USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=25 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= 0.439 F(o=-0.39,f=0.91) USER MOD Set 1.2: A 114 ASN :FLIP amide:sc= 0.47 F(o=-0.91,f=0.91) USER MOD Set 2.1: A 60 SER OG : rot -115:sc= 0.375 USER MOD Set 2.2: A 112 HIS : no HE2:sc= -1.59 K(o=-1.2,f=-3.5!) USER MOD Set 3.1: A 87 SER OG : rot -132:sc= 0.962 USER MOD Set 3.2: A 89 GLN :FLIP amide:sc= -0.811 F(o=-2.1,f=0.15) USER MOD Set 4.1: A 80 GLN : amide:sc= -1.22 K(o=-2.4,f=-5.5!) USER MOD Set 4.2: A 84 THR OG1 : rot -140:sc= -1.15 USER MOD Set 5.1: A 44 SER OG : rot 21:sc= 1.34 USER MOD Set 5.2: A 51 SER OG : rot 180:sc= 0.488 USER MOD Set 5.3: A 52 THR OG1 : rot -11:sc= 1.17 USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 41 MET CE :methyl -156:sc= -4.41! (180deg=-5.91!) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= 0.191 (180deg=0.06) 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 5:sc= -0.698 USER MOD Single : A 50 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.84) USER MOD Single : A 55 LYS NZ :NH3+ -115:sc= -1.58! (180deg=-4.25!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -72:sc= 0.208 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 72 GLN :FLIP amide:sc= 1.11 F(o=-0.17,f=1.1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.013) USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= -0.0393 (180deg=-0.254) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0851 USER MOD Single : A 94 ASN : amide:sc= -2.02 K(o=-2,f=-3.4) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0.086) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.475 X(o=-0.48,f=-0.14) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -139:sc= -1.53 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.2!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.0596 X(o=-0.06,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 23 -0.248 -1.244 0.106 1.00 40.01 N ATOM 2 CA ALA A 23 0.843 -1.025 -0.835 1.00 20.42 C ATOM 3 C ALA A 23 1.200 -2.312 -1.572 1.00 34.45 C ATOM 4 O ALA A 23 1.821 -2.279 -2.634 1.00 51.32 O ATOM 5 CB ALA A 23 2.063 -0.476 -0.110 1.00 44.42 C ATOM 0 HA ALA A 23 0.512 -0.294 -1.573 1.00 20.42 H new ATOM 0 HB1 ALA A 23 2.870 -0.317 -0.825 1.00 44.42 H new ATOM 0 HB2 ALA A 23 1.808 0.471 0.366 1.00 44.42 H new ATOM 0 HB3 ALA A 23 2.386 -1.188 0.649 1.00 44.42 H new ATOM 11 N ARG A 24 0.803 -3.445 -1.001 1.00 12.54 N ATOM 12 CA ARG A 24 1.082 -4.742 -1.603 1.00 34.23 C ATOM 13 C ARG A 24 0.641 -4.770 -3.063 1.00 71.11 C ATOM 14 O ARG A 24 1.232 -5.469 -3.885 1.00 73.33 O ATOM 15 CB ARG A 24 0.372 -5.852 -0.824 1.00 23.25 C ATOM 16 CG ARG A 24 -1.131 -5.883 -1.040 1.00 11.42 C ATOM 17 CD ARG A 24 -1.806 -6.887 -0.118 1.00 3.13 C ATOM 18 NE ARG A 24 -1.449 -6.671 1.281 1.00 14.02 N ATOM 19 CZ ARG A 24 -1.708 -7.544 2.249 1.00 35.43 C ATOM 20 NH1 ARG A 24 -2.323 -8.686 1.970 1.00 44.43 N ATOM 21 NH2 ARG A 24 -1.353 -7.276 3.499 1.00 24.30 N ATOM 0 H ARG A 24 0.287 -3.490 -0.122 1.00 12.54 H new ATOM 0 HA ARG A 24 2.158 -4.909 -1.563 1.00 34.23 H new ATOM 0 HB2 ARG A 24 0.792 -6.815 -1.116 1.00 23.25 H new ATOM 0 HB3 ARG A 24 0.575 -5.725 0.239 1.00 23.25 H new ATOM 0 HG2 ARG A 24 -1.545 -4.890 -0.864 1.00 11.42 H new ATOM 0 HG3 ARG A 24 -1.345 -6.139 -2.078 1.00 11.42 H new ATOM 0 HD2 ARG A 24 -2.888 -6.813 -0.232 1.00 3.13 H new ATOM 0 HD3 ARG A 24 -1.523 -7.897 -0.413 1.00 3.13 H new ATOM 0 HE ARG A 24 -0.975 -5.803 1.529 1.00 14.02 H new ATOM 0 HH11 ARG A 24 -2.598 -8.896 1.011 1.00 44.43 H new ATOM 0 HH12 ARG A 24 -2.520 -9.354 2.715 1.00 44.43 H new ATOM 0 HH21 ARG A 24 -0.881 -6.399 3.718 1.00 24.30 H new ATOM 0 HH22 ARG A 24 -1.552 -7.947 4.241 1.00 24.30 H new ATOM 35 N GLU A 25 -0.400 -4.006 -3.376 1.00 52.24 N ATOM 36 CA GLU A 25 -0.920 -3.944 -4.738 1.00 35.41 C ATOM 37 C GLU A 25 -0.021 -3.088 -5.625 1.00 62.30 C ATOM 38 O GLU A 25 0.162 -3.381 -6.806 1.00 33.31 O ATOM 39 CB GLU A 25 -2.343 -3.381 -4.740 1.00 32.32 C ATOM 40 CG GLU A 25 -3.347 -4.268 -5.456 1.00 40.33 C ATOM 41 CD GLU A 25 -4.602 -4.508 -4.639 1.00 1.31 C ATOM 42 OE1 GLU A 25 -4.566 -5.369 -3.736 1.00 32.11 O ATOM 43 OE2 GLU A 25 -5.619 -3.833 -4.903 1.00 62.32 O ATOM 0 H GLU A 25 -0.900 -3.422 -2.706 1.00 52.24 H new ATOM 0 HA GLU A 25 -0.938 -4.957 -5.139 1.00 35.41 H new ATOM 0 HB2 GLU A 25 -2.669 -3.236 -3.710 1.00 32.32 H new ATOM 0 HB3 GLU A 25 -2.336 -2.399 -5.213 1.00 32.32 H new ATOM 0 HG2 GLU A 25 -3.619 -3.808 -6.406 1.00 40.33 H new ATOM 0 HG3 GLU A 25 -2.880 -5.225 -5.687 1.00 40.33 H new ATOM 50 N GLU A 26 0.536 -2.030 -5.046 1.00 42.15 N ATOM 51 CA GLU A 26 1.415 -1.130 -5.785 1.00 72.32 C ATOM 52 C GLU A 26 2.546 -1.904 -6.456 1.00 33.11 C ATOM 53 O GLU A 26 2.738 -1.818 -7.669 1.00 45.32 O ATOM 54 CB GLU A 26 1.993 -0.066 -4.851 1.00 43.33 C ATOM 55 CG GLU A 26 2.589 1.126 -5.582 1.00 4.21 C ATOM 56 CD GLU A 26 1.926 2.436 -5.200 1.00 23.13 C ATOM 57 OE1 GLU A 26 1.981 2.802 -4.008 1.00 13.41 O ATOM 58 OE2 GLU A 26 1.352 3.092 -6.094 1.00 0.31 O ATOM 0 H GLU A 26 0.395 -1.774 -4.069 1.00 42.15 H new ATOM 0 HA GLU A 26 0.824 -0.640 -6.559 1.00 72.32 H new ATOM 0 HB2 GLU A 26 1.207 0.284 -4.182 1.00 43.33 H new ATOM 0 HB3 GLU A 26 2.762 -0.521 -4.227 1.00 43.33 H new ATOM 0 HG2 GLU A 26 3.655 1.185 -5.363 1.00 4.21 H new ATOM 0 HG3 GLU A 26 2.492 0.974 -6.657 1.00 4.21 H new ATOM 65 N LEU A 27 3.293 -2.659 -5.658 1.00 30.21 N ATOM 66 CA LEU A 27 4.406 -3.448 -6.173 1.00 31.43 C ATOM 67 C LEU A 27 3.953 -4.347 -7.318 1.00 51.14 C ATOM 68 O LEU A 27 4.469 -4.258 -8.432 1.00 21.10 O ATOM 69 CB LEU A 27 5.016 -4.296 -5.054 1.00 52.34 C ATOM 70 CG LEU A 27 5.905 -5.457 -5.501 1.00 70.13 C ATOM 71 CD1 LEU A 27 7.314 -5.292 -4.952 1.00 33.05 C ATOM 72 CD2 LEU A 27 5.311 -6.785 -5.058 1.00 73.25 C ATOM 0 H LEU A 27 3.148 -2.741 -4.652 1.00 30.21 H new ATOM 0 HA LEU A 27 5.161 -2.760 -6.553 1.00 31.43 H new ATOM 0 HB2 LEU A 27 5.603 -3.642 -4.409 1.00 52.34 H new ATOM 0 HB3 LEU A 27 4.205 -4.698 -4.447 1.00 52.34 H new ATOM 0 HG LEU A 27 5.958 -5.451 -6.590 1.00 70.13 H new ATOM 0 HD11 LEU A 27 7.933 -6.127 -5.280 1.00 33.05 H new ATOM 0 HD12 LEU A 27 7.740 -4.358 -5.319 1.00 33.05 H new ATOM 0 HD13 LEU A 27 7.280 -5.272 -3.863 1.00 33.05 H new ATOM 0 HD21 LEU A 27 5.957 -7.600 -5.385 1.00 73.25 H new ATOM 0 HD22 LEU A 27 5.227 -6.802 -3.971 1.00 73.25 H new ATOM 0 HD23 LEU A 27 4.322 -6.907 -5.500 1.00 73.25 H new ATOM 84 N ARG A 28 2.983 -5.211 -7.037 1.00 12.32 N ATOM 85 CA ARG A 28 2.458 -6.125 -8.044 1.00 22.20 C ATOM 86 C ARG A 28 2.066 -5.371 -9.312 1.00 64.41 C ATOM 87 O ARG A 28 2.280 -5.854 -10.424 1.00 31.33 O ATOM 88 CB ARG A 28 1.250 -6.884 -7.495 1.00 34.42 C ATOM 89 CG ARG A 28 1.068 -8.266 -8.104 1.00 43.52 C ATOM 90 CD ARG A 28 0.777 -8.183 -9.594 1.00 43.30 C ATOM 91 NE ARG A 28 -0.254 -9.132 -10.004 1.00 11.22 N ATOM 92 CZ ARG A 28 -0.083 -10.449 -10.002 1.00 72.22 C ATOM 93 NH1 ARG A 28 1.073 -10.971 -9.615 1.00 10.54 N ATOM 94 NH2 ARG A 28 -1.069 -11.248 -10.388 1.00 74.03 N ATOM 0 H ARG A 28 2.545 -5.297 -6.120 1.00 12.32 H new ATOM 0 HA ARG A 28 3.243 -6.839 -8.295 1.00 22.20 H new ATOM 0 HB2 ARG A 28 1.355 -6.984 -6.415 1.00 34.42 H new ATOM 0 HB3 ARG A 28 0.350 -6.296 -7.675 1.00 34.42 H new ATOM 0 HG2 ARG A 28 1.968 -8.859 -7.940 1.00 43.52 H new ATOM 0 HG3 ARG A 28 0.251 -8.782 -7.601 1.00 43.52 H new ATOM 0 HD2 ARG A 28 0.459 -7.171 -9.845 1.00 43.30 H new ATOM 0 HD3 ARG A 28 1.692 -8.378 -10.153 1.00 43.30 H new ATOM 0 HE ARG A 28 -1.155 -8.763 -10.309 1.00 11.22 H new ATOM 0 HH11 ARG A 28 1.834 -10.361 -9.318 1.00 10.54 H new ATOM 0 HH12 ARG A 28 1.201 -11.983 -9.615 1.00 10.54 H new ATOM 0 HH21 ARG A 28 -1.960 -10.851 -10.687 1.00 74.03 H new ATOM 0 HH22 ARG A 28 -0.936 -12.259 -10.386 1.00 74.03 H new ATOM 108 N ARG A 29 1.493 -4.186 -9.136 1.00 32.53 N ATOM 109 CA ARG A 29 1.069 -3.367 -10.264 1.00 2.41 C ATOM 110 C ARG A 29 2.227 -3.132 -11.230 1.00 24.02 C ATOM 111 O ARG A 29 2.018 -2.920 -12.425 1.00 0.41 O ATOM 112 CB ARG A 29 0.523 -2.025 -9.772 1.00 2.24 C ATOM 113 CG ARG A 29 -0.948 -1.812 -10.090 1.00 32.41 C ATOM 114 CD ARG A 29 -1.732 -1.402 -8.854 1.00 14.23 C ATOM 115 NE ARG A 29 -3.125 -1.837 -8.920 1.00 71.21 N ATOM 116 CZ ARG A 29 -4.087 -1.340 -8.150 1.00 44.24 C ATOM 117 NH1 ARG A 29 -3.809 -0.396 -7.262 1.00 63.21 N ATOM 118 NH2 ARG A 29 -5.330 -1.787 -8.270 1.00 14.10 N ATOM 0 H ARG A 29 1.311 -3.771 -8.222 1.00 32.53 H new ATOM 0 HA ARG A 29 0.279 -3.902 -10.792 1.00 2.41 H new ATOM 0 HB2 ARG A 29 0.666 -1.958 -8.694 1.00 2.24 H new ATOM 0 HB3 ARG A 29 1.103 -1.219 -10.222 1.00 2.24 H new ATOM 0 HG2 ARG A 29 -1.048 -1.044 -10.857 1.00 32.41 H new ATOM 0 HG3 ARG A 29 -1.369 -2.730 -10.501 1.00 32.41 H new ATOM 0 HD2 ARG A 29 -1.261 -1.828 -7.968 1.00 14.23 H new ATOM 0 HD3 ARG A 29 -1.695 -0.318 -8.745 1.00 14.23 H new ATOM 0 HE ARG A 29 -3.373 -2.562 -9.594 1.00 71.21 H new ATOM 0 HH11 ARG A 29 -2.854 -0.049 -7.168 1.00 63.21 H new ATOM 0 HH12 ARG A 29 -4.550 -0.016 -6.672 1.00 63.21 H new ATOM 0 HH21 ARG A 29 -5.547 -2.512 -8.953 1.00 14.10 H new ATOM 0 HH22 ARG A 29 -6.068 -1.405 -7.679 1.00 14.10 H new ATOM 132 N ARG A 30 3.447 -3.173 -10.705 1.00 61.10 N ATOM 133 CA ARG A 30 4.638 -2.963 -11.520 1.00 31.32 C ATOM 134 C ARG A 30 5.094 -4.270 -12.161 1.00 60.45 C ATOM 135 O ARG A 30 5.628 -4.277 -13.271 1.00 44.42 O ATOM 136 CB ARG A 30 5.767 -2.379 -10.670 1.00 14.24 C ATOM 137 CG ARG A 30 6.540 -1.269 -11.365 1.00 21.24 C ATOM 138 CD ARG A 30 7.885 -1.025 -10.698 1.00 72.02 C ATOM 139 NE ARG A 30 7.877 0.181 -9.875 1.00 21.25 N ATOM 140 CZ ARG A 30 8.881 0.534 -9.080 1.00 20.34 C ATOM 141 NH1 ARG A 30 9.966 -0.224 -8.999 1.00 41.55 N ATOM 142 NH2 ARG A 30 8.800 1.647 -8.361 1.00 71.31 N ATOM 0 H ARG A 30 3.637 -3.350 -9.719 1.00 61.10 H new ATOM 0 HA ARG A 30 4.387 -2.257 -12.312 1.00 31.32 H new ATOM 0 HB2 ARG A 30 5.348 -1.992 -9.741 1.00 14.24 H new ATOM 0 HB3 ARG A 30 6.458 -3.178 -10.400 1.00 14.24 H new ATOM 0 HG2 ARG A 30 6.694 -1.532 -12.412 1.00 21.24 H new ATOM 0 HG3 ARG A 30 5.953 -0.351 -11.350 1.00 21.24 H new ATOM 0 HD2 ARG A 30 8.144 -1.884 -10.079 1.00 72.02 H new ATOM 0 HD3 ARG A 30 8.658 -0.938 -11.462 1.00 72.02 H new ATOM 0 HE ARG A 30 7.056 0.785 -9.913 1.00 21.25 H new ATOM 0 HH11 ARG A 30 10.032 -1.081 -9.548 1.00 41.55 H new ATOM 0 HH12 ARG A 30 10.735 0.050 -8.388 1.00 41.55 H new ATOM 0 HH21 ARG A 30 7.966 2.232 -8.419 1.00 71.31 H new ATOM 0 HH22 ARG A 30 9.571 1.917 -7.751 1.00 71.31 H new ATOM 156 N LEU A 31 4.881 -5.376 -11.456 1.00 14.22 N ATOM 157 CA LEU A 31 5.270 -6.689 -11.957 1.00 31.22 C ATOM 158 C LEU A 31 4.389 -7.110 -13.129 1.00 13.34 C ATOM 159 O LEU A 31 4.853 -7.760 -14.065 1.00 42.31 O ATOM 160 CB LEU A 31 5.180 -7.730 -10.838 1.00 4.03 C ATOM 161 CG LEU A 31 5.696 -7.289 -9.468 1.00 11.50 C ATOM 162 CD1 LEU A 31 5.433 -8.365 -8.426 1.00 75.12 C ATOM 163 CD2 LEU A 31 7.181 -6.961 -9.536 1.00 72.51 C ATOM 0 H LEU A 31 4.441 -5.389 -10.536 1.00 14.22 H new ATOM 0 HA LEU A 31 6.301 -6.626 -12.306 1.00 31.22 H new ATOM 0 HB2 LEU A 31 4.138 -8.031 -10.732 1.00 4.03 H new ATOM 0 HB3 LEU A 31 5.737 -8.615 -11.146 1.00 4.03 H new ATOM 0 HG LEU A 31 5.159 -6.388 -9.173 1.00 11.50 H new ATOM 0 HD11 LEU A 31 5.807 -8.033 -7.458 1.00 75.12 H new ATOM 0 HD12 LEU A 31 4.361 -8.550 -8.357 1.00 75.12 H new ATOM 0 HD13 LEU A 31 5.942 -9.284 -8.716 1.00 75.12 H new ATOM 0 HD21 LEU A 31 7.530 -6.649 -8.552 1.00 72.51 H new ATOM 0 HD22 LEU A 31 7.735 -7.844 -9.854 1.00 72.51 H new ATOM 0 HD23 LEU A 31 7.343 -6.154 -10.251 1.00 72.51 H new ATOM 175 N ARG A 32 3.116 -6.731 -13.071 1.00 33.05 N ATOM 176 CA ARG A 32 2.170 -7.068 -14.128 1.00 43.21 C ATOM 177 C ARG A 32 2.239 -6.050 -15.263 1.00 45.30 C ATOM 178 O ARG A 32 1.988 -6.380 -16.423 1.00 33.25 O ATOM 179 CB ARG A 32 0.747 -7.128 -13.568 1.00 44.51 C ATOM 180 CG ARG A 32 -0.139 -8.147 -14.265 1.00 24.50 C ATOM 181 CD ARG A 32 -1.189 -8.710 -13.321 1.00 72.43 C ATOM 182 NE ARG A 32 -2.533 -8.252 -13.662 1.00 72.35 N ATOM 183 CZ ARG A 32 -3.267 -8.788 -14.631 1.00 53.12 C ATOM 184 NH1 ARG A 32 -2.790 -9.794 -15.350 1.00 72.33 N ATOM 185 NH2 ARG A 32 -4.482 -8.317 -14.883 1.00 22.12 N ATOM 0 H ARG A 32 2.716 -6.191 -12.304 1.00 33.05 H new ATOM 0 HA ARG A 32 2.439 -8.047 -14.524 1.00 43.21 H new ATOM 0 HB2 ARG A 32 0.794 -7.366 -12.505 1.00 44.51 H new ATOM 0 HB3 ARG A 32 0.290 -6.142 -13.654 1.00 44.51 H new ATOM 0 HG2 ARG A 32 -0.629 -7.681 -15.120 1.00 24.50 H new ATOM 0 HG3 ARG A 32 0.475 -8.959 -14.654 1.00 24.50 H new ATOM 0 HD2 ARG A 32 -1.158 -9.799 -13.353 1.00 72.43 H new ATOM 0 HD3 ARG A 32 -0.954 -8.414 -12.299 1.00 72.43 H new ATOM 0 HE ARG A 32 -2.930 -7.479 -13.128 1.00 72.35 H new ATOM 0 HH11 ARG A 32 -1.857 -10.159 -15.160 1.00 72.33 H new ATOM 0 HH12 ARG A 32 -3.356 -10.203 -16.093 1.00 72.33 H new ATOM 0 HH21 ARG A 32 -4.853 -7.543 -14.332 1.00 22.12 H new ATOM 0 HH22 ARG A 32 -5.045 -8.729 -15.627 1.00 22.12 H new ATOM 199 N ASP A 33 2.581 -4.812 -14.921 1.00 33.11 N ATOM 200 CA ASP A 33 2.684 -3.747 -15.911 1.00 52.32 C ATOM 201 C ASP A 33 4.011 -3.826 -16.659 1.00 54.23 C ATOM 202 O ASP A 33 4.078 -3.550 -17.858 1.00 63.01 O ATOM 203 CB ASP A 33 2.544 -2.381 -15.238 1.00 52.42 C ATOM 204 CG ASP A 33 2.458 -1.247 -16.241 1.00 12.14 C ATOM 205 OD1 ASP A 33 3.516 -0.832 -16.758 1.00 14.55 O ATOM 206 OD2 ASP A 33 1.333 -0.775 -16.509 1.00 1.04 O ATOM 0 H ASP A 33 2.791 -4.522 -13.966 1.00 33.11 H new ATOM 0 HA ASP A 33 1.875 -3.874 -16.630 1.00 52.32 H new ATOM 0 HB2 ASP A 33 1.651 -2.377 -14.612 1.00 52.42 H new ATOM 0 HB3 ASP A 33 3.396 -2.215 -14.579 1.00 52.42 H new ATOM 211 N LEU A 34 5.065 -4.202 -15.944 1.00 62.24 N ATOM 212 CA LEU A 34 6.392 -4.316 -16.539 1.00 23.52 C ATOM 213 C LEU A 34 6.377 -5.279 -17.723 1.00 2.32 C ATOM 214 O LEU A 34 7.249 -5.224 -18.590 1.00 43.02 O ATOM 215 CB LEU A 34 7.402 -4.792 -15.494 1.00 4.23 C ATOM 216 CG LEU A 34 8.780 -5.190 -16.024 1.00 42.21 C ATOM 217 CD1 LEU A 34 9.325 -4.117 -16.955 1.00 31.21 C ATOM 218 CD2 LEU A 34 9.744 -5.439 -14.873 1.00 31.32 C ATOM 0 H LEU A 34 5.027 -4.433 -14.951 1.00 62.24 H new ATOM 0 HA LEU A 34 6.687 -3.330 -16.899 1.00 23.52 H new ATOM 0 HB2 LEU A 34 7.533 -3.999 -14.758 1.00 4.23 H new ATOM 0 HB3 LEU A 34 6.976 -5.647 -14.969 1.00 4.23 H new ATOM 0 HG LEU A 34 8.676 -6.115 -16.591 1.00 42.21 H new ATOM 0 HD11 LEU A 34 10.306 -4.418 -17.322 1.00 31.21 H new ATOM 0 HD12 LEU A 34 8.646 -3.988 -17.798 1.00 31.21 H new ATOM 0 HD13 LEU A 34 9.414 -3.176 -16.413 1.00 31.21 H new ATOM 0 HD21 LEU A 34 10.719 -5.721 -15.270 1.00 31.32 H new ATOM 0 HD22 LEU A 34 9.843 -4.531 -14.278 1.00 31.32 H new ATOM 0 HD23 LEU A 34 9.361 -6.244 -14.245 1.00 31.32 H new ATOM 230 N ILE A 35 5.380 -6.157 -17.752 1.00 25.10 N ATOM 231 CA ILE A 35 5.250 -7.129 -18.830 1.00 64.11 C ATOM 232 C ILE A 35 4.654 -6.488 -20.078 1.00 54.41 C ATOM 233 O ILE A 35 4.888 -6.947 -21.196 1.00 14.40 O ATOM 234 CB ILE A 35 4.372 -8.322 -18.410 1.00 25.35 C ATOM 235 CG1 ILE A 35 4.969 -9.015 -17.183 1.00 12.03 C ATOM 236 CG2 ILE A 35 4.229 -9.306 -19.562 1.00 1.23 C ATOM 237 CD1 ILE A 35 6.411 -9.433 -17.366 1.00 32.15 C ATOM 0 H ILE A 35 4.651 -6.215 -17.041 1.00 25.10 H new ATOM 0 HA ILE A 35 6.254 -7.489 -19.053 1.00 64.11 H new ATOM 0 HB ILE A 35 3.381 -7.951 -18.149 1.00 25.35 H new ATOM 0 HG12 ILE A 35 4.900 -8.343 -16.327 1.00 12.03 H new ATOM 0 HG13 ILE A 35 4.371 -9.895 -16.947 1.00 12.03 H new ATOM 0 HG21 ILE A 35 3.606 -10.144 -19.250 1.00 1.23 H new ATOM 0 HG22 ILE A 35 3.765 -8.806 -20.412 1.00 1.23 H new ATOM 0 HG23 ILE A 35 5.214 -9.674 -19.850 1.00 1.23 H new ATOM 0 HD11 ILE A 35 6.768 -9.917 -16.457 1.00 32.15 H new ATOM 0 HD12 ILE A 35 6.485 -10.130 -18.201 1.00 32.15 H new ATOM 0 HD13 ILE A 35 7.021 -8.554 -17.572 1.00 32.15 H new ATOM 249 N GLU A 36 3.882 -5.423 -19.879 1.00 71.32 N ATOM 250 CA GLU A 36 3.252 -4.719 -20.990 1.00 11.10 C ATOM 251 C GLU A 36 4.198 -3.677 -21.580 1.00 21.02 C ATOM 252 O GLU A 36 4.289 -3.524 -22.797 1.00 41.42 O ATOM 253 CB GLU A 36 1.958 -4.046 -20.528 1.00 11.13 C ATOM 254 CG GLU A 36 0.826 -5.023 -20.256 1.00 45.12 C ATOM 255 CD GLU A 36 0.312 -4.939 -18.833 1.00 22.33 C ATOM 256 OE1 GLU A 36 0.099 -3.810 -18.344 1.00 60.43 O ATOM 257 OE2 GLU A 36 0.124 -6.004 -18.206 1.00 51.33 O ATOM 0 H GLU A 36 3.678 -5.030 -18.960 1.00 71.32 H new ATOM 0 HA GLU A 36 3.017 -5.450 -21.763 1.00 11.10 H new ATOM 0 HB2 GLU A 36 2.159 -3.475 -19.622 1.00 11.13 H new ATOM 0 HB3 GLU A 36 1.637 -3.334 -21.289 1.00 11.13 H new ATOM 0 HG2 GLU A 36 0.006 -4.825 -20.947 1.00 45.12 H new ATOM 0 HG3 GLU A 36 1.171 -6.038 -20.454 1.00 45.12 H new ATOM 264 N GLY A 37 4.901 -2.962 -20.706 1.00 31.43 N ATOM 265 CA GLY A 37 5.830 -1.944 -21.158 1.00 2.54 C ATOM 266 C GLY A 37 6.958 -2.516 -21.993 1.00 23.15 C ATOM 267 O GLY A 37 7.641 -1.787 -22.710 1.00 12.10 O ATOM 0 H GLY A 37 4.843 -3.070 -19.693 1.00 31.43 H new ATOM 0 HA2 GLY A 37 5.291 -1.199 -21.743 1.00 2.54 H new ATOM 0 HA3 GLY A 37 6.248 -1.429 -20.293 1.00 2.54 H new ATOM 271 N ASN A 38 7.156 -3.828 -21.897 1.00 13.52 N ATOM 272 CA ASN A 38 8.211 -4.498 -22.647 1.00 64.32 C ATOM 273 C ASN A 38 7.677 -5.747 -23.339 1.00 74.35 C ATOM 274 O ASN A 38 6.927 -6.525 -22.748 1.00 51.10 O ATOM 275 CB ASN A 38 9.368 -4.872 -21.718 1.00 63.41 C ATOM 276 CG ASN A 38 10.032 -3.656 -21.103 1.00 4.32 C ATOM 277 OD1 ASN A 38 9.388 -3.073 -20.099 1.00 51.50 O flip ATOM 278 ND2 ASN A 38 11.113 -3.245 -21.526 1.00 75.22 N flip ATOM 0 H ASN A 38 6.599 -4.447 -21.307 1.00 13.52 H new ATOM 0 HA ASN A 38 8.574 -3.809 -23.409 1.00 64.32 H new ATOM 0 HB2 ASN A 38 8.998 -5.521 -20.924 1.00 63.41 H new ATOM 0 HB3 ASN A 38 10.109 -5.443 -22.277 1.00 63.41 H new ATOM 0 HD21 ASN A 38 11.573 -3.724 -22.300 1.00 75.22 H new ATOM 0 HD22 ASN A 38 11.548 -2.426 -21.102 1.00 75.22 H new ATOM 285 N ARG A 39 8.067 -5.934 -24.597 1.00 13.04 N ATOM 286 CA ARG A 39 7.627 -7.088 -25.371 1.00 21.25 C ATOM 287 C ARG A 39 7.813 -8.378 -24.577 1.00 20.03 C ATOM 288 O ARG A 39 6.872 -9.154 -24.403 1.00 45.32 O ATOM 289 CB ARG A 39 8.400 -7.171 -26.687 1.00 2.01 C ATOM 290 CG ARG A 39 8.070 -8.405 -27.511 1.00 0.11 C ATOM 291 CD ARG A 39 6.571 -8.551 -27.718 1.00 73.13 C ATOM 292 NE ARG A 39 5.997 -7.394 -28.400 1.00 22.11 N ATOM 293 CZ ARG A 39 6.092 -7.191 -29.710 1.00 33.12 C ATOM 294 NH1 ARG A 39 6.733 -8.064 -30.475 1.00 73.20 N ATOM 295 NH2 ARG A 39 5.543 -6.114 -30.257 1.00 32.11 N ATOM 0 H ARG A 39 8.687 -5.300 -25.101 1.00 13.04 H new ATOM 0 HA ARG A 39 6.566 -6.965 -25.588 1.00 21.25 H new ATOM 0 HB2 ARG A 39 8.188 -6.281 -27.280 1.00 2.01 H new ATOM 0 HB3 ARG A 39 9.469 -7.163 -26.472 1.00 2.01 H new ATOM 0 HG2 ARG A 39 8.568 -8.342 -28.479 1.00 0.11 H new ATOM 0 HG3 ARG A 39 8.458 -9.292 -27.011 1.00 0.11 H new ATOM 0 HD2 ARG A 39 6.371 -9.451 -28.300 1.00 73.13 H new ATOM 0 HD3 ARG A 39 6.083 -8.681 -26.752 1.00 73.13 H new ATOM 0 HE ARG A 39 5.496 -6.704 -27.840 1.00 22.11 H new ATOM 0 HH11 ARG A 39 7.155 -8.894 -30.058 1.00 73.20 H new ATOM 0 HH12 ARG A 39 6.804 -7.906 -31.480 1.00 73.20 H new ATOM 0 HH21 ARG A 39 5.048 -5.441 -29.672 1.00 32.11 H new ATOM 0 HH22 ARG A 39 5.616 -5.959 -31.262 1.00 32.11 H new ATOM 309 N VAL A 40 9.032 -8.601 -24.096 1.00 51.12 N ATOM 310 CA VAL A 40 9.341 -9.796 -23.320 1.00 61.02 C ATOM 311 C VAL A 40 10.129 -9.446 -22.063 1.00 43.14 C ATOM 312 O VAL A 40 11.255 -8.955 -22.140 1.00 53.15 O ATOM 313 CB VAL A 40 10.148 -10.812 -24.152 1.00 11.24 C ATOM 314 CG1 VAL A 40 10.390 -12.083 -23.353 1.00 12.53 C ATOM 315 CG2 VAL A 40 9.429 -11.121 -25.457 1.00 22.32 C ATOM 0 H VAL A 40 9.822 -7.970 -24.230 1.00 51.12 H new ATOM 0 HA VAL A 40 8.389 -10.244 -23.036 1.00 61.02 H new ATOM 0 HB VAL A 40 11.116 -10.373 -24.392 1.00 11.24 H new ATOM 0 HG11 VAL A 40 10.961 -12.789 -23.956 1.00 12.53 H new ATOM 0 HG12 VAL A 40 10.949 -11.843 -22.448 1.00 12.53 H new ATOM 0 HG13 VAL A 40 9.434 -12.529 -23.081 1.00 12.53 H new ATOM 0 HG21 VAL A 40 10.012 -11.840 -26.032 1.00 22.32 H new ATOM 0 HG22 VAL A 40 8.447 -11.541 -25.241 1.00 22.32 H new ATOM 0 HG23 VAL A 40 9.312 -10.204 -26.034 1.00 22.32 H new ATOM 325 N MET A 41 9.529 -9.702 -20.906 1.00 14.24 N ATOM 326 CA MET A 41 10.175 -9.415 -19.630 1.00 4.04 C ATOM 327 C MET A 41 10.046 -10.598 -18.676 1.00 61.53 C ATOM 328 O MET A 41 8.948 -11.106 -18.447 1.00 10.43 O ATOM 329 CB MET A 41 9.565 -8.164 -18.994 1.00 62.24 C ATOM 330 CG MET A 41 10.599 -7.209 -18.418 1.00 62.33 C ATOM 331 SD MET A 41 11.635 -7.983 -17.161 1.00 50.15 S ATOM 332 CE MET A 41 10.390 -8.682 -16.080 1.00 45.23 C ATOM 0 H MET A 41 8.597 -10.108 -20.825 1.00 14.24 H new ATOM 0 HA MET A 41 11.234 -9.238 -19.820 1.00 4.04 H new ATOM 0 HB2 MET A 41 8.973 -7.637 -19.743 1.00 62.24 H new ATOM 0 HB3 MET A 41 8.880 -8.466 -18.202 1.00 62.24 H new ATOM 0 HG2 MET A 41 11.231 -6.834 -19.224 1.00 62.33 H new ATOM 0 HG3 MET A 41 10.091 -6.348 -17.985 1.00 62.33 H new ATOM 0 HE1 MET A 41 10.806 -8.810 -15.081 1.00 45.23 H new ATOM 0 HE2 MET A 41 9.532 -8.012 -16.033 1.00 45.23 H new ATOM 0 HE3 MET A 41 10.073 -9.650 -16.468 1.00 45.23 H new ATOM 342 N ILE A 42 11.174 -11.035 -18.126 1.00 12.12 N ATOM 343 CA ILE A 42 11.185 -12.158 -17.197 1.00 24.33 C ATOM 344 C ILE A 42 11.855 -11.777 -15.881 1.00 10.22 C ATOM 345 O ILE A 42 12.761 -10.943 -15.852 1.00 11.23 O ATOM 346 CB ILE A 42 11.913 -13.376 -17.797 1.00 21.14 C ATOM 347 CG1 ILE A 42 13.422 -13.255 -17.577 1.00 4.30 C ATOM 348 CG2 ILE A 42 11.596 -13.506 -19.279 1.00 33.23 C ATOM 349 CD1 ILE A 42 14.040 -12.061 -18.271 1.00 15.02 C ATOM 0 H ILE A 42 12.092 -10.629 -18.308 1.00 12.12 H new ATOM 0 HA ILE A 42 10.144 -12.422 -17.008 1.00 24.33 H new ATOM 0 HB ILE A 42 11.563 -14.276 -17.291 1.00 21.14 H new ATOM 0 HG12 ILE A 42 13.621 -13.186 -16.507 1.00 4.30 H new ATOM 0 HG13 ILE A 42 13.907 -14.164 -17.934 1.00 4.30 H new ATOM 0 HG21 ILE A 42 12.118 -14.371 -19.688 1.00 33.23 H new ATOM 0 HG22 ILE A 42 10.522 -13.634 -19.411 1.00 33.23 H new ATOM 0 HG23 ILE A 42 11.921 -12.606 -19.801 1.00 33.23 H new ATOM 0 HD11 ILE A 42 15.111 -12.038 -18.071 1.00 15.02 H new ATOM 0 HD12 ILE A 42 13.873 -12.138 -19.345 1.00 15.02 H new ATOM 0 HD13 ILE A 42 13.582 -11.145 -17.897 1.00 15.02 H new ATOM 361 N PHE A 43 11.406 -12.395 -14.794 1.00 21.11 N ATOM 362 CA PHE A 43 11.961 -12.121 -13.474 1.00 63.31 C ATOM 363 C PHE A 43 12.805 -13.296 -12.985 1.00 13.20 C ATOM 364 O PHE A 43 12.445 -14.456 -13.182 1.00 61.34 O ATOM 365 CB PHE A 43 10.840 -11.833 -12.475 1.00 34.14 C ATOM 366 CG PHE A 43 10.106 -10.552 -12.751 1.00 34.14 C ATOM 367 CD1 PHE A 43 10.558 -9.351 -12.226 1.00 23.41 C ATOM 368 CD2 PHE A 43 8.964 -10.548 -13.535 1.00 51.34 C ATOM 369 CE1 PHE A 43 9.885 -8.172 -12.478 1.00 15.31 C ATOM 370 CE2 PHE A 43 8.286 -9.370 -13.791 1.00 40.03 C ATOM 371 CZ PHE A 43 8.748 -8.181 -13.263 1.00 12.25 C ATOM 0 H PHE A 43 10.659 -13.089 -14.801 1.00 21.11 H new ATOM 0 HA PHE A 43 12.602 -11.243 -13.552 1.00 63.31 H new ATOM 0 HB2 PHE A 43 10.130 -12.660 -12.490 1.00 34.14 H new ATOM 0 HB3 PHE A 43 11.261 -11.792 -11.470 1.00 34.14 H new ATOM 0 HD1 PHE A 43 11.447 -9.338 -11.613 1.00 23.41 H new ATOM 0 HD2 PHE A 43 8.599 -11.475 -13.951 1.00 51.34 H new ATOM 0 HE1 PHE A 43 10.247 -7.243 -12.062 1.00 15.31 H new ATOM 0 HE2 PHE A 43 7.396 -9.380 -14.403 1.00 40.03 H new ATOM 0 HZ PHE A 43 8.222 -7.259 -13.463 1.00 12.25 H new ATOM 381 N SER A 44 13.927 -12.985 -12.346 1.00 4.23 N ATOM 382 CA SER A 44 14.825 -14.014 -11.832 1.00 1.40 C ATOM 383 C SER A 44 15.500 -13.551 -10.544 1.00 45.04 C ATOM 384 O SER A 44 15.095 -12.559 -9.938 1.00 71.10 O ATOM 385 CB SER A 44 15.883 -14.366 -12.879 1.00 72.11 C ATOM 386 OG SER A 44 15.954 -15.767 -13.079 1.00 61.11 O ATOM 0 H SER A 44 14.237 -12.029 -12.171 1.00 4.23 H new ATOM 0 HA SER A 44 14.233 -14.902 -11.612 1.00 1.40 H new ATOM 0 HB2 SER A 44 15.645 -13.872 -13.821 1.00 72.11 H new ATOM 0 HB3 SER A 44 16.855 -13.991 -12.559 1.00 72.11 H new ATOM 0 HG SER A 44 15.123 -16.184 -12.770 1.00 61.11 H new ATOM 392 N LYS A 45 16.535 -14.277 -10.134 1.00 15.25 N ATOM 393 CA LYS A 45 17.270 -13.943 -8.919 1.00 42.42 C ATOM 394 C LYS A 45 18.772 -14.099 -9.132 1.00 63.33 C ATOM 395 O LYS A 45 19.229 -14.331 -10.252 1.00 3.42 O ATOM 396 CB LYS A 45 16.813 -14.832 -7.761 1.00 3.22 C ATOM 397 CG LYS A 45 15.567 -14.322 -7.057 1.00 72.24 C ATOM 398 CD LYS A 45 15.671 -14.485 -5.550 1.00 43.21 C ATOM 399 CE LYS A 45 14.698 -15.534 -5.035 1.00 11.34 C ATOM 400 NZ LYS A 45 15.235 -16.250 -3.844 1.00 53.31 N ATOM 0 H LYS A 45 16.884 -15.100 -10.625 1.00 15.25 H new ATOM 0 HA LYS A 45 17.062 -12.902 -8.673 1.00 42.42 H new ATOM 0 HB2 LYS A 45 16.621 -15.836 -8.139 1.00 3.22 H new ATOM 0 HB3 LYS A 45 17.622 -14.914 -7.035 1.00 3.22 H new ATOM 0 HG2 LYS A 45 15.415 -13.270 -7.300 1.00 72.24 H new ATOM 0 HG3 LYS A 45 14.694 -14.863 -7.423 1.00 72.24 H new ATOM 0 HD2 LYS A 45 16.689 -14.769 -5.283 1.00 43.21 H new ATOM 0 HD3 LYS A 45 15.469 -13.530 -5.065 1.00 43.21 H new ATOM 0 HE2 LYS A 45 13.753 -15.057 -4.777 1.00 11.34 H new ATOM 0 HE3 LYS A 45 14.486 -16.253 -5.826 1.00 11.34 H new ATOM 0 HZ1 LYS A 45 14.448 -16.652 -3.297 1.00 53.31 H new ATOM 0 HZ2 LYS A 45 15.867 -17.015 -4.155 1.00 53.31 H new ATOM 0 HZ3 LYS A 45 15.766 -15.583 -3.248 1.00 53.31 H new ATOM 414 N SER A 46 19.535 -13.973 -8.051 1.00 42.13 N ATOM 415 CA SER A 46 20.986 -14.098 -8.121 1.00 45.10 C ATOM 416 C SER A 46 21.404 -15.565 -8.145 1.00 3.04 C ATOM 417 O SER A 46 22.197 -15.982 -8.990 1.00 22.53 O ATOM 418 CB SER A 46 21.638 -13.389 -6.933 1.00 4.24 C ATOM 419 OG SER A 46 22.260 -12.182 -7.336 1.00 70.03 O ATOM 0 H SER A 46 19.172 -13.784 -7.116 1.00 42.13 H new ATOM 0 HA SER A 46 21.323 -13.627 -9.045 1.00 45.10 H new ATOM 0 HB2 SER A 46 20.885 -13.177 -6.174 1.00 4.24 H new ATOM 0 HB3 SER A 46 22.377 -14.046 -6.474 1.00 4.24 H new ATOM 0 HG SER A 46 22.667 -11.748 -6.557 1.00 70.03 H new ATOM 425 N TYR A 47 20.866 -16.342 -7.212 1.00 72.21 N ATOM 426 CA TYR A 47 21.184 -17.762 -7.123 1.00 51.13 C ATOM 427 C TYR A 47 19.912 -18.606 -7.133 1.00 24.43 C ATOM 428 O TYR A 47 19.562 -19.229 -6.131 1.00 34.55 O ATOM 429 CB TYR A 47 21.989 -18.047 -5.855 1.00 43.00 C ATOM 430 CG TYR A 47 21.368 -17.475 -4.601 1.00 71.23 C ATOM 431 CD1 TYR A 47 21.439 -16.116 -4.324 1.00 50.13 C ATOM 432 CD2 TYR A 47 20.709 -18.295 -3.693 1.00 23.31 C ATOM 433 CE1 TYR A 47 20.873 -15.590 -3.179 1.00 50.24 C ATOM 434 CE2 TYR A 47 20.139 -17.778 -2.546 1.00 50.40 C ATOM 435 CZ TYR A 47 20.223 -16.424 -2.294 1.00 24.00 C ATOM 436 OH TYR A 47 19.658 -15.904 -1.153 1.00 40.40 O ATOM 0 H TYR A 47 20.207 -16.012 -6.506 1.00 72.21 H new ATOM 0 HA TYR A 47 21.783 -18.030 -7.993 1.00 51.13 H new ATOM 0 HB2 TYR A 47 22.096 -19.125 -5.738 1.00 43.00 H new ATOM 0 HB3 TYR A 47 22.992 -17.638 -5.972 1.00 43.00 H new ATOM 0 HD1 TYR A 47 21.945 -15.459 -5.016 1.00 50.13 H new ATOM 0 HD2 TYR A 47 20.641 -19.355 -3.888 1.00 23.31 H new ATOM 0 HE1 TYR A 47 20.939 -14.531 -2.978 1.00 50.24 H new ATOM 0 HE2 TYR A 47 19.631 -18.430 -1.851 1.00 50.40 H new ATOM 0 HH TYR A 47 19.238 -16.625 -0.638 1.00 40.40 H new ATOM 446 N CYS A 48 19.229 -18.622 -8.271 1.00 44.02 N ATOM 447 CA CYS A 48 17.997 -19.390 -8.413 1.00 13.14 C ATOM 448 C CYS A 48 17.889 -19.994 -9.809 1.00 42.23 C ATOM 449 O CYS A 48 17.493 -19.333 -10.770 1.00 3.34 O ATOM 450 CB CYS A 48 16.784 -18.501 -8.133 1.00 73.12 C ATOM 451 SG CYS A 48 16.659 -17.940 -6.419 1.00 54.02 S ATOM 0 H CYS A 48 19.507 -18.112 -9.109 1.00 44.02 H new ATOM 0 HA CYS A 48 18.019 -20.203 -7.687 1.00 13.14 H new ATOM 0 HB2 CYS A 48 16.827 -17.630 -8.787 1.00 73.12 H new ATOM 0 HB3 CYS A 48 15.878 -19.049 -8.391 1.00 73.12 H new ATOM 0 HG CYS A 48 17.713 -18.321 -5.760 1.00 54.02 H new ATOM 457 N PRO A 49 18.253 -21.280 -9.928 1.00 21.03 N ATOM 458 CA PRO A 49 18.207 -22.001 -11.202 1.00 44.24 C ATOM 459 C PRO A 49 16.780 -22.259 -11.672 1.00 31.52 C ATOM 460 O PRO A 49 15.823 -22.054 -10.925 1.00 13.24 O ATOM 461 CB PRO A 49 18.914 -23.322 -10.888 1.00 72.31 C ATOM 462 CG PRO A 49 18.733 -23.509 -9.422 1.00 13.52 C ATOM 463 CD PRO A 49 18.735 -22.129 -8.825 1.00 14.22 C ATOM 0 HA PRO A 49 18.672 -21.434 -12.008 1.00 44.24 H new ATOM 0 HB2 PRO A 49 18.477 -24.148 -11.449 1.00 72.31 H new ATOM 0 HB3 PRO A 49 19.970 -23.279 -11.154 1.00 72.31 H new ATOM 0 HG2 PRO A 49 17.798 -24.026 -9.207 1.00 13.52 H new ATOM 0 HG3 PRO A 49 19.536 -24.116 -9.004 1.00 13.52 H new ATOM 0 HD2 PRO A 49 18.082 -22.067 -7.955 1.00 14.22 H new ATOM 0 HD3 PRO A 49 19.732 -21.834 -8.497 1.00 14.22 H new ATOM 471 N HIS A 50 16.643 -22.711 -12.915 1.00 14.31 N ATOM 472 CA HIS A 50 15.330 -22.998 -13.483 1.00 65.23 C ATOM 473 C HIS A 50 14.634 -21.712 -13.920 1.00 21.25 C ATOM 474 O HIS A 50 14.146 -21.611 -15.046 1.00 2.51 O ATOM 475 CB HIS A 50 14.463 -23.743 -12.468 1.00 51.51 C ATOM 476 CG HIS A 50 15.199 -24.812 -11.721 1.00 44.45 C ATOM 477 ND1 HIS A 50 15.808 -25.881 -12.344 1.00 1.42 N ATOM 478 CD2 HIS A 50 15.424 -24.972 -10.396 1.00 72.51 C ATOM 479 CE1 HIS A 50 16.374 -26.653 -11.434 1.00 25.21 C ATOM 480 NE2 HIS A 50 16.156 -26.124 -10.244 1.00 32.22 N ATOM 0 H HIS A 50 17.424 -22.886 -13.547 1.00 14.31 H new ATOM 0 HA HIS A 50 15.471 -23.629 -14.360 1.00 65.23 H new ATOM 0 HB2 HIS A 50 14.057 -23.026 -11.754 1.00 51.51 H new ATOM 0 HB3 HIS A 50 13.615 -24.191 -12.986 1.00 51.51 H new ATOM 0 HD2 HIS A 50 15.090 -24.316 -9.606 1.00 72.51 H new ATOM 0 HE1 HIS A 50 16.922 -27.563 -11.630 1.00 25.21 H new ATOM 0 HE2 HIS A 50 16.479 -26.508 -9.356 1.00 32.22 H new ATOM 488 N SER A 51 14.591 -20.734 -13.021 1.00 50.34 N ATOM 489 CA SER A 51 13.950 -19.457 -13.312 1.00 22.32 C ATOM 490 C SER A 51 14.835 -18.598 -14.209 1.00 54.15 C ATOM 491 O SER A 51 14.344 -17.759 -14.967 1.00 74.21 O ATOM 492 CB SER A 51 13.643 -18.709 -12.013 1.00 24.42 C ATOM 493 OG SER A 51 13.559 -17.313 -12.237 1.00 2.31 O ATOM 0 H SER A 51 14.992 -20.801 -12.086 1.00 50.34 H new ATOM 0 HA SER A 51 13.016 -19.658 -13.837 1.00 22.32 H new ATOM 0 HB2 SER A 51 12.704 -19.071 -11.595 1.00 24.42 H new ATOM 0 HB3 SER A 51 14.420 -18.916 -11.278 1.00 24.42 H new ATOM 0 HG SER A 51 13.361 -16.857 -11.392 1.00 2.31 H new ATOM 499 N THR A 52 16.144 -18.811 -14.120 1.00 62.20 N ATOM 500 CA THR A 52 17.099 -18.056 -14.922 1.00 31.50 C ATOM 501 C THR A 52 17.278 -18.685 -16.299 1.00 72.11 C ATOM 502 O THR A 52 17.366 -17.983 -17.306 1.00 50.24 O ATOM 503 CB THR A 52 18.471 -17.969 -14.227 1.00 73.02 C ATOM 504 OG1 THR A 52 18.383 -17.123 -13.075 1.00 62.42 O ATOM 505 CG2 THR A 52 19.526 -17.428 -15.180 1.00 54.13 C ATOM 0 H THR A 52 16.568 -19.501 -13.500 1.00 62.20 H new ATOM 0 HA THR A 52 16.693 -17.051 -15.035 1.00 31.50 H new ATOM 0 HB THR A 52 18.763 -18.973 -13.919 1.00 73.02 H new ATOM 0 HG1 THR A 52 17.526 -16.647 -13.083 1.00 62.42 H new ATOM 0 HG21 THR A 52 20.487 -17.375 -14.667 1.00 54.13 H new ATOM 0 HG22 THR A 52 19.611 -18.089 -16.042 1.00 54.13 H new ATOM 0 HG23 THR A 52 19.238 -16.431 -15.514 1.00 54.13 H new ATOM 513 N ARG A 53 17.330 -20.013 -16.336 1.00 30.22 N ATOM 514 CA ARG A 53 17.500 -20.736 -17.591 1.00 22.34 C ATOM 515 C ARG A 53 16.375 -20.403 -18.566 1.00 24.33 C ATOM 516 O ARG A 53 16.612 -20.194 -19.756 1.00 71.52 O ATOM 517 CB ARG A 53 17.537 -22.244 -17.333 1.00 62.10 C ATOM 518 CG ARG A 53 16.697 -23.049 -18.311 1.00 32.22 C ATOM 519 CD ARG A 53 16.774 -24.539 -18.015 1.00 21.12 C ATOM 520 NE ARG A 53 18.019 -25.130 -18.499 1.00 35.33 N ATOM 521 CZ ARG A 53 18.421 -26.355 -18.184 1.00 22.42 C ATOM 522 NH1 ARG A 53 17.682 -27.117 -17.389 1.00 3.20 N ATOM 523 NH2 ARG A 53 19.567 -26.822 -18.664 1.00 30.31 N ATOM 0 H ARG A 53 17.257 -20.610 -15.512 1.00 30.22 H new ATOM 0 HA ARG A 53 18.446 -20.427 -18.036 1.00 22.34 H new ATOM 0 HB2 ARG A 53 18.570 -22.588 -17.385 1.00 62.10 H new ATOM 0 HB3 ARG A 53 17.187 -22.440 -16.319 1.00 62.10 H new ATOM 0 HG2 ARG A 53 15.659 -22.719 -18.258 1.00 32.22 H new ATOM 0 HG3 ARG A 53 17.040 -22.861 -19.328 1.00 32.22 H new ATOM 0 HD2 ARG A 53 16.690 -24.700 -16.940 1.00 21.12 H new ATOM 0 HD3 ARG A 53 15.928 -25.045 -18.480 1.00 21.12 H new ATOM 0 HE ARG A 53 18.612 -24.571 -19.112 1.00 35.33 H new ATOM 0 HH11 ARG A 53 16.801 -26.762 -17.017 1.00 3.20 H new ATOM 0 HH12 ARG A 53 17.995 -28.058 -17.149 1.00 3.20 H new ATOM 0 HH21 ARG A 53 20.139 -26.239 -19.275 1.00 30.31 H new ATOM 0 HH22 ARG A 53 19.876 -27.764 -18.422 1.00 30.31 H new ATOM 537 N VAL A 54 15.149 -20.357 -18.054 1.00 10.40 N ATOM 538 CA VAL A 54 13.987 -20.049 -18.879 1.00 61.25 C ATOM 539 C VAL A 54 14.182 -18.740 -19.637 1.00 11.43 C ATOM 540 O VAL A 54 13.556 -18.510 -20.672 1.00 4.12 O ATOM 541 CB VAL A 54 12.705 -19.952 -18.030 1.00 63.23 C ATOM 542 CG1 VAL A 54 12.696 -18.664 -17.222 1.00 11.42 C ATOM 543 CG2 VAL A 54 11.472 -20.045 -18.916 1.00 42.12 C ATOM 0 H VAL A 54 14.935 -20.529 -17.072 1.00 10.40 H new ATOM 0 HA VAL A 54 13.880 -20.866 -19.592 1.00 61.25 H new ATOM 0 HB VAL A 54 12.687 -20.789 -17.333 1.00 63.23 H new ATOM 0 HG11 VAL A 54 11.783 -18.613 -16.629 1.00 11.42 H new ATOM 0 HG12 VAL A 54 13.561 -18.644 -16.559 1.00 11.42 H new ATOM 0 HG13 VAL A 54 12.737 -17.810 -17.898 1.00 11.42 H new ATOM 0 HG21 VAL A 54 10.575 -19.975 -18.300 1.00 42.12 H new ATOM 0 HG22 VAL A 54 11.481 -19.229 -19.639 1.00 42.12 H new ATOM 0 HG23 VAL A 54 11.475 -20.998 -19.445 1.00 42.12 H new ATOM 553 N LYS A 55 15.054 -17.884 -19.113 1.00 73.24 N ATOM 554 CA LYS A 55 15.334 -16.598 -19.740 1.00 13.43 C ATOM 555 C LYS A 55 16.214 -16.774 -20.972 1.00 40.34 C ATOM 556 O LYS A 55 16.132 -15.993 -21.920 1.00 61.44 O ATOM 557 CB LYS A 55 16.016 -15.659 -18.742 1.00 72.22 C ATOM 558 CG LYS A 55 17.527 -15.606 -18.892 1.00 14.04 C ATOM 559 CD LYS A 55 18.186 -14.983 -17.673 1.00 11.21 C ATOM 560 CE LYS A 55 19.702 -15.083 -17.748 1.00 20.23 C ATOM 561 NZ LYS A 55 20.348 -14.677 -16.469 1.00 61.30 N ATOM 0 H LYS A 55 15.579 -18.058 -18.256 1.00 73.24 H new ATOM 0 HA LYS A 55 14.386 -16.160 -20.052 1.00 13.43 H new ATOM 0 HB2 LYS A 55 15.611 -14.654 -18.866 1.00 72.22 H new ATOM 0 HB3 LYS A 55 15.771 -15.979 -17.729 1.00 72.22 H new ATOM 0 HG2 LYS A 55 17.914 -16.614 -19.041 1.00 14.04 H new ATOM 0 HG3 LYS A 55 17.786 -15.030 -19.781 1.00 14.04 H new ATOM 0 HD2 LYS A 55 17.893 -13.936 -17.594 1.00 11.21 H new ATOM 0 HD3 LYS A 55 17.831 -15.482 -16.771 1.00 11.21 H new ATOM 0 HE2 LYS A 55 19.987 -16.107 -17.990 1.00 20.23 H new ATOM 0 HE3 LYS A 55 20.068 -14.451 -18.557 1.00 20.23 H new ATOM 0 HZ1 LYS A 55 20.913 -13.817 -16.623 1.00 61.30 H new ATOM 0 HZ2 LYS A 55 19.616 -14.487 -15.755 1.00 61.30 H new ATOM 0 HZ3 LYS A 55 20.967 -15.443 -16.135 1.00 61.30 H new ATOM 575 N GLU A 56 17.055 -17.803 -20.952 1.00 64.12 N ATOM 576 CA GLU A 56 17.950 -18.080 -22.070 1.00 1.23 C ATOM 577 C GLU A 56 17.162 -18.511 -23.304 1.00 42.42 C ATOM 578 O GLU A 56 17.664 -18.450 -24.427 1.00 23.50 O ATOM 579 CB GLU A 56 18.956 -19.167 -21.689 1.00 63.22 C ATOM 580 CG GLU A 56 20.368 -18.886 -22.175 1.00 22.43 C ATOM 581 CD GLU A 56 20.890 -19.965 -23.106 1.00 52.00 C ATOM 582 OE1 GLU A 56 20.354 -20.092 -24.227 1.00 0.14 O ATOM 583 OE2 GLU A 56 21.834 -20.681 -22.712 1.00 44.24 O ATOM 0 H GLU A 56 17.136 -18.458 -20.175 1.00 64.12 H new ATOM 0 HA GLU A 56 18.489 -17.163 -22.306 1.00 1.23 H new ATOM 0 HB2 GLU A 56 18.969 -19.275 -20.604 1.00 63.22 H new ATOM 0 HB3 GLU A 56 18.622 -20.120 -22.100 1.00 63.22 H new ATOM 0 HG2 GLU A 56 20.386 -17.926 -22.691 1.00 22.43 H new ATOM 0 HG3 GLU A 56 21.033 -18.799 -21.316 1.00 22.43 H new ATOM 590 N LEU A 57 15.926 -18.947 -23.087 1.00 1.43 N ATOM 591 CA LEU A 57 15.067 -19.388 -24.181 1.00 24.03 C ATOM 592 C LEU A 57 14.809 -18.252 -25.164 1.00 2.10 C ATOM 593 O LEU A 57 15.174 -18.336 -26.337 1.00 71.52 O ATOM 594 CB LEU A 57 13.740 -19.915 -23.632 1.00 43.32 C ATOM 595 CG LEU A 57 13.729 -21.379 -23.193 1.00 13.11 C ATOM 596 CD1 LEU A 57 14.073 -22.289 -24.361 1.00 60.44 C ATOM 597 CD2 LEU A 57 14.697 -21.598 -22.040 1.00 41.54 C ATOM 0 H LEU A 57 15.496 -19.005 -22.164 1.00 1.43 H new ATOM 0 HA LEU A 57 15.579 -20.191 -24.711 1.00 24.03 H new ATOM 0 HB2 LEU A 57 13.452 -19.299 -22.780 1.00 43.32 H new ATOM 0 HB3 LEU A 57 12.975 -19.780 -24.396 1.00 43.32 H new ATOM 0 HG LEU A 57 12.725 -21.627 -22.849 1.00 13.11 H new ATOM 0 HD11 LEU A 57 14.060 -23.327 -24.029 1.00 60.44 H new ATOM 0 HD12 LEU A 57 13.340 -22.153 -25.156 1.00 60.44 H new ATOM 0 HD13 LEU A 57 15.066 -22.040 -24.736 1.00 60.44 H new ATOM 0 HD21 LEU A 57 14.676 -22.646 -21.741 1.00 41.54 H new ATOM 0 HD22 LEU A 57 15.706 -21.331 -22.356 1.00 41.54 H new ATOM 0 HD23 LEU A 57 14.404 -20.974 -21.196 1.00 41.54 H new ATOM 609 N PHE A 58 14.181 -17.187 -24.678 1.00 12.12 N ATOM 610 CA PHE A 58 13.875 -16.031 -25.513 1.00 62.04 C ATOM 611 C PHE A 58 15.104 -15.592 -26.304 1.00 40.31 C ATOM 612 O PHE A 58 15.025 -15.342 -27.507 1.00 12.32 O ATOM 613 CB PHE A 58 13.366 -14.872 -24.653 1.00 32.52 C ATOM 614 CG PHE A 58 12.021 -15.130 -24.036 1.00 30.31 C ATOM 615 CD1 PHE A 58 10.979 -15.632 -24.799 1.00 24.43 C ATOM 616 CD2 PHE A 58 11.799 -14.869 -22.693 1.00 75.14 C ATOM 617 CE1 PHE A 58 9.740 -15.869 -24.234 1.00 10.13 C ATOM 618 CE2 PHE A 58 10.562 -15.105 -22.123 1.00 22.02 C ATOM 619 CZ PHE A 58 9.531 -15.606 -22.894 1.00 24.10 C ATOM 0 H PHE A 58 13.874 -17.100 -23.709 1.00 12.12 H new ATOM 0 HA PHE A 58 13.095 -16.320 -26.217 1.00 62.04 H new ATOM 0 HB2 PHE A 58 14.088 -14.673 -23.861 1.00 32.52 H new ATOM 0 HB3 PHE A 58 13.309 -13.973 -25.266 1.00 32.52 H new ATOM 0 HD1 PHE A 58 11.137 -15.840 -25.847 1.00 24.43 H new ATOM 0 HD2 PHE A 58 12.601 -14.477 -22.085 1.00 75.14 H new ATOM 0 HE1 PHE A 58 8.936 -16.260 -24.840 1.00 10.13 H new ATOM 0 HE2 PHE A 58 10.402 -14.898 -21.075 1.00 22.02 H new ATOM 0 HZ PHE A 58 8.564 -15.792 -22.450 1.00 24.10 H new ATOM 629 N SER A 59 16.239 -15.498 -25.618 1.00 73.33 N ATOM 630 CA SER A 59 17.484 -15.084 -26.253 1.00 52.13 C ATOM 631 C SER A 59 17.774 -15.936 -27.486 1.00 12.20 C ATOM 632 O SER A 59 18.086 -15.412 -28.556 1.00 30.51 O ATOM 633 CB SER A 59 18.646 -15.188 -25.263 1.00 52.33 C ATOM 634 OG SER A 59 19.638 -14.214 -25.539 1.00 2.40 O ATOM 0 H SER A 59 16.321 -15.703 -24.622 1.00 73.33 H new ATOM 0 HA SER A 59 17.375 -14.046 -26.567 1.00 52.13 H new ATOM 0 HB2 SER A 59 18.275 -15.056 -24.247 1.00 52.33 H new ATOM 0 HB3 SER A 59 19.085 -16.184 -25.316 1.00 52.33 H new ATOM 0 HG SER A 59 20.369 -14.299 -24.892 1.00 2.40 H new ATOM 640 N SER A 60 17.670 -17.251 -27.327 1.00 33.24 N ATOM 641 CA SER A 60 17.924 -18.177 -28.424 1.00 74.00 C ATOM 642 C SER A 60 16.735 -18.229 -29.379 1.00 12.53 C ATOM 643 O SER A 60 16.781 -18.898 -30.411 1.00 34.43 O ATOM 644 CB SER A 60 18.218 -19.577 -27.881 1.00 55.43 C ATOM 645 OG SER A 60 18.118 -20.552 -28.905 1.00 44.01 O ATOM 0 H SER A 60 17.411 -17.700 -26.448 1.00 33.24 H new ATOM 0 HA SER A 60 18.794 -17.818 -28.974 1.00 74.00 H new ATOM 0 HB2 SER A 60 19.218 -19.600 -27.449 1.00 55.43 H new ATOM 0 HB3 SER A 60 17.519 -19.814 -27.079 1.00 55.43 H new ATOM 0 HG SER A 60 17.372 -21.156 -28.710 1.00 44.01 H new ATOM 651 N LEU A 61 15.671 -17.516 -29.026 1.00 12.52 N ATOM 652 CA LEU A 61 14.467 -17.479 -29.850 1.00 13.51 C ATOM 653 C LEU A 61 14.522 -16.322 -30.843 1.00 61.41 C ATOM 654 O LEU A 61 13.516 -15.968 -31.457 1.00 25.21 O ATOM 655 CB LEU A 61 13.224 -17.348 -28.967 1.00 42.02 C ATOM 656 CG LEU A 61 12.028 -18.217 -29.360 1.00 2.12 C ATOM 657 CD1 LEU A 61 11.814 -18.181 -30.865 1.00 72.42 C ATOM 658 CD2 LEU A 61 12.228 -19.647 -28.881 1.00 61.24 C ATOM 0 H LEU A 61 15.617 -16.956 -28.175 1.00 12.52 H new ATOM 0 HA LEU A 61 14.411 -18.413 -30.410 1.00 13.51 H new ATOM 0 HB2 LEU A 61 13.503 -17.591 -27.942 1.00 42.02 H new ATOM 0 HB3 LEU A 61 12.907 -16.305 -28.972 1.00 42.02 H new ATOM 0 HG LEU A 61 11.137 -17.815 -28.878 1.00 2.12 H new ATOM 0 HD11 LEU A 61 10.959 -18.805 -31.126 1.00 72.42 H new ATOM 0 HD12 LEU A 61 11.625 -17.155 -31.181 1.00 72.42 H new ATOM 0 HD13 LEU A 61 12.705 -18.557 -31.368 1.00 72.42 H new ATOM 0 HD21 LEU A 61 11.368 -20.251 -29.169 1.00 61.24 H new ATOM 0 HD22 LEU A 61 13.129 -20.060 -29.334 1.00 61.24 H new ATOM 0 HD23 LEU A 61 12.331 -19.656 -27.796 1.00 61.24 H new ATOM 670 N GLY A 62 15.707 -15.738 -30.999 1.00 14.22 N ATOM 671 CA GLY A 62 15.873 -14.629 -31.920 1.00 35.40 C ATOM 672 C GLY A 62 15.101 -13.398 -31.490 1.00 11.11 C ATOM 673 O GLY A 62 14.980 -12.435 -32.248 1.00 63.32 O ATOM 0 H GLY A 62 16.555 -16.014 -30.504 1.00 14.22 H new ATOM 0 HA2 GLY A 62 16.932 -14.381 -31.998 1.00 35.40 H new ATOM 0 HA3 GLY A 62 15.542 -14.933 -32.913 1.00 35.40 H new ATOM 677 N VAL A 63 14.575 -13.427 -30.269 1.00 74.53 N ATOM 678 CA VAL A 63 13.810 -12.305 -29.740 1.00 12.34 C ATOM 679 C VAL A 63 14.579 -11.589 -28.634 1.00 34.31 C ATOM 680 O VAL A 63 15.574 -12.102 -28.124 1.00 3.02 O ATOM 681 CB VAL A 63 12.447 -12.765 -29.187 1.00 43.20 C ATOM 682 CG1 VAL A 63 12.577 -13.191 -27.733 1.00 31.44 C ATOM 683 CG2 VAL A 63 11.412 -11.660 -29.337 1.00 73.44 C ATOM 0 H VAL A 63 14.665 -14.216 -29.628 1.00 74.53 H new ATOM 0 HA VAL A 63 13.644 -11.617 -30.569 1.00 12.34 H new ATOM 0 HB VAL A 63 12.112 -13.627 -29.764 1.00 43.20 H new ATOM 0 HG11 VAL A 63 11.605 -13.513 -27.360 1.00 31.44 H new ATOM 0 HG12 VAL A 63 13.286 -14.016 -27.657 1.00 31.44 H new ATOM 0 HG13 VAL A 63 12.934 -12.350 -27.138 1.00 31.44 H new ATOM 0 HG21 VAL A 63 10.455 -12.001 -28.942 1.00 73.44 H new ATOM 0 HG22 VAL A 63 11.739 -10.778 -28.786 1.00 73.44 H new ATOM 0 HG23 VAL A 63 11.299 -11.408 -30.391 1.00 73.44 H new ATOM 693 N VAL A 64 14.108 -10.401 -28.267 1.00 60.14 N ATOM 694 CA VAL A 64 14.751 -9.615 -27.221 1.00 34.32 C ATOM 695 C VAL A 64 13.859 -9.508 -25.989 1.00 10.04 C ATOM 696 O VAL A 64 12.634 -9.467 -26.098 1.00 74.41 O ATOM 697 CB VAL A 64 15.096 -8.197 -27.715 1.00 72.43 C ATOM 698 CG1 VAL A 64 15.933 -7.460 -26.681 1.00 12.12 C ATOM 699 CG2 VAL A 64 15.820 -8.262 -29.051 1.00 42.11 C ATOM 0 H VAL A 64 13.284 -9.962 -28.678 1.00 60.14 H new ATOM 0 HA VAL A 64 15.673 -10.134 -26.957 1.00 34.32 H new ATOM 0 HB VAL A 64 14.168 -7.643 -27.856 1.00 72.43 H new ATOM 0 HG11 VAL A 64 16.167 -6.460 -27.048 1.00 12.12 H new ATOM 0 HG12 VAL A 64 15.374 -7.383 -25.748 1.00 12.12 H new ATOM 0 HG13 VAL A 64 16.859 -8.008 -26.505 1.00 12.12 H new ATOM 0 HG21 VAL A 64 16.057 -7.252 -29.386 1.00 42.11 H new ATOM 0 HG22 VAL A 64 16.742 -8.832 -28.938 1.00 42.11 H new ATOM 0 HG23 VAL A 64 15.181 -8.748 -29.788 1.00 42.11 H new ATOM 709 N TYR A 65 14.482 -9.463 -24.816 1.00 32.01 N ATOM 710 CA TYR A 65 13.745 -9.363 -23.562 1.00 72.15 C ATOM 711 C TYR A 65 14.565 -8.629 -22.505 1.00 63.34 C ATOM 712 O TYR A 65 15.751 -8.364 -22.698 1.00 31.31 O ATOM 713 CB TYR A 65 13.368 -10.756 -23.055 1.00 3.43 C ATOM 714 CG TYR A 65 14.562 -11.622 -22.719 1.00 52.34 C ATOM 715 CD1 TYR A 65 15.242 -12.315 -23.712 1.00 24.20 C ATOM 716 CD2 TYR A 65 15.009 -11.746 -21.410 1.00 35.32 C ATOM 717 CE1 TYR A 65 16.333 -13.108 -23.410 1.00 64.00 C ATOM 718 CE2 TYR A 65 16.099 -12.535 -21.099 1.00 4.51 C ATOM 719 CZ TYR A 65 16.757 -13.214 -22.102 1.00 44.02 C ATOM 720 OH TYR A 65 17.844 -14.002 -21.796 1.00 74.34 O ATOM 0 H TYR A 65 15.496 -9.494 -24.708 1.00 32.01 H new ATOM 0 HA TYR A 65 12.835 -8.793 -23.750 1.00 72.15 H new ATOM 0 HB2 TYR A 65 12.743 -10.654 -22.168 1.00 3.43 H new ATOM 0 HB3 TYR A 65 12.767 -11.259 -23.813 1.00 3.43 H new ATOM 0 HD1 TYR A 65 14.913 -12.233 -24.737 1.00 24.20 H new ATOM 0 HD2 TYR A 65 14.495 -11.216 -20.621 1.00 35.32 H new ATOM 0 HE1 TYR A 65 16.850 -13.641 -24.194 1.00 64.00 H new ATOM 0 HE2 TYR A 65 16.434 -12.620 -20.076 1.00 4.51 H new ATOM 0 HH TYR A 65 17.600 -14.947 -21.888 1.00 74.34 H new ATOM 730 N ASN A 66 13.924 -8.304 -21.388 1.00 71.53 N ATOM 731 CA ASN A 66 14.593 -7.602 -20.299 1.00 12.10 C ATOM 732 C ASN A 66 14.908 -8.553 -19.149 1.00 73.42 C ATOM 733 O ASN A 66 14.044 -9.308 -18.700 1.00 61.22 O ATOM 734 CB ASN A 66 13.720 -6.449 -19.796 1.00 62.35 C ATOM 735 CG ASN A 66 14.412 -5.105 -19.921 1.00 33.14 C ATOM 736 OD1 ASN A 66 15.236 -4.739 -19.083 1.00 42.40 O ATOM 737 ND2 ASN A 66 14.077 -4.362 -20.969 1.00 0.12 N ATOM 0 H ASN A 66 12.942 -8.515 -21.213 1.00 71.53 H new ATOM 0 HA ASN A 66 15.531 -7.200 -20.682 1.00 12.10 H new ATOM 0 HB2 ASN A 66 12.788 -6.429 -20.361 1.00 62.35 H new ATOM 0 HB3 ASN A 66 13.457 -6.624 -18.753 1.00 62.35 H new ATOM 0 HD21 ASN A 66 14.508 -3.447 -21.104 1.00 0.12 H new ATOM 0 HD22 ASN A 66 13.389 -4.706 -21.639 1.00 0.12 H new ATOM 744 N ILE A 67 16.150 -8.512 -18.678 1.00 74.12 N ATOM 745 CA ILE A 67 16.578 -9.370 -17.580 1.00 24.13 C ATOM 746 C ILE A 67 16.635 -8.595 -16.267 1.00 43.14 C ATOM 747 O ILE A 67 17.424 -7.660 -16.120 1.00 33.12 O ATOM 748 CB ILE A 67 17.960 -9.991 -17.857 1.00 73.12 C ATOM 749 CG1 ILE A 67 17.995 -10.607 -19.257 1.00 71.34 C ATOM 750 CG2 ILE A 67 18.291 -11.038 -16.804 1.00 12.44 C ATOM 751 CD1 ILE A 67 18.950 -9.910 -20.200 1.00 73.23 C ATOM 0 H ILE A 67 16.877 -7.894 -19.039 1.00 74.12 H new ATOM 0 HA ILE A 67 15.840 -10.168 -17.497 1.00 24.13 H new ATOM 0 HB ILE A 67 18.712 -9.204 -17.808 1.00 73.12 H new ATOM 0 HG12 ILE A 67 18.278 -11.657 -19.176 1.00 71.34 H new ATOM 0 HG13 ILE A 67 16.992 -10.579 -19.683 1.00 71.34 H new ATOM 0 HG21 ILE A 67 19.271 -11.468 -17.013 1.00 12.44 H new ATOM 0 HG22 ILE A 67 18.302 -10.572 -15.819 1.00 12.44 H new ATOM 0 HG23 ILE A 67 17.538 -11.825 -16.824 1.00 12.44 H new ATOM 0 HD11 ILE A 67 18.923 -10.400 -21.173 1.00 73.23 H new ATOM 0 HD12 ILE A 67 18.655 -8.866 -20.311 1.00 73.23 H new ATOM 0 HD13 ILE A 67 19.961 -9.961 -19.797 1.00 73.23 H new ATOM 763 N LEU A 68 15.797 -8.992 -15.316 1.00 4.20 N ATOM 764 CA LEU A 68 15.753 -8.336 -14.014 1.00 10.14 C ATOM 765 C LEU A 68 15.806 -9.361 -12.886 1.00 33.02 C ATOM 766 O LEU A 68 15.144 -10.398 -12.945 1.00 44.14 O ATOM 767 CB LEU A 68 14.485 -7.489 -13.890 1.00 20.40 C ATOM 768 CG LEU A 68 14.172 -6.573 -15.073 1.00 51.30 C ATOM 769 CD1 LEU A 68 12.902 -5.777 -14.810 1.00 63.33 C ATOM 770 CD2 LEU A 68 15.341 -5.638 -15.349 1.00 31.31 C ATOM 0 H LEU A 68 15.139 -9.764 -15.422 1.00 4.20 H new ATOM 0 HA LEU A 68 16.625 -7.687 -13.932 1.00 10.14 H new ATOM 0 HB2 LEU A 68 13.638 -8.159 -13.741 1.00 20.40 H new ATOM 0 HB3 LEU A 68 14.568 -6.875 -12.993 1.00 20.40 H new ATOM 0 HG LEU A 68 14.013 -7.193 -15.955 1.00 51.30 H new ATOM 0 HD11 LEU A 68 12.695 -5.130 -15.663 1.00 63.33 H new ATOM 0 HD12 LEU A 68 12.067 -6.462 -14.663 1.00 63.33 H new ATOM 0 HD13 LEU A 68 13.033 -5.167 -13.916 1.00 63.33 H new ATOM 0 HD21 LEU A 68 15.100 -4.994 -16.194 1.00 31.31 H new ATOM 0 HD22 LEU A 68 15.532 -5.025 -14.468 1.00 31.31 H new ATOM 0 HD23 LEU A 68 16.229 -6.225 -15.582 1.00 31.31 H new ATOM 782 N GLU A 69 16.595 -9.064 -11.859 1.00 2.32 N ATOM 783 CA GLU A 69 16.732 -9.960 -10.717 1.00 22.11 C ATOM 784 C GLU A 69 16.123 -9.339 -9.462 1.00 74.23 C ATOM 785 O GLU A 69 16.618 -8.335 -8.949 1.00 75.21 O ATOM 786 CB GLU A 69 18.206 -10.288 -10.472 1.00 22.11 C ATOM 787 CG GLU A 69 18.952 -10.713 -11.726 1.00 20.02 C ATOM 788 CD GLU A 69 19.931 -9.661 -12.208 1.00 31.14 C ATOM 789 OE1 GLU A 69 21.099 -9.692 -11.766 1.00 73.31 O ATOM 790 OE2 GLU A 69 19.530 -8.806 -13.025 1.00 61.04 O ATOM 0 H GLU A 69 17.149 -8.210 -11.794 1.00 2.32 H new ATOM 0 HA GLU A 69 16.195 -10.881 -10.944 1.00 22.11 H new ATOM 0 HB2 GLU A 69 18.698 -9.414 -10.046 1.00 22.11 H new ATOM 0 HB3 GLU A 69 18.274 -11.085 -9.731 1.00 22.11 H new ATOM 0 HG2 GLU A 69 19.490 -11.640 -11.528 1.00 20.02 H new ATOM 0 HG3 GLU A 69 18.233 -10.925 -12.518 1.00 20.02 H new ATOM 797 N LEU A 70 15.047 -9.945 -8.974 1.00 75.11 N ATOM 798 CA LEU A 70 14.368 -9.453 -7.780 1.00 33.43 C ATOM 799 C LEU A 70 15.239 -9.642 -6.542 1.00 13.55 C ATOM 800 O LEU A 70 14.955 -9.086 -5.480 1.00 71.13 O ATOM 801 CB LEU A 70 13.033 -10.177 -7.593 1.00 71.04 C ATOM 802 CG LEU A 70 13.050 -11.688 -7.827 1.00 4.12 C ATOM 803 CD1 LEU A 70 12.522 -12.423 -6.605 1.00 70.14 C ATOM 804 CD2 LEU A 70 12.235 -12.045 -9.061 1.00 74.41 C ATOM 0 H LEU A 70 14.626 -10.778 -9.386 1.00 75.11 H new ATOM 0 HA LEU A 70 14.181 -8.387 -7.912 1.00 33.43 H new ATOM 0 HB2 LEU A 70 12.681 -9.991 -6.579 1.00 71.04 H new ATOM 0 HB3 LEU A 70 12.304 -9.733 -8.270 1.00 71.04 H new ATOM 0 HG LEU A 70 14.081 -12.000 -7.995 1.00 4.12 H new ATOM 0 HD11 LEU A 70 12.541 -13.497 -6.790 1.00 70.14 H new ATOM 0 HD12 LEU A 70 13.148 -12.192 -5.743 1.00 70.14 H new ATOM 0 HD13 LEU A 70 11.498 -12.108 -6.405 1.00 70.14 H new ATOM 0 HD21 LEU A 70 12.258 -13.124 -9.213 1.00 74.41 H new ATOM 0 HD22 LEU A 70 11.204 -11.720 -8.923 1.00 74.41 H new ATOM 0 HD23 LEU A 70 12.658 -11.547 -9.933 1.00 74.41 H new ATOM 816 N ASP A 71 16.301 -10.427 -6.686 1.00 42.21 N ATOM 817 CA ASP A 71 17.216 -10.686 -5.581 1.00 34.12 C ATOM 818 C ASP A 71 18.216 -9.545 -5.424 1.00 53.40 C ATOM 819 O ASP A 71 18.979 -9.504 -4.459 1.00 53.14 O ATOM 820 CB ASP A 71 17.959 -12.004 -5.804 1.00 30.20 C ATOM 821 CG ASP A 71 18.079 -12.823 -4.533 1.00 43.15 C ATOM 822 OD1 ASP A 71 17.141 -12.783 -3.711 1.00 61.22 O ATOM 823 OD2 ASP A 71 19.113 -13.503 -4.362 1.00 41.33 O ATOM 0 H ASP A 71 16.549 -10.895 -7.558 1.00 42.21 H new ATOM 0 HA ASP A 71 16.629 -10.759 -4.666 1.00 34.12 H new ATOM 0 HB2 ASP A 71 17.437 -12.588 -6.562 1.00 30.20 H new ATOM 0 HB3 ASP A 71 18.955 -11.795 -6.193 1.00 30.20 H new ATOM 828 N GLN A 72 18.207 -8.620 -6.380 1.00 33.42 N ATOM 829 CA GLN A 72 19.114 -7.480 -6.348 1.00 5.01 C ATOM 830 C GLN A 72 18.353 -6.186 -6.084 1.00 51.14 C ATOM 831 O GLN A 72 18.947 -5.162 -5.746 1.00 51.21 O ATOM 832 CB GLN A 72 19.882 -7.375 -7.668 1.00 61.50 C ATOM 833 CG GLN A 72 20.928 -8.462 -7.851 1.00 23.10 C ATOM 834 CD GLN A 72 22.127 -7.989 -8.649 1.00 3.41 C ATOM 835 OE1 GLN A 72 23.095 -7.388 -7.965 1.00 54.34 O flip ATOM 836 NE2 GLN A 72 22.184 -8.162 -9.866 1.00 73.40 N flip ATOM 0 H GLN A 72 17.581 -8.639 -7.185 1.00 33.42 H new ATOM 0 HA GLN A 72 19.823 -7.635 -5.535 1.00 5.01 H new ATOM 0 HB2 GLN A 72 19.174 -7.421 -8.495 1.00 61.50 H new ATOM 0 HB3 GLN A 72 20.369 -6.401 -7.719 1.00 61.50 H new ATOM 0 HG2 GLN A 72 21.261 -8.809 -6.873 1.00 23.10 H new ATOM 0 HG3 GLN A 72 20.475 -9.316 -8.355 1.00 23.10 H new ATOM 0 HE21 GLN A 72 21.418 -8.629 -10.351 1.00 73.40 H new ATOM 0 HE22 GLN A 72 22.998 -7.839 -10.389 1.00 73.40 H new ATOM 845 N VAL A 73 17.034 -6.238 -6.244 1.00 32.03 N ATOM 846 CA VAL A 73 16.191 -5.069 -6.022 1.00 54.02 C ATOM 847 C VAL A 73 16.103 -4.727 -4.539 1.00 22.13 C ATOM 848 O VAL A 73 16.809 -5.310 -3.715 1.00 53.42 O ATOM 849 CB VAL A 73 14.769 -5.291 -6.571 1.00 60.40 C ATOM 850 CG1 VAL A 73 14.817 -5.674 -8.042 1.00 61.42 C ATOM 851 CG2 VAL A 73 14.045 -6.354 -5.758 1.00 54.33 C ATOM 0 H VAL A 73 16.527 -7.077 -6.526 1.00 32.03 H new ATOM 0 HA VAL A 73 16.654 -4.239 -6.556 1.00 54.02 H new ATOM 0 HB VAL A 73 14.214 -4.357 -6.482 1.00 60.40 H new ATOM 0 HG11 VAL A 73 13.803 -5.827 -8.412 1.00 61.42 H new ATOM 0 HG12 VAL A 73 15.294 -4.876 -8.610 1.00 61.42 H new ATOM 0 HG13 VAL A 73 15.388 -6.595 -8.160 1.00 61.42 H new ATOM 0 HG21 VAL A 73 13.042 -6.498 -6.159 1.00 54.33 H new ATOM 0 HG22 VAL A 73 14.597 -7.293 -5.813 1.00 54.33 H new ATOM 0 HG23 VAL A 73 13.977 -6.034 -4.718 1.00 54.33 H new ATOM 861 N ASP A 74 15.234 -3.780 -4.206 1.00 72.50 N ATOM 862 CA ASP A 74 15.053 -3.361 -2.821 1.00 73.43 C ATOM 863 C ASP A 74 13.789 -3.976 -2.229 1.00 15.34 C ATOM 864 O ASP A 74 13.640 -4.061 -1.009 1.00 10.23 O ATOM 865 CB ASP A 74 14.983 -1.836 -2.732 1.00 74.04 C ATOM 866 CG ASP A 74 16.353 -1.190 -2.777 1.00 71.11 C ATOM 867 OD1 ASP A 74 17.168 -1.588 -3.635 1.00 3.42 O ATOM 868 OD2 ASP A 74 16.611 -0.287 -1.954 1.00 2.54 O ATOM 0 H ASP A 74 14.643 -3.288 -4.876 1.00 72.50 H new ATOM 0 HA ASP A 74 15.910 -3.711 -2.246 1.00 73.43 H new ATOM 0 HB2 ASP A 74 14.377 -1.454 -3.554 1.00 74.04 H new ATOM 0 HB3 ASP A 74 14.481 -1.552 -1.807 1.00 74.04 H new ATOM 873 N ASP A 75 12.880 -4.403 -3.099 1.00 0.45 N ATOM 874 CA ASP A 75 11.628 -5.010 -2.662 1.00 0.54 C ATOM 875 C ASP A 75 11.648 -6.518 -2.887 1.00 51.25 C ATOM 876 O ASP A 75 10.606 -7.137 -3.103 1.00 24.32 O ATOM 877 CB ASP A 75 10.447 -4.385 -3.405 1.00 32.30 C ATOM 878 CG ASP A 75 10.785 -4.036 -4.842 1.00 33.33 C ATOM 879 OD1 ASP A 75 11.206 -4.945 -5.589 1.00 0.35 O ATOM 880 OD2 ASP A 75 10.628 -2.856 -5.217 1.00 63.02 O ATOM 0 H ASP A 75 12.987 -4.340 -4.111 1.00 0.45 H new ATOM 0 HA ASP A 75 11.515 -4.822 -1.594 1.00 0.54 H new ATOM 0 HB2 ASP A 75 9.605 -5.077 -3.391 1.00 32.30 H new ATOM 0 HB3 ASP A 75 10.128 -3.484 -2.881 1.00 32.30 H new ATOM 885 N GLY A 76 12.841 -7.103 -2.839 1.00 75.41 N ATOM 886 CA GLY A 76 12.973 -8.535 -3.042 1.00 43.40 C ATOM 887 C GLY A 76 12.027 -9.334 -2.168 1.00 52.13 C ATOM 888 O GLY A 76 11.719 -10.487 -2.469 1.00 45.21 O ATOM 0 H GLY A 76 13.718 -6.612 -2.663 1.00 75.41 H new ATOM 0 HA2 GLY A 76 12.781 -8.770 -4.089 1.00 43.40 H new ATOM 0 HA3 GLY A 76 13.999 -8.836 -2.831 1.00 43.40 H new ATOM 892 N ALA A 77 11.566 -8.722 -1.082 1.00 44.03 N ATOM 893 CA ALA A 77 10.649 -9.384 -0.162 1.00 44.25 C ATOM 894 C ALA A 77 9.238 -9.437 -0.737 1.00 43.53 C ATOM 895 O ALA A 77 8.660 -10.512 -0.891 1.00 74.35 O ATOM 896 CB ALA A 77 10.648 -8.675 1.183 1.00 51.00 C ATOM 0 H ALA A 77 11.813 -7.768 -0.818 1.00 44.03 H new ATOM 0 HA ALA A 77 10.993 -10.408 -0.019 1.00 44.25 H new ATOM 0 HB1 ALA A 77 9.959 -9.180 1.860 1.00 51.00 H new ATOM 0 HB2 ALA A 77 11.652 -8.695 1.606 1.00 51.00 H new ATOM 0 HB3 ALA A 77 10.332 -7.641 1.049 1.00 51.00 H new ATOM 902 N SER A 78 8.689 -8.267 -1.051 1.00 73.41 N ATOM 903 CA SER A 78 7.342 -8.180 -1.605 1.00 11.31 C ATOM 904 C SER A 78 7.332 -8.585 -3.076 1.00 35.25 C ATOM 905 O SER A 78 6.512 -9.399 -3.501 1.00 73.13 O ATOM 906 CB SER A 78 6.796 -6.759 -1.452 1.00 2.23 C ATOM 907 OG SER A 78 6.608 -6.430 -0.086 1.00 54.41 O ATOM 0 H SER A 78 9.155 -7.368 -0.931 1.00 73.41 H new ATOM 0 HA SER A 78 6.703 -8.869 -1.052 1.00 11.31 H new ATOM 0 HB2 SER A 78 7.486 -6.050 -1.909 1.00 2.23 H new ATOM 0 HB3 SER A 78 5.849 -6.670 -1.984 1.00 2.23 H new ATOM 0 HG SER A 78 6.260 -5.517 -0.014 1.00 54.41 H new ATOM 913 N VAL A 79 8.249 -8.012 -3.847 1.00 1.01 N ATOM 914 CA VAL A 79 8.348 -8.313 -5.271 1.00 3.33 C ATOM 915 C VAL A 79 8.326 -9.818 -5.516 1.00 53.34 C ATOM 916 O VAL A 79 7.728 -10.288 -6.483 1.00 62.25 O ATOM 917 CB VAL A 79 9.632 -7.722 -5.881 1.00 61.13 C ATOM 918 CG1 VAL A 79 10.829 -8.610 -5.570 1.00 11.32 C ATOM 919 CG2 VAL A 79 9.472 -7.538 -7.383 1.00 73.21 C ATOM 0 H VAL A 79 8.935 -7.336 -3.510 1.00 1.01 H new ATOM 0 HA VAL A 79 7.483 -7.857 -5.753 1.00 3.33 H new ATOM 0 HB VAL A 79 9.809 -6.744 -5.434 1.00 61.13 H new ATOM 0 HG11 VAL A 79 11.728 -8.176 -6.009 1.00 11.32 H new ATOM 0 HG12 VAL A 79 10.954 -8.687 -4.490 1.00 11.32 H new ATOM 0 HG13 VAL A 79 10.664 -9.603 -5.988 1.00 11.32 H new ATOM 0 HG21 VAL A 79 10.389 -7.119 -7.798 1.00 73.21 H new ATOM 0 HG22 VAL A 79 9.271 -8.503 -7.848 1.00 73.21 H new ATOM 0 HG23 VAL A 79 8.642 -6.860 -7.580 1.00 73.21 H new ATOM 929 N GLN A 80 8.981 -10.566 -4.635 1.00 41.51 N ATOM 930 CA GLN A 80 9.037 -12.018 -4.757 1.00 43.33 C ATOM 931 C GLN A 80 7.839 -12.667 -4.074 1.00 34.14 C ATOM 932 O GLN A 80 7.454 -13.787 -4.409 1.00 52.50 O ATOM 933 CB GLN A 80 10.336 -12.552 -4.152 1.00 51.34 C ATOM 934 CG GLN A 80 10.646 -13.987 -4.548 1.00 11.41 C ATOM 935 CD GLN A 80 10.360 -14.974 -3.434 1.00 74.32 C ATOM 936 OE1 GLN A 80 9.449 -14.774 -2.630 1.00 52.42 O ATOM 937 NE2 GLN A 80 11.139 -16.049 -3.380 1.00 13.40 N ATOM 0 H GLN A 80 9.481 -10.191 -3.829 1.00 41.51 H new ATOM 0 HA GLN A 80 9.008 -12.270 -5.817 1.00 43.33 H new ATOM 0 HB2 GLN A 80 11.162 -11.912 -4.462 1.00 51.34 H new ATOM 0 HB3 GLN A 80 10.274 -12.489 -3.066 1.00 51.34 H new ATOM 0 HG2 GLN A 80 10.056 -14.254 -5.425 1.00 11.41 H new ATOM 0 HG3 GLN A 80 11.695 -14.062 -4.835 1.00 11.41 H new ATOM 0 HE21 GLN A 80 11.883 -16.175 -4.067 1.00 13.40 H new ATOM 0 HE22 GLN A 80 10.993 -16.748 -2.652 1.00 13.40 H new ATOM 946 N GLU A 81 7.254 -11.958 -3.114 1.00 40.52 N ATOM 947 CA GLU A 81 6.100 -12.467 -2.383 1.00 55.50 C ATOM 948 C GLU A 81 4.901 -12.641 -3.311 1.00 25.03 C ATOM 949 O GLU A 81 4.203 -13.653 -3.259 1.00 21.25 O ATOM 950 CB GLU A 81 5.737 -11.522 -1.235 1.00 31.54 C ATOM 951 CG GLU A 81 4.475 -11.924 -0.490 1.00 60.32 C ATOM 952 CD GLU A 81 4.699 -12.070 1.001 1.00 25.54 C ATOM 953 OE1 GLU A 81 5.428 -13.002 1.404 1.00 12.44 O ATOM 954 OE2 GLU A 81 4.147 -11.253 1.767 1.00 14.13 O ATOM 0 H GLU A 81 7.560 -11.029 -2.824 1.00 40.52 H new ATOM 0 HA GLU A 81 6.364 -13.441 -1.972 1.00 55.50 H new ATOM 0 HB2 GLU A 81 6.568 -11.484 -0.531 1.00 31.54 H new ATOM 0 HB3 GLU A 81 5.609 -10.515 -1.632 1.00 31.54 H new ATOM 0 HG2 GLU A 81 3.701 -11.177 -0.666 1.00 60.32 H new ATOM 0 HG3 GLU A 81 4.105 -12.867 -0.892 1.00 60.32 H new ATOM 961 N VAL A 82 4.669 -11.645 -4.160 1.00 34.24 N ATOM 962 CA VAL A 82 3.555 -11.686 -5.101 1.00 31.34 C ATOM 963 C VAL A 82 3.949 -12.402 -6.387 1.00 63.14 C ATOM 964 O VAL A 82 3.094 -12.894 -7.124 1.00 64.34 O ATOM 965 CB VAL A 82 3.058 -10.270 -5.445 1.00 35.02 C ATOM 966 CG1 VAL A 82 1.572 -10.291 -5.773 1.00 44.43 C ATOM 967 CG2 VAL A 82 3.345 -9.312 -4.299 1.00 50.03 C ATOM 0 H VAL A 82 5.237 -10.800 -4.216 1.00 34.24 H new ATOM 0 HA VAL A 82 2.750 -12.236 -4.615 1.00 31.34 H new ATOM 0 HB VAL A 82 3.596 -9.919 -6.326 1.00 35.02 H new ATOM 0 HG11 VAL A 82 1.238 -9.282 -6.014 1.00 44.43 H new ATOM 0 HG12 VAL A 82 1.397 -10.944 -6.628 1.00 44.43 H new ATOM 0 HG13 VAL A 82 1.015 -10.662 -4.913 1.00 44.43 H new ATOM 0 HG21 VAL A 82 2.987 -8.316 -4.559 1.00 50.03 H new ATOM 0 HG22 VAL A 82 2.835 -9.657 -3.400 1.00 50.03 H new ATOM 0 HG23 VAL A 82 4.419 -9.275 -4.116 1.00 50.03 H new ATOM 977 N LEU A 83 5.250 -12.456 -6.653 1.00 63.33 N ATOM 978 CA LEU A 83 5.760 -13.112 -7.852 1.00 62.25 C ATOM 979 C LEU A 83 5.807 -14.625 -7.666 1.00 72.33 C ATOM 980 O LEU A 83 5.335 -15.382 -8.516 1.00 14.42 O ATOM 981 CB LEU A 83 7.155 -12.584 -8.193 1.00 31.35 C ATOM 982 CG LEU A 83 7.210 -11.419 -9.181 1.00 14.12 C ATOM 983 CD1 LEU A 83 8.595 -10.794 -9.192 1.00 11.31 C ATOM 984 CD2 LEU A 83 6.821 -11.885 -10.576 1.00 0.41 C ATOM 0 H LEU A 83 5.971 -12.053 -6.054 1.00 63.33 H new ATOM 0 HA LEU A 83 5.083 -12.887 -8.676 1.00 62.25 H new ATOM 0 HB2 LEU A 83 7.640 -12.272 -7.268 1.00 31.35 H new ATOM 0 HB3 LEU A 83 7.743 -13.407 -8.599 1.00 31.35 H new ATOM 0 HG LEU A 83 6.495 -10.661 -8.861 1.00 14.12 H new ATOM 0 HD11 LEU A 83 8.615 -9.966 -9.901 1.00 11.31 H new ATOM 0 HD12 LEU A 83 8.835 -10.424 -8.195 1.00 11.31 H new ATOM 0 HD13 LEU A 83 9.330 -11.543 -9.487 1.00 11.31 H new ATOM 0 HD21 LEU A 83 6.866 -11.043 -11.267 1.00 0.41 H new ATOM 0 HD22 LEU A 83 7.511 -12.662 -10.906 1.00 0.41 H new ATOM 0 HD23 LEU A 83 5.807 -12.285 -10.557 1.00 0.41 H new ATOM 996 N THR A 84 6.379 -15.062 -6.549 1.00 72.21 N ATOM 997 CA THR A 84 6.487 -16.484 -6.251 1.00 71.10 C ATOM 998 C THR A 84 5.119 -17.157 -6.275 1.00 3.14 C ATOM 999 O THR A 84 5.015 -18.364 -6.487 1.00 73.12 O ATOM 1000 CB THR A 84 7.140 -16.722 -4.875 1.00 53.13 C ATOM 1001 OG1 THR A 84 8.541 -16.436 -4.942 1.00 41.21 O ATOM 1002 CG2 THR A 84 6.932 -18.158 -4.419 1.00 13.03 C ATOM 0 H THR A 84 6.775 -14.451 -5.835 1.00 72.21 H new ATOM 0 HA THR A 84 7.117 -16.922 -7.025 1.00 71.10 H new ATOM 0 HB THR A 84 6.668 -16.056 -4.153 1.00 53.13 H new ATOM 0 HG1 THR A 84 9.036 -17.102 -4.421 1.00 41.21 H new ATOM 0 HG21 THR A 84 7.401 -18.302 -3.446 1.00 13.03 H new ATOM 0 HG22 THR A 84 5.864 -18.364 -4.341 1.00 13.03 H new ATOM 0 HG23 THR A 84 7.381 -18.838 -5.143 1.00 13.03 H new ATOM 1010 N GLU A 85 4.072 -16.367 -6.056 1.00 4.15 N ATOM 1011 CA GLU A 85 2.711 -16.887 -6.052 1.00 72.11 C ATOM 1012 C GLU A 85 2.179 -17.029 -7.475 1.00 71.42 C ATOM 1013 O GLU A 85 1.262 -17.811 -7.731 1.00 73.12 O ATOM 1014 CB GLU A 85 1.792 -15.970 -5.242 1.00 71.10 C ATOM 1015 CG GLU A 85 1.326 -16.579 -3.931 1.00 35.30 C ATOM 1016 CD GLU A 85 1.944 -15.906 -2.721 1.00 45.30 C ATOM 1017 OE1 GLU A 85 1.876 -14.662 -2.636 1.00 53.50 O ATOM 1018 OE2 GLU A 85 2.498 -16.622 -1.861 1.00 44.15 O ATOM 0 H GLU A 85 4.141 -15.365 -5.879 1.00 4.15 H new ATOM 0 HA GLU A 85 2.728 -17.873 -5.588 1.00 72.11 H new ATOM 0 HB2 GLU A 85 2.316 -15.037 -5.034 1.00 71.10 H new ATOM 0 HB3 GLU A 85 0.920 -15.718 -5.846 1.00 71.10 H new ATOM 0 HG2 GLU A 85 0.240 -16.506 -3.867 1.00 35.30 H new ATOM 0 HG3 GLU A 85 1.576 -17.640 -3.919 1.00 35.30 H new ATOM 1025 N ILE A 86 2.761 -16.269 -8.396 1.00 53.22 N ATOM 1026 CA ILE A 86 2.346 -16.310 -9.794 1.00 11.24 C ATOM 1027 C ILE A 86 2.454 -17.722 -10.357 1.00 21.42 C ATOM 1028 O ILE A 86 1.598 -18.163 -11.125 1.00 10.34 O ATOM 1029 CB ILE A 86 3.191 -15.358 -10.659 1.00 44.22 C ATOM 1030 CG1 ILE A 86 3.052 -13.918 -10.157 1.00 64.31 C ATOM 1031 CG2 ILE A 86 2.773 -15.457 -12.119 1.00 3.13 C ATOM 1032 CD1 ILE A 86 3.820 -12.912 -10.987 1.00 75.20 C ATOM 0 H ILE A 86 3.521 -15.617 -8.200 1.00 53.22 H new ATOM 0 HA ILE A 86 1.305 -15.988 -9.825 1.00 11.24 H new ATOM 0 HB ILE A 86 4.238 -15.652 -10.579 1.00 44.22 H new ATOM 0 HG12 ILE A 86 1.997 -13.644 -10.152 1.00 64.31 H new ATOM 0 HG13 ILE A 86 3.399 -13.866 -9.125 1.00 64.31 H new ATOM 0 HG21 ILE A 86 3.380 -14.778 -12.718 1.00 3.13 H new ATOM 0 HG22 ILE A 86 2.918 -16.479 -12.470 1.00 3.13 H new ATOM 0 HG23 ILE A 86 1.722 -15.186 -12.216 1.00 3.13 H new ATOM 0 HD11 ILE A 86 3.676 -11.914 -10.574 1.00 75.20 H new ATOM 0 HD12 ILE A 86 4.881 -13.162 -10.971 1.00 75.20 H new ATOM 0 HD13 ILE A 86 3.457 -12.935 -12.015 1.00 75.20 H new ATOM 1044 N SER A 87 3.512 -18.429 -9.970 1.00 75.35 N ATOM 1045 CA SER A 87 3.734 -19.792 -10.439 1.00 34.45 C ATOM 1046 C SER A 87 3.768 -20.770 -9.269 1.00 12.44 C ATOM 1047 O SER A 87 3.707 -21.984 -9.458 1.00 5.41 O ATOM 1048 CB SER A 87 5.043 -19.876 -11.227 1.00 34.01 C ATOM 1049 OG SER A 87 4.860 -20.574 -12.446 1.00 35.52 O ATOM 0 H SER A 87 4.228 -18.080 -9.333 1.00 75.35 H new ATOM 0 HA SER A 87 2.906 -20.064 -11.094 1.00 34.45 H new ATOM 0 HB2 SER A 87 5.413 -18.871 -11.432 1.00 34.01 H new ATOM 0 HB3 SER A 87 5.801 -20.379 -10.627 1.00 34.01 H new ATOM 0 HG SER A 87 5.571 -21.240 -12.552 1.00 35.52 H new ATOM 1055 N ASN A 88 3.864 -20.231 -8.058 1.00 2.32 N ATOM 1056 CA ASN A 88 3.906 -21.055 -6.855 1.00 41.20 C ATOM 1057 C ASN A 88 5.055 -22.055 -6.921 1.00 64.45 C ATOM 1058 O ASN A 88 4.901 -23.217 -6.547 1.00 70.52 O ATOM 1059 CB ASN A 88 2.580 -21.796 -6.672 1.00 52.31 C ATOM 1060 CG ASN A 88 2.231 -22.001 -5.211 1.00 35.45 C ATOM 1061 OD1 ASN A 88 2.057 -23.133 -4.756 1.00 44.44 O ATOM 1062 ND2 ASN A 88 2.124 -20.907 -4.468 1.00 5.34 N ATOM 0 H ASN A 88 3.914 -19.227 -7.884 1.00 2.32 H new ATOM 0 HA ASN A 88 4.068 -20.398 -6.000 1.00 41.20 H new ATOM 0 HB2 ASN A 88 1.782 -21.234 -7.158 1.00 52.31 H new ATOM 0 HB3 ASN A 88 2.636 -22.764 -7.169 1.00 52.31 H new ATOM 0 HD21 ASN A 88 1.889 -20.984 -3.478 1.00 5.34 H new ATOM 0 HD22 ASN A 88 2.277 -19.989 -4.886 1.00 5.34 H new ATOM 1069 N GLN A 89 6.207 -21.596 -7.401 1.00 12.11 N ATOM 1070 CA GLN A 89 7.382 -22.451 -7.516 1.00 71.43 C ATOM 1071 C GLN A 89 8.514 -21.945 -6.627 1.00 33.10 C ATOM 1072 O GLN A 89 8.611 -20.751 -6.347 1.00 52.34 O ATOM 1073 CB GLN A 89 7.851 -22.515 -8.971 1.00 70.05 C ATOM 1074 CG GLN A 89 7.184 -23.618 -9.777 1.00 70.20 C ATOM 1075 CD GLN A 89 6.332 -23.079 -10.910 1.00 24.31 C ATOM 1076 OE1 GLN A 89 6.920 -22.220 -11.736 1.00 21.20 O flip ATOM 1077 NE2 GLN A 89 5.160 -23.430 -11.042 1.00 75.53 N flip ATOM 0 H GLN A 89 6.351 -20.637 -7.716 1.00 12.11 H new ATOM 0 HA GLN A 89 7.105 -23.452 -7.185 1.00 71.43 H new ATOM 0 HB2 GLN A 89 7.654 -21.556 -9.450 1.00 70.05 H new ATOM 0 HB3 GLN A 89 8.931 -22.665 -8.990 1.00 70.05 H new ATOM 0 HG2 GLN A 89 7.949 -24.278 -10.185 1.00 70.20 H new ATOM 0 HG3 GLN A 89 6.563 -24.221 -9.115 1.00 70.20 H new ATOM 0 HE21 GLN A 89 4.749 -24.092 -10.384 1.00 75.53 H new ATOM 0 HE22 GLN A 89 4.600 -23.059 -11.809 1.00 75.53 H new ATOM 1086 N LYS A 90 9.367 -22.863 -6.185 1.00 35.14 N ATOM 1087 CA LYS A 90 10.492 -22.511 -5.327 1.00 51.12 C ATOM 1088 C LYS A 90 11.221 -21.282 -5.863 1.00 32.43 C ATOM 1089 O LYS A 90 11.616 -20.400 -5.099 1.00 61.14 O ATOM 1090 CB LYS A 90 11.466 -23.688 -5.220 1.00 75.22 C ATOM 1091 CG LYS A 90 11.928 -23.967 -3.802 1.00 1.42 C ATOM 1092 CD LYS A 90 12.871 -25.157 -3.747 1.00 25.12 C ATOM 1093 CE LYS A 90 13.364 -25.413 -2.330 1.00 3.42 C ATOM 1094 NZ LYS A 90 12.239 -25.683 -1.393 1.00 31.35 N ATOM 0 H LYS A 90 9.301 -23.856 -6.407 1.00 35.14 H new ATOM 0 HA LYS A 90 10.102 -22.278 -4.336 1.00 51.12 H new ATOM 0 HB2 LYS A 90 10.988 -24.582 -5.620 1.00 75.22 H new ATOM 0 HB3 LYS A 90 12.337 -23.486 -5.844 1.00 75.22 H new ATOM 0 HG2 LYS A 90 12.429 -23.086 -3.402 1.00 1.42 H new ATOM 0 HG3 LYS A 90 11.063 -24.158 -3.167 1.00 1.42 H new ATOM 0 HD2 LYS A 90 12.361 -26.044 -4.122 1.00 25.12 H new ATOM 0 HD3 LYS A 90 13.723 -24.978 -4.403 1.00 25.12 H new ATOM 0 HE2 LYS A 90 14.048 -26.262 -2.331 1.00 3.42 H new ATOM 0 HE3 LYS A 90 13.929 -24.549 -1.980 1.00 3.42 H new ATOM 0 HZ1 LYS A 90 12.615 -26.049 -0.495 1.00 31.35 H new ATOM 0 HZ2 LYS A 90 11.716 -24.802 -1.215 1.00 31.35 H new ATOM 0 HZ3 LYS A 90 11.599 -26.387 -1.813 1.00 31.35 H new ATOM 1108 N THR A 91 11.395 -21.230 -7.180 1.00 71.11 N ATOM 1109 CA THR A 91 12.075 -20.109 -7.817 1.00 30.34 C ATOM 1110 C THR A 91 11.088 -19.013 -8.200 1.00 14.43 C ATOM 1111 O THR A 91 9.900 -19.096 -7.887 1.00 22.04 O ATOM 1112 CB THR A 91 12.839 -20.559 -9.076 1.00 1.43 C ATOM 1113 OG1 THR A 91 12.129 -21.617 -9.729 1.00 43.12 O ATOM 1114 CG2 THR A 91 14.243 -21.027 -8.720 1.00 35.15 C ATOM 0 H THR A 91 11.074 -21.951 -7.826 1.00 71.11 H new ATOM 0 HA THR A 91 12.786 -19.716 -7.090 1.00 30.34 H new ATOM 0 HB THR A 91 12.918 -19.706 -9.750 1.00 1.43 H new ATOM 0 HG1 THR A 91 12.621 -21.896 -10.529 1.00 43.12 H new ATOM 0 HG21 THR A 91 14.763 -21.340 -9.626 1.00 35.15 H new ATOM 0 HG22 THR A 91 14.791 -20.210 -8.251 1.00 35.15 H new ATOM 0 HG23 THR A 91 14.182 -21.867 -8.028 1.00 35.15 H new ATOM 1122 N VAL A 92 11.587 -17.984 -8.879 1.00 34.23 N ATOM 1123 CA VAL A 92 10.747 -16.871 -9.305 1.00 64.45 C ATOM 1124 C VAL A 92 10.667 -16.796 -10.827 1.00 21.25 C ATOM 1125 O VAL A 92 10.952 -15.766 -11.438 1.00 24.02 O ATOM 1126 CB VAL A 92 11.276 -15.530 -8.764 1.00 2.34 C ATOM 1127 CG1 VAL A 92 10.173 -14.482 -8.764 1.00 31.21 C ATOM 1128 CG2 VAL A 92 11.852 -15.710 -7.367 1.00 14.13 C ATOM 0 H VAL A 92 12.568 -17.899 -9.145 1.00 34.23 H new ATOM 0 HA VAL A 92 9.752 -17.051 -8.899 1.00 64.45 H new ATOM 0 HB VAL A 92 12.074 -15.182 -9.420 1.00 2.34 H new ATOM 0 HG11 VAL A 92 10.565 -13.541 -8.378 1.00 31.21 H new ATOM 0 HG12 VAL A 92 9.811 -14.335 -9.782 1.00 31.21 H new ATOM 0 HG13 VAL A 92 9.351 -14.819 -8.132 1.00 31.21 H new ATOM 0 HG21 VAL A 92 12.221 -14.753 -7.000 1.00 14.13 H new ATOM 0 HG22 VAL A 92 11.075 -16.080 -6.698 1.00 14.13 H new ATOM 0 HG23 VAL A 92 12.673 -16.427 -7.401 1.00 14.13 H new ATOM 1138 N PRO A 93 10.269 -17.913 -11.453 1.00 51.23 N ATOM 1139 CA PRO A 93 10.140 -17.998 -12.911 1.00 44.03 C ATOM 1140 C PRO A 93 8.975 -17.169 -13.441 1.00 5.04 C ATOM 1141 O PRO A 93 7.826 -17.378 -13.054 1.00 20.03 O ATOM 1142 CB PRO A 93 9.890 -19.488 -13.159 1.00 4.03 C ATOM 1143 CG PRO A 93 9.288 -19.986 -11.890 1.00 61.30 C ATOM 1144 CD PRO A 93 9.913 -19.177 -10.788 1.00 42.42 C ATOM 0 HA PRO A 93 11.021 -17.608 -13.420 1.00 44.03 H new ATOM 0 HB2 PRO A 93 9.218 -19.642 -14.003 1.00 4.03 H new ATOM 0 HB3 PRO A 93 10.817 -20.012 -13.390 1.00 4.03 H new ATOM 0 HG2 PRO A 93 8.205 -19.863 -11.898 1.00 61.30 H new ATOM 0 HG3 PRO A 93 9.487 -21.049 -11.755 1.00 61.30 H new ATOM 0 HD2 PRO A 93 9.218 -19.016 -9.964 1.00 42.42 H new ATOM 0 HD3 PRO A 93 10.790 -19.674 -10.373 1.00 42.42 H new ATOM 1152 N ASN A 94 9.280 -16.227 -14.327 1.00 42.13 N ATOM 1153 CA ASN A 94 8.258 -15.364 -14.909 1.00 33.41 C ATOM 1154 C ASN A 94 8.468 -15.210 -16.412 1.00 64.23 C ATOM 1155 O ASN A 94 9.415 -14.558 -16.853 1.00 70.44 O ATOM 1156 CB ASN A 94 8.277 -13.990 -14.236 1.00 71.20 C ATOM 1157 CG ASN A 94 7.162 -13.829 -13.221 1.00 14.13 C ATOM 1158 OD1 ASN A 94 6.344 -12.914 -13.320 1.00 44.02 O ATOM 1159 ND2 ASN A 94 7.124 -14.720 -12.236 1.00 44.45 N ATOM 0 H ASN A 94 10.227 -16.041 -14.658 1.00 42.13 H new ATOM 0 HA ASN A 94 7.287 -15.829 -14.742 1.00 33.41 H new ATOM 0 HB2 ASN A 94 9.238 -13.843 -13.743 1.00 71.20 H new ATOM 0 HB3 ASN A 94 8.187 -13.214 -14.997 1.00 71.20 H new ATOM 0 HD21 ASN A 94 6.397 -14.662 -11.523 1.00 44.45 H new ATOM 0 HD22 ASN A 94 7.822 -15.462 -12.193 1.00 44.45 H new ATOM 1166 N ILE A 95 7.578 -15.813 -17.194 1.00 25.45 N ATOM 1167 CA ILE A 95 7.666 -15.742 -18.646 1.00 74.33 C ATOM 1168 C ILE A 95 6.367 -15.215 -19.249 1.00 45.11 C ATOM 1169 O ILE A 95 5.374 -15.937 -19.341 1.00 5.31 O ATOM 1170 CB ILE A 95 7.981 -17.119 -19.261 1.00 11.15 C ATOM 1171 CG1 ILE A 95 7.329 -18.231 -18.436 1.00 54.11 C ATOM 1172 CG2 ILE A 95 9.486 -17.328 -19.345 1.00 31.44 C ATOM 1173 CD1 ILE A 95 8.181 -18.707 -17.282 1.00 24.43 C ATOM 0 H ILE A 95 6.788 -16.356 -16.845 1.00 25.45 H new ATOM 0 HA ILE A 95 8.480 -15.055 -18.879 1.00 74.33 H new ATOM 0 HB ILE A 95 7.571 -17.153 -20.270 1.00 11.15 H new ATOM 0 HG12 ILE A 95 6.375 -17.873 -18.049 1.00 54.11 H new ATOM 0 HG13 ILE A 95 7.111 -19.076 -19.089 1.00 54.11 H new ATOM 0 HG21 ILE A 95 9.694 -18.305 -19.781 1.00 31.44 H new ATOM 0 HG22 ILE A 95 9.927 -16.551 -19.969 1.00 31.44 H new ATOM 0 HG23 ILE A 95 9.917 -17.278 -18.345 1.00 31.44 H new ATOM 0 HD11 ILE A 95 7.655 -19.495 -16.742 1.00 24.43 H new ATOM 0 HD12 ILE A 95 9.125 -19.096 -17.663 1.00 24.43 H new ATOM 0 HD13 ILE A 95 8.378 -17.874 -16.607 1.00 24.43 H new ATOM 1185 N PHE A 96 6.383 -13.952 -19.661 1.00 11.13 N ATOM 1186 CA PHE A 96 5.208 -13.327 -20.257 1.00 52.30 C ATOM 1187 C PHE A 96 5.608 -12.375 -21.379 1.00 54.23 C ATOM 1188 O PHE A 96 6.315 -11.393 -21.154 1.00 33.11 O ATOM 1189 CB PHE A 96 4.410 -12.571 -19.192 1.00 21.24 C ATOM 1190 CG PHE A 96 4.142 -13.383 -17.956 1.00 3.52 C ATOM 1191 CD1 PHE A 96 5.118 -13.531 -16.984 1.00 23.14 C ATOM 1192 CD2 PHE A 96 2.914 -13.996 -17.767 1.00 41.20 C ATOM 1193 CE1 PHE A 96 4.875 -14.277 -15.845 1.00 55.35 C ATOM 1194 CE2 PHE A 96 2.664 -14.741 -16.631 1.00 25.12 C ATOM 1195 CZ PHE A 96 3.646 -14.883 -15.669 1.00 62.35 C ATOM 0 H PHE A 96 7.197 -13.341 -19.593 1.00 11.13 H new ATOM 0 HA PHE A 96 4.583 -14.115 -20.678 1.00 52.30 H new ATOM 0 HB2 PHE A 96 4.954 -11.669 -18.914 1.00 21.24 H new ATOM 0 HB3 PHE A 96 3.460 -12.251 -19.620 1.00 21.24 H new ATOM 0 HD1 PHE A 96 6.080 -13.058 -17.117 1.00 23.14 H new ATOM 0 HD2 PHE A 96 2.143 -13.890 -18.516 1.00 41.20 H new ATOM 0 HE1 PHE A 96 5.644 -14.386 -15.095 1.00 55.35 H new ATOM 0 HE2 PHE A 96 1.702 -15.212 -16.495 1.00 25.12 H new ATOM 0 HZ PHE A 96 3.453 -15.467 -14.781 1.00 62.35 H new ATOM 1205 N VAL A 97 5.150 -12.673 -22.592 1.00 31.11 N ATOM 1206 CA VAL A 97 5.460 -11.844 -23.750 1.00 74.43 C ATOM 1207 C VAL A 97 4.186 -11.327 -24.412 1.00 24.02 C ATOM 1208 O VAL A 97 3.252 -12.086 -24.660 1.00 14.31 O ATOM 1209 CB VAL A 97 6.285 -12.622 -24.792 1.00 44.40 C ATOM 1210 CG1 VAL A 97 5.679 -13.994 -25.038 1.00 62.35 C ATOM 1211 CG2 VAL A 97 6.385 -11.833 -26.089 1.00 53.12 C ATOM 0 H VAL A 97 4.564 -13.482 -22.797 1.00 31.11 H new ATOM 0 HA VAL A 97 6.047 -11.000 -23.387 1.00 74.43 H new ATOM 0 HB VAL A 97 7.292 -12.762 -24.400 1.00 44.40 H new ATOM 0 HG11 VAL A 97 6.276 -14.528 -25.777 1.00 62.35 H new ATOM 0 HG12 VAL A 97 5.666 -14.558 -24.106 1.00 62.35 H new ATOM 0 HG13 VAL A 97 4.660 -13.881 -25.408 1.00 62.35 H new ATOM 0 HG21 VAL A 97 6.971 -12.398 -26.814 1.00 53.12 H new ATOM 0 HG22 VAL A 97 5.385 -11.659 -26.487 1.00 53.12 H new ATOM 0 HG23 VAL A 97 6.870 -10.876 -25.896 1.00 53.12 H new ATOM 1221 N ASN A 98 4.159 -10.029 -24.695 1.00 1.32 N ATOM 1222 CA ASN A 98 3.001 -9.408 -25.327 1.00 32.40 C ATOM 1223 C ASN A 98 1.779 -9.483 -24.417 1.00 14.33 C ATOM 1224 O ASN A 98 0.685 -9.838 -24.854 1.00 54.24 O ATOM 1225 CB ASN A 98 2.698 -10.090 -26.663 1.00 14.33 C ATOM 1226 CG ASN A 98 2.181 -9.115 -27.704 1.00 74.24 C ATOM 1227 OD1 ASN A 98 1.024 -8.697 -27.659 1.00 73.22 O ATOM 1228 ND2 ASN A 98 3.039 -8.750 -28.650 1.00 31.32 N ATOM 0 H ASN A 98 4.926 -9.387 -24.497 1.00 1.32 H new ATOM 0 HA ASN A 98 3.235 -8.358 -25.506 1.00 32.40 H new ATOM 0 HB2 ASN A 98 3.602 -10.571 -27.036 1.00 14.33 H new ATOM 0 HB3 ASN A 98 1.960 -10.877 -26.507 1.00 14.33 H new ATOM 0 HD21 ASN A 98 2.748 -8.098 -29.378 1.00 31.32 H new ATOM 0 HD22 ASN A 98 3.989 -9.122 -28.648 1.00 31.32 H new ATOM 1235 N LYS A 99 1.974 -9.146 -23.146 1.00 35.42 N ATOM 1236 CA LYS A 99 0.888 -9.173 -22.172 1.00 5.31 C ATOM 1237 C LYS A 99 0.240 -10.552 -22.117 1.00 74.33 C ATOM 1238 O LYS A 99 -0.923 -10.688 -21.736 1.00 22.23 O ATOM 1239 CB LYS A 99 -0.164 -8.117 -22.521 1.00 23.44 C ATOM 1240 CG LYS A 99 0.429 -6.771 -22.904 1.00 70.41 C ATOM 1241 CD LYS A 99 0.559 -6.629 -24.411 1.00 41.13 C ATOM 1242 CE LYS A 99 0.426 -5.177 -24.847 1.00 72.32 C ATOM 1243 NZ LYS A 99 1.728 -4.458 -24.783 1.00 14.43 N ATOM 0 H LYS A 99 2.874 -8.851 -22.766 1.00 35.42 H new ATOM 0 HA LYS A 99 1.308 -8.949 -21.191 1.00 5.31 H new ATOM 0 HB2 LYS A 99 -0.775 -8.484 -23.346 1.00 23.44 H new ATOM 0 HB3 LYS A 99 -0.829 -7.982 -21.668 1.00 23.44 H new ATOM 0 HG2 LYS A 99 -0.201 -5.971 -22.515 1.00 70.41 H new ATOM 0 HG3 LYS A 99 1.409 -6.659 -22.441 1.00 70.41 H new ATOM 0 HD2 LYS A 99 1.524 -7.020 -24.733 1.00 41.13 H new ATOM 0 HD3 LYS A 99 -0.207 -7.229 -24.902 1.00 41.13 H new ATOM 0 HE2 LYS A 99 0.039 -5.137 -25.865 1.00 72.32 H new ATOM 0 HE3 LYS A 99 -0.300 -4.671 -24.210 1.00 72.32 H new ATOM 0 HZ1 LYS A 99 1.596 -3.472 -25.088 1.00 14.43 H new ATOM 0 HZ2 LYS A 99 2.086 -4.474 -23.807 1.00 14.43 H new ATOM 0 HZ3 LYS A 99 2.414 -4.925 -25.410 1.00 14.43 H new ATOM 1257 N VAL A 100 1.000 -11.574 -22.500 1.00 22.23 N ATOM 1258 CA VAL A 100 0.500 -12.943 -22.491 1.00 32.23 C ATOM 1259 C VAL A 100 1.367 -13.840 -21.614 1.00 51.40 C ATOM 1260 O VAL A 100 2.528 -13.528 -21.345 1.00 55.42 O ATOM 1261 CB VAL A 100 0.448 -13.531 -23.914 1.00 70.11 C ATOM 1262 CG1 VAL A 100 1.613 -14.482 -24.142 1.00 4.24 C ATOM 1263 CG2 VAL A 100 -0.879 -14.234 -24.151 1.00 75.32 C ATOM 0 H VAL A 100 1.964 -11.479 -22.820 1.00 22.23 H new ATOM 0 HA VAL A 100 -0.510 -12.908 -22.083 1.00 32.23 H new ATOM 0 HB VAL A 100 0.533 -12.713 -24.630 1.00 70.11 H new ATOM 0 HG11 VAL A 100 1.559 -14.887 -25.152 1.00 4.24 H new ATOM 0 HG12 VAL A 100 2.552 -13.943 -24.016 1.00 4.24 H new ATOM 0 HG13 VAL A 100 1.563 -15.298 -23.421 1.00 4.24 H new ATOM 0 HG21 VAL A 100 -0.899 -14.643 -25.161 1.00 75.32 H new ATOM 0 HG22 VAL A 100 -0.996 -15.042 -23.429 1.00 75.32 H new ATOM 0 HG23 VAL A 100 -1.695 -13.521 -24.033 1.00 75.32 H new ATOM 1273 N HIS A 101 0.797 -14.956 -21.172 1.00 31.25 N ATOM 1274 CA HIS A 101 1.519 -15.899 -20.325 1.00 21.11 C ATOM 1275 C HIS A 101 2.102 -17.039 -21.156 1.00 34.02 C ATOM 1276 O HIS A 101 1.417 -17.619 -21.998 1.00 30.42 O ATOM 1277 CB HIS A 101 0.592 -16.461 -19.246 1.00 31.04 C ATOM 1278 CG HIS A 101 -0.719 -16.950 -19.778 1.00 32.10 C ATOM 1279 ND1 HIS A 101 -1.899 -16.252 -19.629 1.00 53.14 N ATOM 1280 CD2 HIS A 101 -1.033 -18.075 -20.463 1.00 43.32 C ATOM 1281 CE1 HIS A 101 -2.882 -16.927 -20.198 1.00 21.41 C ATOM 1282 NE2 HIS A 101 -2.382 -18.037 -20.712 1.00 74.33 N ATOM 0 H HIS A 101 -0.162 -15.230 -21.386 1.00 31.25 H new ATOM 0 HA HIS A 101 2.340 -15.365 -19.846 1.00 21.11 H new ATOM 0 HB2 HIS A 101 1.097 -17.282 -18.736 1.00 31.04 H new ATOM 0 HB3 HIS A 101 0.406 -15.689 -18.500 1.00 31.04 H new ATOM 0 HD2 HIS A 101 -0.349 -18.857 -20.758 1.00 43.32 H new ATOM 0 HE1 HIS A 101 -3.918 -16.623 -20.236 1.00 21.41 H new ATOM 0 HE2 HIS A 101 -2.913 -18.750 -21.213 1.00 74.33 H new ATOM 1290 N VAL A 102 3.370 -17.354 -20.913 1.00 11.54 N ATOM 1291 CA VAL A 102 4.045 -18.423 -21.638 1.00 10.35 C ATOM 1292 C VAL A 102 3.913 -19.753 -20.903 1.00 3.41 C ATOM 1293 O VAL A 102 3.539 -20.765 -21.493 1.00 22.20 O ATOM 1294 CB VAL A 102 5.539 -18.107 -21.842 1.00 72.34 C ATOM 1295 CG1 VAL A 102 6.193 -19.165 -22.718 1.00 73.10 C ATOM 1296 CG2 VAL A 102 5.712 -16.722 -22.445 1.00 41.44 C ATOM 0 H VAL A 102 3.951 -16.883 -20.219 1.00 11.54 H new ATOM 0 HA VAL A 102 3.562 -18.500 -22.612 1.00 10.35 H new ATOM 0 HB VAL A 102 6.032 -18.119 -20.870 1.00 72.34 H new ATOM 0 HG11 VAL A 102 7.248 -18.926 -22.851 1.00 73.10 H new ATOM 0 HG12 VAL A 102 6.100 -20.141 -22.241 1.00 73.10 H new ATOM 0 HG13 VAL A 102 5.700 -19.188 -23.690 1.00 73.10 H new ATOM 0 HG21 VAL A 102 6.773 -16.515 -22.582 1.00 41.44 H new ATOM 0 HG22 VAL A 102 5.206 -16.679 -23.410 1.00 41.44 H new ATOM 0 HG23 VAL A 102 5.281 -15.977 -21.776 1.00 41.44 H new ATOM 1306 N GLY A 103 4.224 -19.742 -19.610 1.00 55.21 N ATOM 1307 CA GLY A 103 4.133 -20.953 -18.815 1.00 11.21 C ATOM 1308 C GLY A 103 5.277 -21.085 -17.829 1.00 34.10 C ATOM 1309 O GLY A 103 5.159 -20.681 -16.673 1.00 71.21 O ATOM 0 H GLY A 103 4.537 -18.916 -19.099 1.00 55.21 H new ATOM 0 HA2 GLY A 103 3.187 -20.958 -18.273 1.00 11.21 H new ATOM 0 HA3 GLY A 103 4.126 -21.819 -19.477 1.00 11.21 H new ATOM 1313 N GLY A 104 6.387 -21.656 -18.287 1.00 3.31 N ATOM 1314 CA GLY A 104 7.540 -21.832 -17.423 1.00 50.21 C ATOM 1315 C GLY A 104 7.748 -23.279 -17.023 1.00 65.44 C ATOM 1316 O GLY A 104 7.004 -24.162 -17.450 1.00 53.14 O ATOM 0 H GLY A 104 6.508 -21.999 -19.240 1.00 3.31 H new ATOM 0 HA2 GLY A 104 8.432 -21.467 -17.933 1.00 50.21 H new ATOM 0 HA3 GLY A 104 7.415 -21.225 -16.527 1.00 50.21 H new ATOM 1320 N CYS A 105 8.765 -23.524 -16.204 1.00 63.33 N ATOM 1321 CA CYS A 105 9.071 -24.876 -15.749 1.00 22.34 C ATOM 1322 C CYS A 105 9.605 -25.728 -16.896 1.00 72.31 C ATOM 1323 O CYS A 105 10.797 -26.028 -16.958 1.00 2.30 O ATOM 1324 CB CYS A 105 7.826 -25.529 -15.148 1.00 11.42 C ATOM 1325 SG CYS A 105 8.173 -26.976 -14.122 1.00 70.43 S ATOM 0 H CYS A 105 9.391 -22.805 -15.842 1.00 63.33 H new ATOM 0 HA CYS A 105 9.842 -24.809 -14.982 1.00 22.34 H new ATOM 0 HB2 CYS A 105 7.295 -24.790 -14.547 1.00 11.42 H new ATOM 0 HB3 CYS A 105 7.157 -25.823 -15.957 1.00 11.42 H new ATOM 0 HG CYS A 105 7.058 -27.456 -13.658 1.00 70.43 H new ATOM 1331 N ASP A 106 8.712 -26.117 -17.801 1.00 3.23 N ATOM 1332 CA ASP A 106 9.092 -26.936 -18.946 1.00 24.35 C ATOM 1333 C ASP A 106 8.290 -26.547 -20.182 1.00 54.04 C ATOM 1334 O ASP A 106 8.359 -27.214 -21.215 1.00 22.32 O ATOM 1335 CB ASP A 106 8.883 -28.418 -18.631 1.00 64.52 C ATOM 1336 CG ASP A 106 7.418 -28.776 -18.477 1.00 52.45 C ATOM 1337 OD1 ASP A 106 6.712 -28.072 -17.726 1.00 34.40 O ATOM 1338 OD2 ASP A 106 6.977 -29.760 -19.109 1.00 24.33 O ATOM 0 H ASP A 106 7.721 -25.878 -17.763 1.00 3.23 H new ATOM 0 HA ASP A 106 10.148 -26.762 -19.152 1.00 24.35 H new ATOM 0 HB2 ASP A 106 9.320 -29.021 -19.427 1.00 64.52 H new ATOM 0 HB3 ASP A 106 9.414 -28.670 -17.713 1.00 64.52 H new ATOM 1343 N ARG A 107 7.527 -25.464 -20.070 1.00 73.22 N ATOM 1344 CA ARG A 107 6.708 -24.987 -21.178 1.00 64.42 C ATOM 1345 C ARG A 107 7.514 -24.070 -22.093 1.00 13.41 C ATOM 1346 O ARG A 107 7.640 -24.324 -23.291 1.00 70.02 O ATOM 1347 CB ARG A 107 5.478 -24.248 -20.651 1.00 30.32 C ATOM 1348 CG ARG A 107 4.837 -23.324 -21.673 1.00 61.34 C ATOM 1349 CD ARG A 107 4.575 -24.044 -22.987 1.00 13.42 C ATOM 1350 NE ARG A 107 3.223 -23.802 -23.483 1.00 51.22 N ATOM 1351 CZ ARG A 107 2.141 -24.390 -22.983 1.00 4.43 C ATOM 1352 NH1 ARG A 107 2.253 -25.248 -21.979 1.00 5.34 N ATOM 1353 NH2 ARG A 107 0.944 -24.118 -23.487 1.00 64.14 N ATOM 0 H ARG A 107 7.459 -24.900 -19.223 1.00 73.22 H new ATOM 0 HA ARG A 107 6.382 -25.852 -21.755 1.00 64.42 H new ATOM 0 HB2 ARG A 107 4.740 -24.979 -20.321 1.00 30.32 H new ATOM 0 HB3 ARG A 107 5.763 -23.665 -19.775 1.00 30.32 H new ATOM 0 HG2 ARG A 107 3.899 -22.936 -21.276 1.00 61.34 H new ATOM 0 HG3 ARG A 107 5.488 -22.467 -21.849 1.00 61.34 H new ATOM 0 HD2 ARG A 107 5.299 -23.714 -23.732 1.00 13.42 H new ATOM 0 HD3 ARG A 107 4.725 -25.115 -22.850 1.00 13.42 H new ATOM 0 HE ARG A 107 3.103 -23.146 -24.255 1.00 51.22 H new ATOM 0 HH11 ARG A 107 3.171 -25.459 -21.588 1.00 5.34 H new ATOM 0 HH12 ARG A 107 1.421 -25.698 -21.597 1.00 5.34 H new ATOM 0 HH21 ARG A 107 0.854 -23.457 -24.259 1.00 64.14 H new ATOM 0 HH22 ARG A 107 0.114 -24.570 -23.103 1.00 64.14 H new ATOM 1367 N THR A 108 8.055 -22.999 -21.520 1.00 44.22 N ATOM 1368 CA THR A 108 8.846 -22.042 -22.284 1.00 12.04 C ATOM 1369 C THR A 108 10.131 -22.679 -22.801 1.00 13.23 C ATOM 1370 O THR A 108 10.718 -22.211 -23.777 1.00 52.33 O ATOM 1371 CB THR A 108 9.205 -20.807 -21.435 1.00 60.11 C ATOM 1372 OG1 THR A 108 8.025 -20.275 -20.822 1.00 25.14 O ATOM 1373 CG2 THR A 108 9.864 -19.735 -22.291 1.00 23.51 C ATOM 0 H THR A 108 7.960 -22.773 -20.530 1.00 44.22 H new ATOM 0 HA THR A 108 8.233 -21.729 -23.129 1.00 12.04 H new ATOM 0 HB THR A 108 9.909 -21.116 -20.662 1.00 60.11 H new ATOM 0 HG1 THR A 108 8.049 -19.296 -20.862 1.00 25.14 H new ATOM 0 HG21 THR A 108 10.108 -18.873 -21.670 1.00 23.51 H new ATOM 0 HG22 THR A 108 10.777 -20.133 -22.734 1.00 23.51 H new ATOM 0 HG23 THR A 108 9.180 -19.430 -23.082 1.00 23.51 H new ATOM 1381 N PHE A 109 10.562 -23.749 -22.142 1.00 1.25 N ATOM 1382 CA PHE A 109 11.778 -24.450 -22.536 1.00 44.35 C ATOM 1383 C PHE A 109 11.492 -25.455 -23.649 1.00 15.33 C ATOM 1384 O PHE A 109 12.183 -25.484 -24.665 1.00 64.35 O ATOM 1385 CB PHE A 109 12.392 -25.167 -21.332 1.00 2.23 C ATOM 1386 CG PHE A 109 13.832 -25.548 -21.531 1.00 33.44 C ATOM 1387 CD1 PHE A 109 14.172 -26.631 -22.325 1.00 4.42 C ATOM 1388 CD2 PHE A 109 14.844 -24.823 -20.922 1.00 22.52 C ATOM 1389 CE1 PHE A 109 15.495 -26.984 -22.510 1.00 64.45 C ATOM 1390 CE2 PHE A 109 16.169 -25.172 -21.104 1.00 72.22 C ATOM 1391 CZ PHE A 109 16.495 -26.254 -21.898 1.00 3.31 C ATOM 0 H PHE A 109 10.087 -24.150 -21.333 1.00 1.25 H new ATOM 0 HA PHE A 109 12.487 -23.712 -22.911 1.00 44.35 H new ATOM 0 HB2 PHE A 109 12.313 -24.523 -20.456 1.00 2.23 H new ATOM 0 HB3 PHE A 109 11.813 -26.066 -21.120 1.00 2.23 H new ATOM 0 HD1 PHE A 109 13.394 -27.206 -22.805 1.00 4.42 H new ATOM 0 HD2 PHE A 109 14.595 -23.977 -20.299 1.00 22.52 H new ATOM 0 HE1 PHE A 109 15.747 -27.830 -23.133 1.00 64.45 H new ATOM 0 HE2 PHE A 109 16.949 -24.599 -20.625 1.00 72.22 H new ATOM 0 HZ PHE A 109 17.530 -26.529 -22.040 1.00 3.31 H new ATOM 1401 N GLN A 110 10.465 -26.276 -23.445 1.00 42.44 N ATOM 1402 CA GLN A 110 10.088 -27.282 -24.430 1.00 75.21 C ATOM 1403 C GLN A 110 9.504 -26.629 -25.679 1.00 73.41 C ATOM 1404 O GLN A 110 9.873 -26.975 -26.801 1.00 2.44 O ATOM 1405 CB GLN A 110 9.073 -28.258 -23.829 1.00 23.03 C ATOM 1406 CG GLN A 110 8.927 -29.548 -24.620 1.00 43.32 C ATOM 1407 CD GLN A 110 10.170 -30.414 -24.558 1.00 1.14 C ATOM 1408 OE1 GLN A 110 10.660 -30.660 -23.348 1.00 53.43 O flip ATOM 1409 NE2 GLN A 110 10.684 -30.859 -25.584 1.00 54.23 N flip ATOM 0 H GLN A 110 9.881 -26.264 -22.609 1.00 42.44 H new ATOM 0 HA GLN A 110 10.986 -27.830 -24.715 1.00 75.21 H new ATOM 0 HB2 GLN A 110 9.373 -28.499 -22.809 1.00 23.03 H new ATOM 0 HB3 GLN A 110 8.102 -27.767 -23.768 1.00 23.03 H new ATOM 0 HG2 GLN A 110 8.077 -30.111 -24.236 1.00 43.32 H new ATOM 0 HG3 GLN A 110 8.707 -29.309 -25.660 1.00 43.32 H new ATOM 0 HE21 GLN A 110 10.275 -30.645 -26.494 1.00 54.23 H new ATOM 0 HE22 GLN A 110 11.519 -31.442 -25.525 1.00 54.23 H new ATOM 1418 N ALA A 111 8.590 -25.685 -25.476 1.00 64.34 N ATOM 1419 CA ALA A 111 7.958 -24.984 -26.585 1.00 42.35 C ATOM 1420 C ALA A 111 9.000 -24.442 -27.559 1.00 33.51 C ATOM 1421 O ALA A 111 8.734 -24.302 -28.753 1.00 64.43 O ATOM 1422 CB ALA A 111 7.083 -23.854 -26.065 1.00 55.33 C ATOM 0 H ALA A 111 8.272 -25.389 -24.553 1.00 64.34 H new ATOM 0 HA ALA A 111 7.332 -25.697 -27.122 1.00 42.35 H new ATOM 0 HB1 ALA A 111 6.617 -23.339 -26.905 1.00 55.33 H new ATOM 0 HB2 ALA A 111 6.309 -24.263 -25.415 1.00 55.33 H new ATOM 0 HB3 ALA A 111 7.695 -23.150 -25.502 1.00 55.33 H new ATOM 1428 N HIS A 112 10.186 -24.140 -27.041 1.00 51.42 N ATOM 1429 CA HIS A 112 11.268 -23.613 -27.865 1.00 72.33 C ATOM 1430 C HIS A 112 11.762 -24.667 -28.851 1.00 63.53 C ATOM 1431 O HIS A 112 11.987 -24.374 -30.024 1.00 60.35 O ATOM 1432 CB HIS A 112 12.425 -23.141 -26.984 1.00 11.11 C ATOM 1433 CG HIS A 112 13.678 -22.845 -27.748 1.00 23.01 C ATOM 1434 ND1 HIS A 112 13.676 -22.372 -29.044 1.00 0.44 N ATOM 1435 CD2 HIS A 112 14.980 -22.956 -27.392 1.00 53.14 C ATOM 1436 CE1 HIS A 112 14.922 -22.206 -29.452 1.00 75.33 C ATOM 1437 NE2 HIS A 112 15.732 -22.554 -28.468 1.00 53.24 N ATOM 0 H HIS A 112 10.422 -24.251 -26.055 1.00 51.42 H new ATOM 0 HA HIS A 112 10.881 -22.765 -28.430 1.00 72.33 H new ATOM 0 HB2 HIS A 112 12.118 -22.245 -26.445 1.00 11.11 H new ATOM 0 HB3 HIS A 112 12.637 -23.906 -26.237 1.00 11.11 H new ATOM 0 HD1 HIS A 112 12.843 -22.180 -29.600 1.00 0.44 H new ATOM 0 HD2 HIS A 112 15.357 -23.297 -26.439 1.00 53.14 H new ATOM 0 HE1 HIS A 112 15.226 -21.847 -30.424 1.00 75.33 H new ATOM 1445 N GLN A 113 11.929 -25.894 -28.365 1.00 13.40 N ATOM 1446 CA GLN A 113 12.398 -26.990 -29.204 1.00 12.25 C ATOM 1447 C GLN A 113 11.238 -27.633 -29.957 1.00 25.40 C ATOM 1448 O GLN A 113 11.437 -28.292 -30.977 1.00 4.01 O ATOM 1449 CB GLN A 113 13.115 -28.039 -28.353 1.00 61.14 C ATOM 1450 CG GLN A 113 14.399 -27.532 -27.715 1.00 54.21 C ATOM 1451 CD GLN A 113 15.028 -28.548 -26.783 1.00 31.14 C ATOM 1452 OE1 GLN A 113 15.923 -29.297 -27.175 1.00 3.21 O ATOM 1453 NE2 GLN A 113 14.561 -28.580 -25.539 1.00 44.25 N ATOM 0 H GLN A 113 11.746 -26.153 -27.395 1.00 13.40 H new ATOM 0 HA GLN A 113 13.099 -26.584 -29.933 1.00 12.25 H new ATOM 0 HB2 GLN A 113 12.440 -28.381 -27.569 1.00 61.14 H new ATOM 0 HB3 GLN A 113 13.345 -28.904 -28.975 1.00 61.14 H new ATOM 0 HG2 GLN A 113 15.112 -27.273 -28.498 1.00 54.21 H new ATOM 0 HG3 GLN A 113 14.188 -26.618 -27.161 1.00 54.21 H new ATOM 0 HE21 GLN A 113 13.818 -27.941 -25.257 1.00 44.25 H new ATOM 0 HE22 GLN A 113 14.946 -29.244 -24.867 1.00 44.25 H new ATOM 1462 N ASN A 114 10.027 -27.439 -29.445 1.00 75.44 N ATOM 1463 CA ASN A 114 8.834 -28.002 -30.070 1.00 4.24 C ATOM 1464 C ASN A 114 8.257 -27.041 -31.104 1.00 2.03 C ATOM 1465 O ASN A 114 7.447 -27.431 -31.944 1.00 70.41 O ATOM 1466 CB ASN A 114 7.780 -28.320 -29.007 1.00 72.42 C ATOM 1467 CG ASN A 114 7.917 -29.728 -28.460 1.00 2.30 C ATOM 1468 OD1 ASN A 114 9.122 -30.078 -28.023 1.00 42.45 O flip ATOM 1469 ND2 ASN A 114 6.952 -30.491 -28.429 1.00 42.03 N flip ATOM 0 H ASN A 114 9.845 -26.897 -28.600 1.00 75.44 H new ATOM 0 HA ASN A 114 9.119 -28.924 -30.577 1.00 4.24 H new ATOM 0 HB2 ASN A 114 7.866 -27.605 -28.189 1.00 72.42 H new ATOM 0 HB3 ASN A 114 6.786 -28.195 -29.436 1.00 72.42 H new ATOM 0 HD21 ASN A 114 6.044 -30.180 -28.775 1.00 42.03 H new ATOM 0 HD22 ASN A 114 7.060 -31.435 -28.057 1.00 42.03 H new ATOM 1476 N GLY A 115 8.680 -25.783 -31.036 1.00 52.45 N ATOM 1477 CA GLY A 115 8.195 -24.786 -31.972 1.00 54.54 C ATOM 1478 C GLY A 115 6.936 -24.096 -31.484 1.00 44.44 C ATOM 1479 O GLY A 115 6.392 -23.226 -32.166 1.00 13.21 O ATOM 0 H GLY A 115 9.350 -25.436 -30.349 1.00 52.45 H new ATOM 0 HA2 GLY A 115 8.973 -24.041 -32.139 1.00 54.54 H new ATOM 0 HA3 GLY A 115 7.996 -25.261 -32.933 1.00 54.54 H new ATOM 1483 N LEU A 116 6.472 -24.483 -30.302 1.00 4.22 N ATOM 1484 CA LEU A 116 5.268 -23.896 -29.722 1.00 71.43 C ATOM 1485 C LEU A 116 5.563 -22.522 -29.130 1.00 44.34 C ATOM 1486 O LEU A 116 4.649 -21.742 -28.859 1.00 30.21 O ATOM 1487 CB LEU A 116 4.697 -24.817 -28.643 1.00 73.22 C ATOM 1488 CG LEU A 116 3.334 -24.420 -28.075 1.00 33.20 C ATOM 1489 CD1 LEU A 116 2.531 -25.657 -27.700 1.00 54.30 C ATOM 1490 CD2 LEU A 116 3.503 -23.506 -26.870 1.00 65.33 C ATOM 0 H LEU A 116 6.911 -25.201 -29.725 1.00 4.22 H new ATOM 0 HA LEU A 116 4.532 -23.778 -30.517 1.00 71.43 H new ATOM 0 HB2 LEU A 116 4.617 -25.822 -29.057 1.00 73.22 H new ATOM 0 HB3 LEU A 116 5.411 -24.866 -27.821 1.00 73.22 H new ATOM 0 HG LEU A 116 2.786 -23.876 -28.844 1.00 33.20 H new ATOM 0 HD11 LEU A 116 1.564 -25.355 -27.298 1.00 54.30 H new ATOM 0 HD12 LEU A 116 2.379 -26.274 -28.585 1.00 54.30 H new ATOM 0 HD13 LEU A 116 3.074 -26.229 -26.948 1.00 54.30 H new ATOM 0 HD21 LEU A 116 2.522 -23.234 -26.479 1.00 65.33 H new ATOM 0 HD22 LEU A 116 4.071 -24.024 -26.097 1.00 65.33 H new ATOM 0 HD23 LEU A 116 4.037 -22.604 -27.169 1.00 65.33 H new ATOM 1502 N LEU A 117 6.845 -22.231 -28.933 1.00 55.23 N ATOM 1503 CA LEU A 117 7.260 -20.949 -28.375 1.00 12.31 C ATOM 1504 C LEU A 117 7.435 -19.906 -29.475 1.00 33.31 C ATOM 1505 O LEU A 117 6.945 -18.784 -29.362 1.00 2.30 O ATOM 1506 CB LEU A 117 8.567 -21.110 -27.597 1.00 52.55 C ATOM 1507 CG LEU A 117 8.807 -20.102 -26.473 1.00 12.33 C ATOM 1508 CD1 LEU A 117 7.740 -20.238 -25.398 1.00 12.33 C ATOM 1509 CD2 LEU A 117 10.195 -20.289 -25.876 1.00 11.43 C ATOM 0 H LEU A 117 7.614 -22.865 -29.151 1.00 55.23 H new ATOM 0 HA LEU A 117 6.479 -20.606 -27.696 1.00 12.31 H new ATOM 0 HB2 LEU A 117 8.591 -22.113 -27.170 1.00 52.55 H new ATOM 0 HB3 LEU A 117 9.396 -21.043 -28.301 1.00 52.55 H new ATOM 0 HG LEU A 117 8.746 -19.098 -26.892 1.00 12.33 H new ATOM 0 HD11 LEU A 117 7.927 -19.513 -24.606 1.00 12.33 H new ATOM 0 HD12 LEU A 117 6.758 -20.054 -25.834 1.00 12.33 H new ATOM 0 HD13 LEU A 117 7.769 -21.245 -24.982 1.00 12.33 H new ATOM 0 HD21 LEU A 117 10.348 -19.563 -25.077 1.00 11.43 H new ATOM 0 HD22 LEU A 117 10.284 -21.297 -25.472 1.00 11.43 H new ATOM 0 HD23 LEU A 117 10.947 -20.141 -26.651 1.00 11.43 H new ATOM 1521 N GLN A 118 8.134 -20.288 -30.539 1.00 74.32 N ATOM 1522 CA GLN A 118 8.371 -19.387 -31.660 1.00 62.02 C ATOM 1523 C GLN A 118 7.055 -18.859 -32.222 1.00 1.53 C ATOM 1524 O GLN A 118 6.977 -17.719 -32.682 1.00 72.23 O ATOM 1525 CB GLN A 118 9.158 -20.103 -32.760 1.00 54.43 C ATOM 1526 CG GLN A 118 8.309 -21.039 -33.605 1.00 14.20 C ATOM 1527 CD GLN A 118 7.675 -20.340 -34.792 1.00 15.31 C ATOM 1528 OE1 GLN A 118 6.459 -20.392 -34.980 1.00 55.45 O ATOM 1529 NE2 GLN A 118 8.496 -19.680 -35.600 1.00 24.34 N ATOM 0 H GLN A 118 8.546 -21.215 -30.648 1.00 74.32 H new ATOM 0 HA GLN A 118 8.955 -18.542 -31.296 1.00 62.02 H new ATOM 0 HB2 GLN A 118 9.619 -19.358 -33.409 1.00 54.43 H new ATOM 0 HB3 GLN A 118 9.968 -20.673 -32.304 1.00 54.43 H new ATOM 0 HG2 GLN A 118 8.928 -21.863 -33.961 1.00 14.20 H new ATOM 0 HG3 GLN A 118 7.526 -21.474 -32.984 1.00 14.20 H new ATOM 0 HE21 GLN A 118 9.497 -19.663 -35.407 1.00 24.34 H new ATOM 0 HE22 GLN A 118 8.125 -19.190 -36.414 1.00 24.34 H new ATOM 1538 N LYS A 119 6.023 -19.693 -32.182 1.00 74.11 N ATOM 1539 CA LYS A 119 4.708 -19.311 -32.686 1.00 24.54 C ATOM 1540 C LYS A 119 3.977 -18.428 -31.680 1.00 73.22 C ATOM 1541 O LYS A 119 3.064 -17.683 -32.042 1.00 62.41 O ATOM 1542 CB LYS A 119 3.874 -20.557 -32.989 1.00 54.00 C ATOM 1543 CG LYS A 119 3.721 -21.491 -31.801 1.00 21.25 C ATOM 1544 CD LYS A 119 2.853 -22.690 -32.142 1.00 32.34 C ATOM 1545 CE LYS A 119 3.547 -23.618 -33.128 1.00 55.52 C ATOM 1546 NZ LYS A 119 2.685 -23.918 -34.306 1.00 64.41 N ATOM 0 H LYS A 119 6.071 -20.640 -31.805 1.00 74.11 H new ATOM 0 HA LYS A 119 4.849 -18.744 -33.606 1.00 24.54 H new ATOM 0 HB2 LYS A 119 2.885 -20.248 -33.327 1.00 54.00 H new ATOM 0 HB3 LYS A 119 4.337 -21.102 -33.812 1.00 54.00 H new ATOM 0 HG2 LYS A 119 4.704 -21.833 -31.477 1.00 21.25 H new ATOM 0 HG3 LYS A 119 3.281 -20.948 -30.965 1.00 21.25 H new ATOM 0 HD2 LYS A 119 2.614 -23.238 -31.231 1.00 32.34 H new ATOM 0 HD3 LYS A 119 1.908 -22.348 -32.565 1.00 32.34 H new ATOM 0 HE2 LYS A 119 4.477 -23.160 -33.465 1.00 55.52 H new ATOM 0 HE3 LYS A 119 3.813 -24.548 -32.626 1.00 55.52 H new ATOM 0 HZ1 LYS A 119 3.192 -24.553 -34.955 1.00 64.41 H new ATOM 0 HZ2 LYS A 119 1.808 -24.378 -33.987 1.00 64.41 H new ATOM 0 HZ3 LYS A 119 2.452 -23.033 -34.800 1.00 64.41 H new ATOM 1560 N LEU A 120 4.382 -18.513 -30.419 1.00 23.12 N ATOM 1561 CA LEU A 120 3.766 -17.720 -29.361 1.00 65.51 C ATOM 1562 C LEU A 120 4.279 -16.284 -29.389 1.00 1.05 C ATOM 1563 O LEU A 120 3.502 -15.334 -29.285 1.00 14.21 O ATOM 1564 CB LEU A 120 4.048 -18.348 -27.995 1.00 61.24 C ATOM 1565 CG LEU A 120 3.487 -17.603 -26.784 1.00 52.14 C ATOM 1566 CD1 LEU A 120 4.443 -16.506 -26.342 1.00 1.15 C ATOM 1567 CD2 LEU A 120 2.118 -17.021 -27.105 1.00 34.21 C ATOM 0 H LEU A 120 5.135 -19.124 -30.103 1.00 23.12 H new ATOM 0 HA LEU A 120 2.690 -17.706 -29.531 1.00 65.51 H new ATOM 0 HB2 LEU A 120 3.644 -19.360 -27.993 1.00 61.24 H new ATOM 0 HB3 LEU A 120 5.128 -18.436 -27.874 1.00 61.24 H new ATOM 0 HG LEU A 120 3.376 -18.312 -25.964 1.00 52.14 H new ATOM 0 HD11 LEU A 120 4.027 -15.987 -25.479 1.00 1.15 H new ATOM 0 HD12 LEU A 120 5.403 -16.947 -26.072 1.00 1.15 H new ATOM 0 HD13 LEU A 120 4.586 -15.797 -27.158 1.00 1.15 H new ATOM 0 HD21 LEU A 120 1.733 -16.494 -26.232 1.00 34.21 H new ATOM 0 HD22 LEU A 120 2.205 -16.325 -27.940 1.00 34.21 H new ATOM 0 HD23 LEU A 120 1.434 -17.826 -27.373 1.00 34.21 H new ATOM 1579 N LEU A 121 5.591 -16.133 -29.531 1.00 41.42 N ATOM 1580 CA LEU A 121 6.207 -14.811 -29.574 1.00 65.21 C ATOM 1581 C LEU A 121 5.765 -14.044 -30.817 1.00 42.20 C ATOM 1582 O LEU A 121 5.925 -12.827 -30.894 1.00 55.31 O ATOM 1583 CB LEU A 121 7.732 -14.937 -29.555 1.00 71.33 C ATOM 1584 CG LEU A 121 8.324 -15.748 -28.401 1.00 42.04 C ATOM 1585 CD1 LEU A 121 9.842 -15.662 -28.413 1.00 60.04 C ATOM 1586 CD2 LEU A 121 7.770 -15.263 -27.070 1.00 42.53 C ATOM 0 H LEU A 121 6.248 -16.908 -29.618 1.00 41.42 H new ATOM 0 HA LEU A 121 5.882 -14.257 -28.693 1.00 65.21 H new ATOM 0 HB2 LEU A 121 8.051 -15.391 -30.493 1.00 71.33 H new ATOM 0 HB3 LEU A 121 8.159 -13.935 -29.525 1.00 71.33 H new ATOM 0 HG LEU A 121 8.039 -16.792 -28.531 1.00 42.04 H new ATOM 0 HD11 LEU A 121 10.246 -16.245 -27.585 1.00 60.04 H new ATOM 0 HD12 LEU A 121 10.221 -16.058 -29.355 1.00 60.04 H new ATOM 0 HD13 LEU A 121 10.148 -14.621 -28.308 1.00 60.04 H new ATOM 0 HD21 LEU A 121 8.202 -15.851 -26.260 1.00 42.53 H new ATOM 0 HD22 LEU A 121 8.024 -14.212 -26.931 1.00 42.53 H new ATOM 0 HD23 LEU A 121 6.686 -15.378 -27.064 1.00 42.53 H new ATOM 1598 N GLN A 122 5.208 -14.766 -31.784 1.00 12.43 N ATOM 1599 CA GLN A 122 4.741 -14.152 -33.022 1.00 20.31 C ATOM 1600 C GLN A 122 3.633 -13.142 -32.744 1.00 4.31 C ATOM 1601 O GLN A 122 3.415 -12.215 -33.525 1.00 61.00 O ATOM 1602 CB GLN A 122 4.239 -15.225 -33.989 1.00 55.23 C ATOM 1603 CG GLN A 122 5.352 -16.046 -34.618 1.00 70.24 C ATOM 1604 CD GLN A 122 5.706 -15.576 -36.015 1.00 62.41 C ATOM 1605 OE1 GLN A 122 4.826 -15.313 -36.837 1.00 23.45 O ATOM 1606 NE2 GLN A 122 7.000 -15.468 -36.294 1.00 72.43 N ATOM 0 H GLN A 122 5.069 -15.775 -31.735 1.00 12.43 H new ATOM 0 HA GLN A 122 5.580 -13.626 -33.477 1.00 20.31 H new ATOM 0 HB2 GLN A 122 3.562 -15.893 -33.457 1.00 55.23 H new ATOM 0 HB3 GLN A 122 3.660 -14.748 -34.779 1.00 55.23 H new ATOM 0 HG2 GLN A 122 6.238 -15.994 -33.986 1.00 70.24 H new ATOM 0 HG3 GLN A 122 5.049 -17.092 -34.657 1.00 70.24 H new ATOM 0 HE21 GLN A 122 7.696 -15.696 -35.584 1.00 72.43 H new ATOM 0 HE22 GLN A 122 7.298 -15.157 -37.219 1.00 72.43 H new ATOM 1615 N ASP A 123 2.937 -13.326 -31.627 1.00 43.31 N ATOM 1616 CA ASP A 123 1.852 -12.430 -31.246 1.00 4.14 C ATOM 1617 C ASP A 123 1.218 -12.872 -29.931 1.00 65.32 C ATOM 1618 O ASP A 123 1.131 -12.096 -28.980 1.00 3.12 O ATOM 1619 CB ASP A 123 0.792 -12.381 -32.347 1.00 21.22 C ATOM 1620 CG ASP A 123 0.477 -10.964 -32.785 1.00 1.41 C ATOM 1621 OD1 ASP A 123 0.236 -10.111 -31.906 1.00 31.40 O ATOM 1622 OD2 ASP A 123 0.471 -10.708 -34.007 1.00 74.24 O ATOM 0 H ASP A 123 3.105 -14.088 -30.970 1.00 43.31 H new ATOM 0 HA ASP A 123 2.269 -11.432 -31.110 1.00 4.14 H new ATOM 0 HB2 ASP A 123 1.138 -12.955 -33.206 1.00 21.22 H new ATOM 0 HB3 ASP A 123 -0.120 -12.859 -31.991 1.00 21.22 H new ATOM 1627 N ASP A 124 0.775 -14.125 -29.886 1.00 44.53 N ATOM 1628 CA ASP A 124 0.149 -14.671 -28.688 1.00 4.40 C ATOM 1629 C ASP A 124 -0.246 -16.130 -28.898 1.00 51.34 C ATOM 1630 O ASP A 124 -0.989 -16.454 -29.826 1.00 44.22 O ATOM 1631 CB ASP A 124 -1.081 -13.846 -28.308 1.00 73.04 C ATOM 1632 CG ASP A 124 -1.897 -13.432 -29.517 1.00 1.22 C ATOM 1633 OD1 ASP A 124 -1.574 -12.387 -30.121 1.00 72.21 O ATOM 1634 OD2 ASP A 124 -2.856 -14.153 -29.860 1.00 0.31 O ATOM 0 H ASP A 124 0.838 -14.780 -30.665 1.00 44.53 H new ATOM 0 HA ASP A 124 0.874 -14.623 -27.875 1.00 4.40 H new ATOM 0 HB2 ASP A 124 -1.709 -14.426 -27.631 1.00 73.04 H new ATOM 0 HB3 ASP A 124 -0.764 -12.956 -27.765 1.00 73.04 H new TER 1639 ASP A 124