USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=21 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 110 GLN :FLIP amide:sc= 0.00996 X(o=0,f=0.019) USER MOD Set 1.2: A 114 ASN :FLIP amide:sc= 0.00937 F(o=-0.62,f=0.019) USER MOD Set 2.1: A 87 SER OG : rot -122:sc= 1.02 USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= -0.383 F(o=-1.4,f=0.63) USER MOD Set 3.1: A 80 GLN : amide:sc= -2.18 K(o=-3.3,f=-8.1!) USER MOD Set 3.2: A 84 THR OG1 : rot -120:sc= -1.16 USER MOD Set 4.1: A 44 SER OG : rot 101:sc= -0.0797 USER MOD Set 4.2: A 52 THR OG1 : rot 87:sc= 0.0392 USER MOD Single : A 38 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.23) USER MOD Single : A 41 MET CE :methyl 150:sc= -8.33! (180deg=-15.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 11:sc= -0.978 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -1.7 F(o=-2.2,f=-1.7) USER MOD Single : A 51 SER OG : rot 160:sc= -1.51 USER MOD Single : A 55 LYS NZ :NH3+ -117:sc= -0.233 (180deg=-1.37!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -41:sc= 0.245 USER MOD Single : A 65 TYR OH : rot 162:sc= -0.0368 USER MOD Single : A 66 ASN : amide:sc= -0.266 K(o=-0.27,f=-2.1) USER MOD Single : A 72 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.37) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 94 ASN : amide:sc= -2.58 K(o=-2.6,f=-3.2) USER MOD Single : A 98 ASN : amide:sc= -0.0347 X(o=-0.035,f=-0.25) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.49) USER MOD Single : A 105 CYS SG : rot 180:sc= 0.00781 USER MOD Single : A 108 THR OG1 : rot 149:sc= -1.45 USER MOD Single : A 112 HIS : no HD1:sc= -2.06 X(o=-2.1,f=-1.9) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 23 2.522 -0.272 0.730 1.00 12.34 N ATOM 2 CA ALA A 23 3.075 -0.121 -0.610 1.00 2.42 C ATOM 3 C ALA A 23 3.263 -1.477 -1.282 1.00 43.35 C ATOM 4 O ALA A 23 3.383 -1.563 -2.504 1.00 53.22 O ATOM 5 CB ALA A 23 4.398 0.630 -0.553 1.00 2.00 C ATOM 0 HA ALA A 23 2.367 0.456 -1.206 1.00 2.42 H new ATOM 0 HB1 ALA A 23 4.800 0.736 -1.561 1.00 2.00 H new ATOM 0 HB2 ALA A 23 4.237 1.618 -0.121 1.00 2.00 H new ATOM 0 HB3 ALA A 23 5.105 0.075 0.063 1.00 2.00 H new ATOM 11 N ARG A 24 3.290 -2.533 -0.476 1.00 1.52 N ATOM 12 CA ARG A 24 3.465 -3.885 -0.993 1.00 1.52 C ATOM 13 C ARG A 24 2.470 -4.172 -2.114 1.00 13.20 C ATOM 14 O ARG A 24 2.756 -4.945 -3.027 1.00 31.24 O ATOM 15 CB ARG A 24 3.295 -4.910 0.130 1.00 42.23 C ATOM 16 CG ARG A 24 1.903 -4.918 0.741 1.00 65.05 C ATOM 17 CD ARG A 24 1.786 -5.956 1.846 1.00 3.40 C ATOM 18 NE ARG A 24 1.478 -5.347 3.137 1.00 33.23 N ATOM 19 CZ ARG A 24 0.973 -6.020 4.165 1.00 44.31 C ATOM 20 NH1 ARG A 24 0.723 -7.317 4.053 1.00 30.24 N ATOM 21 NH2 ARG A 24 0.719 -5.396 5.308 1.00 30.53 N ATOM 0 H ARG A 24 3.193 -2.479 0.538 1.00 1.52 H new ATOM 0 HA ARG A 24 4.474 -3.964 -1.398 1.00 1.52 H new ATOM 0 HB2 ARG A 24 3.517 -5.903 -0.259 1.00 42.23 H new ATOM 0 HB3 ARG A 24 4.025 -4.704 0.913 1.00 42.23 H new ATOM 0 HG2 ARG A 24 1.675 -3.931 1.142 1.00 65.05 H new ATOM 0 HG3 ARG A 24 1.165 -5.125 -0.034 1.00 65.05 H new ATOM 0 HD2 ARG A 24 1.007 -6.674 1.588 1.00 3.40 H new ATOM 0 HD3 ARG A 24 2.720 -6.513 1.921 1.00 3.40 H new ATOM 0 HE ARG A 24 1.661 -4.351 3.256 1.00 33.23 H new ATOM 0 HH11 ARG A 24 0.918 -7.800 3.176 1.00 30.24 H new ATOM 0 HH12 ARG A 24 0.335 -7.832 4.844 1.00 30.24 H new ATOM 0 HH21 ARG A 24 0.911 -4.398 5.398 1.00 30.53 H new ATOM 0 HH22 ARG A 24 0.331 -5.914 6.097 1.00 30.53 H new ATOM 35 N GLU A 25 1.301 -3.543 -2.035 1.00 24.13 N ATOM 36 CA GLU A 25 0.264 -3.732 -3.042 1.00 31.22 C ATOM 37 C GLU A 25 0.601 -2.972 -4.321 1.00 51.22 C ATOM 38 O GLU A 25 0.315 -3.435 -5.424 1.00 24.31 O ATOM 39 CB GLU A 25 -1.091 -3.271 -2.503 1.00 15.23 C ATOM 40 CG GLU A 25 -1.117 -1.808 -2.092 1.00 52.13 C ATOM 41 CD GLU A 25 -2.007 -1.554 -0.892 1.00 71.11 C ATOM 42 OE1 GLU A 25 -1.568 -1.838 0.242 1.00 14.03 O ATOM 43 OE2 GLU A 25 -3.143 -1.071 -1.086 1.00 63.30 O ATOM 0 H GLU A 25 1.049 -2.899 -1.285 1.00 24.13 H new ATOM 0 HA GLU A 25 0.211 -4.795 -3.276 1.00 31.22 H new ATOM 0 HB2 GLU A 25 -1.852 -3.439 -3.265 1.00 15.23 H new ATOM 0 HB3 GLU A 25 -1.359 -3.886 -1.644 1.00 15.23 H new ATOM 0 HG2 GLU A 25 -0.103 -1.481 -1.863 1.00 52.13 H new ATOM 0 HG3 GLU A 25 -1.464 -1.205 -2.931 1.00 52.13 H new ATOM 50 N GLU A 26 1.210 -1.801 -4.162 1.00 50.51 N ATOM 51 CA GLU A 26 1.584 -0.974 -5.304 1.00 64.12 C ATOM 52 C GLU A 26 2.624 -1.681 -6.169 1.00 32.13 C ATOM 53 O GLU A 26 2.850 -1.305 -7.319 1.00 43.15 O ATOM 54 CB GLU A 26 2.131 0.374 -4.829 1.00 62.40 C ATOM 55 CG GLU A 26 1.295 1.561 -5.275 1.00 23.22 C ATOM 56 CD GLU A 26 0.193 1.901 -4.292 1.00 35.20 C ATOM 57 OE1 GLU A 26 0.396 1.691 -3.078 1.00 21.44 O ATOM 58 OE2 GLU A 26 -0.874 2.375 -4.735 1.00 61.34 O ATOM 0 H GLU A 26 1.455 -1.404 -3.255 1.00 50.51 H new ATOM 0 HA GLU A 26 0.691 -0.804 -5.905 1.00 64.12 H new ATOM 0 HB2 GLU A 26 2.189 0.370 -3.741 1.00 62.40 H new ATOM 0 HB3 GLU A 26 3.148 0.496 -5.202 1.00 62.40 H new ATOM 0 HG2 GLU A 26 1.942 2.429 -5.404 1.00 23.22 H new ATOM 0 HG3 GLU A 26 0.854 1.345 -6.248 1.00 23.22 H new ATOM 65 N LEU A 27 3.254 -2.706 -5.607 1.00 72.51 N ATOM 66 CA LEU A 27 4.271 -3.467 -6.325 1.00 72.12 C ATOM 67 C LEU A 27 3.633 -4.569 -7.168 1.00 4.34 C ATOM 68 O LEU A 27 3.936 -4.712 -8.352 1.00 14.52 O ATOM 69 CB LEU A 27 5.271 -4.077 -5.342 1.00 1.43 C ATOM 70 CG LEU A 27 6.012 -5.324 -5.823 1.00 75.01 C ATOM 71 CD1 LEU A 27 7.485 -5.245 -5.457 1.00 43.42 C ATOM 72 CD2 LEU A 27 5.381 -6.578 -5.235 1.00 31.21 C ATOM 0 H LEU A 27 3.079 -3.030 -4.656 1.00 72.51 H new ATOM 0 HA LEU A 27 4.797 -2.783 -6.991 1.00 72.12 H new ATOM 0 HB2 LEU A 27 6.009 -3.316 -5.087 1.00 1.43 H new ATOM 0 HB3 LEU A 27 4.740 -4.326 -4.423 1.00 1.43 H new ATOM 0 HG LEU A 27 5.932 -5.375 -6.909 1.00 75.01 H new ATOM 0 HD11 LEU A 27 7.996 -6.142 -5.808 1.00 43.42 H new ATOM 0 HD12 LEU A 27 7.930 -4.367 -5.926 1.00 43.42 H new ATOM 0 HD13 LEU A 27 7.587 -5.169 -4.374 1.00 43.42 H new ATOM 0 HD21 LEU A 27 5.921 -7.457 -5.588 1.00 31.21 H new ATOM 0 HD22 LEU A 27 5.430 -6.534 -4.147 1.00 31.21 H new ATOM 0 HD23 LEU A 27 4.339 -6.642 -5.549 1.00 31.21 H new ATOM 84 N ARG A 28 2.748 -5.343 -6.547 1.00 65.21 N ATOM 85 CA ARG A 28 2.068 -6.430 -7.239 1.00 73.44 C ATOM 86 C ARG A 28 1.392 -5.926 -8.512 1.00 64.53 C ATOM 87 O ARG A 28 1.262 -6.662 -9.490 1.00 44.03 O ATOM 88 CB ARG A 28 1.030 -7.078 -6.321 1.00 14.34 C ATOM 89 CG ARG A 28 1.550 -7.365 -4.922 1.00 62.41 C ATOM 90 CD ARG A 28 0.600 -8.267 -4.149 1.00 52.12 C ATOM 91 NE ARG A 28 -0.185 -7.521 -3.168 1.00 24.21 N ATOM 92 CZ ARG A 28 -1.318 -6.892 -3.458 1.00 44.04 C ATOM 93 NH1 ARG A 28 -1.797 -6.918 -4.695 1.00 20.41 N ATOM 94 NH2 ARG A 28 -1.975 -6.235 -2.512 1.00 2.12 N ATOM 0 H ARG A 28 2.486 -5.237 -5.567 1.00 65.21 H new ATOM 0 HA ARG A 28 2.815 -7.175 -7.514 1.00 73.44 H new ATOM 0 HB2 ARG A 28 0.161 -6.423 -6.250 1.00 14.34 H new ATOM 0 HB3 ARG A 28 0.690 -8.010 -6.772 1.00 14.34 H new ATOM 0 HG2 ARG A 28 2.530 -7.837 -4.987 1.00 62.41 H new ATOM 0 HG3 ARG A 28 1.683 -6.427 -4.383 1.00 62.41 H new ATOM 0 HD2 ARG A 28 -0.072 -8.768 -4.846 1.00 52.12 H new ATOM 0 HD3 ARG A 28 1.171 -9.045 -3.641 1.00 52.12 H new ATOM 0 HE ARG A 28 0.156 -7.481 -2.208 1.00 24.21 H new ATOM 0 HH11 ARG A 28 -1.295 -7.422 -5.426 1.00 20.41 H new ATOM 0 HH12 ARG A 28 -2.667 -6.434 -4.915 1.00 20.41 H new ATOM 0 HH21 ARG A 28 -1.610 -6.212 -1.560 1.00 2.12 H new ATOM 0 HH22 ARG A 28 -2.845 -5.752 -2.737 1.00 2.12 H new ATOM 108 N ARG A 29 0.963 -4.669 -8.490 1.00 4.21 N ATOM 109 CA ARG A 29 0.301 -4.067 -9.641 1.00 71.21 C ATOM 110 C ARG A 29 1.322 -3.591 -10.670 1.00 30.40 C ATOM 111 O ARG A 29 0.997 -3.407 -11.843 1.00 35.14 O ATOM 112 CB ARG A 29 -0.575 -2.895 -9.196 1.00 75.01 C ATOM 113 CG ARG A 29 0.153 -1.561 -9.184 1.00 32.34 C ATOM 114 CD ARG A 29 -0.585 -0.531 -8.341 1.00 62.53 C ATOM 115 NE ARG A 29 -1.187 0.517 -9.160 1.00 65.32 N ATOM 116 CZ ARG A 29 -2.358 0.389 -9.774 1.00 64.51 C ATOM 117 NH1 ARG A 29 -3.049 -0.736 -9.662 1.00 33.44 N ATOM 118 NH2 ARG A 29 -2.838 1.388 -10.503 1.00 54.21 N ATOM 0 H ARG A 29 1.062 -4.047 -7.688 1.00 4.21 H new ATOM 0 HA ARG A 29 -0.328 -4.827 -10.105 1.00 71.21 H new ATOM 0 HB2 ARG A 29 -1.436 -2.823 -9.860 1.00 75.01 H new ATOM 0 HB3 ARG A 29 -0.959 -3.099 -8.197 1.00 75.01 H new ATOM 0 HG2 ARG A 29 1.161 -1.699 -8.792 1.00 32.34 H new ATOM 0 HG3 ARG A 29 0.255 -1.192 -10.204 1.00 32.34 H new ATOM 0 HD2 ARG A 29 -1.362 -1.028 -7.760 1.00 62.53 H new ATOM 0 HD3 ARG A 29 0.108 -0.082 -7.629 1.00 62.53 H new ATOM 0 HE ARG A 29 -0.681 1.396 -9.267 1.00 65.32 H new ATOM 0 HH11 ARG A 29 -2.682 -1.506 -9.103 1.00 33.44 H new ATOM 0 HH12 ARG A 29 -3.948 -0.832 -10.135 1.00 33.44 H new ATOM 0 HH21 ARG A 29 -2.308 2.255 -10.592 1.00 54.21 H new ATOM 0 HH22 ARG A 29 -3.737 1.289 -10.974 1.00 54.21 H new ATOM 132 N ARG A 30 2.557 -3.394 -10.222 1.00 2.41 N ATOM 133 CA ARG A 30 3.626 -2.937 -11.103 1.00 34.33 C ATOM 134 C ARG A 30 4.272 -4.114 -11.828 1.00 32.01 C ATOM 135 O ARG A 30 4.784 -3.968 -12.938 1.00 74.31 O ATOM 136 CB ARG A 30 4.683 -2.174 -10.304 1.00 2.42 C ATOM 137 CG ARG A 30 5.157 -0.899 -10.984 1.00 30.24 C ATOM 138 CD ARG A 30 6.150 -0.141 -10.117 1.00 31.13 C ATOM 139 NE ARG A 30 6.338 1.233 -10.572 1.00 54.34 N ATOM 140 CZ ARG A 30 7.224 2.069 -10.042 1.00 73.22 C ATOM 141 NH1 ARG A 30 8.000 1.672 -9.043 1.00 75.11 N ATOM 142 NH2 ARG A 30 7.335 3.305 -10.512 1.00 4.11 N ATOM 0 H ARG A 30 2.843 -3.543 -9.254 1.00 2.41 H new ATOM 0 HA ARG A 30 3.190 -2.269 -11.846 1.00 34.33 H new ATOM 0 HB2 ARG A 30 4.275 -1.924 -9.325 1.00 2.42 H new ATOM 0 HB3 ARG A 30 5.540 -2.826 -10.135 1.00 2.42 H new ATOM 0 HG2 ARG A 30 5.621 -1.146 -11.939 1.00 30.24 H new ATOM 0 HG3 ARG A 30 4.300 -0.261 -11.201 1.00 30.24 H new ATOM 0 HD2 ARG A 30 5.800 -0.136 -9.085 1.00 31.13 H new ATOM 0 HD3 ARG A 30 7.109 -0.660 -10.126 1.00 31.13 H new ATOM 0 HE ARG A 30 5.757 1.570 -11.340 1.00 54.34 H new ATOM 0 HH11 ARG A 30 7.918 0.723 -8.679 1.00 75.11 H new ATOM 0 HH12 ARG A 30 8.679 2.316 -8.638 1.00 75.11 H new ATOM 0 HH21 ARG A 30 6.740 3.614 -11.281 1.00 4.11 H new ATOM 0 HH22 ARG A 30 8.015 3.946 -10.105 1.00 4.11 H new ATOM 156 N LEU A 31 4.246 -5.281 -11.192 1.00 62.21 N ATOM 157 CA LEU A 31 4.830 -6.483 -11.775 1.00 61.13 C ATOM 158 C LEU A 31 4.068 -6.906 -13.028 1.00 43.35 C ATOM 159 O LEU A 31 4.660 -7.095 -14.092 1.00 34.53 O ATOM 160 CB LEU A 31 4.827 -7.623 -10.755 1.00 73.01 C ATOM 161 CG LEU A 31 5.461 -7.310 -9.399 1.00 62.20 C ATOM 162 CD1 LEU A 31 5.761 -8.595 -8.642 1.00 13.43 C ATOM 163 CD2 LEU A 31 6.728 -6.488 -9.579 1.00 40.34 C ATOM 0 H LEU A 31 3.827 -5.419 -10.273 1.00 62.21 H new ATOM 0 HA LEU A 31 5.859 -6.257 -12.055 1.00 61.13 H new ATOM 0 HB2 LEU A 31 3.795 -7.933 -10.589 1.00 73.01 H new ATOM 0 HB3 LEU A 31 5.349 -8.475 -11.190 1.00 73.01 H new ATOM 0 HG LEU A 31 4.752 -6.724 -8.815 1.00 62.20 H new ATOM 0 HD11 LEU A 31 6.212 -8.353 -7.679 1.00 13.43 H new ATOM 0 HD12 LEU A 31 4.835 -9.147 -8.481 1.00 13.43 H new ATOM 0 HD13 LEU A 31 6.451 -9.207 -9.223 1.00 13.43 H new ATOM 0 HD21 LEU A 31 7.165 -6.275 -8.603 1.00 40.34 H new ATOM 0 HD22 LEU A 31 7.442 -7.048 -10.182 1.00 40.34 H new ATOM 0 HD23 LEU A 31 6.486 -5.551 -10.080 1.00 40.34 H new ATOM 175 N ARG A 32 2.754 -7.049 -12.895 1.00 51.10 N ATOM 176 CA ARG A 32 1.911 -7.448 -14.016 1.00 62.23 C ATOM 177 C ARG A 32 1.883 -6.362 -15.088 1.00 54.15 C ATOM 178 O ARG A 32 1.589 -6.632 -16.252 1.00 74.42 O ATOM 179 CB ARG A 32 0.489 -7.742 -13.534 1.00 43.45 C ATOM 180 CG ARG A 32 -0.200 -8.850 -14.313 1.00 13.34 C ATOM 181 CD ARG A 32 -0.834 -9.872 -13.382 1.00 62.50 C ATOM 182 NE ARG A 32 -1.975 -10.541 -13.999 1.00 74.11 N ATOM 183 CZ ARG A 32 -1.866 -11.414 -14.994 1.00 75.02 C ATOM 184 NH1 ARG A 32 -0.673 -11.723 -15.482 1.00 44.13 N ATOM 185 NH2 ARG A 32 -2.952 -11.982 -15.504 1.00 12.50 N ATOM 0 H ARG A 32 2.250 -6.895 -12.022 1.00 51.10 H new ATOM 0 HA ARG A 32 2.333 -8.354 -14.452 1.00 62.23 H new ATOM 0 HB2 ARG A 32 0.521 -8.016 -12.480 1.00 43.45 H new ATOM 0 HB3 ARG A 32 -0.107 -6.832 -13.609 1.00 43.45 H new ATOM 0 HG2 ARG A 32 -0.965 -8.421 -14.959 1.00 13.34 H new ATOM 0 HG3 ARG A 32 0.523 -9.345 -14.961 1.00 13.34 H new ATOM 0 HD2 ARG A 32 -0.089 -10.615 -13.098 1.00 62.50 H new ATOM 0 HD3 ARG A 32 -1.156 -9.377 -12.466 1.00 62.50 H new ATOM 0 HE ARG A 32 -2.908 -10.326 -13.647 1.00 74.11 H new ATOM 0 HH11 ARG A 32 0.165 -11.290 -15.093 1.00 44.13 H new ATOM 0 HH12 ARG A 32 -0.593 -12.394 -16.246 1.00 44.13 H new ATOM 0 HH21 ARG A 32 -3.872 -11.748 -15.132 1.00 12.50 H new ATOM 0 HH22 ARG A 32 -2.866 -12.652 -16.268 1.00 12.50 H new ATOM 199 N ASP A 33 2.190 -5.134 -14.687 1.00 4.23 N ATOM 200 CA ASP A 33 2.201 -4.007 -15.612 1.00 34.15 C ATOM 201 C ASP A 33 3.530 -3.925 -16.354 1.00 4.23 C ATOM 202 O ASP A 33 3.576 -3.570 -17.532 1.00 55.12 O ATOM 203 CB ASP A 33 1.940 -2.701 -14.860 1.00 53.43 C ATOM 204 CG ASP A 33 1.706 -1.531 -15.797 1.00 40.21 C ATOM 205 OD1 ASP A 33 1.214 -1.760 -16.921 1.00 53.14 O ATOM 206 OD2 ASP A 33 2.015 -0.387 -15.405 1.00 11.34 O ATOM 0 H ASP A 33 2.435 -4.893 -13.727 1.00 4.23 H new ATOM 0 HA ASP A 33 1.408 -4.161 -16.343 1.00 34.15 H new ATOM 0 HB2 ASP A 33 1.071 -2.825 -14.213 1.00 53.43 H new ATOM 0 HB3 ASP A 33 2.790 -2.481 -14.214 1.00 53.43 H new ATOM 211 N LEU A 34 4.612 -4.255 -15.657 1.00 10.33 N ATOM 212 CA LEU A 34 5.945 -4.217 -16.248 1.00 75.10 C ATOM 213 C LEU A 34 6.019 -5.114 -17.480 1.00 22.23 C ATOM 214 O LEU A 34 6.889 -4.942 -18.333 1.00 64.40 O ATOM 215 CB LEU A 34 6.992 -4.653 -15.223 1.00 21.14 C ATOM 216 CG LEU A 34 8.376 -4.994 -15.779 1.00 34.25 C ATOM 217 CD1 LEU A 34 8.922 -3.835 -16.598 1.00 70.21 C ATOM 218 CD2 LEU A 34 9.332 -5.348 -14.649 1.00 61.12 C ATOM 0 H LEU A 34 4.592 -4.552 -14.681 1.00 10.33 H new ATOM 0 HA LEU A 34 6.151 -3.191 -16.554 1.00 75.10 H new ATOM 0 HB2 LEU A 34 7.104 -3.857 -14.487 1.00 21.14 H new ATOM 0 HB3 LEU A 34 6.611 -5.526 -14.693 1.00 21.14 H new ATOM 0 HG LEU A 34 8.281 -5.861 -16.433 1.00 34.25 H new ATOM 0 HD11 LEU A 34 9.907 -4.095 -16.985 1.00 70.21 H new ATOM 0 HD12 LEU A 34 8.248 -3.628 -17.429 1.00 70.21 H new ATOM 0 HD13 LEU A 34 9.003 -2.950 -15.967 1.00 70.21 H new ATOM 0 HD21 LEU A 34 10.311 -5.588 -15.063 1.00 61.12 H new ATOM 0 HD22 LEU A 34 9.423 -4.500 -13.970 1.00 61.12 H new ATOM 0 HD23 LEU A 34 8.948 -6.210 -14.104 1.00 61.12 H new ATOM 230 N ILE A 35 5.099 -6.070 -17.566 1.00 13.10 N ATOM 231 CA ILE A 35 5.058 -6.991 -18.695 1.00 4.15 C ATOM 232 C ILE A 35 4.322 -6.376 -19.880 1.00 21.12 C ATOM 233 O ILE A 35 4.531 -6.773 -21.026 1.00 33.25 O ATOM 234 CB ILE A 35 4.376 -8.318 -18.313 1.00 62.54 C ATOM 235 CG1 ILE A 35 5.227 -9.079 -17.295 1.00 65.43 C ATOM 236 CG2 ILE A 35 4.139 -9.167 -19.553 1.00 45.25 C ATOM 237 CD1 ILE A 35 4.547 -9.262 -15.956 1.00 11.33 C ATOM 0 H ILE A 35 4.373 -6.226 -16.867 1.00 13.10 H new ATOM 0 HA ILE A 35 6.092 -7.191 -18.978 1.00 4.15 H new ATOM 0 HB ILE A 35 3.411 -8.096 -17.858 1.00 62.54 H new ATOM 0 HG12 ILE A 35 5.478 -10.058 -17.703 1.00 65.43 H new ATOM 0 HG13 ILE A 35 6.166 -8.545 -17.147 1.00 65.43 H new ATOM 0 HG21 ILE A 35 3.656 -10.102 -19.267 1.00 45.25 H new ATOM 0 HG22 ILE A 35 3.497 -8.625 -20.248 1.00 45.25 H new ATOM 0 HG23 ILE A 35 5.093 -9.383 -20.034 1.00 45.25 H new ATOM 0 HD11 ILE A 35 5.208 -9.809 -15.284 1.00 11.33 H new ATOM 0 HD12 ILE A 35 4.320 -8.286 -15.527 1.00 11.33 H new ATOM 0 HD13 ILE A 35 3.622 -9.823 -16.091 1.00 11.33 H new ATOM 249 N GLU A 36 3.461 -5.404 -19.595 1.00 30.11 N ATOM 250 CA GLU A 36 2.694 -4.733 -20.639 1.00 5.23 C ATOM 251 C GLU A 36 3.522 -3.635 -21.301 1.00 4.41 C ATOM 252 O GLU A 36 3.404 -3.391 -22.501 1.00 30.23 O ATOM 253 CB GLU A 36 1.410 -4.139 -20.057 1.00 0.01 C ATOM 254 CG GLU A 36 0.557 -3.413 -21.083 1.00 51.45 C ATOM 255 CD GLU A 36 0.460 -1.924 -20.813 1.00 34.21 C ATOM 256 OE1 GLU A 36 1.325 -1.173 -21.307 1.00 41.53 O ATOM 257 OE2 GLU A 36 -0.484 -1.511 -20.106 1.00 72.40 O ATOM 0 H GLU A 36 3.277 -5.064 -18.651 1.00 30.11 H new ATOM 0 HA GLU A 36 2.433 -5.473 -21.395 1.00 5.23 H new ATOM 0 HB2 GLU A 36 0.821 -4.938 -19.607 1.00 0.01 H new ATOM 0 HB3 GLU A 36 1.670 -3.446 -19.257 1.00 0.01 H new ATOM 0 HG2 GLU A 36 0.977 -3.572 -22.076 1.00 51.45 H new ATOM 0 HG3 GLU A 36 -0.444 -3.844 -21.087 1.00 51.45 H new ATOM 264 N GLY A 37 4.360 -2.974 -20.508 1.00 1.00 N ATOM 265 CA GLY A 37 5.194 -1.909 -21.034 1.00 25.04 C ATOM 266 C GLY A 37 6.329 -2.431 -21.892 1.00 63.01 C ATOM 267 O GLY A 37 6.978 -1.668 -22.606 1.00 4.35 O ATOM 0 H GLY A 37 4.476 -3.157 -19.511 1.00 1.00 H new ATOM 0 HA2 GLY A 37 4.580 -1.229 -21.624 1.00 25.04 H new ATOM 0 HA3 GLY A 37 5.605 -1.331 -20.206 1.00 25.04 H new ATOM 271 N ASN A 38 6.570 -3.737 -21.821 1.00 41.01 N ATOM 272 CA ASN A 38 7.637 -4.360 -22.597 1.00 35.31 C ATOM 273 C ASN A 38 7.140 -5.629 -23.283 1.00 14.10 C ATOM 274 O ASN A 38 6.473 -6.460 -22.666 1.00 61.22 O ATOM 275 CB ASN A 38 8.827 -4.688 -21.694 1.00 4.23 C ATOM 276 CG ASN A 38 9.299 -3.486 -20.899 1.00 52.43 C ATOM 277 OD1 ASN A 38 10.262 -2.817 -21.276 1.00 30.52 O ATOM 278 ND2 ASN A 38 8.619 -3.204 -19.794 1.00 45.01 N ATOM 0 H ASN A 38 6.042 -4.383 -21.235 1.00 41.01 H new ATOM 0 HA ASN A 38 7.955 -3.654 -23.364 1.00 35.31 H new ATOM 0 HB2 ASN A 38 8.549 -5.488 -21.007 1.00 4.23 H new ATOM 0 HB3 ASN A 38 9.649 -5.063 -22.303 1.00 4.23 H new ATOM 0 HD21 ASN A 38 8.888 -2.405 -19.219 1.00 45.01 H new ATOM 0 HD22 ASN A 38 7.827 -3.786 -19.520 1.00 45.01 H new ATOM 285 N ARG A 39 7.469 -5.771 -24.563 1.00 13.12 N ATOM 286 CA ARG A 39 7.057 -6.938 -25.333 1.00 34.23 C ATOM 287 C ARG A 39 7.330 -8.224 -24.559 1.00 74.14 C ATOM 288 O ARG A 39 6.445 -9.065 -24.399 1.00 70.03 O ATOM 289 CB ARG A 39 7.787 -6.973 -26.677 1.00 21.13 C ATOM 290 CG ARG A 39 6.997 -7.654 -27.782 1.00 33.43 C ATOM 291 CD ARG A 39 7.416 -9.106 -27.954 1.00 53.32 C ATOM 292 NE ARG A 39 7.659 -9.442 -29.354 1.00 31.31 N ATOM 293 CZ ARG A 39 6.698 -9.522 -30.268 1.00 2.34 C ATOM 294 NH1 ARG A 39 5.436 -9.289 -29.931 1.00 4.10 N ATOM 295 NH2 ARG A 39 6.998 -9.834 -31.522 1.00 71.12 N ATOM 0 H ARG A 39 8.020 -5.092 -25.088 1.00 13.12 H new ATOM 0 HA ARG A 39 5.984 -6.864 -25.512 1.00 34.23 H new ATOM 0 HB2 ARG A 39 8.017 -5.952 -26.983 1.00 21.13 H new ATOM 0 HB3 ARG A 39 8.738 -7.490 -26.551 1.00 21.13 H new ATOM 0 HG2 ARG A 39 5.933 -7.606 -27.552 1.00 33.43 H new ATOM 0 HG3 ARG A 39 7.145 -7.118 -28.720 1.00 33.43 H new ATOM 0 HD2 ARG A 39 8.319 -9.294 -27.374 1.00 53.32 H new ATOM 0 HD3 ARG A 39 6.639 -9.758 -27.554 1.00 53.32 H new ATOM 0 HE ARG A 39 8.619 -9.625 -29.646 1.00 31.31 H new ATOM 0 HH11 ARG A 39 5.201 -9.048 -28.968 1.00 4.10 H new ATOM 0 HH12 ARG A 39 4.700 -9.351 -30.635 1.00 4.10 H new ATOM 0 HH21 ARG A 39 7.967 -10.013 -31.785 1.00 71.12 H new ATOM 0 HH22 ARG A 39 6.260 -9.895 -32.223 1.00 71.12 H new ATOM 309 N VAL A 40 8.562 -8.372 -24.082 1.00 12.22 N ATOM 310 CA VAL A 40 8.952 -9.555 -23.325 1.00 42.13 C ATOM 311 C VAL A 40 9.517 -9.173 -21.961 1.00 12.02 C ATOM 312 O VAL A 40 10.441 -8.367 -21.865 1.00 23.53 O ATOM 313 CB VAL A 40 10.000 -10.388 -24.087 1.00 33.34 C ATOM 314 CG1 VAL A 40 10.295 -11.683 -23.344 1.00 73.15 C ATOM 315 CG2 VAL A 40 9.525 -10.673 -25.504 1.00 0.30 C ATOM 0 H VAL A 40 9.307 -7.687 -24.207 1.00 12.22 H new ATOM 0 HA VAL A 40 8.052 -10.154 -23.188 1.00 42.13 H new ATOM 0 HB VAL A 40 10.924 -9.813 -24.147 1.00 33.34 H new ATOM 0 HG11 VAL A 40 11.037 -12.259 -23.897 1.00 73.15 H new ATOM 0 HG12 VAL A 40 10.680 -11.453 -22.351 1.00 73.15 H new ATOM 0 HG13 VAL A 40 9.379 -12.266 -23.252 1.00 73.15 H new ATOM 0 HG21 VAL A 40 10.277 -11.262 -26.028 1.00 0.30 H new ATOM 0 HG22 VAL A 40 8.588 -11.229 -25.469 1.00 0.30 H new ATOM 0 HG23 VAL A 40 9.369 -9.732 -26.032 1.00 0.30 H new ATOM 325 N MET A 41 8.953 -9.758 -20.909 1.00 62.44 N ATOM 326 CA MET A 41 9.402 -9.481 -19.550 1.00 14.03 C ATOM 327 C MET A 41 9.648 -10.776 -18.783 1.00 63.04 C ATOM 328 O MET A 41 8.808 -11.677 -18.783 1.00 62.02 O ATOM 329 CB MET A 41 8.368 -8.627 -18.813 1.00 33.25 C ATOM 330 CG MET A 41 8.726 -8.358 -17.360 1.00 72.31 C ATOM 331 SD MET A 41 10.341 -7.579 -17.175 1.00 42.55 S ATOM 332 CE MET A 41 11.025 -8.534 -15.824 1.00 3.44 C ATOM 0 H MET A 41 8.185 -10.426 -20.972 1.00 62.44 H new ATOM 0 HA MET A 41 10.341 -8.931 -19.610 1.00 14.03 H new ATOM 0 HB2 MET A 41 8.257 -7.676 -19.333 1.00 33.25 H new ATOM 0 HB3 MET A 41 7.400 -9.127 -18.854 1.00 33.25 H new ATOM 0 HG2 MET A 41 7.965 -7.717 -16.915 1.00 72.31 H new ATOM 0 HG3 MET A 41 8.715 -9.297 -16.807 1.00 72.31 H new ATOM 0 HE1 MET A 41 12.110 -8.578 -15.922 1.00 3.44 H new ATOM 0 HE2 MET A 41 10.765 -8.062 -14.877 1.00 3.44 H new ATOM 0 HE3 MET A 41 10.617 -9.544 -15.849 1.00 3.44 H new ATOM 342 N ILE A 42 10.802 -10.863 -18.132 1.00 44.35 N ATOM 343 CA ILE A 42 11.157 -12.048 -17.362 1.00 3.13 C ATOM 344 C ILE A 42 11.844 -11.668 -16.054 1.00 24.32 C ATOM 345 O ILE A 42 12.763 -10.850 -16.037 1.00 42.54 O ATOM 346 CB ILE A 42 12.084 -12.984 -18.162 1.00 13.13 C ATOM 347 CG1 ILE A 42 13.169 -12.175 -18.874 1.00 71.05 C ATOM 348 CG2 ILE A 42 11.277 -13.796 -19.163 1.00 75.42 C ATOM 349 CD1 ILE A 42 14.575 -12.619 -18.535 1.00 31.41 C ATOM 0 H ILE A 42 11.508 -10.127 -18.122 1.00 44.35 H new ATOM 0 HA ILE A 42 10.227 -12.572 -17.143 1.00 3.13 H new ATOM 0 HB ILE A 42 12.568 -13.673 -17.470 1.00 13.13 H new ATOM 0 HG12 ILE A 42 13.022 -12.254 -19.951 1.00 71.05 H new ATOM 0 HG13 ILE A 42 13.056 -11.123 -18.613 1.00 71.05 H new ATOM 0 HG21 ILE A 42 11.944 -14.453 -19.721 1.00 75.42 H new ATOM 0 HG22 ILE A 42 10.537 -14.396 -18.633 1.00 75.42 H new ATOM 0 HG23 ILE A 42 10.770 -13.122 -19.854 1.00 75.42 H new ATOM 0 HD11 ILE A 42 15.292 -12.001 -19.076 1.00 31.41 H new ATOM 0 HD12 ILE A 42 14.741 -12.514 -17.463 1.00 31.41 H new ATOM 0 HD13 ILE A 42 14.706 -13.662 -18.822 1.00 31.41 H new ATOM 361 N PHE A 43 11.394 -12.271 -14.959 1.00 10.45 N ATOM 362 CA PHE A 43 11.965 -11.997 -13.645 1.00 63.33 C ATOM 363 C PHE A 43 12.820 -13.168 -13.169 1.00 52.55 C ATOM 364 O PHE A 43 12.538 -14.325 -13.483 1.00 2.50 O ATOM 365 CB PHE A 43 10.854 -11.716 -12.631 1.00 2.22 C ATOM 366 CG PHE A 43 10.040 -10.497 -12.955 1.00 42.44 C ATOM 367 CD1 PHE A 43 9.095 -10.528 -13.970 1.00 23.23 C ATOM 368 CD2 PHE A 43 10.218 -9.319 -12.248 1.00 31.13 C ATOM 369 CE1 PHE A 43 8.345 -9.407 -14.271 1.00 20.15 C ATOM 370 CE2 PHE A 43 9.470 -8.195 -12.545 1.00 1.13 C ATOM 371 CZ PHE A 43 8.532 -8.239 -13.557 1.00 22.51 C ATOM 0 H PHE A 43 10.635 -12.953 -14.955 1.00 10.45 H new ATOM 0 HA PHE A 43 12.601 -11.116 -13.729 1.00 63.33 H new ATOM 0 HB2 PHE A 43 10.193 -12.581 -12.580 1.00 2.22 H new ATOM 0 HB3 PHE A 43 11.298 -11.595 -11.643 1.00 2.22 H new ATOM 0 HD1 PHE A 43 8.944 -11.438 -14.531 1.00 23.23 H new ATOM 0 HD2 PHE A 43 10.950 -9.278 -11.455 1.00 31.13 H new ATOM 0 HE1 PHE A 43 7.613 -9.444 -15.064 1.00 20.15 H new ATOM 0 HE2 PHE A 43 9.619 -7.283 -11.986 1.00 1.13 H new ATOM 0 HZ PHE A 43 7.946 -7.362 -13.790 1.00 22.51 H new ATOM 381 N SER A 44 13.867 -12.859 -12.411 1.00 11.45 N ATOM 382 CA SER A 44 14.766 -13.883 -11.894 1.00 50.13 C ATOM 383 C SER A 44 15.421 -13.426 -10.594 1.00 65.24 C ATOM 384 O SER A 44 14.989 -12.454 -9.975 1.00 1.30 O ATOM 385 CB SER A 44 15.841 -14.218 -12.930 1.00 34.20 C ATOM 386 OG SER A 44 15.935 -15.617 -13.133 1.00 42.04 O ATOM 0 H SER A 44 14.113 -11.907 -12.141 1.00 11.45 H new ATOM 0 HA SER A 44 14.178 -14.777 -11.689 1.00 50.13 H new ATOM 0 HB2 SER A 44 15.607 -13.725 -13.874 1.00 34.20 H new ATOM 0 HB3 SER A 44 16.804 -13.830 -12.598 1.00 34.20 H new ATOM 0 HG SER A 44 15.460 -15.861 -13.955 1.00 42.04 H new ATOM 392 N LYS A 45 16.468 -14.136 -10.185 1.00 53.14 N ATOM 393 CA LYS A 45 17.186 -13.805 -8.961 1.00 11.31 C ATOM 394 C LYS A 45 18.689 -13.728 -9.214 1.00 11.12 C ATOM 395 O LYS A 45 19.137 -13.770 -10.360 1.00 34.30 O ATOM 396 CB LYS A 45 16.894 -14.845 -7.877 1.00 12.41 C ATOM 397 CG LYS A 45 15.622 -14.565 -7.094 1.00 1.34 C ATOM 398 CD LYS A 45 15.903 -14.414 -5.609 1.00 24.33 C ATOM 399 CE LYS A 45 15.584 -15.693 -4.848 1.00 1.43 C ATOM 400 NZ LYS A 45 14.918 -15.411 -3.546 1.00 62.51 N ATOM 0 H LYS A 45 16.838 -14.945 -10.685 1.00 53.14 H new ATOM 0 HA LYS A 45 16.842 -12.828 -8.622 1.00 11.31 H new ATOM 0 HB2 LYS A 45 16.817 -15.829 -8.340 1.00 12.41 H new ATOM 0 HB3 LYS A 45 17.736 -14.883 -7.185 1.00 12.41 H new ATOM 0 HG2 LYS A 45 15.154 -13.655 -7.471 1.00 1.34 H new ATOM 0 HG3 LYS A 45 14.912 -15.377 -7.250 1.00 1.34 H new ATOM 0 HD2 LYS A 45 16.951 -14.153 -5.461 1.00 24.33 H new ATOM 0 HD3 LYS A 45 15.310 -13.593 -5.207 1.00 24.33 H new ATOM 0 HE2 LYS A 45 14.939 -16.327 -5.457 1.00 1.43 H new ATOM 0 HE3 LYS A 45 16.504 -16.250 -4.672 1.00 1.43 H new ATOM 0 HZ1 LYS A 45 14.717 -16.307 -3.058 1.00 62.51 H new ATOM 0 HZ2 LYS A 45 15.544 -14.827 -2.955 1.00 62.51 H new ATOM 0 HZ3 LYS A 45 14.027 -14.901 -3.715 1.00 62.51 H new ATOM 414 N SER A 46 19.461 -13.617 -8.138 1.00 2.52 N ATOM 415 CA SER A 46 20.912 -13.533 -8.245 1.00 41.10 C ATOM 416 C SER A 46 21.518 -14.907 -8.517 1.00 11.50 C ATOM 417 O SER A 46 22.274 -15.085 -9.472 1.00 74.32 O ATOM 418 CB SER A 46 21.506 -12.946 -6.962 1.00 21.43 C ATOM 419 OG SER A 46 22.874 -12.619 -7.136 1.00 51.11 O ATOM 0 H SER A 46 19.106 -13.583 -7.182 1.00 2.52 H new ATOM 0 HA SER A 46 21.152 -12.877 -9.082 1.00 41.10 H new ATOM 0 HB2 SER A 46 20.949 -12.054 -6.675 1.00 21.43 H new ATOM 0 HB3 SER A 46 21.401 -13.663 -6.148 1.00 21.43 H new ATOM 0 HG SER A 46 23.229 -12.245 -6.303 1.00 51.11 H new ATOM 425 N TYR A 47 21.181 -15.873 -7.671 1.00 54.42 N ATOM 426 CA TYR A 47 21.692 -17.231 -7.818 1.00 14.51 C ATOM 427 C TYR A 47 20.558 -18.249 -7.753 1.00 20.42 C ATOM 428 O TYR A 47 20.446 -19.009 -6.789 1.00 13.23 O ATOM 429 CB TYR A 47 22.725 -17.530 -6.730 1.00 15.32 C ATOM 430 CG TYR A 47 22.514 -16.735 -5.461 1.00 40.41 C ATOM 431 CD1 TYR A 47 21.438 -16.998 -4.623 1.00 61.51 C ATOM 432 CD2 TYR A 47 23.393 -15.720 -5.100 1.00 14.11 C ATOM 433 CE1 TYR A 47 21.243 -16.274 -3.462 1.00 54.14 C ATOM 434 CE2 TYR A 47 23.206 -14.992 -3.941 1.00 73.12 C ATOM 435 CZ TYR A 47 22.129 -15.273 -3.126 1.00 1.53 C ATOM 436 OH TYR A 47 21.938 -14.549 -1.971 1.00 34.44 O ATOM 0 H TYR A 47 20.556 -15.741 -6.876 1.00 54.42 H new ATOM 0 HA TYR A 47 22.170 -17.309 -8.794 1.00 14.51 H new ATOM 0 HB2 TYR A 47 22.693 -18.593 -6.492 1.00 15.32 H new ATOM 0 HB3 TYR A 47 23.721 -17.320 -7.119 1.00 15.32 H new ATOM 0 HD1 TYR A 47 20.742 -17.782 -4.883 1.00 61.51 H new ATOM 0 HD2 TYR A 47 24.236 -15.497 -5.737 1.00 14.11 H new ATOM 0 HE1 TYR A 47 20.401 -16.491 -2.822 1.00 54.14 H new ATOM 0 HE2 TYR A 47 23.899 -14.208 -3.675 1.00 73.12 H new ATOM 0 HH TYR A 47 22.651 -13.883 -1.881 1.00 34.44 H new ATOM 446 N CYS A 48 19.721 -18.261 -8.783 1.00 43.13 N ATOM 447 CA CYS A 48 18.595 -19.186 -8.845 1.00 4.01 C ATOM 448 C CYS A 48 18.496 -19.831 -10.224 1.00 3.23 C ATOM 449 O CYS A 48 18.130 -19.192 -11.210 1.00 41.24 O ATOM 450 CB CYS A 48 17.291 -18.458 -8.514 1.00 4.24 C ATOM 451 SG CYS A 48 17.100 -18.046 -6.764 1.00 20.34 S ATOM 0 H CYS A 48 19.800 -17.640 -9.588 1.00 43.13 H new ATOM 0 HA CYS A 48 18.761 -19.972 -8.108 1.00 4.01 H new ATOM 0 HB2 CYS A 48 17.241 -17.540 -9.100 1.00 4.24 H new ATOM 0 HB3 CYS A 48 16.451 -19.080 -8.824 1.00 4.24 H new ATOM 0 HG CYS A 48 18.226 -18.245 -6.146 1.00 20.34 H new ATOM 457 N PRO A 49 18.831 -21.128 -10.296 1.00 42.10 N ATOM 458 CA PRO A 49 18.788 -21.887 -11.549 1.00 20.21 C ATOM 459 C PRO A 49 17.363 -22.128 -12.033 1.00 50.14 C ATOM 460 O PRO A 49 16.400 -21.893 -11.302 1.00 44.21 O ATOM 461 CB PRO A 49 19.460 -23.214 -11.183 1.00 12.14 C ATOM 462 CG PRO A 49 19.251 -23.350 -9.714 1.00 30.02 C ATOM 463 CD PRO A 49 19.276 -21.952 -9.161 1.00 11.13 C ATOM 0 HA PRO A 49 19.278 -21.355 -12.364 1.00 20.21 H new ATOM 0 HB2 PRO A 49 19.013 -24.047 -11.726 1.00 12.14 H new ATOM 0 HB3 PRO A 49 20.521 -23.203 -11.433 1.00 12.14 H new ATOM 0 HG2 PRO A 49 18.300 -23.838 -9.499 1.00 30.02 H new ATOM 0 HG3 PRO A 49 20.033 -23.962 -9.264 1.00 30.02 H new ATOM 0 HD2 PRO A 49 18.611 -21.847 -8.303 1.00 11.13 H new ATOM 0 HD3 PRO A 49 20.274 -21.670 -8.827 1.00 11.13 H new ATOM 471 N HIS A 50 17.234 -22.598 -13.270 1.00 11.52 N ATOM 472 CA HIS A 50 15.925 -22.871 -13.852 1.00 12.51 C ATOM 473 C HIS A 50 15.238 -21.576 -14.276 1.00 54.43 C ATOM 474 O HIS A 50 14.781 -21.447 -15.412 1.00 73.14 O ATOM 475 CB HIS A 50 15.046 -23.624 -12.853 1.00 2.45 C ATOM 476 CG HIS A 50 15.772 -24.704 -12.111 1.00 44.44 C ATOM 477 ND1 HIS A 50 16.236 -24.747 -10.840 1.00 33.54 N flip ATOM 478 CD2 HIS A 50 16.102 -25.915 -12.680 1.00 11.12 C flip ATOM 479 CE1 HIS A 50 16.828 -25.973 -10.665 1.00 42.21 C flip ATOM 480 NE2 HIS A 50 16.734 -26.660 -11.789 1.00 44.12 N flip ATOM 0 H HIS A 50 18.020 -22.798 -13.888 1.00 11.52 H new ATOM 0 HA HIS A 50 16.071 -23.491 -14.736 1.00 12.51 H new ATOM 0 HB2 HIS A 50 14.636 -22.914 -12.135 1.00 2.45 H new ATOM 0 HB3 HIS A 50 14.202 -24.064 -13.384 1.00 2.45 H new ATOM 0 HD2 HIS A 50 15.879 -26.209 -13.695 1.00 11.12 H new ATOM 0 HE1 HIS A 50 17.295 -26.320 -9.755 1.00 42.21 H new ATOM 0 HE2 HIS A 50 17.088 -27.604 -11.943 1.00 44.12 H new ATOM 488 N SER A 51 15.169 -20.619 -13.356 1.00 33.03 N ATOM 489 CA SER A 51 14.533 -19.336 -13.634 1.00 24.41 C ATOM 490 C SER A 51 15.408 -18.483 -14.546 1.00 5.51 C ATOM 491 O SER A 51 14.913 -17.633 -15.286 1.00 53.24 O ATOM 492 CB SER A 51 14.255 -18.588 -12.328 1.00 72.25 C ATOM 493 OG SER A 51 14.766 -19.299 -11.214 1.00 44.24 O ATOM 0 H SER A 51 15.545 -20.708 -12.412 1.00 33.03 H new ATOM 0 HA SER A 51 13.588 -19.528 -14.143 1.00 24.41 H new ATOM 0 HB2 SER A 51 14.707 -17.597 -12.369 1.00 72.25 H new ATOM 0 HB3 SER A 51 13.181 -18.443 -12.210 1.00 72.25 H new ATOM 0 HG SER A 51 14.871 -18.687 -10.456 1.00 44.24 H new ATOM 499 N THR A 52 16.717 -18.714 -14.486 1.00 1.30 N ATOM 500 CA THR A 52 17.663 -17.967 -15.305 1.00 31.01 C ATOM 501 C THR A 52 17.800 -18.586 -16.691 1.00 62.30 C ATOM 502 O THR A 52 17.953 -17.878 -17.685 1.00 40.23 O ATOM 503 CB THR A 52 19.053 -17.906 -14.643 1.00 14.43 C ATOM 504 OG1 THR A 52 19.011 -17.049 -13.495 1.00 43.14 O ATOM 505 CG2 THR A 52 20.097 -17.398 -15.624 1.00 43.40 C ATOM 0 H THR A 52 17.145 -19.413 -13.878 1.00 1.30 H new ATOM 0 HA THR A 52 17.268 -16.955 -15.400 1.00 31.01 H new ATOM 0 HB THR A 52 19.329 -18.914 -14.334 1.00 14.43 H new ATOM 0 HG1 THR A 52 18.735 -17.567 -12.710 1.00 43.14 H new ATOM 0 HG21 THR A 52 21.070 -17.363 -15.134 1.00 43.40 H new ATOM 0 HG22 THR A 52 20.146 -18.068 -16.482 1.00 43.40 H new ATOM 0 HG23 THR A 52 19.824 -16.398 -15.960 1.00 43.40 H new ATOM 513 N ARG A 53 17.744 -19.913 -16.749 1.00 63.12 N ATOM 514 CA ARG A 53 17.863 -20.628 -18.014 1.00 51.34 C ATOM 515 C ARG A 53 16.753 -20.216 -18.977 1.00 50.02 C ATOM 516 O ARG A 53 16.997 -19.991 -20.162 1.00 41.34 O ATOM 517 CB ARG A 53 17.814 -22.138 -17.778 1.00 35.45 C ATOM 518 CG ARG A 53 16.906 -22.877 -18.748 1.00 62.22 C ATOM 519 CD ARG A 53 17.054 -24.385 -18.611 1.00 42.32 C ATOM 520 NE ARG A 53 17.067 -24.808 -17.215 1.00 32.35 N ATOM 521 CZ ARG A 53 18.180 -24.997 -16.513 1.00 73.21 C ATOM 522 NH1 ARG A 53 19.363 -24.800 -17.077 1.00 24.04 N ATOM 523 NH2 ARG A 53 18.109 -25.384 -15.246 1.00 10.41 N ATOM 0 H ARG A 53 17.617 -20.514 -15.935 1.00 63.12 H new ATOM 0 HA ARG A 53 18.823 -20.369 -18.460 1.00 51.34 H new ATOM 0 HB2 ARG A 53 18.823 -22.543 -17.858 1.00 35.45 H new ATOM 0 HB3 ARG A 53 17.474 -22.327 -16.760 1.00 35.45 H new ATOM 0 HG2 ARG A 53 15.869 -22.594 -18.565 1.00 62.22 H new ATOM 0 HG3 ARG A 53 17.143 -22.578 -19.769 1.00 62.22 H new ATOM 0 HD2 ARG A 53 16.234 -24.879 -19.132 1.00 42.32 H new ATOM 0 HD3 ARG A 53 17.977 -24.704 -19.095 1.00 42.32 H new ATOM 0 HE ARG A 53 16.172 -24.968 -16.752 1.00 32.35 H new ATOM 0 HH11 ARG A 53 19.420 -24.503 -18.051 1.00 24.04 H new ATOM 0 HH12 ARG A 53 20.216 -24.945 -16.537 1.00 24.04 H new ATOM 0 HH21 ARG A 53 17.200 -25.537 -14.810 1.00 10.41 H new ATOM 0 HH22 ARG A 53 18.964 -25.529 -14.708 1.00 10.41 H new ATOM 537 N VAL A 54 15.532 -20.120 -18.460 1.00 23.53 N ATOM 538 CA VAL A 54 14.385 -19.736 -19.273 1.00 2.32 C ATOM 539 C VAL A 54 14.671 -18.461 -20.058 1.00 54.42 C ATOM 540 O VAL A 54 14.058 -18.207 -21.096 1.00 11.44 O ATOM 541 CB VAL A 54 13.129 -19.521 -18.407 1.00 24.31 C ATOM 542 CG1 VAL A 54 13.187 -18.172 -17.708 1.00 3.22 C ATOM 543 CG2 VAL A 54 11.872 -19.639 -19.253 1.00 63.43 C ATOM 0 H VAL A 54 15.312 -20.303 -17.481 1.00 23.53 H new ATOM 0 HA VAL A 54 14.202 -20.555 -19.968 1.00 2.32 H new ATOM 0 HB VAL A 54 13.099 -20.298 -17.643 1.00 24.31 H new ATOM 0 HG11 VAL A 54 12.292 -18.038 -17.101 1.00 3.22 H new ATOM 0 HG12 VAL A 54 14.069 -18.131 -17.068 1.00 3.22 H new ATOM 0 HG13 VAL A 54 13.243 -17.378 -18.453 1.00 3.22 H new ATOM 0 HG21 VAL A 54 10.995 -19.484 -18.625 1.00 63.43 H new ATOM 0 HG22 VAL A 54 11.892 -18.886 -20.041 1.00 63.43 H new ATOM 0 HG23 VAL A 54 11.827 -20.632 -19.701 1.00 63.43 H new ATOM 553 N LYS A 55 15.607 -17.661 -19.557 1.00 33.21 N ATOM 554 CA LYS A 55 15.977 -16.412 -20.212 1.00 71.41 C ATOM 555 C LYS A 55 16.697 -16.681 -21.530 1.00 25.04 C ATOM 556 O LYS A 55 16.470 -15.991 -22.522 1.00 40.24 O ATOM 557 CB LYS A 55 16.869 -15.576 -19.292 1.00 51.31 C ATOM 558 CG LYS A 55 16.354 -15.480 -17.866 1.00 55.22 C ATOM 559 CD LYS A 55 17.363 -14.806 -16.952 1.00 75.01 C ATOM 560 CE LYS A 55 17.658 -13.383 -17.401 1.00 51.22 C ATOM 561 NZ LYS A 55 19.104 -13.181 -17.691 1.00 21.53 N ATOM 0 H LYS A 55 16.123 -17.856 -18.699 1.00 33.21 H new ATOM 0 HA LYS A 55 15.063 -15.857 -20.425 1.00 71.41 H new ATOM 0 HB2 LYS A 55 17.870 -16.008 -19.279 1.00 51.31 H new ATOM 0 HB3 LYS A 55 16.961 -14.571 -19.704 1.00 51.31 H new ATOM 0 HG2 LYS A 55 15.419 -14.920 -17.853 1.00 55.22 H new ATOM 0 HG3 LYS A 55 16.132 -16.479 -17.490 1.00 55.22 H new ATOM 0 HD2 LYS A 55 16.980 -14.795 -15.931 1.00 75.01 H new ATOM 0 HD3 LYS A 55 18.287 -15.384 -16.940 1.00 75.01 H new ATOM 0 HE2 LYS A 55 17.074 -13.155 -18.292 1.00 51.22 H new ATOM 0 HE3 LYS A 55 17.342 -12.685 -16.626 1.00 51.22 H new ATOM 0 HZ1 LYS A 55 19.494 -12.475 -17.035 1.00 21.53 H new ATOM 0 HZ2 LYS A 55 19.611 -14.081 -17.573 1.00 21.53 H new ATOM 0 HZ3 LYS A 55 19.218 -12.845 -18.669 1.00 21.53 H new ATOM 575 N GLU A 56 17.565 -17.688 -21.529 1.00 1.10 N ATOM 576 CA GLU A 56 18.317 -18.048 -22.725 1.00 44.43 C ATOM 577 C GLU A 56 17.377 -18.415 -23.870 1.00 53.23 C ATOM 578 O GLU A 56 17.642 -18.100 -25.031 1.00 53.24 O ATOM 579 CB GLU A 56 19.260 -19.216 -22.431 1.00 63.41 C ATOM 580 CG GLU A 56 20.713 -18.928 -22.771 1.00 50.34 C ATOM 581 CD GLU A 56 21.442 -20.147 -23.299 1.00 73.53 C ATOM 582 OE1 GLU A 56 21.495 -21.165 -22.577 1.00 32.12 O ATOM 583 OE2 GLU A 56 21.958 -20.085 -24.435 1.00 31.43 O ATOM 0 H GLU A 56 17.765 -18.268 -20.714 1.00 1.10 H new ATOM 0 HA GLU A 56 18.907 -17.182 -23.025 1.00 44.43 H new ATOM 0 HB2 GLU A 56 19.187 -19.473 -21.374 1.00 63.41 H new ATOM 0 HB3 GLU A 56 18.930 -20.089 -22.995 1.00 63.41 H new ATOM 0 HG2 GLU A 56 20.757 -18.133 -23.515 1.00 50.34 H new ATOM 0 HG3 GLU A 56 21.224 -18.561 -21.881 1.00 50.34 H new ATOM 590 N LEU A 57 16.279 -19.081 -23.534 1.00 30.42 N ATOM 591 CA LEU A 57 15.298 -19.493 -24.533 1.00 44.02 C ATOM 592 C LEU A 57 14.935 -18.330 -25.450 1.00 33.10 C ATOM 593 O LEU A 57 14.990 -18.451 -26.675 1.00 13.43 O ATOM 594 CB LEU A 57 14.039 -20.031 -23.849 1.00 3.12 C ATOM 595 CG LEU A 57 13.916 -21.553 -23.771 1.00 44.43 C ATOM 596 CD1 LEU A 57 15.156 -22.157 -23.130 1.00 54.01 C ATOM 597 CD2 LEU A 57 12.667 -21.948 -22.998 1.00 51.21 C ATOM 0 H LEU A 57 16.045 -19.348 -22.578 1.00 30.42 H new ATOM 0 HA LEU A 57 15.741 -20.284 -25.138 1.00 44.02 H new ATOM 0 HB2 LEU A 57 14.001 -19.631 -22.836 1.00 3.12 H new ATOM 0 HB3 LEU A 57 13.168 -19.643 -24.378 1.00 3.12 H new ATOM 0 HG LEU A 57 13.830 -21.944 -24.785 1.00 44.43 H new ATOM 0 HD11 LEU A 57 15.050 -23.241 -23.083 1.00 54.01 H new ATOM 0 HD12 LEU A 57 16.033 -21.904 -23.725 1.00 54.01 H new ATOM 0 HD13 LEU A 57 15.274 -21.760 -22.122 1.00 54.01 H new ATOM 0 HD21 LEU A 57 12.596 -23.035 -22.953 1.00 51.21 H new ATOM 0 HD22 LEU A 57 12.723 -21.545 -21.987 1.00 51.21 H new ATOM 0 HD23 LEU A 57 11.786 -21.547 -23.500 1.00 51.21 H new ATOM 609 N PHE A 58 14.565 -17.203 -24.850 1.00 61.05 N ATOM 610 CA PHE A 58 14.194 -16.017 -25.614 1.00 34.22 C ATOM 611 C PHE A 58 15.384 -15.485 -26.405 1.00 0.40 C ATOM 612 O PHE A 58 15.254 -15.118 -27.573 1.00 14.43 O ATOM 613 CB PHE A 58 13.660 -14.929 -24.679 1.00 70.11 C ATOM 614 CG PHE A 58 12.300 -15.235 -24.118 1.00 62.22 C ATOM 615 CD1 PHE A 58 12.141 -16.202 -23.139 1.00 24.42 C ATOM 616 CD2 PHE A 58 11.181 -14.554 -24.569 1.00 60.13 C ATOM 617 CE1 PHE A 58 10.891 -16.486 -22.622 1.00 42.01 C ATOM 618 CE2 PHE A 58 9.928 -14.833 -24.056 1.00 62.10 C ATOM 619 CZ PHE A 58 9.783 -15.799 -23.080 1.00 25.22 C ATOM 0 H PHE A 58 14.514 -17.086 -23.838 1.00 61.05 H new ATOM 0 HA PHE A 58 13.410 -16.299 -26.317 1.00 34.22 H new ATOM 0 HB2 PHE A 58 14.361 -14.792 -23.856 1.00 70.11 H new ATOM 0 HB3 PHE A 58 13.616 -13.984 -25.221 1.00 70.11 H new ATOM 0 HD1 PHE A 58 13.004 -16.740 -22.775 1.00 24.42 H new ATOM 0 HD2 PHE A 58 11.289 -13.796 -25.331 1.00 60.13 H new ATOM 0 HE1 PHE A 58 10.780 -17.244 -21.861 1.00 42.01 H new ATOM 0 HE2 PHE A 58 9.064 -14.296 -24.418 1.00 62.10 H new ATOM 0 HZ PHE A 58 8.806 -16.017 -22.675 1.00 25.22 H new ATOM 629 N SER A 59 16.546 -15.444 -25.758 1.00 54.23 N ATOM 630 CA SER A 59 17.759 -14.952 -26.399 1.00 4.11 C ATOM 631 C SER A 59 18.021 -15.690 -27.708 1.00 51.34 C ATOM 632 O SER A 59 18.303 -15.073 -28.736 1.00 25.53 O ATOM 633 CB SER A 59 18.957 -15.113 -25.462 1.00 65.21 C ATOM 634 OG SER A 59 20.072 -14.372 -25.927 1.00 1.15 O ATOM 0 H SER A 59 16.672 -15.745 -24.792 1.00 54.23 H new ATOM 0 HA SER A 59 17.619 -13.894 -26.621 1.00 4.11 H new ATOM 0 HB2 SER A 59 18.687 -14.779 -24.460 1.00 65.21 H new ATOM 0 HB3 SER A 59 19.223 -16.167 -25.385 1.00 65.21 H new ATOM 0 HG SER A 59 20.824 -14.490 -25.310 1.00 1.15 H new ATOM 640 N SER A 60 17.924 -17.015 -27.663 1.00 34.05 N ATOM 641 CA SER A 60 18.153 -17.840 -28.844 1.00 11.23 C ATOM 642 C SER A 60 16.955 -17.783 -29.786 1.00 3.04 C ATOM 643 O SER A 60 16.978 -18.362 -30.874 1.00 15.35 O ATOM 644 CB SER A 60 18.427 -19.288 -28.434 1.00 2.21 C ATOM 645 OG SER A 60 18.916 -20.043 -29.529 1.00 61.01 O ATOM 0 H SER A 60 17.688 -17.540 -26.821 1.00 34.05 H new ATOM 0 HA SER A 60 19.024 -17.448 -29.369 1.00 11.23 H new ATOM 0 HB2 SER A 60 19.153 -19.308 -27.621 1.00 2.21 H new ATOM 0 HB3 SER A 60 17.511 -19.742 -28.055 1.00 2.21 H new ATOM 0 HG SER A 60 18.414 -19.809 -30.338 1.00 61.01 H new ATOM 651 N LEU A 61 15.909 -17.083 -29.362 1.00 53.40 N ATOM 652 CA LEU A 61 14.700 -16.950 -30.167 1.00 50.15 C ATOM 653 C LEU A 61 14.694 -15.626 -30.926 1.00 2.03 C ATOM 654 O LEU A 61 13.686 -15.242 -31.516 1.00 54.02 O ATOM 655 CB LEU A 61 13.459 -17.047 -29.278 1.00 54.03 C ATOM 656 CG LEU A 61 12.309 -17.895 -29.823 1.00 34.11 C ATOM 657 CD1 LEU A 61 12.070 -17.591 -31.294 1.00 44.31 C ATOM 658 CD2 LEU A 61 12.596 -19.375 -29.622 1.00 70.34 C ATOM 0 H LEU A 61 15.874 -16.599 -28.465 1.00 53.40 H new ATOM 0 HA LEU A 61 14.684 -17.763 -30.892 1.00 50.15 H new ATOM 0 HB2 LEU A 61 13.759 -17.455 -28.313 1.00 54.03 H new ATOM 0 HB3 LEU A 61 13.087 -16.039 -29.097 1.00 54.03 H new ATOM 0 HG LEU A 61 11.404 -17.642 -29.270 1.00 34.11 H new ATOM 0 HD11 LEU A 61 11.248 -18.204 -31.663 1.00 44.31 H new ATOM 0 HD12 LEU A 61 11.818 -16.537 -31.411 1.00 44.31 H new ATOM 0 HD13 LEU A 61 12.973 -17.813 -31.863 1.00 44.31 H new ATOM 0 HD21 LEU A 61 11.767 -19.963 -30.016 1.00 70.34 H new ATOM 0 HD22 LEU A 61 13.513 -19.643 -30.148 1.00 70.34 H new ATOM 0 HD23 LEU A 61 12.714 -19.581 -28.558 1.00 70.34 H new ATOM 670 N GLY A 62 15.829 -14.934 -30.908 1.00 14.13 N ATOM 671 CA GLY A 62 15.933 -13.662 -31.599 1.00 64.00 C ATOM 672 C GLY A 62 15.004 -12.612 -31.024 1.00 41.14 C ATOM 673 O GLY A 62 14.798 -11.559 -31.627 1.00 32.01 O ATOM 0 H GLY A 62 16.678 -15.231 -30.427 1.00 14.13 H new ATOM 0 HA2 GLY A 62 16.961 -13.304 -31.541 1.00 64.00 H new ATOM 0 HA3 GLY A 62 15.704 -13.806 -32.655 1.00 64.00 H new ATOM 677 N VAL A 63 14.441 -12.899 -29.855 1.00 1.33 N ATOM 678 CA VAL A 63 13.528 -11.970 -29.198 1.00 61.13 C ATOM 679 C VAL A 63 14.148 -11.394 -27.931 1.00 12.42 C ATOM 680 O VAL A 63 14.345 -12.103 -26.944 1.00 63.11 O ATOM 681 CB VAL A 63 12.195 -12.654 -28.839 1.00 72.01 C ATOM 682 CG1 VAL A 63 11.288 -11.692 -28.086 1.00 71.41 C ATOM 683 CG2 VAL A 63 11.509 -13.175 -30.093 1.00 65.34 C ATOM 0 H VAL A 63 14.601 -13.767 -29.343 1.00 1.33 H new ATOM 0 HA VAL A 63 13.335 -11.162 -29.904 1.00 61.13 H new ATOM 0 HB VAL A 63 12.405 -13.503 -28.188 1.00 72.01 H new ATOM 0 HG11 VAL A 63 10.351 -12.192 -27.841 1.00 71.41 H new ATOM 0 HG12 VAL A 63 11.780 -11.372 -27.168 1.00 71.41 H new ATOM 0 HG13 VAL A 63 11.082 -10.822 -28.710 1.00 71.41 H new ATOM 0 HG21 VAL A 63 10.569 -13.655 -29.821 1.00 65.34 H new ATOM 0 HG22 VAL A 63 11.309 -12.345 -30.770 1.00 65.34 H new ATOM 0 HG23 VAL A 63 12.156 -13.899 -30.588 1.00 65.34 H new ATOM 693 N VAL A 64 14.454 -10.100 -27.964 1.00 1.24 N ATOM 694 CA VAL A 64 15.050 -9.426 -26.817 1.00 25.51 C ATOM 695 C VAL A 64 14.073 -9.360 -25.649 1.00 13.32 C ATOM 696 O VAL A 64 12.857 -9.365 -25.841 1.00 52.55 O ATOM 697 CB VAL A 64 15.500 -7.998 -27.176 1.00 64.11 C ATOM 698 CG1 VAL A 64 16.322 -7.395 -26.046 1.00 74.51 C ATOM 699 CG2 VAL A 64 16.290 -8.000 -28.477 1.00 21.14 C ATOM 0 H VAL A 64 14.299 -9.498 -28.773 1.00 1.24 H new ATOM 0 HA VAL A 64 15.922 -10.011 -26.525 1.00 25.51 H new ATOM 0 HB VAL A 64 14.612 -7.381 -27.316 1.00 64.11 H new ATOM 0 HG11 VAL A 64 16.631 -6.386 -26.319 1.00 74.51 H new ATOM 0 HG12 VAL A 64 15.720 -7.357 -25.138 1.00 74.51 H new ATOM 0 HG13 VAL A 64 17.205 -8.009 -25.870 1.00 74.51 H new ATOM 0 HG21 VAL A 64 16.600 -6.983 -28.716 1.00 21.14 H new ATOM 0 HG22 VAL A 64 17.171 -8.632 -28.367 1.00 21.14 H new ATOM 0 HG23 VAL A 64 15.665 -8.387 -29.282 1.00 21.14 H new ATOM 709 N TYR A 65 14.611 -9.297 -24.436 1.00 23.32 N ATOM 710 CA TYR A 65 13.787 -9.233 -23.235 1.00 43.43 C ATOM 711 C TYR A 65 14.488 -8.441 -22.135 1.00 22.23 C ATOM 712 O TYR A 65 15.686 -8.174 -22.215 1.00 3.21 O ATOM 713 CB TYR A 65 13.461 -10.641 -22.738 1.00 32.22 C ATOM 714 CG TYR A 65 14.685 -11.483 -22.460 1.00 21.44 C ATOM 715 CD1 TYR A 65 15.392 -11.346 -21.272 1.00 5.52 C ATOM 716 CD2 TYR A 65 15.136 -12.416 -23.386 1.00 31.34 C ATOM 717 CE1 TYR A 65 16.513 -12.113 -21.014 1.00 13.21 C ATOM 718 CE2 TYR A 65 16.253 -13.189 -23.136 1.00 2.14 C ATOM 719 CZ TYR A 65 16.938 -13.033 -21.948 1.00 63.41 C ATOM 720 OH TYR A 65 18.054 -13.800 -21.696 1.00 35.01 O ATOM 0 H TYR A 65 15.615 -9.289 -24.259 1.00 23.32 H new ATOM 0 HA TYR A 65 12.858 -8.722 -23.489 1.00 43.43 H new ATOM 0 HB2 TYR A 65 12.867 -10.567 -21.827 1.00 32.22 H new ATOM 0 HB3 TYR A 65 12.844 -11.146 -23.481 1.00 32.22 H new ATOM 0 HD1 TYR A 65 15.060 -10.628 -20.537 1.00 5.52 H new ATOM 0 HD2 TYR A 65 14.604 -12.539 -24.318 1.00 31.34 H new ATOM 0 HE1 TYR A 65 17.052 -11.992 -20.086 1.00 13.21 H new ATOM 0 HE2 TYR A 65 16.588 -13.911 -23.866 1.00 2.14 H new ATOM 0 HH TYR A 65 18.059 -14.577 -22.294 1.00 35.01 H new ATOM 730 N ASN A 66 13.732 -8.071 -21.107 1.00 24.52 N ATOM 731 CA ASN A 66 14.280 -7.311 -19.989 1.00 74.55 C ATOM 732 C ASN A 66 14.765 -8.244 -18.884 1.00 31.11 C ATOM 733 O ASN A 66 14.048 -9.153 -18.465 1.00 32.53 O ATOM 734 CB ASN A 66 13.227 -6.349 -19.435 1.00 23.40 C ATOM 735 CG ASN A 66 13.829 -5.034 -18.979 1.00 63.21 C ATOM 736 OD1 ASN A 66 14.919 -5.003 -18.407 1.00 62.12 O ATOM 737 ND2 ASN A 66 13.119 -3.940 -19.230 1.00 3.10 N ATOM 0 H ASN A 66 12.738 -8.285 -21.025 1.00 24.52 H new ATOM 0 HA ASN A 66 15.131 -6.736 -20.354 1.00 74.55 H new ATOM 0 HB2 ASN A 66 12.476 -6.156 -20.201 1.00 23.40 H new ATOM 0 HB3 ASN A 66 12.713 -6.820 -18.597 1.00 23.40 H new ATOM 0 HD21 ASN A 66 13.472 -3.026 -18.946 1.00 3.10 H new ATOM 0 HD22 ASN A 66 12.220 -4.013 -19.707 1.00 3.10 H new ATOM 744 N ILE A 67 15.987 -8.011 -18.415 1.00 73.41 N ATOM 745 CA ILE A 67 16.567 -8.830 -17.357 1.00 15.22 C ATOM 746 C ILE A 67 16.489 -8.121 -16.009 1.00 11.52 C ATOM 747 O ILE A 67 17.152 -7.106 -15.790 1.00 3.25 O ATOM 748 CB ILE A 67 18.036 -9.179 -17.657 1.00 44.24 C ATOM 749 CG1 ILE A 67 18.150 -9.875 -19.014 1.00 22.40 C ATOM 750 CG2 ILE A 67 18.607 -10.058 -16.555 1.00 4.43 C ATOM 751 CD1 ILE A 67 18.883 -9.056 -20.054 1.00 61.31 C ATOM 0 H ILE A 67 16.594 -7.263 -18.751 1.00 73.41 H new ATOM 0 HA ILE A 67 15.985 -9.751 -17.315 1.00 15.22 H new ATOM 0 HB ILE A 67 18.614 -8.255 -17.694 1.00 44.24 H new ATOM 0 HG12 ILE A 67 18.666 -10.826 -18.883 1.00 22.40 H new ATOM 0 HG13 ILE A 67 17.149 -10.103 -19.382 1.00 22.40 H new ATOM 0 HG21 ILE A 67 19.646 -10.296 -16.781 1.00 4.43 H new ATOM 0 HG22 ILE A 67 18.555 -9.529 -15.604 1.00 4.43 H new ATOM 0 HG23 ILE A 67 18.029 -10.980 -16.489 1.00 4.43 H new ATOM 0 HD11 ILE A 67 18.926 -9.612 -20.991 1.00 61.31 H new ATOM 0 HD12 ILE A 67 18.356 -8.115 -20.214 1.00 61.31 H new ATOM 0 HD13 ILE A 67 19.896 -8.850 -19.708 1.00 61.31 H new ATOM 763 N LEU A 68 15.676 -8.661 -15.108 1.00 23.03 N ATOM 764 CA LEU A 68 15.514 -8.082 -13.779 1.00 54.20 C ATOM 765 C LEU A 68 15.621 -9.154 -12.700 1.00 44.41 C ATOM 766 O LEU A 68 15.014 -10.218 -12.808 1.00 61.44 O ATOM 767 CB LEU A 68 14.163 -7.370 -13.674 1.00 24.13 C ATOM 768 CG LEU A 68 13.765 -6.504 -14.870 1.00 63.33 C ATOM 769 CD1 LEU A 68 12.444 -5.801 -14.604 1.00 74.52 C ATOM 770 CD2 LEU A 68 14.858 -5.492 -15.182 1.00 54.13 C ATOM 0 H LEU A 68 15.119 -9.499 -15.273 1.00 23.03 H new ATOM 0 HA LEU A 68 16.314 -7.358 -13.625 1.00 54.20 H new ATOM 0 HB2 LEU A 68 13.389 -8.123 -13.523 1.00 24.13 H new ATOM 0 HB3 LEU A 68 14.175 -6.741 -12.784 1.00 24.13 H new ATOM 0 HG LEU A 68 13.639 -7.152 -15.738 1.00 63.33 H new ATOM 0 HD11 LEU A 68 12.177 -5.190 -15.466 1.00 74.52 H new ATOM 0 HD12 LEU A 68 11.665 -6.544 -14.431 1.00 74.52 H new ATOM 0 HD13 LEU A 68 12.541 -5.165 -13.724 1.00 74.52 H new ATOM 0 HD21 LEU A 68 14.558 -4.884 -16.036 1.00 54.13 H new ATOM 0 HD22 LEU A 68 15.016 -4.849 -14.316 1.00 54.13 H new ATOM 0 HD23 LEU A 68 15.784 -6.017 -15.418 1.00 54.13 H new ATOM 782 N GLU A 69 16.397 -8.864 -11.660 1.00 61.41 N ATOM 783 CA GLU A 69 16.582 -9.804 -10.561 1.00 31.13 C ATOM 784 C GLU A 69 15.946 -9.275 -9.279 1.00 41.32 C ATOM 785 O GLU A 69 16.423 -8.304 -8.690 1.00 74.32 O ATOM 786 CB GLU A 69 18.072 -10.068 -10.332 1.00 73.54 C ATOM 787 CG GLU A 69 18.852 -10.308 -11.614 1.00 50.54 C ATOM 788 CD GLU A 69 20.324 -10.568 -11.362 1.00 64.03 C ATOM 789 OE1 GLU A 69 20.961 -9.747 -10.670 1.00 25.31 O ATOM 790 OE2 GLU A 69 20.838 -11.592 -11.858 1.00 23.44 O ATOM 0 H GLU A 69 16.907 -7.987 -11.556 1.00 61.41 H new ATOM 0 HA GLU A 69 16.091 -10.739 -10.831 1.00 31.13 H new ATOM 0 HB2 GLU A 69 18.506 -9.218 -9.806 1.00 73.54 H new ATOM 0 HB3 GLU A 69 18.183 -10.936 -9.681 1.00 73.54 H new ATOM 0 HG2 GLU A 69 18.422 -11.159 -12.142 1.00 50.54 H new ATOM 0 HG3 GLU A 69 18.747 -9.441 -12.266 1.00 50.54 H new ATOM 797 N LEU A 70 14.865 -9.919 -8.853 1.00 75.32 N ATOM 798 CA LEU A 70 14.162 -9.514 -7.641 1.00 35.50 C ATOM 799 C LEU A 70 15.054 -9.672 -6.414 1.00 32.42 C ATOM 800 O LEU A 70 14.762 -9.131 -5.348 1.00 73.10 O ATOM 801 CB LEU A 70 12.886 -10.342 -7.468 1.00 13.22 C ATOM 802 CG LEU A 70 13.011 -11.837 -7.760 1.00 53.15 C ATOM 803 CD1 LEU A 70 12.549 -12.655 -6.565 1.00 33.21 C ATOM 804 CD2 LEU A 70 12.213 -12.206 -9.002 1.00 75.22 C ATOM 0 H LEU A 70 14.456 -10.723 -9.329 1.00 75.32 H new ATOM 0 HA LEU A 70 13.896 -8.462 -7.740 1.00 35.50 H new ATOM 0 HB2 LEU A 70 12.534 -10.221 -6.443 1.00 13.22 H new ATOM 0 HB3 LEU A 70 12.117 -9.928 -8.120 1.00 13.22 H new ATOM 0 HG LEU A 70 14.061 -12.065 -7.946 1.00 53.15 H new ATOM 0 HD11 LEU A 70 12.645 -13.717 -6.792 1.00 33.21 H new ATOM 0 HD12 LEU A 70 13.163 -12.412 -5.698 1.00 33.21 H new ATOM 0 HD13 LEU A 70 11.506 -12.424 -6.347 1.00 33.21 H new ATOM 0 HD21 LEU A 70 12.313 -13.274 -9.195 1.00 75.22 H new ATOM 0 HD22 LEU A 70 11.162 -11.963 -8.845 1.00 75.22 H new ATOM 0 HD23 LEU A 70 12.591 -11.646 -9.857 1.00 75.22 H new ATOM 816 N ASP A 71 16.144 -10.415 -6.574 1.00 11.15 N ATOM 817 CA ASP A 71 17.081 -10.641 -5.480 1.00 64.32 C ATOM 818 C ASP A 71 17.883 -9.379 -5.181 1.00 54.13 C ATOM 819 O ASP A 71 18.392 -9.203 -4.075 1.00 22.34 O ATOM 820 CB ASP A 71 18.029 -11.792 -5.822 1.00 75.25 C ATOM 821 CG ASP A 71 18.559 -12.493 -4.587 1.00 52.12 C ATOM 822 OD1 ASP A 71 18.088 -12.172 -3.476 1.00 63.14 O ATOM 823 OD2 ASP A 71 19.445 -13.362 -4.732 1.00 33.33 O ATOM 0 H ASP A 71 16.400 -10.870 -7.450 1.00 11.15 H new ATOM 0 HA ASP A 71 16.507 -10.904 -4.592 1.00 64.32 H new ATOM 0 HB2 ASP A 71 17.507 -12.514 -6.450 1.00 75.25 H new ATOM 0 HB3 ASP A 71 18.866 -11.408 -6.405 1.00 75.25 H new ATOM 828 N GLN A 72 17.989 -8.502 -6.175 1.00 33.43 N ATOM 829 CA GLN A 72 18.729 -7.256 -6.017 1.00 44.42 C ATOM 830 C GLN A 72 17.780 -6.069 -5.903 1.00 13.20 C ATOM 831 O GLN A 72 18.213 -4.922 -5.789 1.00 71.13 O ATOM 832 CB GLN A 72 19.681 -7.051 -7.198 1.00 35.42 C ATOM 833 CG GLN A 72 20.962 -7.863 -7.095 1.00 0.01 C ATOM 834 CD GLN A 72 21.688 -7.643 -5.782 1.00 24.42 C ATOM 835 OE1 GLN A 72 21.876 -6.508 -5.346 1.00 20.43 O ATOM 836 NE2 GLN A 72 22.101 -8.733 -5.145 1.00 32.23 N ATOM 0 H GLN A 72 17.572 -8.632 -7.097 1.00 33.43 H new ATOM 0 HA GLN A 72 19.310 -7.322 -5.097 1.00 44.42 H new ATOM 0 HB2 GLN A 72 19.165 -7.317 -8.120 1.00 35.42 H new ATOM 0 HB3 GLN A 72 19.936 -5.994 -7.269 1.00 35.42 H new ATOM 0 HG2 GLN A 72 20.726 -8.922 -7.203 1.00 0.01 H new ATOM 0 HG3 GLN A 72 21.623 -7.598 -7.920 1.00 0.01 H new ATOM 0 HE21 GLN A 72 21.923 -9.655 -5.544 1.00 32.23 H new ATOM 0 HE22 GLN A 72 22.596 -8.648 -4.257 1.00 32.23 H new ATOM 845 N VAL A 73 16.481 -6.351 -5.934 1.00 13.41 N ATOM 846 CA VAL A 73 15.469 -5.306 -5.833 1.00 71.15 C ATOM 847 C VAL A 73 15.176 -4.964 -4.377 1.00 15.13 C ATOM 848 O VAL A 73 15.081 -5.850 -3.527 1.00 73.13 O ATOM 849 CB VAL A 73 14.158 -5.726 -6.524 1.00 53.32 C ATOM 850 CG1 VAL A 73 13.067 -4.698 -6.269 1.00 74.23 C ATOM 851 CG2 VAL A 73 14.381 -5.919 -8.017 1.00 44.13 C ATOM 0 H VAL A 73 16.105 -7.294 -6.028 1.00 13.41 H new ATOM 0 HA VAL A 73 15.871 -4.426 -6.336 1.00 71.15 H new ATOM 0 HB VAL A 73 13.834 -6.677 -6.102 1.00 53.32 H new ATOM 0 HG11 VAL A 73 12.148 -5.012 -6.765 1.00 74.23 H new ATOM 0 HG12 VAL A 73 12.890 -4.614 -5.197 1.00 74.23 H new ATOM 0 HG13 VAL A 73 13.379 -3.731 -6.662 1.00 74.23 H new ATOM 0 HG21 VAL A 73 13.445 -6.216 -8.489 1.00 44.13 H new ATOM 0 HG22 VAL A 73 14.729 -4.984 -8.457 1.00 44.13 H new ATOM 0 HG23 VAL A 73 15.129 -6.696 -8.176 1.00 44.13 H new ATOM 861 N ASP A 74 15.033 -3.673 -4.095 1.00 73.24 N ATOM 862 CA ASP A 74 14.748 -3.213 -2.741 1.00 2.12 C ATOM 863 C ASP A 74 13.536 -3.938 -2.165 1.00 41.42 C ATOM 864 O ASP A 74 13.513 -4.288 -0.985 1.00 71.24 O ATOM 865 CB ASP A 74 14.508 -1.703 -2.733 1.00 41.33 C ATOM 866 CG ASP A 74 15.801 -0.911 -2.708 1.00 74.34 C ATOM 867 OD1 ASP A 74 16.535 -0.941 -3.719 1.00 30.23 O ATOM 868 OD2 ASP A 74 16.078 -0.261 -1.679 1.00 41.12 O ATOM 0 H ASP A 74 15.110 -2.927 -4.786 1.00 73.24 H new ATOM 0 HA ASP A 74 15.613 -3.438 -2.117 1.00 2.12 H new ATOM 0 HB2 ASP A 74 13.932 -1.425 -3.616 1.00 41.33 H new ATOM 0 HB3 ASP A 74 13.906 -1.438 -1.863 1.00 41.33 H new ATOM 873 N ASP A 75 12.530 -4.156 -3.005 1.00 14.13 N ATOM 874 CA ASP A 75 11.313 -4.838 -2.579 1.00 2.22 C ATOM 875 C ASP A 75 11.406 -6.336 -2.852 1.00 73.32 C ATOM 876 O ASP A 75 10.396 -6.996 -3.094 1.00 30.24 O ATOM 877 CB ASP A 75 10.096 -4.251 -3.295 1.00 0.44 C ATOM 878 CG ASP A 75 10.214 -2.753 -3.501 1.00 54.24 C ATOM 879 OD1 ASP A 75 10.227 -2.015 -2.495 1.00 31.13 O ATOM 880 OD2 ASP A 75 10.290 -2.319 -4.671 1.00 21.10 O ATOM 0 H ASP A 75 12.533 -3.871 -3.984 1.00 14.13 H new ATOM 0 HA ASP A 75 11.199 -4.689 -1.505 1.00 2.22 H new ATOM 0 HB2 ASP A 75 9.976 -4.740 -4.262 1.00 0.44 H new ATOM 0 HB3 ASP A 75 9.198 -4.466 -2.715 1.00 0.44 H new ATOM 885 N GLY A 76 12.624 -6.866 -2.813 1.00 2.30 N ATOM 886 CA GLY A 76 12.827 -8.281 -3.060 1.00 74.51 C ATOM 887 C GLY A 76 11.910 -9.152 -2.223 1.00 50.44 C ATOM 888 O GLY A 76 11.655 -10.306 -2.567 1.00 2.03 O ATOM 0 H GLY A 76 13.475 -6.340 -2.614 1.00 2.30 H new ATOM 0 HA2 GLY A 76 12.658 -8.490 -4.116 1.00 74.51 H new ATOM 0 HA3 GLY A 76 13.864 -8.539 -2.846 1.00 74.51 H new ATOM 892 N ALA A 77 11.413 -8.599 -1.122 1.00 43.33 N ATOM 893 CA ALA A 77 10.520 -9.333 -0.234 1.00 52.24 C ATOM 894 C ALA A 77 9.118 -9.433 -0.827 1.00 32.10 C ATOM 895 O ALA A 77 8.596 -10.529 -1.028 1.00 72.01 O ATOM 896 CB ALA A 77 10.470 -8.667 1.133 1.00 62.53 C ATOM 0 H ALA A 77 11.614 -7.645 -0.823 1.00 43.33 H new ATOM 0 HA ALA A 77 10.912 -10.344 -0.119 1.00 52.24 H new ATOM 0 HB1 ALA A 77 9.799 -9.226 1.786 1.00 62.53 H new ATOM 0 HB2 ALA A 77 11.470 -8.652 1.567 1.00 62.53 H new ATOM 0 HB3 ALA A 77 10.105 -7.645 1.027 1.00 62.53 H new ATOM 902 N SER A 78 8.515 -8.282 -1.105 1.00 34.03 N ATOM 903 CA SER A 78 7.171 -8.240 -1.670 1.00 71.21 C ATOM 904 C SER A 78 7.189 -8.640 -3.142 1.00 0.11 C ATOM 905 O SER A 78 6.379 -9.455 -3.585 1.00 62.03 O ATOM 906 CB SER A 78 6.574 -6.840 -1.517 1.00 50.12 C ATOM 907 OG SER A 78 6.479 -6.472 -0.153 1.00 5.33 O ATOM 0 H SER A 78 8.935 -7.366 -0.948 1.00 34.03 H new ATOM 0 HA SER A 78 6.551 -8.952 -1.125 1.00 71.21 H new ATOM 0 HB2 SER A 78 7.193 -6.117 -2.049 1.00 50.12 H new ATOM 0 HB3 SER A 78 5.585 -6.811 -1.974 1.00 50.12 H new ATOM 0 HG SER A 78 6.096 -5.573 -0.083 1.00 5.33 H new ATOM 913 N VAL A 79 8.118 -8.061 -3.896 1.00 1.32 N ATOM 914 CA VAL A 79 8.243 -8.356 -5.317 1.00 60.32 C ATOM 915 C VAL A 79 8.227 -9.860 -5.570 1.00 3.13 C ATOM 916 O VAL A 79 7.629 -10.330 -6.536 1.00 54.32 O ATOM 917 CB VAL A 79 9.538 -7.762 -5.903 1.00 1.13 C ATOM 918 CG1 VAL A 79 10.732 -8.639 -5.557 1.00 63.21 C ATOM 919 CG2 VAL A 79 9.411 -7.588 -7.408 1.00 62.43 C ATOM 0 H VAL A 79 8.796 -7.384 -3.545 1.00 1.32 H new ATOM 0 HA VAL A 79 7.386 -7.898 -5.811 1.00 60.32 H new ATOM 0 HB VAL A 79 9.700 -6.779 -5.460 1.00 1.13 H new ATOM 0 HG11 VAL A 79 11.638 -8.204 -5.979 1.00 63.21 H new ATOM 0 HG12 VAL A 79 10.832 -8.706 -4.474 1.00 63.21 H new ATOM 0 HG13 VAL A 79 10.582 -9.637 -5.970 1.00 63.21 H new ATOM 0 HG21 VAL A 79 10.335 -7.167 -7.805 1.00 62.43 H new ATOM 0 HG22 VAL A 79 9.225 -8.557 -7.872 1.00 62.43 H new ATOM 0 HG23 VAL A 79 8.582 -6.915 -7.628 1.00 62.43 H new ATOM 929 N GLN A 80 8.890 -10.608 -4.694 1.00 12.43 N ATOM 930 CA GLN A 80 8.952 -12.059 -4.821 1.00 72.40 C ATOM 931 C GLN A 80 7.751 -12.717 -4.149 1.00 65.01 C ATOM 932 O GLN A 80 7.354 -13.823 -4.513 1.00 23.34 O ATOM 933 CB GLN A 80 10.249 -12.591 -4.210 1.00 13.31 C ATOM 934 CG GLN A 80 10.538 -14.041 -4.564 1.00 22.25 C ATOM 935 CD GLN A 80 10.068 -15.008 -3.495 1.00 14.21 C ATOM 936 OE1 GLN A 80 9.141 -14.712 -2.740 1.00 35.44 O ATOM 937 NE2 GLN A 80 10.705 -16.170 -3.426 1.00 35.40 N ATOM 0 H GLN A 80 9.392 -10.233 -3.889 1.00 12.43 H new ATOM 0 HA GLN A 80 8.931 -12.306 -5.882 1.00 72.40 H new ATOM 0 HB2 GLN A 80 11.080 -11.971 -4.546 1.00 13.31 H new ATOM 0 HB3 GLN A 80 10.197 -12.494 -3.126 1.00 13.31 H new ATOM 0 HG2 GLN A 80 10.051 -14.284 -5.508 1.00 22.25 H new ATOM 0 HG3 GLN A 80 11.610 -14.167 -4.717 1.00 22.25 H new ATOM 0 HE21 GLN A 80 11.468 -16.373 -4.072 1.00 35.40 H new ATOM 0 HE22 GLN A 80 10.432 -16.861 -2.727 1.00 35.40 H new ATOM 946 N GLU A 81 7.179 -12.028 -3.165 1.00 60.33 N ATOM 947 CA GLU A 81 6.026 -12.548 -2.442 1.00 74.10 C ATOM 948 C GLU A 81 4.838 -12.744 -3.380 1.00 41.02 C ATOM 949 O GLU A 81 4.159 -13.770 -3.335 1.00 24.55 O ATOM 950 CB GLU A 81 5.639 -11.599 -1.305 1.00 21.05 C ATOM 951 CG GLU A 81 4.436 -12.067 -0.503 1.00 44.10 C ATOM 952 CD GLU A 81 3.149 -11.393 -0.936 1.00 11.31 C ATOM 953 OE1 GLU A 81 2.827 -10.319 -0.385 1.00 41.33 O ATOM 954 OE2 GLU A 81 2.464 -11.939 -1.825 1.00 14.51 O ATOM 0 H GLU A 81 7.496 -11.110 -2.852 1.00 60.33 H new ATOM 0 HA GLU A 81 6.300 -13.516 -2.022 1.00 74.10 H new ATOM 0 HB2 GLU A 81 6.490 -11.484 -0.634 1.00 21.05 H new ATOM 0 HB3 GLU A 81 5.426 -10.614 -1.722 1.00 21.05 H new ATOM 0 HG2 GLU A 81 4.330 -13.147 -0.610 1.00 44.10 H new ATOM 0 HG3 GLU A 81 4.609 -11.867 0.554 1.00 44.10 H new ATOM 961 N VAL A 82 4.592 -11.753 -4.230 1.00 43.23 N ATOM 962 CA VAL A 82 3.488 -11.816 -5.181 1.00 1.52 C ATOM 963 C VAL A 82 3.904 -12.532 -6.460 1.00 44.45 C ATOM 964 O VAL A 82 3.063 -13.040 -7.202 1.00 42.44 O ATOM 965 CB VAL A 82 2.974 -10.408 -5.536 1.00 12.02 C ATOM 966 CG1 VAL A 82 4.093 -9.564 -6.126 1.00 14.51 C ATOM 967 CG2 VAL A 82 1.799 -10.499 -6.499 1.00 53.23 C ATOM 0 H VAL A 82 5.143 -10.896 -4.280 1.00 43.23 H new ATOM 0 HA VAL A 82 2.687 -12.377 -4.700 1.00 1.52 H new ATOM 0 HB VAL A 82 2.630 -9.924 -4.622 1.00 12.02 H new ATOM 0 HG11 VAL A 82 3.711 -8.573 -6.371 1.00 14.51 H new ATOM 0 HG12 VAL A 82 4.901 -9.473 -5.400 1.00 14.51 H new ATOM 0 HG13 VAL A 82 4.470 -10.041 -7.031 1.00 14.51 H new ATOM 0 HG21 VAL A 82 1.447 -9.496 -6.740 1.00 53.23 H new ATOM 0 HG22 VAL A 82 2.116 -11.002 -7.413 1.00 53.23 H new ATOM 0 HG23 VAL A 82 0.991 -11.065 -6.035 1.00 53.23 H new ATOM 977 N LEU A 83 5.208 -12.568 -6.714 1.00 43.34 N ATOM 978 CA LEU A 83 5.737 -13.222 -7.906 1.00 3.02 C ATOM 979 C LEU A 83 5.751 -14.737 -7.733 1.00 62.44 C ATOM 980 O LEU A 83 5.312 -15.478 -8.615 1.00 4.11 O ATOM 981 CB LEU A 83 7.151 -12.719 -8.202 1.00 50.34 C ATOM 982 CG LEU A 83 7.278 -11.703 -9.338 1.00 31.42 C ATOM 983 CD1 LEU A 83 8.567 -10.907 -9.201 1.00 71.11 C ATOM 984 CD2 LEU A 83 7.221 -12.403 -10.688 1.00 54.30 C ATOM 0 H LEU A 83 5.918 -12.152 -6.111 1.00 43.34 H new ATOM 0 HA LEU A 83 5.087 -12.976 -8.745 1.00 3.02 H new ATOM 0 HB2 LEU A 83 7.553 -12.270 -7.294 1.00 50.34 H new ATOM 0 HB3 LEU A 83 7.779 -13.578 -8.438 1.00 50.34 H new ATOM 0 HG LEU A 83 6.439 -11.010 -9.275 1.00 31.42 H new ATOM 0 HD11 LEU A 83 8.640 -10.189 -10.018 1.00 71.11 H new ATOM 0 HD12 LEU A 83 8.567 -10.375 -8.250 1.00 71.11 H new ATOM 0 HD13 LEU A 83 9.419 -11.586 -9.237 1.00 71.11 H new ATOM 0 HD21 LEU A 83 7.313 -11.665 -11.485 1.00 54.30 H new ATOM 0 HD22 LEU A 83 8.039 -13.120 -10.761 1.00 54.30 H new ATOM 0 HD23 LEU A 83 6.270 -12.927 -10.786 1.00 54.30 H new ATOM 996 N THR A 84 6.254 -15.194 -6.591 1.00 64.22 N ATOM 997 CA THR A 84 6.323 -16.622 -6.303 1.00 3.41 C ATOM 998 C THR A 84 4.945 -17.266 -6.380 1.00 14.32 C ATOM 999 O THR A 84 4.823 -18.466 -6.618 1.00 73.53 O ATOM 1000 CB THR A 84 6.923 -16.884 -4.908 1.00 41.04 C ATOM 1001 OG1 THR A 84 8.336 -16.653 -4.931 1.00 12.22 O ATOM 1002 CG2 THR A 84 6.645 -18.311 -4.460 1.00 64.11 C ATOM 0 H THR A 84 6.620 -14.596 -5.850 1.00 64.22 H new ATOM 0 HA THR A 84 6.970 -17.066 -7.059 1.00 3.41 H new ATOM 0 HB THR A 84 6.455 -16.199 -4.201 1.00 41.04 H new ATOM 0 HG1 THR A 84 8.806 -17.476 -4.683 1.00 12.22 H new ATOM 0 HG21 THR A 84 7.078 -18.473 -3.473 1.00 64.11 H new ATOM 0 HG22 THR A 84 5.568 -18.475 -4.416 1.00 64.11 H new ATOM 0 HG23 THR A 84 7.089 -19.008 -5.170 1.00 64.11 H new ATOM 1010 N GLU A 85 3.907 -16.459 -6.177 1.00 25.11 N ATOM 1011 CA GLU A 85 2.536 -16.952 -6.225 1.00 31.44 C ATOM 1012 C GLU A 85 2.031 -17.022 -7.663 1.00 24.42 C ATOM 1013 O GLU A 85 0.982 -17.604 -7.936 1.00 32.20 O ATOM 1014 CB GLU A 85 1.618 -16.052 -5.394 1.00 63.22 C ATOM 1015 CG GLU A 85 1.142 -16.695 -4.101 1.00 42.15 C ATOM 1016 CD GLU A 85 -0.160 -16.103 -3.601 1.00 52.03 C ATOM 1017 OE1 GLU A 85 -1.172 -16.193 -4.328 1.00 54.31 O ATOM 1018 OE2 GLU A 85 -0.168 -15.550 -2.481 1.00 13.34 O ATOM 0 H GLU A 85 3.990 -15.462 -5.978 1.00 25.11 H new ATOM 0 HA GLU A 85 2.525 -17.958 -5.806 1.00 31.44 H new ATOM 0 HB2 GLU A 85 2.146 -15.128 -5.158 1.00 63.22 H new ATOM 0 HB3 GLU A 85 0.751 -15.779 -5.995 1.00 63.22 H new ATOM 0 HG2 GLU A 85 1.013 -17.766 -4.258 1.00 42.15 H new ATOM 0 HG3 GLU A 85 1.909 -16.575 -3.336 1.00 42.15 H new ATOM 1025 N ILE A 86 2.787 -16.424 -8.578 1.00 45.12 N ATOM 1026 CA ILE A 86 2.418 -16.419 -9.988 1.00 43.00 C ATOM 1027 C ILE A 86 2.598 -17.800 -10.608 1.00 75.43 C ATOM 1028 O ILE A 86 1.782 -18.238 -11.419 1.00 63.51 O ATOM 1029 CB ILE A 86 3.252 -15.398 -10.785 1.00 12.03 C ATOM 1030 CG1 ILE A 86 3.057 -13.992 -10.213 1.00 45.31 C ATOM 1031 CG2 ILE A 86 2.869 -15.435 -12.257 1.00 0.43 C ATOM 1032 CD1 ILE A 86 3.773 -12.915 -11.000 1.00 74.54 C ATOM 0 H ILE A 86 3.658 -15.937 -8.368 1.00 45.12 H new ATOM 0 HA ILE A 86 1.367 -16.135 -10.038 1.00 43.00 H new ATOM 0 HB ILE A 86 4.306 -15.663 -10.698 1.00 12.03 H new ATOM 0 HG12 ILE A 86 1.991 -13.764 -10.186 1.00 45.31 H new ATOM 0 HG13 ILE A 86 3.412 -13.975 -9.183 1.00 45.31 H new ATOM 0 HG21 ILE A 86 3.467 -14.708 -12.807 1.00 0.43 H new ATOM 0 HG22 ILE A 86 3.053 -16.433 -12.656 1.00 0.43 H new ATOM 0 HG23 ILE A 86 1.812 -15.191 -12.364 1.00 0.43 H new ATOM 0 HD11 ILE A 86 3.591 -11.945 -10.538 1.00 74.54 H new ATOM 0 HD12 ILE A 86 4.844 -13.119 -11.005 1.00 74.54 H new ATOM 0 HD13 ILE A 86 3.401 -12.905 -12.024 1.00 74.54 H new ATOM 1044 N SER A 87 3.671 -18.482 -10.221 1.00 0.45 N ATOM 1045 CA SER A 87 3.960 -19.813 -10.740 1.00 42.22 C ATOM 1046 C SER A 87 3.972 -20.844 -9.615 1.00 62.54 C ATOM 1047 O SER A 87 3.951 -22.049 -9.864 1.00 33.42 O ATOM 1048 CB SER A 87 5.306 -19.819 -11.468 1.00 12.02 C ATOM 1049 OG SER A 87 5.193 -20.425 -12.744 1.00 52.12 O ATOM 0 H SER A 87 4.355 -18.134 -9.549 1.00 0.45 H new ATOM 0 HA SER A 87 3.173 -20.080 -11.445 1.00 42.22 H new ATOM 0 HB2 SER A 87 5.668 -18.797 -11.578 1.00 12.02 H new ATOM 0 HB3 SER A 87 6.043 -20.356 -10.871 1.00 12.02 H new ATOM 0 HG SER A 87 5.810 -21.184 -12.801 1.00 52.12 H new ATOM 1055 N ASN A 88 4.008 -20.361 -8.378 1.00 32.21 N ATOM 1056 CA ASN A 88 4.023 -21.239 -7.215 1.00 24.43 C ATOM 1057 C ASN A 88 5.175 -22.237 -7.301 1.00 43.34 C ATOM 1058 O ASN A 88 5.007 -23.419 -7.007 1.00 22.33 O ATOM 1059 CB ASN A 88 2.694 -21.987 -7.096 1.00 22.24 C ATOM 1060 CG ASN A 88 2.247 -22.146 -5.656 1.00 14.13 C ATOM 1061 OD1 ASN A 88 2.480 -21.271 -4.822 1.00 2.13 O ATOM 1062 ND2 ASN A 88 1.599 -23.265 -5.357 1.00 75.03 N ATOM 0 H ASN A 88 4.027 -19.366 -8.155 1.00 32.21 H new ATOM 0 HA ASN A 88 4.165 -20.622 -6.328 1.00 24.43 H new ATOM 0 HB2 ASN A 88 1.927 -21.450 -7.654 1.00 22.24 H new ATOM 0 HB3 ASN A 88 2.792 -22.971 -7.554 1.00 22.24 H new ATOM 0 HD21 ASN A 88 1.272 -23.426 -4.404 1.00 75.03 H new ATOM 0 HD22 ASN A 88 1.428 -23.964 -6.080 1.00 75.03 H new ATOM 1069 N GLN A 89 6.343 -21.750 -7.708 1.00 52.21 N ATOM 1070 CA GLN A 89 7.522 -22.598 -7.833 1.00 53.45 C ATOM 1071 C GLN A 89 8.637 -22.121 -6.909 1.00 23.45 C ATOM 1072 O GLN A 89 8.719 -20.940 -6.575 1.00 12.41 O ATOM 1073 CB GLN A 89 8.015 -22.610 -9.282 1.00 25.02 C ATOM 1074 CG GLN A 89 7.380 -23.699 -10.131 1.00 63.34 C ATOM 1075 CD GLN A 89 6.550 -23.141 -11.270 1.00 1.42 C ATOM 1076 OE1 GLN A 89 7.126 -22.209 -12.021 1.00 52.32 O flip ATOM 1077 NE2 GLN A 89 5.404 -23.543 -11.473 1.00 73.33 N flip ATOM 0 H GLN A 89 6.498 -20.773 -7.957 1.00 52.21 H new ATOM 0 HA GLN A 89 7.243 -23.611 -7.542 1.00 53.45 H new ATOM 0 HB2 GLN A 89 7.809 -21.641 -9.735 1.00 25.02 H new ATOM 0 HB3 GLN A 89 9.097 -22.741 -9.288 1.00 25.02 H new ATOM 0 HG2 GLN A 89 8.162 -24.341 -10.537 1.00 63.34 H new ATOM 0 HG3 GLN A 89 6.750 -24.325 -9.500 1.00 63.34 H new ATOM 0 HE21 GLN A 89 5.001 -24.261 -10.871 1.00 73.33 H new ATOM 0 HE22 GLN A 89 4.858 -23.158 -12.244 1.00 73.33 H new ATOM 1086 N LYS A 90 9.494 -23.050 -6.496 1.00 13.05 N ATOM 1087 CA LYS A 90 10.605 -22.726 -5.609 1.00 72.34 C ATOM 1088 C LYS A 90 11.320 -21.461 -6.073 1.00 11.21 C ATOM 1089 O LYS A 90 11.695 -20.613 -5.262 1.00 31.21 O ATOM 1090 CB LYS A 90 11.595 -23.892 -5.551 1.00 60.11 C ATOM 1091 CG LYS A 90 12.126 -24.170 -4.156 1.00 1.30 C ATOM 1092 CD LYS A 90 12.873 -25.492 -4.097 1.00 5.25 C ATOM 1093 CE LYS A 90 12.962 -26.019 -2.673 1.00 32.11 C ATOM 1094 NZ LYS A 90 11.759 -26.816 -2.301 1.00 50.31 N ATOM 0 H LYS A 90 9.440 -24.033 -6.762 1.00 13.05 H new ATOM 0 HA LYS A 90 10.202 -22.550 -4.612 1.00 72.34 H new ATOM 0 HB2 LYS A 90 11.108 -24.790 -5.931 1.00 60.11 H new ATOM 0 HB3 LYS A 90 12.433 -23.679 -6.214 1.00 60.11 H new ATOM 0 HG2 LYS A 90 12.790 -23.362 -3.851 1.00 1.30 H new ATOM 0 HG3 LYS A 90 11.298 -24.187 -3.447 1.00 1.30 H new ATOM 0 HD2 LYS A 90 12.368 -26.225 -4.726 1.00 5.25 H new ATOM 0 HD3 LYS A 90 13.877 -25.362 -4.501 1.00 5.25 H new ATOM 0 HE2 LYS A 90 13.854 -26.637 -2.569 1.00 32.11 H new ATOM 0 HE3 LYS A 90 13.072 -25.183 -1.982 1.00 32.11 H new ATOM 0 HZ1 LYS A 90 11.857 -27.158 -1.324 1.00 50.31 H new ATOM 0 HZ2 LYS A 90 10.911 -26.219 -2.375 1.00 50.31 H new ATOM 0 HZ3 LYS A 90 11.668 -27.628 -2.944 1.00 50.31 H new ATOM 1108 N THR A 91 11.506 -21.338 -7.384 1.00 31.53 N ATOM 1109 CA THR A 91 12.176 -20.177 -7.955 1.00 55.21 C ATOM 1110 C THR A 91 11.171 -19.097 -8.339 1.00 4.25 C ATOM 1111 O THR A 91 9.977 -19.220 -8.065 1.00 13.54 O ATOM 1112 CB THR A 91 13.001 -20.560 -9.198 1.00 2.42 C ATOM 1113 OG1 THR A 91 12.410 -21.688 -9.851 1.00 32.03 O ATOM 1114 CG2 THR A 91 14.437 -20.883 -8.816 1.00 1.04 C ATOM 0 H THR A 91 11.202 -22.029 -8.070 1.00 31.53 H new ATOM 0 HA THR A 91 12.847 -19.790 -7.188 1.00 55.21 H new ATOM 0 HB THR A 91 13.006 -19.709 -9.879 1.00 2.42 H new ATOM 0 HG1 THR A 91 12.940 -21.923 -10.641 1.00 32.03 H new ATOM 0 HG21 THR A 91 15.000 -21.151 -9.710 1.00 1.04 H new ATOM 0 HG22 THR A 91 14.894 -20.011 -8.347 1.00 1.04 H new ATOM 0 HG23 THR A 91 14.448 -21.719 -8.117 1.00 1.04 H new ATOM 1122 N VAL A 92 11.662 -18.038 -8.975 1.00 51.21 N ATOM 1123 CA VAL A 92 10.806 -16.936 -9.399 1.00 53.54 C ATOM 1124 C VAL A 92 10.785 -16.809 -10.919 1.00 31.04 C ATOM 1125 O VAL A 92 11.034 -15.742 -11.480 1.00 25.32 O ATOM 1126 CB VAL A 92 11.269 -15.599 -8.790 1.00 34.42 C ATOM 1127 CG1 VAL A 92 10.125 -14.597 -8.769 1.00 53.44 C ATOM 1128 CG2 VAL A 92 11.822 -15.816 -7.389 1.00 23.12 C ATOM 0 H VAL A 92 12.648 -17.920 -9.208 1.00 51.21 H new ATOM 0 HA VAL A 92 9.801 -17.161 -9.042 1.00 53.54 H new ATOM 0 HB VAL A 92 12.066 -15.192 -9.413 1.00 34.42 H new ATOM 0 HG11 VAL A 92 10.471 -13.659 -8.335 1.00 53.44 H new ATOM 0 HG12 VAL A 92 9.778 -14.420 -9.787 1.00 53.44 H new ATOM 0 HG13 VAL A 92 9.305 -14.993 -8.170 1.00 53.44 H new ATOM 0 HG21 VAL A 92 12.145 -14.861 -6.973 1.00 23.12 H new ATOM 0 HG22 VAL A 92 11.047 -16.245 -6.754 1.00 23.12 H new ATOM 0 HG23 VAL A 92 12.671 -16.497 -7.435 1.00 23.12 H new ATOM 1138 N PRO A 93 10.480 -17.922 -11.601 1.00 23.45 N ATOM 1139 CA PRO A 93 10.418 -17.961 -13.065 1.00 20.01 C ATOM 1140 C PRO A 93 9.230 -17.181 -13.616 1.00 44.31 C ATOM 1141 O PRO A 93 8.080 -17.471 -13.290 1.00 2.13 O ATOM 1142 CB PRO A 93 10.268 -19.453 -13.374 1.00 51.53 C ATOM 1143 CG PRO A 93 9.643 -20.032 -12.152 1.00 64.33 C ATOM 1144 CD PRO A 93 10.172 -19.230 -10.996 1.00 13.51 C ATOM 0 HA PRO A 93 11.295 -17.503 -13.522 1.00 20.01 H new ATOM 0 HB2 PRO A 93 9.643 -19.614 -14.253 1.00 51.53 H new ATOM 0 HB3 PRO A 93 11.234 -19.914 -13.581 1.00 51.53 H new ATOM 0 HG2 PRO A 93 8.556 -19.971 -12.204 1.00 64.33 H new ATOM 0 HG3 PRO A 93 9.899 -21.086 -12.045 1.00 64.33 H new ATOM 0 HD2 PRO A 93 9.435 -19.140 -10.198 1.00 13.51 H new ATOM 0 HD3 PRO A 93 11.059 -19.690 -10.560 1.00 13.51 H new ATOM 1152 N ASN A 94 9.516 -16.189 -14.453 1.00 53.32 N ATOM 1153 CA ASN A 94 8.469 -15.367 -15.049 1.00 43.40 C ATOM 1154 C ASN A 94 8.673 -15.235 -16.555 1.00 51.43 C ATOM 1155 O ASN A 94 9.686 -14.702 -17.011 1.00 11.32 O ATOM 1156 CB ASN A 94 8.452 -13.980 -14.403 1.00 50.11 C ATOM 1157 CG ASN A 94 7.292 -13.805 -13.441 1.00 21.10 C ATOM 1158 OD1 ASN A 94 6.586 -12.798 -13.478 1.00 42.13 O ATOM 1159 ND2 ASN A 94 7.092 -14.790 -12.572 1.00 72.11 N ATOM 0 H ASN A 94 10.463 -15.935 -14.734 1.00 53.32 H new ATOM 0 HA ASN A 94 7.511 -15.856 -14.871 1.00 43.40 H new ATOM 0 HB2 ASN A 94 9.389 -13.818 -13.871 1.00 50.11 H new ATOM 0 HB3 ASN A 94 8.392 -13.220 -15.182 1.00 50.11 H new ATOM 0 HD21 ASN A 94 6.328 -14.729 -11.899 1.00 72.11 H new ATOM 0 HD22 ASN A 94 7.703 -15.607 -12.578 1.00 72.11 H new ATOM 1166 N ILE A 95 7.705 -15.723 -17.323 1.00 74.13 N ATOM 1167 CA ILE A 95 7.777 -15.659 -18.777 1.00 51.33 C ATOM 1168 C ILE A 95 6.453 -15.191 -19.373 1.00 61.01 C ATOM 1169 O ILE A 95 5.484 -15.948 -19.430 1.00 11.00 O ATOM 1170 CB ILE A 95 8.146 -17.026 -19.384 1.00 12.35 C ATOM 1171 CG1 ILE A 95 7.564 -18.158 -18.536 1.00 72.02 C ATOM 1172 CG2 ILE A 95 9.657 -17.164 -19.497 1.00 52.21 C ATOM 1173 CD1 ILE A 95 8.493 -18.633 -17.442 1.00 4.12 C ATOM 0 H ILE A 95 6.861 -16.167 -16.962 1.00 74.13 H new ATOM 0 HA ILE A 95 8.558 -14.939 -19.023 1.00 51.33 H new ATOM 0 HB ILE A 95 7.719 -17.091 -20.385 1.00 12.35 H new ATOM 0 HG12 ILE A 95 6.630 -17.821 -18.087 1.00 72.02 H new ATOM 0 HG13 ILE A 95 7.321 -18.999 -19.185 1.00 72.02 H new ATOM 0 HG21 ILE A 95 9.903 -18.135 -19.927 1.00 52.21 H new ATOM 0 HG22 ILE A 95 10.048 -16.374 -20.138 1.00 52.21 H new ATOM 0 HG23 ILE A 95 10.105 -17.083 -18.507 1.00 52.21 H new ATOM 0 HD11 ILE A 95 8.014 -19.436 -16.882 1.00 4.12 H new ATOM 0 HD12 ILE A 95 9.418 -19.001 -17.885 1.00 4.12 H new ATOM 0 HD13 ILE A 95 8.717 -17.805 -16.770 1.00 4.12 H new ATOM 1185 N PHE A 96 6.420 -13.939 -19.817 1.00 70.52 N ATOM 1186 CA PHE A 96 5.216 -13.370 -20.411 1.00 14.44 C ATOM 1187 C PHE A 96 5.567 -12.443 -21.571 1.00 14.31 C ATOM 1188 O PHE A 96 6.221 -11.417 -21.384 1.00 43.32 O ATOM 1189 CB PHE A 96 4.414 -12.605 -19.356 1.00 22.24 C ATOM 1190 CG PHE A 96 4.160 -13.398 -18.105 1.00 51.35 C ATOM 1191 CD1 PHE A 96 5.143 -13.526 -17.138 1.00 62.12 C ATOM 1192 CD2 PHE A 96 2.937 -14.015 -17.898 1.00 12.40 C ATOM 1193 CE1 PHE A 96 4.912 -14.254 -15.986 1.00 74.24 C ATOM 1194 CE2 PHE A 96 2.699 -14.744 -16.748 1.00 42.41 C ATOM 1195 CZ PHE A 96 3.688 -14.865 -15.792 1.00 2.42 C ATOM 0 H PHE A 96 7.213 -13.299 -19.777 1.00 70.52 H new ATOM 0 HA PHE A 96 4.609 -14.189 -20.796 1.00 14.44 H new ATOM 0 HB2 PHE A 96 4.949 -11.692 -19.096 1.00 22.24 H new ATOM 0 HB3 PHE A 96 3.459 -12.303 -19.786 1.00 22.24 H new ATOM 0 HD1 PHE A 96 6.102 -13.051 -17.286 1.00 62.12 H new ATOM 0 HD2 PHE A 96 2.161 -13.925 -18.644 1.00 12.40 H new ATOM 0 HE1 PHE A 96 5.687 -14.345 -15.239 1.00 74.24 H new ATOM 0 HE2 PHE A 96 1.741 -15.218 -16.597 1.00 42.41 H new ATOM 0 HZ PHE A 96 3.505 -15.436 -14.894 1.00 2.42 H new ATOM 1205 N VAL A 97 5.126 -12.811 -22.769 1.00 24.02 N ATOM 1206 CA VAL A 97 5.393 -12.013 -23.961 1.00 33.14 C ATOM 1207 C VAL A 97 4.095 -11.535 -24.603 1.00 3.43 C ATOM 1208 O VAL A 97 3.098 -12.255 -24.622 1.00 11.34 O ATOM 1209 CB VAL A 97 6.205 -12.809 -24.999 1.00 74.44 C ATOM 1210 CG1 VAL A 97 5.392 -13.981 -25.527 1.00 73.12 C ATOM 1211 CG2 VAL A 97 6.648 -11.902 -26.137 1.00 24.20 C ATOM 0 H VAL A 97 4.582 -13.657 -22.941 1.00 24.02 H new ATOM 0 HA VAL A 97 5.976 -11.150 -23.641 1.00 33.14 H new ATOM 0 HB VAL A 97 7.096 -13.205 -24.512 1.00 74.44 H new ATOM 0 HG11 VAL A 97 5.982 -14.532 -26.259 1.00 73.12 H new ATOM 0 HG12 VAL A 97 5.128 -14.642 -24.702 1.00 73.12 H new ATOM 0 HG13 VAL A 97 4.482 -13.610 -25.999 1.00 73.12 H new ATOM 0 HG21 VAL A 97 7.221 -12.481 -26.862 1.00 24.20 H new ATOM 0 HG22 VAL A 97 5.771 -11.475 -26.625 1.00 24.20 H new ATOM 0 HG23 VAL A 97 7.270 -11.099 -25.741 1.00 24.20 H new ATOM 1221 N ASN A 98 4.117 -10.314 -25.128 1.00 63.31 N ATOM 1222 CA ASN A 98 2.941 -9.739 -25.772 1.00 65.13 C ATOM 1223 C ASN A 98 1.738 -9.770 -24.836 1.00 2.25 C ATOM 1224 O ASN A 98 0.609 -10.011 -25.265 1.00 20.53 O ATOM 1225 CB ASN A 98 2.619 -10.497 -27.062 1.00 34.22 C ATOM 1226 CG ASN A 98 2.075 -9.588 -28.147 1.00 15.35 C ATOM 1227 OD1 ASN A 98 1.287 -8.681 -27.875 1.00 73.42 O ATOM 1228 ND2 ASN A 98 2.493 -9.826 -29.384 1.00 2.44 N ATOM 0 H ASN A 98 4.935 -9.704 -25.120 1.00 63.31 H new ATOM 0 HA ASN A 98 3.162 -8.700 -26.015 1.00 65.13 H new ATOM 0 HB2 ASN A 98 3.520 -10.991 -27.424 1.00 34.22 H new ATOM 0 HB3 ASN A 98 1.891 -11.279 -26.848 1.00 34.22 H new ATOM 0 HD21 ASN A 98 2.161 -9.247 -30.155 1.00 2.44 H new ATOM 0 HD22 ASN A 98 3.146 -10.588 -29.564 1.00 2.44 H new ATOM 1235 N LYS A 99 1.987 -9.523 -23.554 1.00 12.03 N ATOM 1236 CA LYS A 99 0.925 -9.520 -22.555 1.00 73.22 C ATOM 1237 C LYS A 99 0.291 -10.902 -22.430 1.00 72.41 C ATOM 1238 O LYS A 99 -0.841 -11.038 -21.965 1.00 45.44 O ATOM 1239 CB LYS A 99 -0.145 -8.488 -22.921 1.00 32.13 C ATOM 1240 CG LYS A 99 0.421 -7.124 -23.275 1.00 22.35 C ATOM 1241 CD LYS A 99 0.481 -6.919 -24.780 1.00 31.14 C ATOM 1242 CE LYS A 99 0.241 -5.464 -25.153 1.00 52.04 C ATOM 1243 NZ LYS A 99 0.397 -5.235 -26.617 1.00 22.03 N ATOM 0 H LYS A 99 2.916 -9.322 -23.183 1.00 12.03 H new ATOM 0 HA LYS A 99 1.365 -9.253 -21.594 1.00 73.22 H new ATOM 0 HB2 LYS A 99 -0.724 -8.862 -23.765 1.00 32.13 H new ATOM 0 HB3 LYS A 99 -0.835 -8.380 -22.084 1.00 32.13 H new ATOM 0 HG2 LYS A 99 -0.195 -6.345 -22.825 1.00 22.35 H new ATOM 0 HG3 LYS A 99 1.421 -7.023 -22.853 1.00 22.35 H new ATOM 0 HD2 LYS A 99 1.455 -7.236 -25.153 1.00 31.14 H new ATOM 0 HD3 LYS A 99 -0.266 -7.548 -25.264 1.00 31.14 H new ATOM 0 HE2 LYS A 99 -0.762 -5.170 -24.844 1.00 52.04 H new ATOM 0 HE3 LYS A 99 0.941 -4.829 -24.609 1.00 52.04 H new ATOM 0 HZ1 LYS A 99 0.226 -4.232 -26.832 1.00 22.03 H new ATOM 0 HZ2 LYS A 99 1.362 -5.491 -26.908 1.00 22.03 H new ATOM 0 HZ3 LYS A 99 -0.288 -5.822 -27.135 1.00 22.03 H new ATOM 1257 N VAL A 100 1.029 -11.926 -22.847 1.00 52.35 N ATOM 1258 CA VAL A 100 0.540 -13.298 -22.780 1.00 32.21 C ATOM 1259 C VAL A 100 1.344 -14.119 -21.779 1.00 42.10 C ATOM 1260 O VAL A 100 2.475 -13.768 -21.437 1.00 35.23 O ATOM 1261 CB VAL A 100 0.602 -13.985 -24.158 1.00 3.33 C ATOM 1262 CG1 VAL A 100 1.855 -14.840 -24.273 1.00 35.05 C ATOM 1263 CG2 VAL A 100 -0.648 -14.819 -24.393 1.00 62.12 C ATOM 0 H VAL A 100 1.968 -11.831 -23.235 1.00 52.35 H new ATOM 0 HA VAL A 100 -0.499 -13.248 -22.454 1.00 32.21 H new ATOM 0 HB VAL A 100 0.647 -13.215 -24.928 1.00 3.33 H new ATOM 0 HG11 VAL A 100 1.881 -15.317 -25.253 1.00 35.05 H new ATOM 0 HG12 VAL A 100 2.737 -14.211 -24.152 1.00 35.05 H new ATOM 0 HG13 VAL A 100 1.846 -15.605 -23.497 1.00 35.05 H new ATOM 0 HG21 VAL A 100 -0.588 -15.297 -25.371 1.00 62.12 H new ATOM 0 HG22 VAL A 100 -0.726 -15.583 -23.620 1.00 62.12 H new ATOM 0 HG23 VAL A 100 -1.527 -14.175 -24.357 1.00 62.12 H new ATOM 1273 N HIS A 101 0.755 -15.216 -21.311 1.00 50.32 N ATOM 1274 CA HIS A 101 1.418 -16.088 -20.349 1.00 60.00 C ATOM 1275 C HIS A 101 2.091 -17.261 -21.054 1.00 60.50 C ATOM 1276 O HIS A 101 1.458 -17.982 -21.826 1.00 43.00 O ATOM 1277 CB HIS A 101 0.411 -16.605 -19.321 1.00 1.25 C ATOM 1278 CG HIS A 101 -0.854 -17.127 -19.930 1.00 61.02 C ATOM 1279 ND1 HIS A 101 -1.973 -16.345 -20.126 1.00 61.23 N ATOM 1280 CD2 HIS A 101 -1.172 -18.360 -20.390 1.00 0.53 C ATOM 1281 CE1 HIS A 101 -2.925 -17.075 -20.678 1.00 31.12 C ATOM 1282 NE2 HIS A 101 -2.465 -18.301 -20.849 1.00 3.03 N ATOM 0 H HIS A 101 -0.180 -15.521 -21.583 1.00 50.32 H new ATOM 0 HA HIS A 101 2.185 -15.507 -19.836 1.00 60.00 H new ATOM 0 HB2 HIS A 101 0.877 -17.398 -18.736 1.00 1.25 H new ATOM 0 HB3 HIS A 101 0.166 -15.800 -18.629 1.00 1.25 H new ATOM 0 HD2 HIS A 101 -0.529 -19.228 -20.395 1.00 0.53 H new ATOM 0 HE1 HIS A 101 -3.912 -16.728 -20.944 1.00 31.12 H new ATOM 0 HE2 HIS A 101 -2.986 -19.078 -21.256 1.00 3.03 H new ATOM 1290 N VAL A 102 3.380 -17.448 -20.783 1.00 74.21 N ATOM 1291 CA VAL A 102 4.139 -18.535 -21.392 1.00 14.34 C ATOM 1292 C VAL A 102 4.015 -19.815 -20.574 1.00 61.40 C ATOM 1293 O VAL A 102 3.744 -20.886 -21.116 1.00 74.31 O ATOM 1294 CB VAL A 102 5.628 -18.169 -21.530 1.00 2.44 C ATOM 1295 CG1 VAL A 102 6.433 -19.372 -21.998 1.00 33.00 C ATOM 1296 CG2 VAL A 102 5.802 -16.997 -22.484 1.00 22.35 C ATOM 0 H VAL A 102 3.920 -16.861 -20.146 1.00 74.21 H new ATOM 0 HA VAL A 102 3.719 -18.699 -22.384 1.00 14.34 H new ATOM 0 HB VAL A 102 6.003 -17.870 -20.551 1.00 2.44 H new ATOM 0 HG11 VAL A 102 7.483 -19.094 -22.090 1.00 33.00 H new ATOM 0 HG12 VAL A 102 6.334 -20.180 -21.274 1.00 33.00 H new ATOM 0 HG13 VAL A 102 6.060 -19.705 -22.967 1.00 33.00 H new ATOM 0 HG21 VAL A 102 6.861 -16.752 -22.570 1.00 22.35 H new ATOM 0 HG22 VAL A 102 5.411 -17.266 -23.465 1.00 22.35 H new ATOM 0 HG23 VAL A 102 5.259 -16.133 -22.101 1.00 22.35 H new ATOM 1306 N GLY A 103 4.216 -19.699 -19.265 1.00 11.31 N ATOM 1307 CA GLY A 103 4.123 -20.856 -18.394 1.00 14.54 C ATOM 1308 C GLY A 103 5.298 -20.961 -17.442 1.00 73.33 C ATOM 1309 O GLY A 103 5.414 -20.182 -16.499 1.00 15.54 O ATOM 0 H GLY A 103 4.442 -18.824 -18.792 1.00 11.31 H new ATOM 0 HA2 GLY A 103 3.198 -20.801 -17.820 1.00 14.54 H new ATOM 0 HA3 GLY A 103 4.069 -21.760 -19.000 1.00 14.54 H new ATOM 1313 N GLY A 104 6.173 -21.931 -17.691 1.00 12.12 N ATOM 1314 CA GLY A 104 7.332 -22.120 -16.839 1.00 42.52 C ATOM 1315 C GLY A 104 8.275 -23.182 -17.370 1.00 13.21 C ATOM 1316 O GLY A 104 8.398 -23.362 -18.582 1.00 43.54 O ATOM 0 H GLY A 104 6.100 -22.589 -18.467 1.00 12.12 H new ATOM 0 HA2 GLY A 104 7.869 -21.176 -16.746 1.00 42.52 H new ATOM 0 HA3 GLY A 104 7.002 -22.399 -15.838 1.00 42.52 H new ATOM 1320 N CYS A 105 8.942 -23.886 -16.463 1.00 11.35 N ATOM 1321 CA CYS A 105 9.881 -24.933 -16.846 1.00 71.42 C ATOM 1322 C CYS A 105 9.158 -26.085 -17.536 1.00 74.23 C ATOM 1323 O CYS A 105 9.788 -26.981 -18.097 1.00 2.03 O ATOM 1324 CB CYS A 105 10.632 -25.449 -15.618 1.00 31.23 C ATOM 1325 SG CYS A 105 9.563 -26.159 -14.343 1.00 41.14 S ATOM 0 H CYS A 105 8.850 -23.750 -15.456 1.00 11.35 H new ATOM 0 HA CYS A 105 10.598 -24.505 -17.547 1.00 71.42 H new ATOM 0 HB2 CYS A 105 11.351 -26.204 -15.936 1.00 31.23 H new ATOM 0 HB3 CYS A 105 11.203 -24.628 -15.183 1.00 31.23 H new ATOM 0 HG CYS A 105 10.290 -26.569 -13.346 1.00 41.14 H new ATOM 1331 N ASP A 106 7.830 -26.056 -17.489 1.00 20.51 N ATOM 1332 CA ASP A 106 7.020 -27.098 -18.109 1.00 1.24 C ATOM 1333 C ASP A 106 6.477 -26.634 -19.457 1.00 34.35 C ATOM 1334 O ASP A 106 6.540 -27.364 -20.447 1.00 13.52 O ATOM 1335 CB ASP A 106 5.864 -27.491 -17.188 1.00 32.32 C ATOM 1336 CG ASP A 106 5.459 -28.943 -17.353 1.00 40.13 C ATOM 1337 OD1 ASP A 106 4.683 -29.239 -18.285 1.00 70.22 O ATOM 1338 OD2 ASP A 106 5.918 -29.782 -16.551 1.00 31.20 O ATOM 0 H ASP A 106 7.292 -25.322 -17.028 1.00 20.51 H new ATOM 0 HA ASP A 106 7.655 -27.968 -18.273 1.00 1.24 H new ATOM 0 HB2 ASP A 106 6.152 -27.313 -16.152 1.00 32.32 H new ATOM 0 HB3 ASP A 106 5.006 -26.852 -17.394 1.00 32.32 H new ATOM 1343 N ARG A 107 5.942 -25.418 -19.487 1.00 2.52 N ATOM 1344 CA ARG A 107 5.386 -24.858 -20.713 1.00 3.14 C ATOM 1345 C ARG A 107 6.476 -24.197 -21.553 1.00 31.22 C ATOM 1346 O ARG A 107 6.692 -24.563 -22.708 1.00 61.24 O ATOM 1347 CB ARG A 107 4.293 -23.840 -20.383 1.00 51.51 C ATOM 1348 CG ARG A 107 3.066 -23.953 -21.273 1.00 33.24 C ATOM 1349 CD ARG A 107 3.369 -23.520 -22.699 1.00 71.41 C ATOM 1350 NE ARG A 107 2.412 -24.072 -23.653 1.00 70.45 N ATOM 1351 CZ ARG A 107 2.471 -25.315 -24.119 1.00 34.13 C ATOM 1352 NH1 ARG A 107 3.436 -26.131 -23.718 1.00 61.03 N ATOM 1353 NH2 ARG A 107 1.562 -25.744 -24.985 1.00 71.21 N ATOM 0 H ARG A 107 5.882 -24.802 -18.676 1.00 2.52 H new ATOM 0 HA ARG A 107 4.951 -25.673 -21.291 1.00 3.14 H new ATOM 0 HB2 ARG A 107 3.991 -23.969 -19.344 1.00 51.51 H new ATOM 0 HB3 ARG A 107 4.705 -22.835 -20.473 1.00 51.51 H new ATOM 0 HG2 ARG A 107 2.709 -24.983 -21.273 1.00 33.24 H new ATOM 0 HG3 ARG A 107 2.263 -23.337 -20.868 1.00 33.24 H new ATOM 0 HD2 ARG A 107 3.354 -22.432 -22.758 1.00 71.41 H new ATOM 0 HD3 ARG A 107 4.375 -23.840 -22.969 1.00 71.41 H new ATOM 0 HE ARG A 107 1.656 -23.470 -23.980 1.00 70.45 H new ATOM 0 HH11 ARG A 107 4.135 -25.805 -23.050 1.00 61.03 H new ATOM 0 HH12 ARG A 107 3.479 -27.085 -24.077 1.00 61.03 H new ATOM 0 HH21 ARG A 107 0.817 -25.119 -25.294 1.00 71.21 H new ATOM 0 HH22 ARG A 107 1.608 -26.698 -25.342 1.00 71.21 H new ATOM 1367 N THR A 108 7.160 -23.221 -20.964 1.00 31.54 N ATOM 1368 CA THR A 108 8.225 -22.509 -21.657 1.00 4.44 C ATOM 1369 C THR A 108 9.254 -23.478 -22.227 1.00 1.22 C ATOM 1370 O THR A 108 9.965 -23.155 -23.180 1.00 11.55 O ATOM 1371 CB THR A 108 8.938 -21.514 -20.720 1.00 71.32 C ATOM 1372 OG1 THR A 108 8.037 -21.072 -19.699 1.00 15.32 O ATOM 1373 CG2 THR A 108 9.458 -20.315 -21.499 1.00 22.32 C ATOM 0 H THR A 108 6.995 -22.906 -20.008 1.00 31.54 H new ATOM 0 HA THR A 108 7.758 -21.958 -22.473 1.00 4.44 H new ATOM 0 HB THR A 108 9.785 -22.024 -20.261 1.00 71.32 H new ATOM 0 HG1 THR A 108 8.540 -20.878 -18.880 1.00 15.32 H new ATOM 0 HG21 THR A 108 9.957 -19.627 -20.817 1.00 22.32 H new ATOM 0 HG22 THR A 108 10.166 -20.652 -22.256 1.00 22.32 H new ATOM 0 HG23 THR A 108 8.624 -19.806 -21.982 1.00 22.32 H new ATOM 1381 N PHE A 109 9.329 -24.668 -21.640 1.00 32.01 N ATOM 1382 CA PHE A 109 10.272 -25.684 -22.090 1.00 63.43 C ATOM 1383 C PHE A 109 9.697 -26.480 -23.260 1.00 5.34 C ATOM 1384 O PHE A 109 10.252 -26.476 -24.358 1.00 72.33 O ATOM 1385 CB PHE A 109 10.624 -26.630 -20.941 1.00 31.45 C ATOM 1386 CG PHE A 109 11.728 -26.117 -20.060 1.00 34.43 C ATOM 1387 CD1 PHE A 109 11.839 -24.765 -19.782 1.00 41.14 C ATOM 1388 CD2 PHE A 109 12.653 -26.989 -19.510 1.00 23.04 C ATOM 1389 CE1 PHE A 109 12.854 -24.290 -18.972 1.00 50.22 C ATOM 1390 CE2 PHE A 109 13.670 -26.521 -18.698 1.00 51.15 C ATOM 1391 CZ PHE A 109 13.771 -25.169 -18.430 1.00 73.15 C ATOM 0 H PHE A 109 8.748 -24.952 -20.851 1.00 32.01 H new ATOM 0 HA PHE A 109 11.178 -25.179 -22.426 1.00 63.43 H new ATOM 0 HB2 PHE A 109 9.734 -26.799 -20.334 1.00 31.45 H new ATOM 0 HB3 PHE A 109 10.917 -27.596 -21.353 1.00 31.45 H new ATOM 0 HD1 PHE A 109 11.124 -24.073 -20.203 1.00 41.14 H new ATOM 0 HD2 PHE A 109 12.579 -28.046 -19.718 1.00 23.04 H new ATOM 0 HE1 PHE A 109 12.930 -23.233 -18.763 1.00 50.22 H new ATOM 0 HE2 PHE A 109 14.384 -27.211 -18.274 1.00 51.15 H new ATOM 0 HZ PHE A 109 14.565 -24.801 -17.798 1.00 73.15 H new ATOM 1401 N GLN A 110 8.582 -27.161 -23.013 1.00 22.25 N ATOM 1402 CA GLN A 110 7.933 -27.962 -24.044 1.00 3.43 C ATOM 1403 C GLN A 110 7.717 -27.143 -25.313 1.00 23.11 C ATOM 1404 O GLN A 110 8.177 -27.518 -26.391 1.00 61.13 O ATOM 1405 CB GLN A 110 6.595 -28.498 -23.535 1.00 72.41 C ATOM 1406 CG GLN A 110 6.049 -29.653 -24.360 1.00 63.12 C ATOM 1407 CD GLN A 110 6.722 -30.973 -24.033 1.00 53.50 C ATOM 1408 OE1 GLN A 110 6.424 -31.514 -22.858 1.00 15.25 O flip ATOM 1409 NE2 GLN A 110 7.500 -31.500 -24.830 1.00 4.02 N flip ATOM 0 H GLN A 110 8.110 -27.174 -22.109 1.00 22.25 H new ATOM 0 HA GLN A 110 8.586 -28.802 -24.282 1.00 3.43 H new ATOM 0 HB2 GLN A 110 6.713 -28.824 -22.502 1.00 72.41 H new ATOM 0 HB3 GLN A 110 5.866 -27.688 -23.532 1.00 72.41 H new ATOM 0 HG2 GLN A 110 4.977 -29.743 -24.187 1.00 63.12 H new ATOM 0 HG3 GLN A 110 6.183 -29.433 -25.419 1.00 63.12 H new ATOM 0 HE21 GLN A 110 7.700 -31.048 -25.722 1.00 4.02 H new ATOM 0 HE22 GLN A 110 7.944 -32.388 -24.597 1.00 4.02 H new ATOM 1418 N ALA A 111 7.013 -26.025 -25.177 1.00 11.33 N ATOM 1419 CA ALA A 111 6.737 -25.153 -26.312 1.00 4.34 C ATOM 1420 C ALA A 111 8.012 -24.842 -27.089 1.00 32.22 C ATOM 1421 O ALA A 111 7.974 -24.616 -28.298 1.00 23.21 O ATOM 1422 CB ALA A 111 6.078 -23.865 -25.841 1.00 32.41 C ATOM 0 H ALA A 111 6.623 -25.701 -24.292 1.00 11.33 H new ATOM 0 HA ALA A 111 6.053 -25.675 -26.981 1.00 4.34 H new ATOM 0 HB1 ALA A 111 5.878 -23.224 -26.699 1.00 32.41 H new ATOM 0 HB2 ALA A 111 5.141 -24.099 -25.337 1.00 32.41 H new ATOM 0 HB3 ALA A 111 6.743 -23.348 -25.149 1.00 32.41 H new ATOM 1428 N HIS A 112 9.140 -24.833 -26.385 1.00 3.30 N ATOM 1429 CA HIS A 112 10.428 -24.549 -27.010 1.00 35.42 C ATOM 1430 C HIS A 112 10.811 -25.654 -27.990 1.00 31.30 C ATOM 1431 O HIS A 112 11.297 -25.381 -29.088 1.00 0.03 O ATOM 1432 CB HIS A 112 11.514 -24.399 -25.943 1.00 71.32 C ATOM 1433 CG HIS A 112 12.729 -23.668 -26.425 1.00 13.24 C ATOM 1434 ND1 HIS A 112 14.014 -24.123 -26.215 1.00 14.15 N ATOM 1435 CD2 HIS A 112 12.849 -22.508 -27.111 1.00 61.32 C ATOM 1436 CE1 HIS A 112 14.871 -23.273 -26.749 1.00 65.04 C ATOM 1437 NE2 HIS A 112 14.191 -22.284 -27.300 1.00 75.15 N ATOM 0 H HIS A 112 9.189 -25.019 -25.383 1.00 3.30 H new ATOM 0 HA HIS A 112 10.339 -23.613 -27.561 1.00 35.42 H new ATOM 0 HB2 HIS A 112 11.098 -23.871 -25.085 1.00 71.32 H new ATOM 0 HB3 HIS A 112 11.810 -25.389 -25.595 1.00 71.32 H new ATOM 0 HD2 HIS A 112 12.040 -21.876 -27.447 1.00 61.32 H new ATOM 0 HE1 HIS A 112 15.947 -23.370 -26.737 1.00 65.04 H new ATOM 0 HE2 HIS A 112 14.596 -21.484 -27.787 1.00 75.15 H new ATOM 1445 N GLN A 113 10.589 -26.901 -27.586 1.00 43.25 N ATOM 1446 CA GLN A 113 10.913 -28.045 -28.429 1.00 72.34 C ATOM 1447 C GLN A 113 9.750 -28.384 -29.357 1.00 41.11 C ATOM 1448 O GLN A 113 9.933 -29.037 -30.384 1.00 4.05 O ATOM 1449 CB GLN A 113 11.261 -29.260 -27.566 1.00 3.22 C ATOM 1450 CG GLN A 113 12.516 -29.070 -26.729 1.00 10.03 C ATOM 1451 CD GLN A 113 12.774 -30.234 -25.792 1.00 14.11 C ATOM 1452 OE1 GLN A 113 13.413 -31.218 -26.166 1.00 14.54 O ATOM 1453 NE2 GLN A 113 12.277 -30.128 -24.565 1.00 14.12 N ATOM 0 H GLN A 113 10.186 -27.144 -26.681 1.00 43.25 H new ATOM 0 HA GLN A 113 11.777 -27.781 -29.039 1.00 72.34 H new ATOM 0 HB2 GLN A 113 10.422 -29.478 -26.905 1.00 3.22 H new ATOM 0 HB3 GLN A 113 11.392 -30.129 -28.211 1.00 3.22 H new ATOM 0 HG2 GLN A 113 13.373 -28.944 -27.390 1.00 10.03 H new ATOM 0 HG3 GLN A 113 12.425 -28.153 -26.147 1.00 10.03 H new ATOM 0 HE21 GLN A 113 11.753 -29.295 -24.297 1.00 14.12 H new ATOM 0 HE22 GLN A 113 12.419 -30.880 -23.891 1.00 14.12 H new ATOM 1462 N ASN A 114 8.555 -27.935 -28.988 1.00 75.51 N ATOM 1463 CA ASN A 114 7.362 -28.192 -29.787 1.00 62.13 C ATOM 1464 C ASN A 114 7.159 -27.096 -30.828 1.00 61.33 C ATOM 1465 O ASN A 114 6.397 -27.262 -31.779 1.00 53.24 O ATOM 1466 CB ASN A 114 6.130 -28.289 -28.885 1.00 12.20 C ATOM 1467 CG ASN A 114 5.931 -29.684 -28.327 1.00 32.25 C ATOM 1468 OD1 ASN A 114 7.008 -30.284 -27.834 1.00 73.43 O flip ATOM 1469 ND2 ASN A 114 4.821 -30.217 -28.338 1.00 11.32 N flip ATOM 0 H ASN A 114 8.387 -27.392 -28.141 1.00 75.51 H new ATOM 0 HA ASN A 114 7.499 -29.141 -30.306 1.00 62.13 H new ATOM 0 HB2 ASN A 114 6.229 -27.582 -28.061 1.00 12.20 H new ATOM 0 HB3 ASN A 114 5.245 -27.997 -29.451 1.00 12.20 H new ATOM 0 HD21 ASN A 114 4.020 -29.719 -28.727 1.00 11.32 H new ATOM 0 HD22 ASN A 114 4.702 -31.156 -27.958 1.00 11.32 H new ATOM 1476 N GLY A 115 7.848 -25.974 -30.641 1.00 3.12 N ATOM 1477 CA GLY A 115 7.731 -24.867 -31.572 1.00 13.23 C ATOM 1478 C GLY A 115 6.643 -23.888 -31.174 1.00 22.04 C ATOM 1479 O GLY A 115 6.521 -22.813 -31.762 1.00 14.31 O ATOM 0 H GLY A 115 8.485 -25.812 -29.861 1.00 3.12 H new ATOM 0 HA2 GLY A 115 8.685 -24.342 -31.630 1.00 13.23 H new ATOM 0 HA3 GLY A 115 7.520 -25.255 -32.569 1.00 13.23 H new ATOM 1483 N LEU A 116 5.852 -24.259 -30.175 1.00 24.35 N ATOM 1484 CA LEU A 116 4.768 -23.407 -29.699 1.00 11.20 C ATOM 1485 C LEU A 116 5.317 -22.150 -29.031 1.00 21.24 C ATOM 1486 O LEU A 116 4.601 -21.163 -28.856 1.00 51.01 O ATOM 1487 CB LEU A 116 3.882 -24.175 -28.717 1.00 15.20 C ATOM 1488 CG LEU A 116 2.376 -23.944 -28.850 1.00 3.01 C ATOM 1489 CD1 LEU A 116 2.039 -22.477 -28.634 1.00 63.43 C ATOM 1490 CD2 LEU A 116 1.884 -24.411 -30.211 1.00 70.40 C ATOM 0 H LEU A 116 5.941 -25.145 -29.678 1.00 24.35 H new ATOM 0 HA LEU A 116 4.170 -23.107 -30.560 1.00 11.20 H new ATOM 0 HB2 LEU A 116 4.078 -25.240 -28.838 1.00 15.20 H new ATOM 0 HB3 LEU A 116 4.182 -23.909 -27.703 1.00 15.20 H new ATOM 0 HG LEU A 116 1.869 -24.528 -28.082 1.00 3.01 H new ATOM 0 HD11 LEU A 116 0.963 -22.332 -28.733 1.00 63.43 H new ATOM 0 HD12 LEU A 116 2.356 -22.174 -27.636 1.00 63.43 H new ATOM 0 HD13 LEU A 116 2.556 -21.871 -29.378 1.00 63.43 H new ATOM 0 HD21 LEU A 116 0.810 -24.239 -30.288 1.00 70.40 H new ATOM 0 HD22 LEU A 116 2.398 -23.854 -30.994 1.00 70.40 H new ATOM 0 HD23 LEU A 116 2.090 -25.475 -30.327 1.00 70.40 H new ATOM 1502 N LEU A 117 6.593 -22.192 -28.661 1.00 55.31 N ATOM 1503 CA LEU A 117 7.239 -21.056 -28.013 1.00 42.12 C ATOM 1504 C LEU A 117 7.803 -20.088 -29.049 1.00 62.10 C ATOM 1505 O LEU A 117 7.524 -18.891 -29.010 1.00 5.34 O ATOM 1506 CB LEU A 117 8.357 -21.539 -27.088 1.00 34.35 C ATOM 1507 CG LEU A 117 8.702 -20.620 -25.915 1.00 74.54 C ATOM 1508 CD1 LEU A 117 7.629 -20.702 -24.840 1.00 22.45 C ATOM 1509 CD2 LEU A 117 10.064 -20.978 -25.340 1.00 43.24 C ATOM 0 H LEU A 117 7.200 -23.000 -28.799 1.00 55.31 H new ATOM 0 HA LEU A 117 6.489 -20.531 -27.422 1.00 42.12 H new ATOM 0 HB2 LEU A 117 8.076 -22.514 -26.689 1.00 34.35 H new ATOM 0 HB3 LEU A 117 9.257 -21.686 -27.685 1.00 34.35 H new ATOM 0 HG LEU A 117 8.743 -19.594 -26.281 1.00 74.54 H new ATOM 0 HD11 LEU A 117 7.891 -20.042 -24.013 1.00 22.45 H new ATOM 0 HD12 LEU A 117 6.670 -20.396 -25.259 1.00 22.45 H new ATOM 0 HD13 LEU A 117 7.556 -21.727 -24.477 1.00 22.45 H new ATOM 0 HD21 LEU A 117 10.293 -20.314 -24.506 1.00 43.24 H new ATOM 0 HD22 LEU A 117 10.051 -22.010 -24.989 1.00 43.24 H new ATOM 0 HD23 LEU A 117 10.825 -20.867 -26.112 1.00 43.24 H new ATOM 1521 N GLN A 118 8.597 -20.617 -29.975 1.00 30.44 N ATOM 1522 CA GLN A 118 9.199 -19.801 -31.022 1.00 3.44 C ATOM 1523 C GLN A 118 8.130 -19.054 -31.813 1.00 22.44 C ATOM 1524 O GLN A 118 8.338 -17.919 -32.242 1.00 32.50 O ATOM 1525 CB GLN A 118 10.032 -20.673 -31.963 1.00 0.35 C ATOM 1526 CG GLN A 118 9.197 -21.463 -32.958 1.00 43.52 C ATOM 1527 CD GLN A 118 10.046 -22.250 -33.936 1.00 40.02 C ATOM 1528 OE1 GLN A 118 10.323 -23.431 -33.725 1.00 25.41 O ATOM 1529 NE2 GLN A 118 10.464 -21.599 -35.016 1.00 33.14 N ATOM 0 H GLN A 118 8.838 -21.607 -30.021 1.00 30.44 H new ATOM 0 HA GLN A 118 9.851 -19.068 -30.546 1.00 3.44 H new ATOM 0 HB2 GLN A 118 10.730 -20.039 -32.510 1.00 0.35 H new ATOM 0 HB3 GLN A 118 10.628 -21.367 -31.370 1.00 0.35 H new ATOM 0 HG2 GLN A 118 8.544 -22.148 -32.416 1.00 43.52 H new ATOM 0 HG3 GLN A 118 8.553 -20.779 -33.510 1.00 43.52 H new ATOM 0 HE21 GLN A 118 10.211 -20.620 -35.151 1.00 33.14 H new ATOM 0 HE22 GLN A 118 11.038 -22.078 -35.710 1.00 33.14 H new ATOM 1538 N LYS A 119 6.984 -19.700 -32.003 1.00 54.55 N ATOM 1539 CA LYS A 119 5.881 -19.098 -32.742 1.00 54.12 C ATOM 1540 C LYS A 119 5.165 -18.051 -31.895 1.00 12.20 C ATOM 1541 O LYS A 119 4.537 -17.133 -32.424 1.00 4.34 O ATOM 1542 CB LYS A 119 4.888 -20.176 -33.184 1.00 61.00 C ATOM 1543 CG LYS A 119 4.307 -20.977 -32.032 1.00 72.45 C ATOM 1544 CD LYS A 119 3.041 -20.336 -31.490 1.00 12.21 C ATOM 1545 CE LYS A 119 1.796 -21.056 -31.983 1.00 54.21 C ATOM 1546 NZ LYS A 119 0.570 -20.597 -31.271 1.00 11.24 N ATOM 0 H LYS A 119 6.795 -20.640 -31.655 1.00 54.55 H new ATOM 0 HA LYS A 119 6.293 -18.607 -33.624 1.00 54.12 H new ATOM 0 HB2 LYS A 119 4.074 -19.704 -33.735 1.00 61.00 H new ATOM 0 HB3 LYS A 119 5.387 -20.857 -33.874 1.00 61.00 H new ATOM 0 HG2 LYS A 119 4.088 -21.991 -32.367 1.00 72.45 H new ATOM 0 HG3 LYS A 119 5.046 -21.057 -31.234 1.00 72.45 H new ATOM 0 HD2 LYS A 119 3.063 -20.350 -30.400 1.00 12.21 H new ATOM 0 HD3 LYS A 119 3.002 -19.290 -31.795 1.00 12.21 H new ATOM 0 HE2 LYS A 119 1.679 -20.887 -33.053 1.00 54.21 H new ATOM 0 HE3 LYS A 119 1.918 -22.130 -31.841 1.00 54.21 H new ATOM 0 HZ1 LYS A 119 -0.257 -21.112 -31.636 1.00 11.24 H new ATOM 0 HZ2 LYS A 119 0.671 -20.781 -30.252 1.00 11.24 H new ATOM 0 HZ3 LYS A 119 0.439 -19.577 -31.427 1.00 11.24 H new ATOM 1560 N LEU A 120 5.264 -18.194 -30.577 1.00 43.54 N ATOM 1561 CA LEU A 120 4.629 -17.258 -29.657 1.00 35.21 C ATOM 1562 C LEU A 120 5.422 -15.959 -29.565 1.00 1.30 C ATOM 1563 O LEU A 120 4.855 -14.867 -29.624 1.00 51.33 O ATOM 1564 CB LEU A 120 4.497 -17.888 -28.268 1.00 71.15 C ATOM 1565 CG LEU A 120 3.745 -17.062 -27.225 1.00 22.42 C ATOM 1566 CD1 LEU A 120 2.344 -17.615 -27.015 1.00 73.12 C ATOM 1567 CD2 LEU A 120 4.513 -17.036 -25.911 1.00 74.40 C ATOM 0 H LEU A 120 5.778 -18.949 -30.123 1.00 43.54 H new ATOM 0 HA LEU A 120 3.635 -17.028 -30.042 1.00 35.21 H new ATOM 0 HB2 LEU A 120 3.993 -18.849 -28.373 1.00 71.15 H new ATOM 0 HB3 LEU A 120 5.498 -18.093 -27.887 1.00 71.15 H new ATOM 0 HG LEU A 120 3.658 -16.040 -27.593 1.00 22.42 H new ATOM 0 HD11 LEU A 120 1.824 -17.014 -26.269 1.00 73.12 H new ATOM 0 HD12 LEU A 120 1.795 -17.581 -27.956 1.00 73.12 H new ATOM 0 HD13 LEU A 120 2.408 -18.647 -26.669 1.00 73.12 H new ATOM 0 HD21 LEU A 120 3.963 -16.443 -25.180 1.00 74.40 H new ATOM 0 HD22 LEU A 120 4.631 -18.054 -25.538 1.00 74.40 H new ATOM 0 HD23 LEU A 120 5.495 -16.592 -26.072 1.00 74.40 H new ATOM 1579 N LEU A 121 6.737 -16.084 -29.423 1.00 51.10 N ATOM 1580 CA LEU A 121 7.610 -14.919 -29.326 1.00 15.31 C ATOM 1581 C LEU A 121 7.790 -14.259 -30.689 1.00 44.23 C ATOM 1582 O LEU A 121 8.122 -13.076 -30.777 1.00 33.40 O ATOM 1583 CB LEU A 121 8.971 -15.323 -28.758 1.00 63.34 C ATOM 1584 CG LEU A 121 8.943 -16.266 -27.554 1.00 42.10 C ATOM 1585 CD1 LEU A 121 10.350 -16.495 -27.023 1.00 2.43 C ATOM 1586 CD2 LEU A 121 8.043 -15.707 -26.461 1.00 65.41 C ATOM 0 H LEU A 121 7.222 -16.980 -29.372 1.00 51.10 H new ATOM 0 HA LEU A 121 7.142 -14.200 -28.654 1.00 15.31 H new ATOM 0 HB2 LEU A 121 9.547 -15.797 -29.552 1.00 63.34 H new ATOM 0 HB3 LEU A 121 9.506 -14.418 -28.473 1.00 63.34 H new ATOM 0 HG LEU A 121 8.538 -17.225 -27.876 1.00 42.10 H new ATOM 0 HD11 LEU A 121 10.311 -17.168 -26.167 1.00 2.43 H new ATOM 0 HD12 LEU A 121 10.966 -16.938 -27.805 1.00 2.43 H new ATOM 0 HD13 LEU A 121 10.783 -15.543 -26.716 1.00 2.43 H new ATOM 0 HD21 LEU A 121 8.034 -16.390 -25.612 1.00 65.41 H new ATOM 0 HD22 LEU A 121 8.420 -14.735 -26.141 1.00 65.41 H new ATOM 0 HD23 LEU A 121 7.030 -15.594 -26.846 1.00 65.41 H new ATOM 1598 N GLN A 122 7.567 -15.029 -31.749 1.00 34.14 N ATOM 1599 CA GLN A 122 7.703 -14.517 -33.107 1.00 24.33 C ATOM 1600 C GLN A 122 6.532 -13.610 -33.467 1.00 71.35 C ATOM 1601 O GLN A 122 6.653 -12.734 -34.323 1.00 22.31 O ATOM 1602 CB GLN A 122 7.793 -15.675 -34.103 1.00 64.23 C ATOM 1603 CG GLN A 122 9.215 -16.148 -34.361 1.00 11.42 C ATOM 1604 CD GLN A 122 9.964 -15.248 -35.325 1.00 33.24 C ATOM 1605 OE1 GLN A 122 9.479 -14.950 -36.417 1.00 43.22 O ATOM 1606 NE2 GLN A 122 11.152 -14.810 -34.925 1.00 71.45 N ATOM 0 H GLN A 122 7.291 -16.009 -31.693 1.00 34.14 H new ATOM 0 HA GLN A 122 8.620 -13.931 -33.158 1.00 24.33 H new ATOM 0 HB2 GLN A 122 7.203 -16.512 -33.729 1.00 64.23 H new ATOM 0 HB3 GLN A 122 7.345 -15.366 -35.047 1.00 64.23 H new ATOM 0 HG2 GLN A 122 9.756 -16.192 -33.416 1.00 11.42 H new ATOM 0 HG3 GLN A 122 9.190 -17.162 -34.761 1.00 11.42 H new ATOM 0 HE21 GLN A 122 11.515 -15.082 -34.012 1.00 71.45 H new ATOM 0 HE22 GLN A 122 11.702 -14.201 -35.531 1.00 71.45 H new ATOM 1615 N ASP A 123 5.398 -13.828 -32.809 1.00 41.35 N ATOM 1616 CA ASP A 123 4.204 -13.029 -33.060 1.00 61.34 C ATOM 1617 C ASP A 123 3.052 -13.479 -32.167 1.00 1.53 C ATOM 1618 O ASP A 123 2.422 -12.664 -31.492 1.00 53.14 O ATOM 1619 CB ASP A 123 3.795 -13.131 -34.531 1.00 25.32 C ATOM 1620 CG ASP A 123 3.362 -11.797 -35.105 1.00 73.33 C ATOM 1621 OD1 ASP A 123 2.177 -11.439 -34.945 1.00 31.02 O ATOM 1622 OD2 ASP A 123 4.209 -11.112 -35.717 1.00 14.54 O ATOM 0 H ASP A 123 5.281 -14.551 -32.099 1.00 41.35 H new ATOM 0 HA ASP A 123 4.437 -11.990 -32.827 1.00 61.34 H new ATOM 0 HB2 ASP A 123 4.632 -13.519 -35.112 1.00 25.32 H new ATOM 0 HB3 ASP A 123 2.980 -13.848 -34.630 1.00 25.32 H new ATOM 1627 N ASP A 124 2.781 -14.779 -32.168 1.00 65.54 N ATOM 1628 CA ASP A 124 1.706 -15.338 -31.358 1.00 60.13 C ATOM 1629 C ASP A 124 1.625 -16.851 -31.531 1.00 32.13 C ATOM 1630 O ASP A 124 1.212 -17.345 -32.581 1.00 63.32 O ATOM 1631 CB ASP A 124 0.369 -14.697 -31.736 1.00 22.24 C ATOM 1632 CG ASP A 124 -0.350 -14.111 -30.537 1.00 52.50 C ATOM 1633 OD1 ASP A 124 -0.938 -14.889 -29.758 1.00 23.21 O ATOM 1634 OD2 ASP A 124 -0.325 -12.872 -30.379 1.00 32.12 O ATOM 0 H ASP A 124 3.292 -15.466 -32.722 1.00 65.54 H new ATOM 0 HA ASP A 124 1.922 -15.121 -30.312 1.00 60.13 H new ATOM 0 HB2 ASP A 124 0.541 -13.912 -32.473 1.00 22.24 H new ATOM 0 HB3 ASP A 124 -0.268 -15.444 -32.209 1.00 22.24 H new TER 1639 ASP A 124