2.947 -12.111 -4.352 1.00 21.25 H new ATOM 0 HB VAL A 82 3.720 -9.821 -6.112 1.00 51.33 H new ATOM 0 HG11 VAL A 82 1.427 -9.104 -5.587 1.00 20.50 H new ATOM 0 HG12 VAL A 82 1.476 -10.780 -6.185 1.00 20.50 H new ATOM 0 HG13 VAL A 82 1.267 -10.461 -4.447 1.00 20.50 H new ATOM 0 HG21 VAL A 82 3.334 -8.173 -4.323 1.00 73.32 H new ATOM 0 HG22 VAL A 82 3.256 -9.492 -3.130 1.00 73.32 H new ATOM 0 HG23 VAL A 82 4.773 -9.170 -4.003 1.00 73.32 H new ATOM 977 N LEU A 83 5.384 -12.356 -6.460 1.00 3.30 N ATOM 978 CA LEU A 83 5.849 -13.011 -7.677 1.00 75.35 C ATOM 979 C LEU A 83 5.869 -14.527 -7.507 1.00 0.24 C ATOM 980 O LEU A 83 5.389 -15.267 -8.365 1.00 55.24 O ATOM 981 CB LEU A 83 7.246 -12.510 -8.048 1.00 72.31 C ATOM 982 CG LEU A 83 7.605 -12.561 -9.534 1.00 20.33 C ATOM 983 CD1 LEU A 83 7.405 -13.965 -10.084 1.00 73.11 C ATOM 984 CD2 LEU A 83 6.773 -11.556 -10.318 1.00 62.44 C ATOM 0 H LEU A 83 6.128 -11.972 -5.877 1.00 3.30 H new ATOM 0 HA LEU A 83 5.155 -12.763 -8.480 1.00 75.35 H new ATOM 0 HB2 LEU A 83 7.343 -11.479 -7.706 1.00 72.31 H new ATOM 0 HB3 LEU A 83 7.979 -13.099 -7.497 1.00 72.31 H new ATOM 0 HG LEU A 83 8.657 -12.297 -9.643 1.00 20.33 H new ATOM 0 HD11 LEU A 83 7.665 -13.982 -11.142 1.00 73.11 H new ATOM 0 HD12 LEU A 83 8.044 -14.662 -9.542 1.00 73.11 H new ATOM 0 HD13 LEU A 83 6.362 -14.258 -9.962 1.00 73.11 H new ATOM 0 HD21 LEU A 83 7.041 -11.606 -11.373 1.00 62.44 H new ATOM 0 HD22 LEU A 83 5.715 -11.790 -10.201 1.00 62.44 H new ATOM 0 HD23 LEU A 83 6.966 -10.551 -9.942 1.00 62.44 H new ATOM 996 N THR A 84 6.426 -14.984 -6.389 1.00 50.43 N ATOM 997 CA THR A 84 6.508 -16.410 -6.104 1.00 34.53 C ATOM 998 C THR A 84 5.127 -17.058 -6.138 1.00 43.32 C ATOM 999 O THR A 84 5.002 -18.261 -6.364 1.00 71.42 O ATOM 1000 CB THR A 84 7.151 -16.673 -4.729 1.00 30.02 C ATOM 1001 OG1 THR A 84 8.552 -16.381 -4.780 1.00 62.23 O ATOM 1002 CG2 THR A 84 6.944 -18.118 -4.302 1.00 31.22 C ATOM 0 H THR A 84 6.827 -14.386 -5.667 1.00 50.43 H new ATOM 0 HA THR A 84 7.134 -16.851 -6.880 1.00 34.53 H new ATOM 0 HB THR A 84 6.671 -16.023 -3.998 1.00 30.02 H new ATOM 0 HG1 THR A 84 9.057 -17.134 -4.408 1.00 62.23 H new ATOM 0 HG21 THR A 84 7.407 -18.280 -3.328 1.00 31.22 H new ATOM 0 HG22 THR A 84 5.877 -18.329 -4.236 1.00 31.22 H new ATOM 0 HG23 THR A 84 7.400 -18.783 -5.035 1.00 31.22 H new ATOM 1010 N GLU A 85 4.094 -16.252 -5.912 1.00 44.34 N ATOM 1011 CA GLU A 85 2.724 -16.748 -5.918 1.00 14.11 C ATOM 1012 C GLU A 85 2.187 -16.847 -7.343 1.00 12.02 C ATOM 1013 O GLU A 85 1.197 -17.535 -7.598 1.00 41.21 O ATOM 1014 CB GLU A 85 1.824 -15.834 -5.083 1.00 53.55 C ATOM 1015 CG GLU A 85 1.361 -16.461 -3.779 1.00 43.10 C ATOM 1016 CD GLU A 85 2.510 -16.754 -2.833 1.00 12.22 C ATOM 1017 OE1 GLU A 85 2.860 -15.861 -2.033 1.00 5.54 O ATOM 1018 OE2 GLU A 85 3.057 -17.874 -2.893 1.00 22.23 O ATOM 0 H GLU A 85 4.181 -15.253 -5.723 1.00 44.34 H new ATOM 0 HA GLU A 85 2.724 -17.746 -5.479 1.00 14.11 H new ATOM 0 HB2 GLU A 85 2.362 -14.912 -4.862 1.00 53.55 H new ATOM 0 HB3 GLU A 85 0.951 -15.560 -5.675 1.00 53.55 H new ATOM 0 HG2 GLU A 85 0.654 -15.792 -3.289 1.00 43.10 H new ATOM 0 HG3 GLU A 85 0.827 -17.387 -3.994 1.00 43.10 H new ATOM 1025 N ILE A 86 2.845 -16.154 -8.266 1.00 71.23 N ATOM 1026 CA ILE A 86 2.434 -16.164 -9.665 1.00 32.14 C ATOM 1027 C ILE A 86 2.589 -17.554 -10.274 1.00 5.41 C ATOM 1028 O ILE A 86 1.758 -17.991 -11.069 1.00 2.13 O ATOM 1029 CB ILE A 86 3.248 -15.157 -10.498 1.00 13.33 C ATOM 1030 CG1 ILE A 86 3.096 -13.747 -9.924 1.00 13.52 C ATOM 1031 CG2 ILE A 86 2.806 -15.193 -11.953 1.00 24.12 C ATOM 1032 CD1 ILE A 86 3.817 -12.686 -10.727 1.00 32.11 C ATOM 0 H ILE A 86 3.664 -15.579 -8.071 1.00 71.23 H new ATOM 0 HA ILE A 86 1.383 -15.876 -9.687 1.00 32.14 H new ATOM 0 HB ILE A 86 4.301 -15.436 -10.452 1.00 13.33 H new ATOM 0 HG12 ILE A 86 2.036 -13.496 -9.874 1.00 13.52 H new ATOM 0 HG13 ILE A 86 3.474 -13.737 -8.902 1.00 13.52 H new ATOM 0 HG21 ILE A 86 3.391 -14.476 -12.529 1.00 24.12 H new ATOM 0 HG22 ILE A 86 2.961 -16.194 -12.356 1.00 24.12 H new ATOM 0 HG23 ILE A 86 1.749 -14.935 -12.019 1.00 24.12 H new ATOM 0 HD11 ILE A 86 3.665 -11.712 -10.262 1.00 32.11 H new ATOM 0 HD12 ILE A 86 4.883 -12.913 -10.755 1.00 32.11 H new ATOM 0 HD13 ILE A 86 3.423 -12.668 -11.743 1.00 32.11 H new ATOM 1044 N SER A 87 3.661 -18.243 -9.894 1.00 13.24 N ATOM 1045 CA SER A 87 3.927 -19.583 -10.404 1.00 10.24 C ATOM 1046 C SER A 87 3.939 -20.603 -9.269 1.00 64.44 C ATOM 1047 O SER A 87 3.909 -21.810 -9.506 1.00 20.44 O ATOM 1048 CB SER A 87 5.264 -19.613 -11.146 1.00 51.13 C ATOM 1049 OG SER A 87 5.123 -20.201 -12.428 1.00 13.51 O ATOM 0 H SER A 87 4.358 -17.896 -9.236 1.00 13.24 H new ATOM 0 HA SER A 87 3.129 -19.846 -11.098 1.00 10.24 H new ATOM 0 HB2 SER A 87 5.650 -18.599 -11.248 1.00 51.13 H new ATOM 0 HB3 SER A 87 5.994 -20.174 -10.563 1.00 51.13 H new ATOM 0 HG SER A 87 5.927 -20.024 -12.959 1.00 13.51 H new ATOM 1055 N ASN A 88 3.984 -20.108 -8.037 1.00 35.30 N ATOM 1056 CA ASN A 88 4.001 -20.976 -6.865 1.00 24.01 C ATOM 1057 C ASN A 88 5.155 -21.971 -6.941 1.00 62.24 C ATOM 1058 O ASN A 88 4.996 -23.147 -6.616 1.00 51.25 O ATOM 1059 CB ASN A 88 2.674 -21.727 -6.741 1.00 32.21 C ATOM 1060 CG ASN A 88 2.277 -21.966 -5.297 1.00 5.11 C ATOM 1061 OD1 ASN A 88 2.807 -22.860 -4.635 1.00 61.14 O ATOM 1062 ND2 ASN A 88 1.341 -21.167 -4.799 1.00 51.32 N ATOM 0 H ASN A 88 4.009 -19.111 -7.824 1.00 35.30 H new ATOM 0 HA ASN A 88 4.141 -20.350 -5.983 1.00 24.01 H new ATOM 0 HB2 ASN A 88 1.890 -21.158 -7.241 1.00 32.21 H new ATOM 0 HB3 ASN A 88 2.752 -22.684 -7.257 1.00 32.21 H new ATOM 0 HD21 ASN A 88 1.034 -21.281 -3.833 1.00 51.32 H new ATOM 0 HD22 ASN A 88 0.928 -20.439 -5.383 1.00 51.32 H new ATOM 1069 N GLN A 89 6.316 -21.490 -7.373 1.00 1.14 N ATOM 1070 CA GLN A 89 7.498 -22.337 -7.492 1.00 32.35 C ATOM 1071 C GLN A 89 8.634 -21.812 -6.620 1.00 74.13 C ATOM 1072 O GLN A 89 8.735 -20.611 -6.372 1.00 4.53 O ATOM 1073 CB GLN A 89 7.951 -22.414 -8.951 1.00 0.04 C ATOM 1074 CG GLN A 89 7.343 -23.579 -9.715 1.00 12.42 C ATOM 1075 CD GLN A 89 6.381 -23.129 -10.797 1.00 11.54 C ATOM 1076 OE1 GLN A 89 5.251 -23.611 -10.878 1.00 21.41 O ATOM 1077 NE2 GLN A 89 6.823 -22.198 -11.633 1.00 64.02 N ATOM 0 H GLN A 89 6.464 -20.519 -7.647 1.00 1.14 H new ATOM 0 HA GLN A 89 7.234 -23.337 -7.148 1.00 32.35 H new ATOM 0 HB2 GLN A 89 7.688 -21.483 -9.454 1.00 0.04 H new ATOM 0 HB3 GLN A 89 9.037 -22.497 -8.982 1.00 0.04 H new ATOM 0 HG2 GLN A 89 8.141 -24.169 -10.166 1.00 12.42 H new ATOM 0 HG3 GLN A 89 6.819 -24.232 -9.017 1.00 12.42 H new ATOM 0 HE21 GLN A 89 7.767 -21.826 -11.529 1.00 64.02 H new ATOM 0 HE22 GLN A 89 6.219 -21.854 -12.379 1.00 64.02 H new ATOM 1086 N LYS A 90 9.487 -22.720 -6.159 1.00 12.21 N ATOM 1087 CA LYS A 90 10.618 -22.350 -5.317 1.00 32.52 C ATOM 1088 C LYS A 90 11.336 -21.126 -5.876 1.00 35.53 C ATOM 1089 O LYS A 90 11.675 -20.200 -5.138 1.00 23.43 O ATOM 1090 CB LYS A 90 11.597 -23.520 -5.200 1.00 3.13 C ATOM 1091 CG LYS A 90 11.932 -23.891 -3.765 1.00 31.22 C ATOM 1092 CD LYS A 90 12.619 -25.245 -3.686 1.00 65.01 C ATOM 1093 CE LYS A 90 13.264 -25.463 -2.325 1.00 72.01 C ATOM 1094 NZ LYS A 90 13.351 -26.909 -1.979 1.00 24.31 N ATOM 0 H LYS A 90 9.416 -23.719 -6.355 1.00 12.21 H new ATOM 0 HA LYS A 90 10.236 -22.103 -4.326 1.00 32.52 H new ATOM 0 HB2 LYS A 90 11.173 -24.390 -5.702 1.00 3.13 H new ATOM 0 HB3 LYS A 90 12.518 -23.267 -5.725 1.00 3.13 H new ATOM 0 HG2 LYS A 90 12.579 -23.128 -3.332 1.00 31.22 H new ATOM 0 HG3 LYS A 90 11.019 -23.910 -3.170 1.00 31.22 H new ATOM 0 HD2 LYS A 90 11.892 -26.035 -3.876 1.00 65.01 H new ATOM 0 HD3 LYS A 90 13.378 -25.315 -4.465 1.00 65.01 H new ATOM 0 HE2 LYS A 90 14.263 -25.028 -2.323 1.00 72.01 H new ATOM 0 HE3 LYS A 90 12.687 -24.941 -1.562 1.00 72.01 H new ATOM 0 HZ1 LYS A 90 13.796 -27.016 -1.045 1.00 24.31 H new ATOM 0 HZ2 LYS A 90 12.395 -27.319 -1.956 1.00 24.31 H new ATOM 0 HZ3 LYS A 90 13.923 -27.403 -2.694 1.00 24.31 H new ATOM 1108 N THR A 91 11.564 -21.126 -7.186 1.00 33.32 N ATOM 1109 CA THR A 91 12.241 -20.016 -7.844 1.00 74.30 C ATOM 1110 C THR A 91 11.250 -18.930 -8.248 1.00 24.02 C ATOM 1111 O THR A 91 10.069 -18.996 -7.909 1.00 34.14 O ATOM 1112 CB THR A 91 13.006 -20.488 -9.095 1.00 41.22 C ATOM 1113 OG1 THR A 91 12.468 -21.731 -9.560 1.00 1.53 O ATOM 1114 CG2 THR A 91 14.488 -20.651 -8.792 1.00 64.44 C ATOM 0 H THR A 91 11.289 -21.883 -7.812 1.00 33.32 H new ATOM 0 HA THR A 91 12.951 -19.607 -7.125 1.00 74.30 H new ATOM 0 HB THR A 91 12.891 -19.732 -9.871 1.00 41.22 H new ATOM 0 HG1 THR A 91 12.718 -21.865 -10.498 1.00 1.53 H new ATOM 0 HG21 THR A 91 15.008 -20.985 -9.690 1.00 64.44 H new ATOM 0 HG22 THR A 91 14.900 -19.695 -8.468 1.00 64.44 H new ATOM 0 HG23 THR A 91 14.619 -21.390 -8.001 1.00 64.44 H new ATOM 1122 N VAL A 92 11.740 -17.930 -8.974 1.00 64.21 N ATOM 1123 CA VAL A 92 10.897 -16.829 -9.426 1.00 71.31 C ATOM 1124 C VAL A 92 10.790 -16.807 -10.947 1.00 20.04 C ATOM 1125 O VAL A 92 11.052 -15.795 -11.597 1.00 74.23 O ATOM 1126 CB VAL A 92 11.439 -15.472 -8.940 1.00 10.10 C ATOM 1127 CG1 VAL A 92 10.322 -14.441 -8.885 1.00 13.43 C ATOM 1128 CG2 VAL A 92 12.106 -15.620 -7.581 1.00 70.15 C ATOM 0 H VAL A 92 12.716 -17.860 -9.262 1.00 64.21 H new ATOM 0 HA VAL A 92 9.908 -16.991 -8.998 1.00 71.31 H new ATOM 0 HB VAL A 92 12.189 -15.124 -9.651 1.00 10.10 H new ATOM 0 HG11 VAL A 92 10.723 -13.488 -8.540 1.00 13.43 H new ATOM 0 HG12 VAL A 92 9.894 -14.315 -9.879 1.00 13.43 H new ATOM 0 HG13 VAL A 92 9.548 -14.780 -8.197 1.00 13.43 H new ATOM 0 HG21 VAL A 92 12.483 -14.651 -7.253 1.00 70.15 H new ATOM 0 HG22 VAL A 92 11.380 -15.990 -6.858 1.00 70.15 H new ATOM 0 HG23 VAL A 92 12.934 -16.325 -7.657 1.00 70.15 H new ATOM 1138 N PRO A 93 10.397 -17.950 -11.529 1.00 13.12 N ATOM 1139 CA PRO A 93 10.245 -18.087 -12.980 1.00 63.14 C ATOM 1140 C PRO A 93 9.061 -17.290 -13.517 1.00 72.32 C ATOM 1141 O PRO A 93 7.926 -17.476 -13.080 1.00 31.41 O ATOM 1142 CB PRO A 93 10.011 -19.588 -13.173 1.00 4.43 C ATOM 1143 CG PRO A 93 9.437 -20.050 -11.879 1.00 31.15 C ATOM 1144 CD PRO A 93 10.069 -19.195 -10.815 1.00 12.23 C ATOM 0 HA PRO A 93 11.112 -17.704 -13.518 1.00 63.14 H new ATOM 0 HB2 PRO A 93 9.327 -19.779 -14.000 1.00 4.43 H new ATOM 0 HB3 PRO A 93 10.941 -20.108 -13.402 1.00 4.43 H new ATOM 0 HG2 PRO A 93 8.352 -19.942 -11.873 1.00 31.15 H new ATOM 0 HG3 PRO A 93 9.653 -21.105 -11.711 1.00 31.15 H new ATOM 0 HD2 PRO A 93 9.385 -19.014 -9.986 1.00 12.23 H new ATOM 0 HD3 PRO A 93 10.959 -19.665 -10.398 1.00 12.23 H new ATOM 1152 N ASN A 94 9.333 -16.404 -14.469 1.00 14.41 N ATOM 1153 CA ASN A 94 8.288 -15.578 -15.066 1.00 21.54 C ATOM 1154 C ASN A 94 8.446 -15.514 -16.582 1.00 4.50 C ATOM 1155 O ASN A 94 9.414 -14.948 -17.092 1.00 24.02 O ATOM 1156 CB ASN A 94 8.326 -14.166 -14.477 1.00 63.35 C ATOM 1157 CG ASN A 94 7.108 -13.862 -13.626 1.00 71.24 C ATOM 1158 OD1 ASN A 94 6.558 -12.763 -13.683 1.00 13.44 O ATOM 1159 ND2 ASN A 94 6.682 -14.838 -12.833 1.00 21.41 N ATOM 0 H ASN A 94 10.267 -16.239 -14.844 1.00 14.41 H new ATOM 0 HA ASN A 94 7.324 -16.033 -14.838 1.00 21.54 H new ATOM 0 HB2 ASN A 94 9.226 -14.051 -13.873 1.00 63.35 H new ATOM 0 HB3 ASN A 94 8.391 -13.439 -15.287 1.00 63.35 H new ATOM 0 HD21 ASN A 94 5.867 -14.692 -12.238 1.00 21.41 H new ATOM 0 HD22 ASN A 94 7.170 -15.734 -12.819 1.00 21.41 H new ATOM 1166 N ILE A 95 7.489 -16.095 -17.296 1.00 21.30 N ATOM 1167 CA ILE A 95 7.521 -16.103 -18.754 1.00 10.21 C ATOM 1168 C ILE A 95 6.203 -15.602 -19.335 1.00 3.44 C ATOM 1169 O ILE A 95 5.210 -16.329 -19.366 1.00 44.14 O ATOM 1170 CB ILE A 95 7.809 -17.512 -19.303 1.00 40.23 C ATOM 1171 CG1 ILE A 95 7.326 -18.577 -18.317 1.00 34.05 C ATOM 1172 CG2 ILE A 95 9.294 -17.678 -19.585 1.00 4.20 C ATOM 1173 CD1 ILE A 95 8.341 -18.913 -17.247 1.00 62.10 C ATOM 0 H ILE A 95 6.681 -16.567 -16.889 1.00 21.30 H new ATOM 0 HA ILE A 95 8.326 -15.433 -19.056 1.00 10.21 H new ATOM 0 HB ILE A 95 7.265 -17.638 -20.239 1.00 40.23 H new ATOM 0 HG12 ILE A 95 6.409 -18.231 -17.841 1.00 34.05 H new ATOM 0 HG13 ILE A 95 7.076 -19.484 -18.868 1.00 34.05 H new ATOM 0 HG21 ILE A 95 9.481 -18.679 -19.973 1.00 4.20 H new ATOM 0 HG22 ILE A 95 9.609 -16.939 -20.322 1.00 4.20 H new ATOM 0 HG23 ILE A 95 9.858 -17.535 -18.663 1.00 4.20 H new ATOM 0 HD11 ILE A 95 7.932 -19.675 -16.583 1.00 62.10 H new ATOM 0 HD12 ILE A 95 9.251 -19.290 -17.714 1.00 62.10 H new ATOM 0 HD13 ILE A 95 8.573 -18.017 -16.671 1.00 62.10 H new ATOM 1185 N PHE A 96 6.202 -14.355 -19.795 1.00 34.42 N ATOM 1186 CA PHE A 96 5.006 -13.756 -20.377 1.00 24.11 C ATOM 1187 C PHE A 96 5.369 -12.833 -21.536 1.00 2.11 C ATOM 1188 O PHE A 96 6.046 -11.822 -21.350 1.00 54.45 O ATOM 1189 CB PHE A 96 4.231 -12.976 -19.312 1.00 70.54 C ATOM 1190 CG PHE A 96 3.955 -13.773 -18.069 1.00 12.25 C ATOM 1191 CD1 PHE A 96 4.934 -13.934 -17.102 1.00 31.53 C ATOM 1192 CD2 PHE A 96 2.715 -14.358 -17.867 1.00 62.00 C ATOM 1193 CE1 PHE A 96 4.682 -14.668 -15.958 1.00 1.41 C ATOM 1194 CE2 PHE A 96 2.457 -15.092 -16.724 1.00 4.21 C ATOM 1195 CZ PHE A 96 3.442 -15.245 -15.768 1.00 20.33 C ATOM 0 H PHE A 96 7.015 -13.740 -19.776 1.00 34.42 H new ATOM 0 HA PHE A 96 4.376 -14.560 -20.759 1.00 24.11 H new ATOM 0 HB2 PHE A 96 4.796 -12.083 -19.044 1.00 70.54 H new ATOM 0 HB3 PHE A 96 3.285 -12.639 -19.736 1.00 70.54 H new ATOM 0 HD1 PHE A 96 5.904 -13.481 -17.243 1.00 31.53 H new ATOM 0 HD2 PHE A 96 1.941 -14.239 -18.611 1.00 62.00 H new ATOM 0 HE1 PHE A 96 5.455 -14.790 -15.213 1.00 1.41 H new ATOM 0 HE2 PHE A 96 1.487 -15.545 -16.579 1.00 4.21 H new ATOM 0 HZ PHE A 96 3.243 -15.815 -14.873 1.00 20.33 H new ATOM 1205 N VAL A 97 4.915 -13.189 -22.733 1.00 21.22 N ATOM 1206 CA VAL A 97 5.190 -12.394 -23.924 1.00 10.35 C ATOM 1207 C VAL A 97 3.902 -11.857 -24.537 1.00 21.43 C ATOM 1208 O VAL A 97 2.881 -12.544 -24.560 1.00 1.55 O ATOM 1209 CB VAL A 97 5.949 -13.214 -24.984 1.00 52.10 C ATOM 1210 CG1 VAL A 97 5.053 -14.300 -25.560 1.00 0.54 C ATOM 1211 CG2 VAL A 97 6.473 -12.305 -26.085 1.00 20.14 C ATOM 0 H VAL A 97 4.354 -14.024 -22.904 1.00 21.22 H new ATOM 0 HA VAL A 97 5.814 -11.558 -23.608 1.00 10.35 H new ATOM 0 HB VAL A 97 6.802 -13.695 -24.505 1.00 52.10 H new ATOM 0 HG11 VAL A 97 5.606 -14.869 -26.307 1.00 0.54 H new ATOM 0 HG12 VAL A 97 4.730 -14.967 -24.761 1.00 0.54 H new ATOM 0 HG13 VAL A 97 4.180 -13.843 -26.025 1.00 0.54 H new ATOM 0 HG21 VAL A 97 7.007 -12.901 -26.825 1.00 20.14 H new ATOM 0 HG22 VAL A 97 5.637 -11.795 -26.564 1.00 20.14 H new ATOM 0 HG23 VAL A 97 7.151 -11.567 -25.656 1.00 20.14 H new ATOM 1221 N ASN A 98 3.957 -10.627 -25.034 1.00 51.53 N ATOM 1222 CA ASN A 98 2.793 -9.997 -25.649 1.00 44.12 C ATOM 1223 C ASN A 98 1.611 -9.982 -24.685 1.00 34.23 C ATOM 1224 O ASN A 98 0.459 -10.132 -25.094 1.00 61.41 O ATOM 1225 CB ASN A 98 2.408 -10.734 -26.934 1.00 4.33 C ATOM 1226 CG ASN A 98 1.843 -9.801 -27.987 1.00 54.33 C ATOM 1227 OD1 ASN A 98 0.636 -9.563 -28.037 1.00 54.22 O ATOM 1228 ND2 ASN A 98 2.714 -9.268 -28.836 1.00 23.54 N ATOM 0 H ASN A 98 4.795 -10.045 -25.024 1.00 51.53 H new ATOM 0 HA ASN A 98 3.054 -8.967 -25.893 1.00 44.12 H new ATOM 0 HB2 ASN A 98 3.285 -11.242 -27.335 1.00 4.33 H new ATOM 0 HB3 ASN A 98 1.672 -11.504 -26.702 1.00 4.33 H new ATOM 0 HD21 ASN A 98 2.391 -8.633 -29.566 1.00 23.54 H new ATOM 0 HD22 ASN A 98 3.706 -9.493 -28.758 1.00 23.54 H new ATOM 1235 N LYS A 99 1.903 -9.798 -23.402 1.00 5.02 N ATOM 1236 CA LYS A 99 0.865 -9.761 -22.378 1.00 5.03 C ATOM 1237 C LYS A 99 0.160 -11.109 -22.269 1.00 31.42 C ATOM 1238 O LYS A 99 -0.995 -11.185 -21.850 1.00 13.20 O ATOM 1239 CB LYS A 99 -0.154 -8.665 -22.696 1.00 53.21 C ATOM 1240 CG LYS A 99 0.479 -7.336 -23.073 1.00 34.13 C ATOM 1241 CD LYS A 99 0.178 -6.964 -24.515 1.00 21.44 C ATOM 1242 CE LYS A 99 0.351 -5.472 -24.753 1.00 64.43 C ATOM 1243 NZ LYS A 99 0.748 -5.178 -26.158 1.00 65.11 N ATOM 0 H LYS A 99 2.851 -9.672 -23.046 1.00 5.02 H new ATOM 0 HA LYS A 99 1.340 -9.541 -21.422 1.00 5.03 H new ATOM 0 HB2 LYS A 99 -0.791 -9.000 -23.515 1.00 53.21 H new ATOM 0 HB3 LYS A 99 -0.799 -8.518 -21.830 1.00 53.21 H new ATOM 0 HG2 LYS A 99 0.108 -6.554 -22.410 1.00 34.13 H new ATOM 0 HG3 LYS A 99 1.558 -7.392 -22.928 1.00 34.13 H new ATOM 0 HD2 LYS A 99 0.839 -7.519 -25.181 1.00 21.44 H new ATOM 0 HD3 LYS A 99 -0.842 -7.257 -24.762 1.00 21.44 H new ATOM 0 HE2 LYS A 99 -0.582 -4.957 -24.524 1.00 64.43 H new ATOM 0 HE3 LYS A 99 1.107 -5.081 -24.072 1.00 64.43 H new ATOM 0 HZ1 LYS A 99 0.856 -4.151 -26.281 1.00 65.11 H new ATOM 0 HZ2 LYS A 99 1.651 -5.649 -26.369 1.00 65.11 H new ATOM 0 HZ3 LYS A 99 0.015 -5.529 -26.807 1.00 65.11 H new ATOM 1257 N VAL A 100 0.864 -12.172 -22.646 1.00 11.32 N ATOM 1258 CA VAL A 100 0.306 -13.518 -22.587 1.00 31.21 C ATOM 1259 C VAL A 100 1.101 -14.401 -21.633 1.00 64.11 C ATOM 1260 O VAL A 100 2.262 -14.121 -21.332 1.00 12.22 O ATOM 1261 CB VAL A 100 0.281 -14.176 -23.980 1.00 10.03 C ATOM 1262 CG1 VAL A 100 1.509 -15.052 -24.177 1.00 73.22 C ATOM 1263 CG2 VAL A 100 -0.995 -14.983 -24.164 1.00 71.30 C ATOM 0 H VAL A 100 1.821 -12.127 -22.995 1.00 11.32 H new ATOM 0 HA VAL A 100 -0.716 -13.422 -22.221 1.00 31.21 H new ATOM 0 HB VAL A 100 0.299 -13.391 -24.736 1.00 10.03 H new ATOM 0 HG11 VAL A 100 1.475 -15.509 -25.166 1.00 73.22 H new ATOM 0 HG12 VAL A 100 2.408 -14.443 -24.089 1.00 73.22 H new ATOM 0 HG13 VAL A 100 1.525 -15.833 -23.417 1.00 73.22 H new ATOM 0 HG21 VAL A 100 -0.996 -15.441 -25.153 1.00 71.30 H new ATOM 0 HG22 VAL A 100 -1.046 -15.762 -23.403 1.00 71.30 H new ATOM 0 HG23 VAL A 100 -1.859 -14.325 -24.068 1.00 71.30 H new ATOM 1273 N HIS A 101 0.470 -15.472 -21.160 1.00 55.42 N ATOM 1274 CA HIS A 101 1.119 -16.398 -20.240 1.00 53.11 C ATOM 1275 C HIS A 101 1.689 -17.598 -20.990 1.00 34.33 C ATOM 1276 O HIS A 101 0.998 -18.226 -21.793 1.00 30.41 O ATOM 1277 CB HIS A 101 0.129 -16.870 -19.175 1.00 13.32 C ATOM 1278 CG HIS A 101 -1.166 -17.367 -19.739 1.00 14.50 C ATOM 1279 ND1 HIS A 101 -2.248 -16.546 -19.977 1.00 10.13 N ATOM 1280 CD2 HIS A 101 -1.550 -18.609 -20.115 1.00 72.23 C ATOM 1281 CE1 HIS A 101 -3.242 -17.262 -20.473 1.00 5.40 C ATOM 1282 NE2 HIS A 101 -2.843 -18.517 -20.568 1.00 61.31 N ATOM 0 H HIS A 101 -0.490 -15.719 -21.399 1.00 55.42 H new ATOM 0 HA HIS A 101 1.941 -15.872 -19.753 1.00 53.11 H new ATOM 0 HB2 HIS A 101 0.590 -17.666 -18.590 1.00 13.32 H new ATOM 0 HB3 HIS A 101 -0.075 -16.047 -18.490 1.00 13.32 H new ATOM 0 HD2 HIS A 101 -0.951 -19.506 -20.068 1.00 72.23 H new ATOM 0 HE1 HIS A 101 -4.215 -16.885 -20.753 1.00 5.40 H new ATOM 0 HE2 HIS A 101 -3.404 -19.292 -20.921 1.00 61.31 H new ATOM 1290 N VAL A 102 2.952 -17.912 -20.723 1.00 43.11 N ATOM 1291 CA VAL A 102 3.614 -19.037 -21.372 1.00 4.42 C ATOM 1292 C VAL A 102 3.670 -20.249 -20.449 1.00 53.20 C ATOM 1293 O VAL A 102 3.434 -21.378 -20.875 1.00 52.12 O ATOM 1294 CB VAL A 102 5.046 -18.670 -21.807 1.00 73.24 C ATOM 1295 CG1 VAL A 102 5.758 -19.886 -22.379 1.00 31.44 C ATOM 1296 CG2 VAL A 102 5.020 -17.533 -22.818 1.00 23.13 C ATOM 0 H VAL A 102 3.538 -17.403 -20.061 1.00 43.11 H new ATOM 0 HA VAL A 102 3.025 -19.284 -22.256 1.00 4.42 H new ATOM 0 HB VAL A 102 5.599 -18.334 -20.930 1.00 73.24 H new ATOM 0 HG11 VAL A 102 6.768 -19.608 -22.681 1.00 31.44 H new ATOM 0 HG12 VAL A 102 5.808 -20.668 -21.621 1.00 31.44 H new ATOM 0 HG13 VAL A 102 5.209 -20.255 -23.245 1.00 31.44 H new ATOM 0 HG21 VAL A 102 6.039 -17.286 -23.115 1.00 23.13 H new ATOM 0 HG22 VAL A 102 4.451 -17.839 -23.696 1.00 23.13 H new ATOM 0 HG23 VAL A 102 4.551 -16.658 -22.369 1.00 23.13 H new ATOM 1306 N GLY A 103 3.984 -20.005 -19.181 1.00 21.15 N ATOM 1307 CA GLY A 103 4.065 -21.087 -18.216 1.00 41.30 C ATOM 1308 C GLY A 103 5.462 -21.259 -17.654 1.00 33.43 C ATOM 1309 O GLY A 103 5.792 -20.696 -16.610 1.00 71.34 O ATOM 0 H GLY A 103 4.184 -19.078 -18.804 1.00 21.15 H new ATOM 0 HA2 GLY A 103 3.369 -20.894 -17.399 1.00 41.30 H new ATOM 0 HA3 GLY A 103 3.750 -22.017 -18.690 1.00 41.30 H new ATOM 1313 N GLY A 104 6.284 -22.042 -18.346 1.00 3.42 N ATOM 1314 CA GLY A 104 7.644 -22.274 -17.893 1.00 13.34 C ATOM 1315 C GLY A 104 7.781 -23.565 -17.111 1.00 31.31 C ATOM 1316 O GLY A 104 6.791 -24.114 -16.625 1.00 54.43 O ATOM 0 H GLY A 104 6.033 -22.520 -19.212 1.00 3.42 H new ATOM 0 HA2 GLY A 104 8.311 -22.302 -18.755 1.00 13.34 H new ATOM 0 HA3 GLY A 104 7.964 -21.439 -17.269 1.00 13.34 H new ATOM 1320 N CYS A 105 9.011 -24.052 -16.989 1.00 73.00 N ATOM 1321 CA CYS A 105 9.274 -25.290 -16.262 1.00 52.50 C ATOM 1322 C CYS A 105 8.643 -26.482 -16.972 1.00 74.45 C ATOM 1323 O CYS A 105 8.578 -27.582 -16.423 1.00 32.24 O ATOM 1324 CB CYS A 105 8.739 -25.189 -14.832 1.00 63.23 C ATOM 1325 SG CYS A 105 9.479 -26.372 -13.683 1.00 71.54 S ATOM 0 H CYS A 105 9.841 -23.610 -17.383 1.00 73.00 H new ATOM 0 HA CYS A 105 10.353 -25.441 -16.228 1.00 52.50 H new ATOM 0 HB2 CYS A 105 8.914 -24.179 -14.460 1.00 63.23 H new ATOM 0 HB3 CYS A 105 7.660 -25.340 -14.848 1.00 63.23 H new ATOM 0 HG CYS A 105 9.557 -27.538 -14.252 1.00 71.54 H new ATOM 1331 N ASP A 106 8.176 -26.257 -18.196 1.00 5.13 N ATOM 1332 CA ASP A 106 7.549 -27.313 -18.982 1.00 13.43 C ATOM 1333 C ASP A 106 6.972 -26.755 -20.279 1.00 51.20 C ATOM 1334 O ASP A 106 7.164 -27.328 -21.351 1.00 40.35 O ATOM 1335 CB ASP A 106 6.446 -27.994 -18.171 1.00 32.53 C ATOM 1336 CG ASP A 106 5.454 -28.733 -19.048 1.00 21.11 C ATOM 1337 OD1 ASP A 106 5.720 -29.905 -19.387 1.00 31.05 O ATOM 1338 OD2 ASP A 106 4.412 -28.139 -19.397 1.00 43.42 O ATOM 0 H ASP A 106 8.220 -25.352 -18.665 1.00 5.13 H new ATOM 0 HA ASP A 106 8.313 -28.049 -19.232 1.00 13.43 H new ATOM 0 HB2 ASP A 106 6.896 -28.694 -17.467 1.00 32.53 H new ATOM 0 HB3 ASP A 106 5.918 -27.245 -17.581 1.00 32.53 H new ATOM 1343 N ARG A 107 6.265 -25.634 -20.172 1.00 62.54 N ATOM 1344 CA ARG A 107 5.659 -25.001 -21.337 1.00 74.44 C ATOM 1345 C ARG A 107 6.704 -24.244 -22.151 1.00 5.12 C ATOM 1346 O ARG A 107 6.910 -24.525 -23.332 1.00 2.54 O ATOM 1347 CB ARG A 107 4.545 -24.046 -20.902 1.00 42.41 C ATOM 1348 CG ARG A 107 3.287 -24.152 -21.748 1.00 21.14 C ATOM 1349 CD ARG A 107 3.574 -23.858 -23.213 1.00 34.20 C ATOM 1350 NE ARG A 107 2.357 -23.874 -24.021 1.00 44.14 N ATOM 1351 CZ ARG A 107 1.414 -22.940 -23.949 1.00 23.43 C ATOM 1352 NH1 ARG A 107 1.547 -21.923 -23.109 1.00 23.43 N ATOM 1353 NH2 ARG A 107 0.336 -23.024 -24.718 1.00 5.22 N ATOM 0 H ARG A 107 6.098 -25.146 -19.292 1.00 62.54 H new ATOM 0 HA ARG A 107 5.234 -25.784 -21.965 1.00 74.44 H new ATOM 0 HB2 ARG A 107 4.291 -24.248 -19.861 1.00 42.41 H new ATOM 0 HB3 ARG A 107 4.917 -23.023 -20.947 1.00 42.41 H new ATOM 0 HG2 ARG A 107 2.866 -25.153 -21.652 1.00 21.14 H new ATOM 0 HG3 ARG A 107 2.537 -23.454 -21.376 1.00 21.14 H new ATOM 0 HD2 ARG A 107 4.055 -22.884 -23.300 1.00 34.20 H new ATOM 0 HD3 ARG A 107 4.277 -24.596 -23.600 1.00 34.20 H new ATOM 0 HE ARG A 107 2.224 -24.644 -24.676 1.00 44.14 H new ATOM 0 HH11 ARG A 107 2.374 -21.856 -22.516 1.00 23.43 H new ATOM 0 HH12 ARG A 107 0.822 -21.207 -23.056 1.00 23.43 H new ATOM 0 HH21 ARG A 107 0.231 -23.806 -25.365 1.00 5.22 H new ATOM 0 HH22 ARG A 107 -0.387 -22.307 -24.662 1.00 5.22 H new ATOM 1367 N THR A 108 7.362 -23.283 -21.511 1.00 2.30 N ATOM 1368 CA THR A 108 8.384 -22.484 -22.175 1.00 65.20 C ATOM 1369 C THR A 108 9.485 -23.369 -22.751 1.00 3.32 C ATOM 1370 O THR A 108 10.183 -22.977 -23.686 1.00 64.43 O ATOM 1371 CB THR A 108 9.015 -21.463 -21.209 1.00 23.42 C ATOM 1372 OG1 THR A 108 8.016 -20.549 -20.742 1.00 63.52 O ATOM 1373 CG2 THR A 108 10.135 -20.692 -21.892 1.00 31.54 C ATOM 0 H THR A 108 7.205 -23.039 -20.533 1.00 2.30 H new ATOM 0 HA THR A 108 7.890 -21.949 -22.986 1.00 65.20 H new ATOM 0 HB THR A 108 9.434 -22.007 -20.363 1.00 23.42 H new ATOM 0 HG1 THR A 108 8.148 -19.675 -21.166 1.00 63.52 H new ATOM 0 HG21 THR A 108 10.565 -19.977 -21.190 1.00 31.54 H new ATOM 0 HG22 THR A 108 10.907 -21.387 -22.221 1.00 31.54 H new ATOM 0 HG23 THR A 108 9.736 -20.158 -22.755 1.00 31.54 H new ATOM 1381 N PHE A 109 9.634 -24.562 -22.186 1.00 70.40 N ATOM 1382 CA PHE A 109 10.650 -25.502 -22.643 1.00 3.11 C ATOM 1383 C PHE A 109 10.139 -26.323 -23.824 1.00 64.21 C ATOM 1384 O PHE A 109 10.810 -26.438 -24.849 1.00 45.21 O ATOM 1385 CB PHE A 109 11.065 -26.433 -21.502 1.00 65.01 C ATOM 1386 CG PHE A 109 12.292 -25.971 -20.767 1.00 53.23 C ATOM 1387 CD1 PHE A 109 12.231 -24.890 -19.902 1.00 63.43 C ATOM 1388 CD2 PHE A 109 13.505 -26.617 -20.943 1.00 0.15 C ATOM 1389 CE1 PHE A 109 13.358 -24.463 -19.225 1.00 13.33 C ATOM 1390 CE2 PHE A 109 14.634 -26.194 -20.267 1.00 65.04 C ATOM 1391 CZ PHE A 109 14.561 -25.115 -19.408 1.00 41.05 C ATOM 0 H PHE A 109 9.064 -24.901 -21.411 1.00 70.40 H new ATOM 0 HA PHE A 109 11.518 -24.929 -22.969 1.00 3.11 H new ATOM 0 HB2 PHE A 109 10.239 -26.520 -20.796 1.00 65.01 H new ATOM 0 HB3 PHE A 109 11.246 -27.430 -21.905 1.00 65.01 H new ATOM 0 HD1 PHE A 109 11.293 -24.376 -19.755 1.00 63.43 H new ATOM 0 HD2 PHE A 109 13.569 -27.460 -21.615 1.00 0.15 H new ATOM 0 HE1 PHE A 109 13.297 -23.620 -18.553 1.00 13.33 H new ATOM 0 HE2 PHE A 109 15.573 -26.707 -20.411 1.00 65.04 H new ATOM 0 HZ PHE A 109 15.443 -24.782 -18.881 1.00 41.05 H new ATOM 1401 N GLN A 110 8.949 -26.893 -23.669 1.00 73.22 N ATOM 1402 CA GLN A 110 8.349 -27.705 -24.722 1.00 13.20 C ATOM 1403 C GLN A 110 8.021 -26.855 -25.944 1.00 42.12 C ATOM 1404 O GLN A 110 8.436 -27.168 -27.060 1.00 65.23 O ATOM 1405 CB GLN A 110 7.081 -28.389 -24.206 1.00 42.34 C ATOM 1406 CG GLN A 110 7.338 -29.742 -23.564 1.00 61.43 C ATOM 1407 CD GLN A 110 8.586 -29.752 -22.703 1.00 32.35 C ATOM 1408 OE1 GLN A 110 9.706 -29.745 -23.212 1.00 63.32 O ATOM 1409 NE2 GLN A 110 8.397 -29.769 -21.388 1.00 52.55 N ATOM 0 H GLN A 110 8.381 -26.808 -22.826 1.00 73.22 H new ATOM 0 HA GLN A 110 9.071 -28.467 -25.016 1.00 13.20 H new ATOM 0 HB2 GLN A 110 6.597 -27.737 -23.479 1.00 42.34 H new ATOM 0 HB3 GLN A 110 6.384 -28.516 -25.034 1.00 42.34 H new ATOM 0 HG2 GLN A 110 6.478 -30.020 -22.954 1.00 61.43 H new ATOM 0 HG3 GLN A 110 7.433 -30.498 -24.344 1.00 61.43 H new ATOM 0 HE21 GLN A 110 7.450 -29.774 -21.009 1.00 52.55 H new ATOM 0 HE22 GLN A 110 9.199 -29.777 -20.758 1.00 52.55 H new ATOM 1418 N ALA A 111 7.273 -25.778 -25.728 1.00 4.13 N ATOM 1419 CA ALA A 111 6.891 -24.881 -26.812 1.00 24.22 C ATOM 1420 C ALA A 111 8.103 -24.483 -27.648 1.00 24.35 C ATOM 1421 O ALA A 111 7.986 -24.226 -28.846 1.00 23.33 O ATOM 1422 CB ALA A 111 6.202 -23.645 -26.256 1.00 73.14 C ATOM 0 H ALA A 111 6.919 -25.505 -24.811 1.00 4.13 H new ATOM 0 HA ALA A 111 6.193 -25.411 -27.461 1.00 24.22 H new ATOM 0 HB1 ALA A 111 5.922 -22.984 -27.077 1.00 73.14 H new ATOM 0 HB2 ALA A 111 5.308 -23.942 -25.709 1.00 73.14 H new ATOM 0 HB3 ALA A 111 6.881 -23.121 -25.584 1.00 73.14 H new ATOM 1428 N HIS A 112 9.267 -24.432 -27.007 1.00 64.54 N ATOM 1429 CA HIS A 112 10.501 -24.065 -27.692 1.00 42.42 C ATOM 1430 C HIS A 112 10.911 -25.144 -28.690 1.00 12.01 C ATOM 1431 O HIS A 112 11.357 -24.841 -29.796 1.00 51.03 O ATOM 1432 CB HIS A 112 11.624 -23.838 -26.679 1.00 34.42 C ATOM 1433 CG HIS A 112 12.982 -23.735 -27.302 1.00 62.34 C ATOM 1434 ND1 HIS A 112 14.084 -24.409 -26.819 1.00 11.21 N ATOM 1435 CD2 HIS A 112 13.412 -23.035 -28.377 1.00 63.24 C ATOM 1436 CE1 HIS A 112 15.134 -24.125 -27.569 1.00 54.35 C ATOM 1437 NE2 HIS A 112 14.752 -23.293 -28.522 1.00 24.10 N ATOM 0 H HIS A 112 9.381 -24.640 -26.015 1.00 64.54 H new ATOM 0 HA HIS A 112 10.322 -23.139 -28.238 1.00 42.42 H new ATOM 0 HB2 HIS A 112 11.419 -22.924 -26.121 1.00 34.42 H new ATOM 0 HB3 HIS A 112 11.624 -24.657 -25.960 1.00 34.42 H new ATOM 0 HD2 HIS A 112 12.812 -22.393 -29.004 1.00 63.24 H new ATOM 0 HE1 HIS A 112 16.134 -24.508 -27.427 1.00 54.35 H new ATOM 0 HE2 HIS A 112 15.355 -22.906 -29.248 1.00 24.10 H new ATOM 1445 N GLN A 113 10.758 -26.402 -28.290 1.00 62.15 N ATOM 1446 CA GLN A 113 11.113 -27.525 -29.150 1.00 2.23 C ATOM 1447 C GLN A 113 9.947 -27.909 -30.054 1.00 31.14 C ATOM 1448 O GLN A 113 10.135 -28.554 -31.084 1.00 75.11 O ATOM 1449 CB GLN A 113 11.537 -28.727 -28.304 1.00 75.21 C ATOM 1450 CG GLN A 113 12.793 -28.483 -27.485 1.00 0.34 C ATOM 1451 CD GLN A 113 13.112 -29.632 -26.548 1.00 62.42 C ATOM 1452 OE1 GLN A 113 13.465 -30.727 -26.988 1.00 4.21 O ATOM 1453 NE2 GLN A 113 12.988 -29.388 -25.249 1.00 64.32 N ATOM 0 H GLN A 113 10.391 -26.669 -27.377 1.00 62.15 H new ATOM 0 HA GLN A 113 11.949 -27.219 -29.779 1.00 2.23 H new ATOM 0 HB2 GLN A 113 10.721 -28.993 -27.632 1.00 75.21 H new ATOM 0 HB3 GLN A 113 11.702 -29.582 -28.960 1.00 75.21 H new ATOM 0 HG2 GLN A 113 13.636 -28.323 -28.158 1.00 0.34 H new ATOM 0 HG3 GLN A 113 12.671 -27.569 -26.904 1.00 0.34 H new ATOM 0 HE21 GLN A 113 12.693 -28.466 -24.929 1.00 64.32 H new ATOM 0 HE22 GLN A 113 13.188 -30.123 -24.571 1.00 64.32 H new ATOM 1462 N ASN A 114 8.742 -27.508 -29.660 1.00 44.43 N ATOM 1463 CA ASN A 114 7.545 -27.811 -30.436 1.00 1.33 C ATOM 1464 C ASN A 114 7.230 -26.683 -31.413 1.00 61.32 C ATOM 1465 O ASN A 114 6.425 -26.848 -32.330 1.00 10.31 O ATOM 1466 CB ASN A 114 6.354 -28.041 -29.503 1.00 43.14 C ATOM 1467 CG ASN A 114 6.261 -29.478 -29.028 1.00 21.21 C ATOM 1468 OD1 ASN A 114 5.278 -30.170 -29.297 1.00 24.53 O ATOM 1469 ND2 ASN A 114 7.286 -29.934 -28.318 1.00 11.22 N ATOM 0 H ASN A 114 8.569 -26.973 -28.809 1.00 44.43 H new ATOM 0 HA ASN A 114 7.732 -28.720 -31.008 1.00 1.33 H new ATOM 0 HB2 ASN A 114 6.439 -27.381 -28.640 1.00 43.14 H new ATOM 0 HB3 ASN A 114 5.433 -27.772 -30.021 1.00 43.14 H new ATOM 0 HD21 ASN A 114 7.280 -30.893 -27.971 1.00 11.22 H new ATOM 0 HD22 ASN A 114 8.080 -29.325 -28.119 1.00 11.22 H new ATOM 1476 N GLY A 115 7.870 -25.535 -31.212 1.00 21.34 N ATOM 1477 CA GLY A 115 7.645 -24.397 -32.082 1.00 40.13 C ATOM 1478 C GLY A 115 6.508 -23.517 -31.604 1.00 13.51 C ATOM 1479 O GLY A 115 6.269 -22.442 -32.157 1.00 51.13 O ATOM 0 H GLY A 115 8.541 -25.373 -30.461 1.00 21.34 H new ATOM 0 HA2 GLY A 115 8.558 -23.804 -32.143 1.00 40.13 H new ATOM 0 HA3 GLY A 115 7.427 -24.751 -33.089 1.00 40.13 H new ATOM 1483 N LEU A 116 5.802 -23.972 -30.574 1.00 41.51 N ATOM 1484 CA LEU A 116 4.682 -23.218 -30.022 1.00 23.02 C ATOM 1485 C LEU A 116 5.167 -21.946 -29.335 1.00 4.14 C ATOM 1486 O LEU A 116 4.385 -21.032 -29.074 1.00 13.44 O ATOM 1487 CB LEU A 116 3.901 -24.082 -29.030 1.00 53.31 C ATOM 1488 CG LEU A 116 2.576 -23.503 -28.534 1.00 11.11 C ATOM 1489 CD1 LEU A 116 1.574 -24.616 -28.265 1.00 45.34 C ATOM 1490 CD2 LEU A 116 2.794 -22.666 -27.282 1.00 44.04 C ATOM 0 H LEU A 116 5.985 -24.859 -30.105 1.00 41.51 H new ATOM 0 HA LEU A 116 4.025 -22.935 -30.845 1.00 23.02 H new ATOM 0 HB2 LEU A 116 3.701 -25.046 -29.498 1.00 53.31 H new ATOM 0 HB3 LEU A 116 4.537 -24.273 -28.166 1.00 53.31 H new ATOM 0 HG LEU A 116 2.171 -22.857 -29.313 1.00 11.11 H new ATOM 0 HD11 LEU A 116 0.637 -24.185 -27.913 1.00 45.34 H new ATOM 0 HD12 LEU A 116 1.394 -25.173 -29.184 1.00 45.34 H new ATOM 0 HD13 LEU A 116 1.972 -25.288 -27.505 1.00 45.34 H new ATOM 0 HD21 LEU A 116 1.840 -22.262 -26.944 1.00 44.04 H new ATOM 0 HD22 LEU A 116 3.223 -23.290 -26.498 1.00 44.04 H new ATOM 0 HD23 LEU A 116 3.476 -21.846 -27.507 1.00 44.04 H new ATOM 1502 N LEU A 117 6.462 -21.893 -29.045 1.00 24.34 N ATOM 1503 CA LEU A 117 7.054 -20.732 -28.390 1.00 70.41 C ATOM 1504 C LEU A 117 7.483 -19.687 -29.415 1.00 34.40 C ATOM 1505 O LEU A 117 7.141 -18.512 -29.298 1.00 14.14 O ATOM 1506 CB LEU A 117 8.256 -21.156 -27.543 1.00 53.14 C ATOM 1507 CG LEU A 117 8.576 -20.268 -26.341 1.00 2.14 C ATOM 1508 CD1 LEU A 117 7.484 -20.381 -25.287 1.00 42.13 C ATOM 1509 CD2 LEU A 117 9.929 -20.636 -25.751 1.00 22.42 C ATOM 0 H LEU A 117 7.123 -22.641 -29.253 1.00 24.34 H new ATOM 0 HA LEU A 117 6.299 -20.289 -27.741 1.00 70.41 H new ATOM 0 HB2 LEU A 117 8.082 -22.170 -27.184 1.00 53.14 H new ATOM 0 HB3 LEU A 117 9.135 -21.192 -28.187 1.00 53.14 H new ATOM 0 HG LEU A 117 8.619 -19.233 -26.680 1.00 2.14 H new ATOM 0 HD11 LEU A 117 7.729 -19.742 -24.439 1.00 42.13 H new ATOM 0 HD12 LEU A 117 6.532 -20.067 -25.715 1.00 42.13 H new ATOM 0 HD13 LEU A 117 7.408 -21.415 -24.952 1.00 42.13 H new ATOM 0 HD21 LEU A 117 10.140 -19.993 -24.896 1.00 22.42 H new ATOM 0 HD22 LEU A 117 9.914 -21.677 -25.428 1.00 22.42 H new ATOM 0 HD23 LEU A 117 10.704 -20.502 -26.506 1.00 22.42 H new ATOM 1521 N GLN A 118 8.232 -20.127 -30.422 1.00 12.14 N ATOM 1522 CA GLN A 118 8.706 -19.230 -31.469 1.00 5.35 C ATOM 1523 C GLN A 118 7.538 -18.534 -32.159 1.00 51.15 C ATOM 1524 O GLN A 118 7.641 -17.376 -32.563 1.00 45.31 O ATOM 1525 CB GLN A 118 9.534 -20.003 -32.496 1.00 0.13 C ATOM 1526 CG GLN A 118 8.694 -20.800 -33.480 1.00 33.11 C ATOM 1527 CD GLN A 118 9.529 -21.470 -34.553 1.00 10.33 C ATOM 1528 OE1 GLN A 118 10.086 -22.547 -34.341 1.00 34.12 O ATOM 1529 NE2 GLN A 118 9.620 -20.834 -35.715 1.00 63.15 N ATOM 0 H GLN A 118 8.523 -21.098 -30.534 1.00 12.14 H new ATOM 0 HA GLN A 118 9.335 -18.470 -31.005 1.00 5.35 H new ATOM 0 HB2 GLN A 118 10.158 -19.301 -33.049 1.00 0.13 H new ATOM 0 HB3 GLN A 118 10.206 -20.682 -31.971 1.00 0.13 H new ATOM 0 HG2 GLN A 118 8.129 -21.559 -32.938 1.00 33.11 H new ATOM 0 HG3 GLN A 118 7.968 -20.138 -33.951 1.00 33.11 H new ATOM 0 HE21 GLN A 118 9.142 -19.943 -35.847 1.00 63.15 H new ATOM 0 HE22 GLN A 118 10.168 -21.237 -36.475 1.00 63.15 H new ATOM 1538 N LYS A 119 6.426 -19.249 -32.293 1.00 51.04 N ATOM 1539 CA LYS A 119 5.237 -18.701 -32.935 1.00 33.41 C ATOM 1540 C LYS A 119 4.522 -17.722 -32.009 1.00 74.21 C ATOM 1541 O LYS A 119 3.760 -16.866 -32.463 1.00 34.22 O ATOM 1542 CB LYS A 119 4.284 -19.829 -33.336 1.00 52.24 C ATOM 1543 CG LYS A 119 3.914 -20.752 -32.188 1.00 64.30 C ATOM 1544 CD LYS A 119 2.442 -20.637 -31.832 1.00 31.41 C ATOM 1545 CE LYS A 119 2.176 -19.437 -30.937 1.00 30.25 C ATOM 1546 NZ LYS A 119 0.847 -19.524 -30.272 1.00 34.34 N ATOM 0 H LYS A 119 6.323 -20.210 -31.965 1.00 51.04 H new ATOM 0 HA LYS A 119 5.552 -18.164 -33.830 1.00 33.41 H new ATOM 0 HB2 LYS A 119 3.374 -19.394 -33.749 1.00 52.24 H new ATOM 0 HB3 LYS A 119 4.745 -20.417 -34.130 1.00 52.24 H new ATOM 0 HG2 LYS A 119 4.144 -21.782 -32.460 1.00 64.30 H new ATOM 0 HG3 LYS A 119 4.520 -20.510 -31.315 1.00 64.30 H new ATOM 0 HD2 LYS A 119 1.852 -20.549 -32.744 1.00 31.41 H new ATOM 0 HD3 LYS A 119 2.117 -21.547 -31.328 1.00 31.41 H new ATOM 0 HE2 LYS A 119 2.957 -19.369 -30.180 1.00 30.25 H new ATOM 0 HE3 LYS A 119 2.226 -18.524 -31.530 1.00 30.25 H new ATOM 0 HZ1 LYS A 119 0.704 -18.687 -29.671 1.00 34.34 H new ATOM 0 HZ2 LYS A 119 0.099 -19.563 -30.994 1.00 34.34 H new ATOM 0 HZ3 LYS A 119 0.808 -20.382 -29.686 1.00 34.34 H new ATOM 1560 N LEU A 120 4.771 -17.853 -30.711 1.00 54.23 N ATOM 1561 CA LEU A 120 4.152 -16.978 -29.721 1.00 13.21 C ATOM 1562 C LEU A 120 4.905 -15.656 -29.615 1.00 65.20 C ATOM 1563 O LEU A 120 4.300 -14.585 -29.574 1.00 21.15 O ATOM 1564 CB LEU A 120 4.112 -17.667 -28.357 1.00 21.14 C ATOM 1565 CG LEU A 120 3.421 -16.893 -27.234 1.00 35.01 C ATOM 1566 CD1 LEU A 120 1.918 -17.127 -27.272 1.00 4.34 C ATOM 1567 CD2 LEU A 120 3.990 -17.294 -25.880 1.00 44.21 C ATOM 0 H LEU A 120 5.397 -18.556 -30.319 1.00 54.23 H new ATOM 0 HA LEU A 120 3.133 -16.768 -30.045 1.00 13.21 H new ATOM 0 HB2 LEU A 120 3.609 -18.627 -28.472 1.00 21.14 H new ATOM 0 HB3 LEU A 120 5.136 -17.878 -28.049 1.00 21.14 H new ATOM 0 HG LEU A 120 3.608 -15.830 -27.384 1.00 35.01 H new ATOM 0 HD11 LEU A 120 1.442 -16.569 -26.466 1.00 4.34 H new ATOM 0 HD12 LEU A 120 1.521 -16.790 -28.230 1.00 4.34 H new ATOM 0 HD13 LEU A 120 1.712 -18.190 -27.148 1.00 4.34 H new ATOM 0 HD21 LEU A 120 3.486 -16.733 -25.093 1.00 44.21 H new ATOM 0 HD22 LEU A 120 3.834 -18.361 -25.721 1.00 44.21 H new ATOM 0 HD23 LEU A 120 5.058 -17.075 -25.855 1.00 44.21 H new ATOM 1579 N LEU A 121 6.231 -15.739 -29.572 1.00 20.23 N ATOM 1580 CA LEU A 121 7.069 -14.549 -29.473 1.00 21.53 C ATOM 1581 C LEU A 121 6.975 -13.709 -30.742 1.00 54.43 C ATOM 1582 O LEU A 121 7.223 -12.504 -30.719 1.00 12.01 O ATOM 1583 CB LEU A 121 8.525 -14.947 -29.218 1.00 53.00 C ATOM 1584 CG LEU A 121 8.764 -15.907 -28.052 1.00 73.32 C ATOM 1585 CD1 LEU A 121 10.237 -15.936 -27.679 1.00 65.11 C ATOM 1586 CD2 LEU A 121 7.916 -15.512 -26.853 1.00 55.12 C ATOM 0 H LEU A 121 6.748 -16.618 -29.604 1.00 20.23 H new ATOM 0 HA LEU A 121 6.710 -13.950 -28.636 1.00 21.53 H new ATOM 0 HB2 LEU A 121 8.920 -15.404 -30.125 1.00 53.00 H new ATOM 0 HB3 LEU A 121 9.103 -14.040 -29.040 1.00 53.00 H new ATOM 0 HG LEU A 121 8.470 -16.909 -28.365 1.00 73.32 H new ATOM 0 HD11 LEU A 121 10.388 -16.624 -26.848 1.00 65.11 H new ATOM 0 HD12 LEU A 121 10.823 -16.268 -28.536 1.00 65.11 H new ATOM 0 HD13 LEU A 121 10.558 -14.936 -27.385 1.00 65.11 H new ATOM 0 HD21 LEU A 121 8.099 -16.206 -26.033 1.00 55.12 H new ATOM 0 HD22 LEU A 121 8.179 -14.502 -26.539 1.00 55.12 H new ATOM 0 HD23 LEU A 121 6.861 -15.544 -27.127 1.00 55.12 H new ATOM 1598 N GLN A 122 6.611 -14.353 -31.847 1.00 22.32 N ATOM 1599 CA GLN A 122 6.482 -13.664 -33.125 1.00 24.13 C ATOM 1600 C GLN A 122 5.340 -12.654 -33.086 1.00 30.45 C ATOM 1601 O GLN A 122 5.323 -11.691 -33.852 1.00 52.31 O ATOM 1602 CB GLN A 122 6.249 -14.672 -34.250 1.00 72.24 C ATOM 1603 CG GLN A 122 7.510 -15.401 -34.686 1.00 33.43 C ATOM 1604 CD GLN A 122 8.174 -14.753 -35.885 1.00 61.13 C ATOM 1605 OE1 GLN A 122 9.362 -14.431 -35.853 1.00 22.44 O ATOM 1606 NE2 GLN A 122 7.409 -14.558 -36.953 1.00 20.34 N ATOM 0 H GLN A 122 6.400 -15.350 -31.882 1.00 22.32 H new ATOM 0 HA GLN A 122 7.411 -13.127 -33.315 1.00 24.13 H new ATOM 0 HB2 GLN A 122 5.511 -15.404 -33.923 1.00 72.24 H new ATOM 0 HB3 GLN A 122 5.824 -14.153 -35.109 1.00 72.24 H new ATOM 0 HG2 GLN A 122 8.215 -15.428 -33.855 1.00 33.43 H new ATOM 0 HG3 GLN A 122 7.262 -16.435 -34.927 1.00 33.43 H new ATOM 0 HE21 GLN A 122 6.429 -14.840 -36.937 1.00 20.34 H new ATOM 0 HE22 GLN A 122 7.802 -14.126 -37.790 1.00 20.34 H new ATOM 1615 N ASP A 123 4.387 -12.881 -32.188 1.00 51.23 N ATOM 1616 CA ASP A 123 3.240 -11.991 -32.049 1.00 10.42 C ATOM 1617 C ASP A 123 2.306 -12.477 -30.946 1.00 51.42 C ATOM 1618 O ASP A 123 1.941 -11.718 -30.048 1.00 31.43 O ATOM 1619 CB ASP A 123 2.480 -11.892 -33.372 1.00 43.42 C ATOM 1620 CG ASP A 123 2.051 -10.473 -33.689 1.00 4.23 C ATOM 1621 OD1 ASP A 123 1.903 -9.671 -32.742 1.00 62.43 O ATOM 1622 OD2 ASP A 123 1.864 -10.163 -34.884 1.00 51.41 O ATOM 0 H ASP A 123 4.386 -13.673 -31.546 1.00 51.23 H new ATOM 0 HA ASP A 123 3.610 -11.002 -31.778 1.00 10.42 H new ATOM 0 HB2 ASP A 123 3.110 -12.267 -34.179 1.00 43.42 H new ATOM 0 HB3 ASP A 123 1.600 -12.534 -33.331 1.00 43.42 H new ATOM 1627 N ASP A 124 1.921 -13.746 -31.022 1.00 13.35 N ATOM 1628 CA ASP A 124 1.028 -14.335 -30.029 1.00 1.31 C ATOM 1629 C ASP A 124 1.671 -14.327 -28.647 1.00 22.15 C ATOM 1630 O ASP A 124 1.281 -13.549 -27.774 1.00 61.51 O ATOM 1631 CB ASP A 124 0.661 -15.765 -30.427 1.00 44.11 C ATOM 1632 CG ASP A 124 -0.599 -15.828 -31.266 1.00 51.03 C ATOM 1633 OD1 ASP A 124 -1.551 -15.078 -30.964 1.00 50.42 O ATOM 1634 OD2 ASP A 124 -0.635 -16.628 -32.226 1.00 12.04 O ATOM 0 H ASP A 124 2.213 -14.387 -31.760 1.00 13.35 H new ATOM 0 HA ASP A 124 0.120 -13.733 -29.990 1.00 1.31 H new ATOM 0 HB2 ASP A 124 1.487 -16.207 -30.984 1.00 44.11 H new ATOM 0 HB3 ASP A 124 0.525 -16.366 -29.528 1.00 44.11 H new TER 1639 ASP A 124