USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 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 14 LYS NZ :NH3+ -164:sc= 1.16 (180deg=0.93) USER MOD Set 1.2: A 82 THR OG1 : rot -91:sc= 1.18 USER MOD Set 2.1: A 54 HIS : no HD1:sc= -4.95! K(o=-3.7!,f=-0.11) USER MOD Set 2.2: A 92 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.06) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.155 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -160:sc= -0.0593 (180deg=-0.407) USER MOD Single : A 15 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.3) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.19) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.929 USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.05 (180deg=-0.3) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 49 SER OG : rot 88:sc= 0.338 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.1) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 72 HIS : no HD1:sc= -0.472 K(o=-0.47,f=-1.5) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.14) USER MOD Single : A 78 THR OG1 : rot 65:sc= 1.23 USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 84 GLN : amide:sc=-0.000859 X(o=-0.00086,f=0) USER MOD Single : A 87 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.2!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 33B O62 : rot 180:sc= 0 USER MOD Single : A 101 33B O72 : rot 50:sc= -0.419 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.312 -3.558 -14.330 1.00 43.24 N ATOM 2 CA GLY A 1 -14.465 -3.255 -13.179 1.00 43.24 C ATOM 3 C GLY A 1 -13.208 -4.048 -13.276 1.00 74.31 C ATOM 4 O GLY A 1 -13.117 -5.030 -14.038 1.00 53.44 O ATOM 0 H1 GLY A 1 -15.309 -2.751 -14.986 1.00 43.24 H new ATOM 0 H2 GLY A 1 -14.947 -4.401 -14.817 1.00 43.24 H new ATOM 0 H3 GLY A 1 -16.284 -3.738 -14.008 1.00 43.24 H new ATOM 0 HA2 GLY A 1 -14.236 -2.190 -13.151 1.00 43.24 H new ATOM 0 HA3 GLY A 1 -14.989 -3.493 -12.253 1.00 43.24 H new ATOM 10 N PRO A 2 -12.204 -3.629 -12.494 1.00 33.14 N ATOM 11 CA PRO A 2 -10.920 -4.310 -12.421 1.00 73.14 C ATOM 12 C PRO A 2 -11.132 -5.648 -11.758 1.00 2.25 C ATOM 13 O PRO A 2 -12.147 -5.826 -11.070 1.00 32.32 O ATOM 14 CB PRO A 2 -10.050 -3.384 -11.547 1.00 25.12 C ATOM 15 CG PRO A 2 -11.064 -2.594 -10.692 1.00 23.35 C ATOM 16 CD PRO A 2 -12.277 -2.456 -11.614 1.00 5.12 C ATOM 0 HA PRO A 2 -10.455 -4.494 -13.390 1.00 73.14 H new ATOM 0 HB2 PRO A 2 -9.365 -3.957 -10.922 1.00 25.12 H new ATOM 0 HB3 PRO A 2 -9.442 -2.717 -12.158 1.00 25.12 H new ATOM 0 HG2 PRO A 2 -11.316 -3.126 -9.774 1.00 23.35 H new ATOM 0 HG3 PRO A 2 -10.670 -1.621 -10.399 1.00 23.35 H new ATOM 0 HD2 PRO A 2 -13.208 -2.443 -11.047 1.00 5.12 H new ATOM 0 HD3 PRO A 2 -12.238 -1.528 -12.185 1.00 5.12 H new ATOM 24 N LYS A 3 -10.219 -6.596 -11.980 1.00 22.23 N ATOM 25 CA LYS A 3 -10.362 -7.927 -11.435 1.00 53.10 C ATOM 26 C LYS A 3 -9.184 -8.138 -10.513 1.00 14.31 C ATOM 27 O LYS A 3 -8.191 -7.409 -10.585 1.00 40.33 O ATOM 28 CB LYS A 3 -10.342 -9.018 -12.530 1.00 23.34 C ATOM 29 CG LYS A 3 -9.219 -8.850 -13.549 1.00 23.13 C ATOM 30 CD LYS A 3 -9.189 -9.989 -14.556 1.00 55.32 C ATOM 31 CE LYS A 3 -8.311 -9.694 -15.781 1.00 33.42 C ATOM 32 NZ LYS A 3 -8.875 -8.565 -16.557 1.00 1.02 N ATOM 0 H LYS A 3 -9.375 -6.456 -12.536 1.00 22.23 H new ATOM 0 HA LYS A 3 -11.321 -8.008 -10.924 1.00 53.10 H new ATOM 0 HB2 LYS A 3 -10.245 -9.994 -12.055 1.00 23.34 H new ATOM 0 HB3 LYS A 3 -11.298 -9.012 -13.053 1.00 23.34 H new ATOM 0 HG2 LYS A 3 -9.345 -7.904 -14.075 1.00 23.13 H new ATOM 0 HG3 LYS A 3 -8.262 -8.800 -13.029 1.00 23.13 H new ATOM 0 HD2 LYS A 3 -8.823 -10.890 -14.064 1.00 55.32 H new ATOM 0 HD3 LYS A 3 -10.206 -10.198 -14.888 1.00 55.32 H new ATOM 0 HE2 LYS A 3 -7.297 -9.454 -15.461 1.00 33.42 H new ATOM 0 HE3 LYS A 3 -8.245 -10.581 -16.412 1.00 33.42 H new ATOM 0 HZ1 LYS A 3 -8.498 -8.587 -17.526 1.00 1.02 H new ATOM 0 HZ2 LYS A 3 -9.911 -8.648 -16.587 1.00 1.02 H new ATOM 0 HZ3 LYS A 3 -8.613 -7.667 -16.103 1.00 1.02 H new ATOM 46 N PRO A 4 -9.302 -9.134 -9.601 1.00 11.31 N ATOM 47 CA PRO A 4 -8.284 -9.414 -8.593 1.00 55.32 C ATOM 48 C PRO A 4 -6.995 -9.799 -9.277 1.00 33.24 C ATOM 49 O PRO A 4 -7.036 -10.638 -10.176 1.00 52.31 O ATOM 50 CB PRO A 4 -8.862 -10.596 -7.775 1.00 34.41 C ATOM 51 CG PRO A 4 -10.382 -10.531 -8.031 1.00 41.50 C ATOM 52 CD PRO A 4 -10.459 -10.028 -9.473 1.00 53.32 C ATOM 0 HA PRO A 4 -8.060 -8.559 -7.956 1.00 55.32 H new ATOM 0 HB2 PRO A 4 -8.444 -11.548 -8.102 1.00 34.41 H new ATOM 0 HB3 PRO A 4 -8.633 -10.495 -6.714 1.00 34.41 H new ATOM 0 HG2 PRO A 4 -10.854 -11.507 -7.917 1.00 41.50 H new ATOM 0 HG3 PRO A 4 -10.881 -9.853 -7.338 1.00 41.50 H new ATOM 0 HD2 PRO A 4 -10.408 -10.851 -10.186 1.00 53.32 H new ATOM 0 HD3 PRO A 4 -11.394 -9.500 -9.662 1.00 53.32 H new ATOM 60 N GLY A 5 -5.856 -9.224 -8.874 1.00 3.31 N ATOM 61 CA GLY A 5 -4.593 -9.624 -9.450 1.00 64.51 C ATOM 62 C GLY A 5 -4.101 -8.526 -10.336 1.00 2.24 C ATOM 63 O GLY A 5 -2.936 -8.516 -10.712 1.00 42.10 O ATOM 0 H GLY A 5 -5.795 -8.495 -8.164 1.00 3.31 H new ATOM 0 HA2 GLY A 5 -3.867 -9.829 -8.663 1.00 64.51 H new ATOM 0 HA3 GLY A 5 -4.713 -10.545 -10.021 1.00 64.51 H new ATOM 67 N ASP A 6 -4.983 -7.564 -10.716 1.00 54.15 N ATOM 68 CA ASP A 6 -4.573 -6.506 -11.644 1.00 21.31 C ATOM 69 C ASP A 6 -3.698 -5.543 -10.897 1.00 63.44 C ATOM 70 O ASP A 6 -4.004 -5.156 -9.768 1.00 30.52 O ATOM 71 CB ASP A 6 -5.764 -5.717 -12.255 1.00 31.51 C ATOM 72 CG ASP A 6 -5.266 -4.750 -13.321 1.00 74.24 C ATOM 73 OD1 ASP A 6 -4.463 -5.171 -14.186 1.00 44.10 O ATOM 74 OD2 ASP A 6 -5.717 -3.585 -13.333 1.00 44.23 O ATOM 0 H ASP A 6 -5.951 -7.508 -10.399 1.00 54.15 H new ATOM 0 HA ASP A 6 -4.053 -6.987 -12.473 1.00 21.31 H new ATOM 0 HB2 ASP A 6 -6.483 -6.411 -12.691 1.00 31.51 H new ATOM 0 HB3 ASP A 6 -6.286 -5.168 -11.471 1.00 31.51 H new ATOM 79 N ILE A 7 -2.569 -5.180 -11.513 1.00 10.25 N ATOM 80 CA ILE A 7 -1.627 -4.314 -10.947 1.00 14.02 C ATOM 81 C ILE A 7 -1.859 -2.958 -11.525 1.00 0.43 C ATOM 82 O ILE A 7 -1.906 -2.801 -12.741 1.00 71.35 O ATOM 83 CB ILE A 7 -0.264 -4.762 -11.339 1.00 10.31 C ATOM 84 CG1 ILE A 7 -0.177 -6.277 -11.038 1.00 42.15 C ATOM 85 CG2 ILE A 7 0.784 -3.862 -10.637 1.00 10.33 C ATOM 86 CD1 ILE A 7 1.205 -6.785 -10.966 1.00 41.41 C ATOM 0 H ILE A 7 -2.312 -5.510 -12.444 1.00 10.25 H new ATOM 0 HA ILE A 7 -1.717 -4.302 -9.861 1.00 14.02 H new ATOM 0 HB ILE A 7 -0.050 -4.649 -12.402 1.00 10.31 H new ATOM 0 HG12 ILE A 7 -0.680 -6.481 -10.093 1.00 42.15 H new ATOM 0 HG13 ILE A 7 -0.717 -6.824 -11.811 1.00 42.15 H new ATOM 0 HG21 ILE A 7 1.787 -4.183 -10.919 1.00 10.33 H new ATOM 0 HG22 ILE A 7 0.636 -2.826 -10.941 1.00 10.33 H new ATOM 0 HG23 ILE A 7 0.667 -3.943 -9.556 1.00 10.33 H new ATOM 0 HD11 ILE A 7 1.189 -7.854 -10.752 1.00 41.41 H new ATOM 0 HD12 ILE A 7 1.706 -6.613 -11.919 1.00 41.41 H new ATOM 0 HD13 ILE A 7 1.743 -6.264 -10.174 1.00 41.41 H new ATOM 98 N PHE A 8 -1.995 -1.951 -10.664 1.00 54.52 N ATOM 99 CA PHE A 8 -2.190 -0.602 -11.126 1.00 2.35 C ATOM 100 C PHE A 8 -1.353 0.269 -10.269 1.00 2.45 C ATOM 101 O PHE A 8 -0.965 -0.118 -9.163 1.00 24.11 O ATOM 102 CB PHE A 8 -3.685 -0.071 -11.123 1.00 4.55 C ATOM 103 CG PHE A 8 -4.349 -0.183 -9.749 1.00 54.41 C ATOM 104 CD1 PHE A 8 -4.529 -1.441 -9.118 1.00 4.02 C ATOM 105 CD2 PHE A 8 -4.857 0.977 -9.093 1.00 45.34 C ATOM 106 CE1 PHE A 8 -5.172 -1.530 -7.880 1.00 72.21 C ATOM 107 CE2 PHE A 8 -5.538 0.865 -7.860 1.00 43.13 C ATOM 108 CZ PHE A 8 -5.689 -0.388 -7.256 1.00 25.33 C ATOM 0 H PHE A 8 -1.972 -2.055 -9.650 1.00 54.52 H new ATOM 0 HA PHE A 8 -1.908 -0.585 -12.179 1.00 2.35 H new ATOM 0 HB2 PHE A 8 -3.697 0.971 -11.444 1.00 4.55 H new ATOM 0 HB3 PHE A 8 -4.268 -0.635 -11.851 1.00 4.55 H new ATOM 0 HD1 PHE A 8 -4.166 -2.338 -9.598 1.00 4.02 H new ATOM 0 HD2 PHE A 8 -4.720 1.949 -9.543 1.00 45.34 H new ATOM 0 HE1 PHE A 8 -5.271 -2.492 -7.399 1.00 72.21 H new ATOM 0 HE2 PHE A 8 -5.942 1.746 -7.384 1.00 43.13 H new ATOM 0 HZ PHE A 8 -6.203 -0.474 -6.310 1.00 25.33 H new ATOM 118 N GLU A 9 -1.054 1.476 -10.777 1.00 73.02 N ATOM 119 CA GLU A 9 -0.386 2.462 -9.981 1.00 74.43 C ATOM 120 C GLU A 9 -1.429 3.422 -9.604 1.00 1.21 C ATOM 121 O GLU A 9 -2.406 3.638 -10.354 1.00 73.23 O ATOM 122 CB GLU A 9 0.691 3.304 -10.711 1.00 2.12 C ATOM 123 CG GLU A 9 1.886 2.520 -11.236 1.00 51.44 C ATOM 124 CD GLU A 9 2.933 3.540 -11.628 1.00 53.24 C ATOM 125 OE1 GLU A 9 3.420 4.277 -10.729 1.00 3.44 O ATOM 126 OE2 GLU A 9 3.249 3.646 -12.827 1.00 32.13 O ATOM 0 H GLU A 9 -1.271 1.770 -11.729 1.00 73.02 H new ATOM 0 HA GLU A 9 0.119 1.929 -9.175 1.00 74.43 H new ATOM 0 HB2 GLU A 9 0.220 3.819 -11.548 1.00 2.12 H new ATOM 0 HB3 GLU A 9 1.053 4.072 -10.027 1.00 2.12 H new ATOM 0 HG2 GLU A 9 2.271 1.843 -10.473 1.00 51.44 H new ATOM 0 HG3 GLU A 9 1.602 1.908 -12.092 1.00 51.44 H new ATOM 133 N VAL A 10 -1.233 4.057 -8.476 1.00 51.44 N ATOM 134 CA VAL A 10 -2.014 5.169 -8.125 1.00 10.11 C ATOM 135 C VAL A 10 -1.032 6.187 -7.702 1.00 2.55 C ATOM 136 O VAL A 10 -0.006 5.860 -7.079 1.00 71.43 O ATOM 137 CB VAL A 10 -2.990 4.907 -6.986 1.00 54.24 C ATOM 138 CG1 VAL A 10 -4.107 4.013 -7.533 1.00 25.41 C ATOM 139 CG2 VAL A 10 -2.243 4.261 -5.795 1.00 21.02 C ATOM 0 H VAL A 10 -0.523 3.802 -7.790 1.00 51.44 H new ATOM 0 HA VAL A 10 -2.638 5.464 -8.968 1.00 10.11 H new ATOM 0 HB VAL A 10 -3.430 5.832 -6.612 1.00 54.24 H new ATOM 0 HG11 VAL A 10 -4.827 3.804 -6.741 1.00 25.41 H new ATOM 0 HG12 VAL A 10 -4.610 4.521 -8.356 1.00 25.41 H new ATOM 0 HG13 VAL A 10 -3.681 3.076 -7.892 1.00 25.41 H new ATOM 0 HG21 VAL A 10 -2.945 4.075 -4.982 1.00 21.02 H new ATOM 0 HG22 VAL A 10 -1.798 3.318 -6.113 1.00 21.02 H new ATOM 0 HG23 VAL A 10 -1.458 4.934 -5.450 1.00 21.02 H new ATOM 149 N GLU A 11 -1.305 7.441 -8.035 1.00 4.42 N ATOM 150 CA GLU A 11 -0.571 8.505 -7.459 1.00 12.23 C ATOM 151 C GLU A 11 -1.471 9.026 -6.410 1.00 14.34 C ATOM 152 O GLU A 11 -2.617 9.405 -6.678 1.00 61.43 O ATOM 153 CB GLU A 11 -0.159 9.625 -8.446 1.00 4.22 C ATOM 154 CG GLU A 11 -1.325 10.280 -9.204 1.00 23.41 C ATOM 155 CD GLU A 11 -0.756 11.103 -10.329 1.00 70.01 C ATOM 156 OE1 GLU A 11 0.157 11.923 -10.076 1.00 31.13 O ATOM 157 OE2 GLU A 11 -1.193 10.916 -11.480 1.00 32.31 O ATOM 0 H GLU A 11 -2.028 7.722 -8.698 1.00 4.42 H new ATOM 0 HA GLU A 11 0.388 8.144 -7.087 1.00 12.23 H new ATOM 0 HB2 GLU A 11 0.376 10.398 -7.894 1.00 4.22 H new ATOM 0 HB3 GLU A 11 0.540 9.210 -9.172 1.00 4.22 H new ATOM 0 HG2 GLU A 11 -1.999 9.518 -9.595 1.00 23.41 H new ATOM 0 HG3 GLU A 11 -1.909 10.908 -8.532 1.00 23.41 H new ATOM 164 N LEU A 12 -1.032 8.926 -5.176 1.00 71.23 N ATOM 165 CA LEU A 12 -1.898 9.246 -4.100 1.00 5.25 C ATOM 166 C LEU A 12 -1.112 10.048 -3.160 1.00 54.05 C ATOM 167 O LEU A 12 0.046 9.741 -2.884 1.00 13.45 O ATOM 168 CB LEU A 12 -2.461 7.995 -3.387 1.00 24.41 C ATOM 169 CG LEU A 12 -3.958 8.099 -3.084 1.00 52.04 C ATOM 170 CD1 LEU A 12 -4.676 6.777 -3.356 1.00 1.43 C ATOM 171 CD2 LEU A 12 -4.251 8.694 -1.698 1.00 3.51 C ATOM 0 H LEU A 12 -0.093 8.629 -4.910 1.00 71.23 H new ATOM 0 HA LEU A 12 -2.765 9.785 -4.481 1.00 5.25 H new ATOM 0 HB2 LEU A 12 -2.282 7.118 -4.010 1.00 24.41 H new ATOM 0 HB3 LEU A 12 -1.918 7.840 -2.455 1.00 24.41 H new ATOM 0 HG LEU A 12 -4.379 8.823 -3.782 1.00 52.04 H new ATOM 0 HD11 LEU A 12 -5.737 6.886 -3.131 1.00 1.43 H new ATOM 0 HD12 LEU A 12 -4.554 6.506 -4.405 1.00 1.43 H new ATOM 0 HD13 LEU A 12 -4.250 5.995 -2.727 1.00 1.43 H new ATOM 0 HD21 LEU A 12 -5.329 8.742 -1.543 1.00 3.51 H new ATOM 0 HD22 LEU A 12 -3.801 8.065 -0.930 1.00 3.51 H new ATOM 0 HD23 LEU A 12 -3.831 9.698 -1.637 1.00 3.51 H new ATOM 183 N ALA A 13 -1.702 11.137 -2.699 1.00 5.12 N ATOM 184 CA ALA A 13 -1.013 12.037 -1.851 1.00 22.23 C ATOM 185 C ALA A 13 -1.181 11.538 -0.471 1.00 51.50 C ATOM 186 O ALA A 13 -2.178 10.948 -0.140 1.00 23.41 O ATOM 187 CB ALA A 13 -1.560 13.471 -1.895 1.00 30.41 C ATOM 0 H ALA A 13 -2.664 11.403 -2.911 1.00 5.12 H new ATOM 0 HA ALA A 13 0.024 12.080 -2.183 1.00 22.23 H new ATOM 0 HB1 ALA A 13 -0.982 14.102 -1.220 1.00 30.41 H new ATOM 0 HB2 ALA A 13 -1.482 13.859 -2.911 1.00 30.41 H new ATOM 0 HB3 ALA A 13 -2.605 13.471 -1.586 1.00 30.41 H new ATOM 193 N LYS A 14 -0.184 11.779 0.361 1.00 35.22 N ATOM 194 CA LYS A 14 -0.307 11.504 1.777 1.00 12.52 C ATOM 195 C LYS A 14 -1.180 12.600 2.343 1.00 62.31 C ATOM 196 O LYS A 14 -2.011 12.365 3.215 1.00 34.02 O ATOM 197 CB LYS A 14 1.074 11.516 2.461 1.00 41.22 C ATOM 198 CG LYS A 14 1.865 10.243 2.128 1.00 45.12 C ATOM 199 CD LYS A 14 3.356 10.437 1.840 1.00 44.52 C ATOM 200 CE LYS A 14 4.211 10.917 3.010 1.00 1.42 C ATOM 201 NZ LYS A 14 5.635 10.912 2.621 1.00 73.12 N ATOM 0 H LYS A 14 0.718 12.164 0.079 1.00 35.22 H new ATOM 0 HA LYS A 14 -0.738 10.518 1.948 1.00 12.52 H new ATOM 0 HB2 LYS A 14 1.636 12.392 2.138 1.00 41.22 H new ATOM 0 HB3 LYS A 14 0.948 11.598 3.541 1.00 41.22 H new ATOM 0 HG2 LYS A 14 1.763 9.547 2.961 1.00 45.12 H new ATOM 0 HG3 LYS A 14 1.406 9.770 1.260 1.00 45.12 H new ATOM 0 HD2 LYS A 14 3.762 9.490 1.484 1.00 44.52 H new ATOM 0 HD3 LYS A 14 3.457 11.154 1.025 1.00 44.52 H new ATOM 0 HE2 LYS A 14 3.908 11.922 3.306 1.00 1.42 H new ATOM 0 HE3 LYS A 14 4.058 10.270 3.874 1.00 1.42 H new ATOM 0 HZ1 LYS A 14 6.228 10.972 3.473 1.00 73.12 H new ATOM 0 HZ2 LYS A 14 5.852 10.033 2.109 1.00 73.12 H new ATOM 0 HZ3 LYS A 14 5.830 11.728 2.006 1.00 73.12 H new ATOM 215 N ASN A 15 -1.035 13.806 1.754 1.00 12.33 N ATOM 216 CA ASN A 15 -1.812 14.991 2.101 1.00 71.13 C ATOM 217 C ASN A 15 -1.314 15.508 3.428 1.00 33.54 C ATOM 218 O ASN A 15 -1.561 14.911 4.481 1.00 54.14 O ATOM 219 CB ASN A 15 -3.362 14.799 2.115 1.00 0.11 C ATOM 220 CG ASN A 15 -4.043 16.175 2.092 1.00 64.04 C ATOM 221 OD1 ASN A 15 -3.860 16.997 2.999 1.00 43.21 O ATOM 222 ND2 ASN A 15 -4.838 16.446 1.037 1.00 35.35 N ATOM 0 H ASN A 15 -0.358 13.975 1.010 1.00 12.33 H new ATOM 0 HA ASN A 15 -1.653 15.717 1.304 1.00 71.13 H new ATOM 0 HB2 ASN A 15 -3.675 14.211 1.252 1.00 0.11 H new ATOM 0 HB3 ASN A 15 -3.664 14.246 3.004 1.00 0.11 H new ATOM 0 HD21 ASN A 15 -5.308 17.349 0.971 1.00 35.35 H new ATOM 0 HD22 ASN A 15 -4.969 15.748 0.305 1.00 35.35 H new ATOM 229 N ASP A 16 -0.537 16.630 3.380 1.00 1.33 N ATOM 230 CA ASP A 16 0.155 17.193 4.557 1.00 43.42 C ATOM 231 C ASP A 16 1.113 16.148 5.074 1.00 72.34 C ATOM 232 O ASP A 16 1.317 16.000 6.272 1.00 23.14 O ATOM 233 CB ASP A 16 -0.780 17.711 5.696 1.00 75.42 C ATOM 234 CG ASP A 16 0.040 18.504 6.710 1.00 64.13 C ATOM 235 OD1 ASP A 16 0.765 19.438 6.301 1.00 73.14 O ATOM 236 OD2 ASP A 16 -0.046 18.207 7.923 1.00 42.34 O ATOM 0 H ASP A 16 -0.380 17.160 2.523 1.00 1.33 H new ATOM 0 HA ASP A 16 0.678 18.090 4.225 1.00 43.42 H new ATOM 0 HB2 ASP A 16 -1.566 18.340 5.277 1.00 75.42 H new ATOM 0 HB3 ASP A 16 -1.271 16.871 6.187 1.00 75.42 H new ATOM 241 N ASN A 17 1.729 15.421 4.100 1.00 72.25 N ATOM 242 CA ASN A 17 2.702 14.316 4.307 1.00 42.42 C ATOM 243 C ASN A 17 2.273 13.269 5.339 1.00 62.14 C ATOM 244 O ASN A 17 3.034 12.333 5.599 1.00 0.04 O ATOM 245 CB ASN A 17 4.134 14.791 4.660 1.00 60.00 C ATOM 246 CG ASN A 17 4.676 15.590 3.483 1.00 40.21 C ATOM 247 OD1 ASN A 17 5.211 15.022 2.522 1.00 72.15 O ATOM 248 ND2 ASN A 17 4.541 16.927 3.537 1.00 2.14 N ATOM 0 H ASN A 17 1.553 15.598 3.111 1.00 72.25 H new ATOM 0 HA ASN A 17 2.715 13.844 3.324 1.00 42.42 H new ATOM 0 HB2 ASN A 17 4.119 15.404 5.561 1.00 60.00 H new ATOM 0 HB3 ASN A 17 4.778 13.936 4.867 1.00 60.00 H new ATOM 0 HD21 ASN A 17 4.885 17.506 2.771 1.00 2.14 H new ATOM 0 HD22 ASN A 17 4.095 17.362 4.344 1.00 2.14 H new ATOM 255 N SER A 18 1.075 13.372 5.937 1.00 53.14 N ATOM 256 CA SER A 18 0.693 12.476 6.989 1.00 51.12 C ATOM 257 C SER A 18 0.102 11.277 6.336 1.00 4.33 C ATOM 258 O SER A 18 -0.631 11.390 5.369 1.00 74.45 O ATOM 259 CB SER A 18 -0.377 13.115 7.936 1.00 4.34 C ATOM 260 OG SER A 18 -0.707 12.269 9.061 1.00 52.34 O ATOM 0 H SER A 18 0.372 14.071 5.696 1.00 53.14 H new ATOM 0 HA SER A 18 1.565 12.233 7.597 1.00 51.12 H new ATOM 0 HB2 SER A 18 -0.005 14.071 8.303 1.00 4.34 H new ATOM 0 HB3 SER A 18 -1.282 13.323 7.366 1.00 4.34 H new ATOM 0 HG SER A 18 -1.377 12.715 9.620 1.00 52.34 H new ATOM 266 N LEU A 19 0.421 10.103 6.852 1.00 72.32 N ATOM 267 CA LEU A 19 -0.159 8.901 6.356 1.00 71.50 C ATOM 268 C LEU A 19 -0.691 8.214 7.562 1.00 43.14 C ATOM 269 O LEU A 19 -1.165 8.868 8.485 1.00 5.43 O ATOM 270 CB LEU A 19 0.820 7.956 5.565 1.00 10.04 C ATOM 271 CG LEU A 19 2.132 7.510 6.294 1.00 53.51 C ATOM 272 CD1 LEU A 19 2.784 6.331 5.568 1.00 21.21 C ATOM 273 CD2 LEU A 19 3.141 8.653 6.521 1.00 44.25 C ATOM 0 H LEU A 19 1.083 9.973 7.617 1.00 72.32 H new ATOM 0 HA LEU A 19 -0.918 9.148 5.613 1.00 71.50 H new ATOM 0 HB2 LEU A 19 0.269 7.059 5.283 1.00 10.04 H new ATOM 0 HB3 LEU A 19 1.102 8.460 4.641 1.00 10.04 H new ATOM 0 HG LEU A 19 1.827 7.188 7.290 1.00 53.51 H new ATOM 0 HD11 LEU A 19 3.694 6.039 6.093 1.00 21.21 H new ATOM 0 HD12 LEU A 19 2.092 5.489 5.546 1.00 21.21 H new ATOM 0 HD13 LEU A 19 3.032 6.624 4.548 1.00 21.21 H new ATOM 0 HD21 LEU A 19 4.023 8.264 7.031 1.00 44.25 H new ATOM 0 HD22 LEU A 19 3.434 9.076 5.560 1.00 44.25 H new ATOM 0 HD23 LEU A 19 2.681 9.429 7.133 1.00 44.25 H new ATOM 285 N GLY A 20 -0.632 6.890 7.595 1.00 24.33 N ATOM 286 CA GLY A 20 -1.152 6.156 8.708 1.00 11.01 C ATOM 287 C GLY A 20 -2.285 5.397 8.168 1.00 54.10 C ATOM 288 O GLY A 20 -3.436 5.747 8.384 1.00 11.50 O ATOM 0 H GLY A 20 -0.226 6.315 6.857 1.00 24.33 H new ATOM 0 HA2 GLY A 20 -0.397 5.492 9.130 1.00 11.01 H new ATOM 0 HA3 GLY A 20 -1.471 6.825 9.507 1.00 11.01 H new ATOM 292 N ILE A 21 -1.972 4.344 7.420 1.00 43.42 N ATOM 293 CA ILE A 21 -2.963 3.446 6.904 1.00 24.54 C ATOM 294 C ILE A 21 -2.809 2.264 7.825 1.00 24.32 C ATOM 295 O ILE A 21 -1.924 2.293 8.683 1.00 73.23 O ATOM 296 CB ILE A 21 -2.691 3.029 5.437 1.00 63.43 C ATOM 297 CG1 ILE A 21 -2.171 4.239 4.603 1.00 74.41 C ATOM 298 CG2 ILE A 21 -3.980 2.418 4.821 1.00 62.02 C ATOM 299 CD1 ILE A 21 -3.185 5.386 4.470 1.00 54.40 C ATOM 0 H ILE A 21 -1.016 4.101 7.161 1.00 43.42 H new ATOM 0 HA ILE A 21 -3.960 3.886 6.879 1.00 24.54 H new ATOM 0 HB ILE A 21 -1.909 2.270 5.419 1.00 63.43 H new ATOM 0 HG12 ILE A 21 -1.262 4.623 5.066 1.00 74.41 H new ATOM 0 HG13 ILE A 21 -1.899 3.891 3.607 1.00 74.41 H new ATOM 0 HG21 ILE A 21 -3.787 2.125 3.789 1.00 62.02 H new ATOM 0 HG22 ILE A 21 -4.279 1.542 5.397 1.00 62.02 H new ATOM 0 HG23 ILE A 21 -4.780 3.158 4.844 1.00 62.02 H new ATOM 0 HD11 ILE A 21 -2.749 6.190 3.877 1.00 54.40 H new ATOM 0 HD12 ILE A 21 -4.086 5.020 3.979 1.00 54.40 H new ATOM 0 HD13 ILE A 21 -3.440 5.763 5.460 1.00 54.40 H new ATOM 311 N CYS A 22 -3.627 1.215 7.693 1.00 31.51 N ATOM 312 CA CYS A 22 -3.391 0.067 8.570 1.00 72.33 C ATOM 313 C CYS A 22 -3.154 -1.054 7.609 1.00 5.44 C ATOM 314 O CYS A 22 -3.496 -0.963 6.438 1.00 5.30 O ATOM 315 CB CYS A 22 -4.664 -0.294 9.402 1.00 33.04 C ATOM 316 SG CYS A 22 -5.633 1.188 9.930 1.00 63.43 S ATOM 0 H CYS A 22 -4.404 1.135 7.037 1.00 31.51 H new ATOM 0 HA CYS A 22 -2.581 0.262 9.273 1.00 72.33 H new ATOM 0 HB2 CYS A 22 -5.305 -0.947 8.809 1.00 33.04 H new ATOM 0 HB3 CYS A 22 -4.365 -0.858 10.285 1.00 33.04 H new ATOM 321 N VAL A 23 -2.373 -2.056 8.032 1.00 1.21 N ATOM 322 CA VAL A 23 -1.843 -2.996 7.087 1.00 71.30 C ATOM 323 C VAL A 23 -1.642 -4.276 7.819 1.00 55.44 C ATOM 324 O VAL A 23 -1.730 -4.322 9.043 1.00 1.55 O ATOM 325 CB VAL A 23 -0.494 -2.575 6.469 1.00 22.14 C ATOM 326 CG1 VAL A 23 -0.737 -1.496 5.383 1.00 43.34 C ATOM 327 CG2 VAL A 23 0.477 -2.114 7.582 1.00 3.52 C ATOM 0 H VAL A 23 -2.109 -2.220 9.004 1.00 1.21 H new ATOM 0 HA VAL A 23 -2.549 -3.071 6.260 1.00 71.30 H new ATOM 0 HB VAL A 23 -0.019 -3.423 5.976 1.00 22.14 H new ATOM 0 HG11 VAL A 23 0.216 -1.198 4.946 1.00 43.34 H new ATOM 0 HG12 VAL A 23 -1.382 -1.903 4.604 1.00 43.34 H new ATOM 0 HG13 VAL A 23 -1.216 -0.627 5.834 1.00 43.34 H new ATOM 0 HG21 VAL A 23 1.427 -1.819 7.137 1.00 3.52 H new ATOM 0 HG22 VAL A 23 0.046 -1.265 8.113 1.00 3.52 H new ATOM 0 HG23 VAL A 23 0.643 -2.933 8.282 1.00 3.52 H new ATOM 337 N THR A 24 -1.365 -5.341 7.069 1.00 64.23 N ATOM 338 CA THR A 24 -1.107 -6.615 7.649 1.00 71.34 C ATOM 339 C THR A 24 -0.381 -7.376 6.570 1.00 13.22 C ATOM 340 O THR A 24 -0.358 -6.941 5.415 1.00 61.14 O ATOM 341 CB THR A 24 -2.387 -7.350 8.126 1.00 63.22 C ATOM 342 OG1 THR A 24 -2.099 -8.626 8.709 1.00 53.23 O ATOM 343 CG2 THR A 24 -3.404 -7.488 6.961 1.00 21.04 C ATOM 0 H THR A 24 -1.318 -5.324 6.050 1.00 64.23 H new ATOM 0 HA THR A 24 -0.520 -6.521 8.562 1.00 71.34 H new ATOM 0 HB THR A 24 -2.835 -6.740 8.911 1.00 63.22 H new ATOM 0 HG1 THR A 24 -2.934 -9.051 8.996 1.00 53.23 H new ATOM 0 HG21 THR A 24 -4.295 -8.006 7.315 1.00 21.04 H new ATOM 0 HG22 THR A 24 -3.680 -6.497 6.600 1.00 21.04 H new ATOM 0 HG23 THR A 24 -2.952 -8.058 6.149 1.00 21.04 H new ATOM 351 N GLY A 25 0.263 -8.491 6.934 1.00 73.05 N ATOM 352 CA GLY A 25 1.021 -9.264 5.975 1.00 71.13 C ATOM 353 C GLY A 25 2.429 -8.793 6.013 1.00 3.51 C ATOM 354 O GLY A 25 2.838 -8.132 6.973 1.00 15.10 O ATOM 0 H GLY A 25 0.268 -8.867 7.882 1.00 73.05 H new ATOM 0 HA2 GLY A 25 0.968 -10.326 6.215 1.00 71.13 H new ATOM 0 HA3 GLY A 25 0.606 -9.142 4.975 1.00 71.13 H new ATOM 358 N GLY A 26 3.219 -9.123 4.961 1.00 3.33 N ATOM 359 CA GLY A 26 4.575 -8.641 4.884 1.00 30.21 C ATOM 360 C GLY A 26 5.493 -9.797 4.692 1.00 4.14 C ATOM 361 O GLY A 26 5.839 -10.149 3.573 1.00 4.50 O ATOM 0 H GLY A 26 2.926 -9.711 4.180 1.00 3.33 H new ATOM 0 HA2 GLY A 26 4.678 -7.938 4.057 1.00 30.21 H new ATOM 0 HA3 GLY A 26 4.835 -8.102 5.795 1.00 30.21 H new ATOM 365 N VAL A 27 5.947 -10.399 5.819 1.00 23.13 N ATOM 366 CA VAL A 27 7.052 -11.376 5.822 1.00 44.13 C ATOM 367 C VAL A 27 6.639 -12.726 5.204 1.00 42.01 C ATOM 368 O VAL A 27 7.266 -13.746 5.458 1.00 62.32 O ATOM 369 CB VAL A 27 7.719 -11.594 7.178 1.00 53.21 C ATOM 370 CG1 VAL A 27 9.208 -11.939 6.921 1.00 34.33 C ATOM 371 CG2 VAL A 27 7.550 -10.319 8.011 1.00 51.22 C ATOM 0 H VAL A 27 5.557 -10.219 6.744 1.00 23.13 H new ATOM 0 HA VAL A 27 7.809 -10.911 5.190 1.00 44.13 H new ATOM 0 HB VAL A 27 7.268 -12.415 7.735 1.00 53.21 H new ATOM 0 HG11 VAL A 27 9.714 -12.101 7.873 1.00 34.33 H new ATOM 0 HG12 VAL A 27 9.273 -12.844 6.317 1.00 34.33 H new ATOM 0 HG13 VAL A 27 9.686 -11.115 6.392 1.00 34.33 H new ATOM 0 HG21 VAL A 27 8.021 -10.455 8.985 1.00 51.22 H new ATOM 0 HG22 VAL A 27 8.020 -9.482 7.495 1.00 51.22 H new ATOM 0 HG23 VAL A 27 6.489 -10.111 8.147 1.00 51.22 H new ATOM 381 N ASN A 28 5.537 -12.736 4.434 1.00 55.32 N ATOM 382 CA ASN A 28 5.018 -13.945 3.741 1.00 43.40 C ATOM 383 C ASN A 28 4.138 -14.693 4.695 1.00 65.44 C ATOM 384 O ASN A 28 3.672 -15.780 4.398 1.00 22.04 O ATOM 385 CB ASN A 28 6.099 -14.908 3.140 1.00 52.31 C ATOM 386 CG ASN A 28 5.462 -15.797 2.064 1.00 34.10 C ATOM 387 OD1 ASN A 28 5.218 -16.996 2.279 1.00 32.44 O ATOM 388 ND2 ASN A 28 5.193 -15.209 0.877 1.00 11.21 N ATOM 0 H ASN A 28 4.972 -11.903 4.269 1.00 55.32 H new ATOM 0 HA ASN A 28 4.472 -13.581 2.871 1.00 43.40 H new ATOM 0 HB2 ASN A 28 6.916 -14.329 2.710 1.00 52.31 H new ATOM 0 HB3 ASN A 28 6.527 -15.526 3.929 1.00 52.31 H new ATOM 0 HD21 ASN A 28 4.776 -15.753 0.121 1.00 11.21 H new ATOM 0 HD22 ASN A 28 5.407 -14.222 0.737 1.00 11.21 H new ATOM 395 N THR A 29 3.900 -14.054 5.858 1.00 52.20 N ATOM 396 CA THR A 29 2.890 -14.414 6.858 1.00 53.45 C ATOM 397 C THR A 29 1.499 -14.734 6.215 1.00 51.52 C ATOM 398 O THR A 29 1.383 -14.945 5.033 1.00 1.34 O ATOM 399 CB THR A 29 2.785 -13.362 7.956 1.00 1.20 C ATOM 400 OG1 THR A 29 2.546 -12.066 7.398 1.00 2.51 O ATOM 401 CG2 THR A 29 4.143 -13.331 8.689 1.00 35.53 C ATOM 0 H THR A 29 4.437 -13.232 6.134 1.00 52.20 H new ATOM 0 HA THR A 29 3.229 -15.337 7.328 1.00 53.45 H new ATOM 0 HB THR A 29 1.961 -13.610 8.625 1.00 1.20 H new ATOM 0 HG1 THR A 29 2.480 -11.406 8.120 1.00 2.51 H new ATOM 0 HG21 THR A 29 4.110 -12.588 9.486 1.00 35.53 H new ATOM 0 HG22 THR A 29 4.348 -14.312 9.117 1.00 35.53 H new ATOM 0 HG23 THR A 29 4.932 -13.071 7.983 1.00 35.53 H new ATOM 409 N SER A 30 0.441 -14.860 7.059 1.00 72.51 N ATOM 410 CA SER A 30 -0.871 -15.415 6.664 1.00 24.51 C ATOM 411 C SER A 30 -1.457 -14.787 5.372 1.00 20.51 C ATOM 412 O SER A 30 -2.347 -15.384 4.742 1.00 13.22 O ATOM 413 CB SER A 30 -1.915 -15.271 7.781 1.00 15.31 C ATOM 414 OG SER A 30 -1.406 -15.789 9.027 1.00 52.55 O ATOM 0 H SER A 30 0.480 -14.576 8.038 1.00 72.51 H new ATOM 0 HA SER A 30 -0.666 -16.468 6.469 1.00 24.51 H new ATOM 0 HB2 SER A 30 -2.184 -14.221 7.901 1.00 15.31 H new ATOM 0 HB3 SER A 30 -2.825 -15.804 7.505 1.00 15.31 H new ATOM 0 HG SER A 30 -2.085 -15.686 9.726 1.00 52.55 H new ATOM 420 N VAL A 31 -0.974 -13.602 4.948 1.00 70.33 N ATOM 421 CA VAL A 31 -1.371 -13.043 3.667 1.00 4.10 C ATOM 422 C VAL A 31 -0.816 -13.952 2.565 1.00 3.12 C ATOM 423 O VAL A 31 0.350 -14.320 2.570 1.00 2.34 O ATOM 424 CB VAL A 31 -0.878 -11.632 3.450 1.00 2.03 C ATOM 425 CG1 VAL A 31 -1.667 -10.701 4.398 1.00 0.34 C ATOM 426 CG2 VAL A 31 0.659 -11.574 3.668 1.00 64.15 C ATOM 0 H VAL A 31 -0.316 -13.029 5.477 1.00 70.33 H new ATOM 0 HA VAL A 31 -2.460 -12.994 3.646 1.00 4.10 H new ATOM 0 HB VAL A 31 -1.052 -11.297 2.428 1.00 2.03 H new ATOM 0 HG11 VAL A 31 -1.330 -9.673 4.262 1.00 0.34 H new ATOM 0 HG12 VAL A 31 -2.731 -10.767 4.171 1.00 0.34 H new ATOM 0 HG13 VAL A 31 -1.497 -11.005 5.431 1.00 0.34 H new ATOM 0 HG21 VAL A 31 1.011 -10.554 3.510 1.00 64.15 H new ATOM 0 HG22 VAL A 31 0.894 -11.886 4.686 1.00 64.15 H new ATOM 0 HG23 VAL A 31 1.152 -12.241 2.961 1.00 64.15 H new ATOM 436 N ARG A 32 -1.676 -14.376 1.626 1.00 1.21 N ATOM 437 CA ARG A 32 -1.302 -15.409 0.679 1.00 30.30 C ATOM 438 C ARG A 32 -0.212 -14.925 -0.245 1.00 10.05 C ATOM 439 O ARG A 32 0.805 -15.592 -0.411 1.00 43.55 O ATOM 440 CB ARG A 32 -2.503 -15.878 -0.178 1.00 63.11 C ATOM 441 CG ARG A 32 -2.199 -17.090 -1.073 1.00 43.42 C ATOM 442 CD ARG A 32 -3.445 -17.655 -1.772 1.00 5.41 C ATOM 443 NE ARG A 32 -4.404 -18.114 -0.700 1.00 74.43 N ATOM 444 CZ ARG A 32 -5.749 -18.323 -0.970 1.00 11.35 C ATOM 445 NH1 ARG A 32 -6.243 -18.138 -2.235 1.00 2.53 N ATOM 446 NH2 ARG A 32 -6.580 -18.711 0.038 1.00 64.32 N ATOM 0 H ARG A 32 -2.624 -14.017 1.512 1.00 1.21 H new ATOM 0 HA ARG A 32 -0.943 -16.251 1.271 1.00 30.30 H new ATOM 0 HB2 ARG A 32 -3.333 -16.127 0.484 1.00 63.11 H new ATOM 0 HB3 ARG A 32 -2.833 -15.050 -0.805 1.00 63.11 H new ATOM 0 HG2 ARG A 32 -1.467 -16.802 -1.827 1.00 43.42 H new ATOM 0 HG3 ARG A 32 -1.743 -17.874 -0.469 1.00 43.42 H new ATOM 0 HD2 ARG A 32 -3.909 -16.895 -2.400 1.00 5.41 H new ATOM 0 HD3 ARG A 32 -3.174 -18.485 -2.424 1.00 5.41 H new ATOM 0 HE ARG A 32 -4.055 -18.274 0.245 1.00 74.43 H new ATOM 0 HH11 ARG A 32 -5.620 -17.844 -2.988 1.00 2.53 H new ATOM 0 HH12 ARG A 32 -7.233 -18.294 -2.424 1.00 2.53 H new ATOM 0 HH21 ARG A 32 -6.212 -18.845 0.980 1.00 64.32 H new ATOM 0 HH22 ARG A 32 -7.570 -18.867 -0.149 1.00 64.32 H new ATOM 460 N HIS A 33 -0.414 -13.762 -0.902 1.00 61.35 N ATOM 461 CA HIS A 33 0.490 -13.379 -1.981 1.00 34.22 C ATOM 462 C HIS A 33 1.811 -12.910 -1.413 1.00 5.11 C ATOM 463 O HIS A 33 2.809 -12.927 -2.111 1.00 51.21 O ATOM 464 CB HIS A 33 -0.064 -12.286 -2.938 1.00 2.12 C ATOM 465 CG HIS A 33 0.730 -12.180 -4.240 1.00 73.35 C ATOM 466 ND1 HIS A 33 0.378 -11.331 -5.260 1.00 22.23 N ATOM 467 CD2 HIS A 33 1.806 -12.886 -4.674 1.00 13.33 C ATOM 468 CE1 HIS A 33 1.218 -11.510 -6.271 1.00 34.13 C ATOM 469 NE2 HIS A 33 2.095 -12.455 -5.936 1.00 14.21 N ATOM 0 H HIS A 33 -1.167 -13.102 -0.707 1.00 61.35 H new ATOM 0 HA HIS A 33 0.613 -14.280 -2.581 1.00 34.22 H new ATOM 0 HB2 HIS A 33 -1.106 -12.507 -3.170 1.00 2.12 H new ATOM 0 HB3 HIS A 33 -0.049 -11.322 -2.429 1.00 2.12 H new ATOM 0 HD1 HIS A 33 -0.400 -10.672 -5.243 1.00 22.23 H new ATOM 0 HD2 HIS A 33 2.336 -13.648 -4.122 1.00 13.33 H new ATOM 0 HE1 HIS A 33 1.195 -10.978 -7.210 1.00 34.13 H new ATOM 478 N GLY A 34 1.869 -12.504 -0.124 1.00 74.20 N ATOM 479 CA GLY A 34 3.165 -12.216 0.489 1.00 74.34 C ATOM 480 C GLY A 34 3.365 -10.734 0.520 1.00 21.43 C ATOM 481 O GLY A 34 4.325 -10.249 1.087 1.00 23.11 O ATOM 0 H GLY A 34 1.061 -12.375 0.484 1.00 74.20 H new ATOM 0 HA2 GLY A 34 3.203 -12.623 1.499 1.00 74.34 H new ATOM 0 HA3 GLY A 34 3.965 -12.693 -0.078 1.00 74.34 H new ATOM 485 N GLY A 35 2.456 -9.983 -0.110 1.00 43.31 N ATOM 486 CA GLY A 35 2.543 -8.538 -0.107 1.00 51.22 C ATOM 487 C GLY A 35 1.959 -8.036 1.181 1.00 11.14 C ATOM 488 O GLY A 35 1.475 -8.807 2.003 1.00 24.44 O ATOM 0 H GLY A 35 1.659 -10.359 -0.623 1.00 43.31 H new ATOM 0 HA2 GLY A 35 3.581 -8.219 -0.203 1.00 51.22 H new ATOM 0 HA3 GLY A 35 2.002 -8.123 -0.957 1.00 51.22 H new ATOM 492 N ILE A 36 1.981 -6.712 1.341 1.00 65.34 N ATOM 493 CA ILE A 36 1.374 -6.056 2.451 1.00 0.42 C ATOM 494 C ILE A 36 -0.005 -5.801 2.019 1.00 44.54 C ATOM 495 O ILE A 36 -0.229 -5.373 0.905 1.00 22.23 O ATOM 496 CB ILE A 36 2.062 -4.748 2.757 1.00 35.31 C ATOM 497 CG1 ILE A 36 3.345 -5.072 3.456 1.00 4.02 C ATOM 498 CG2 ILE A 36 1.152 -3.825 3.596 1.00 34.12 C ATOM 499 CD1 ILE A 36 3.118 -5.519 4.867 1.00 62.13 C ATOM 0 H ILE A 36 2.432 -6.076 0.683 1.00 65.34 H new ATOM 0 HA ILE A 36 1.434 -6.660 3.357 1.00 0.42 H new ATOM 0 HB ILE A 36 2.275 -4.197 1.841 1.00 35.31 H new ATOM 0 HG12 ILE A 36 3.869 -5.855 2.908 1.00 4.02 H new ATOM 0 HG13 ILE A 36 3.991 -4.194 3.453 1.00 4.02 H new ATOM 0 HG21 ILE A 36 1.673 -2.890 3.802 1.00 34.12 H new ATOM 0 HG22 ILE A 36 0.236 -3.616 3.043 1.00 34.12 H new ATOM 0 HG23 ILE A 36 0.903 -4.316 4.537 1.00 34.12 H new ATOM 0 HD11 ILE A 36 4.076 -5.744 5.336 1.00 62.13 H new ATOM 0 HD12 ILE A 36 2.618 -4.726 5.424 1.00 62.13 H new ATOM 0 HD13 ILE A 36 2.494 -6.413 4.870 1.00 62.13 H new ATOM 511 N TYR A 37 -0.976 -6.127 2.861 1.00 4.30 N ATOM 512 CA TYR A 37 -2.368 -6.023 2.452 1.00 73.52 C ATOM 513 C TYR A 37 -2.898 -4.844 3.179 1.00 55.34 C ATOM 514 O TYR A 37 -2.439 -4.535 4.284 1.00 31.53 O ATOM 515 CB TYR A 37 -3.267 -7.243 2.868 1.00 71.43 C ATOM 516 CG TYR A 37 -3.042 -8.461 1.967 1.00 3.23 C ATOM 517 CD1 TYR A 37 -1.801 -8.715 1.308 1.00 53.15 C ATOM 518 CD2 TYR A 37 -4.093 -9.398 1.786 1.00 73.11 C ATOM 519 CE1 TYR A 37 -1.631 -9.846 0.507 1.00 2.11 C ATOM 520 CE2 TYR A 37 -3.909 -10.536 0.978 1.00 61.53 C ATOM 521 CZ TYR A 37 -2.680 -10.756 0.340 1.00 10.21 C ATOM 522 OH TYR A 37 -2.494 -11.881 -0.474 1.00 1.21 O ATOM 0 H TYR A 37 -0.830 -6.460 3.814 1.00 4.30 H new ATOM 0 HA TYR A 37 -2.397 -5.967 1.364 1.00 73.52 H new ATOM 0 HB2 TYR A 37 -3.053 -7.514 3.902 1.00 71.43 H new ATOM 0 HB3 TYR A 37 -4.316 -6.950 2.825 1.00 71.43 H new ATOM 0 HD1 TYR A 37 -0.982 -8.022 1.431 1.00 53.15 H new ATOM 0 HD2 TYR A 37 -5.043 -9.236 2.273 1.00 73.11 H new ATOM 0 HE1 TYR A 37 -0.686 -10.019 0.014 1.00 2.11 H new ATOM 0 HE2 TYR A 37 -4.717 -11.241 0.849 1.00 61.53 H new ATOM 0 HH TYR A 37 -3.315 -12.415 -0.486 1.00 1.21 H new ATOM 532 N VAL A 38 -3.892 -4.149 2.584 1.00 62.42 N ATOM 533 CA VAL A 38 -4.501 -3.033 3.243 1.00 2.25 C ATOM 534 C VAL A 38 -5.543 -3.610 4.173 1.00 73.31 C ATOM 535 O VAL A 38 -6.612 -4.070 3.754 1.00 0.23 O ATOM 536 CB VAL A 38 -5.139 -2.044 2.285 1.00 32.53 C ATOM 537 CG1 VAL A 38 -5.766 -0.886 3.088 1.00 62.33 C ATOM 538 CG2 VAL A 38 -4.035 -1.564 1.310 1.00 61.13 C ATOM 0 H VAL A 38 -4.268 -4.358 1.659 1.00 62.42 H new ATOM 0 HA VAL A 38 -3.737 -2.465 3.774 1.00 2.25 H new ATOM 0 HB VAL A 38 -5.944 -2.497 1.706 1.00 32.53 H new ATOM 0 HG11 VAL A 38 -6.225 -0.174 2.402 1.00 62.33 H new ATOM 0 HG12 VAL A 38 -6.525 -1.281 3.763 1.00 62.33 H new ATOM 0 HG13 VAL A 38 -4.991 -0.384 3.667 1.00 62.33 H new ATOM 0 HG21 VAL A 38 -4.458 -0.849 0.604 1.00 61.13 H new ATOM 0 HG22 VAL A 38 -3.234 -1.086 1.874 1.00 61.13 H new ATOM 0 HG23 VAL A 38 -3.634 -2.419 0.765 1.00 61.13 H new ATOM 548 N LYS A 39 -5.178 -3.626 5.462 1.00 43.10 N ATOM 549 CA LYS A 39 -5.983 -4.217 6.510 1.00 61.15 C ATOM 550 C LYS A 39 -7.167 -3.325 6.772 1.00 71.24 C ATOM 551 O LYS A 39 -8.269 -3.797 7.073 1.00 44.22 O ATOM 552 CB LYS A 39 -5.189 -4.347 7.829 1.00 60.12 C ATOM 553 CG LYS A 39 -5.867 -5.215 8.885 1.00 30.11 C ATOM 554 CD LYS A 39 -5.128 -5.202 10.228 1.00 74.11 C ATOM 555 CE LYS A 39 -5.861 -5.962 11.342 1.00 33.33 C ATOM 556 NZ LYS A 39 -7.181 -5.354 11.608 1.00 44.54 N ATOM 0 H LYS A 39 -4.304 -3.221 5.798 1.00 43.10 H new ATOM 0 HA LYS A 39 -6.290 -5.210 6.181 1.00 61.15 H new ATOM 0 HB2 LYS A 39 -4.206 -4.764 7.609 1.00 60.12 H new ATOM 0 HB3 LYS A 39 -5.028 -3.351 8.242 1.00 60.12 H new ATOM 0 HG2 LYS A 39 -6.889 -4.866 9.034 1.00 30.11 H new ATOM 0 HG3 LYS A 39 -5.930 -6.240 8.520 1.00 30.11 H new ATOM 0 HD2 LYS A 39 -4.138 -5.639 10.093 1.00 74.11 H new ATOM 0 HD3 LYS A 39 -4.980 -4.169 10.542 1.00 74.11 H new ATOM 0 HE2 LYS A 39 -5.987 -7.006 11.055 1.00 33.33 H new ATOM 0 HE3 LYS A 39 -5.261 -5.952 12.252 1.00 33.33 H new ATOM 0 HZ1 LYS A 39 -7.550 -5.707 12.514 1.00 44.54 H new ATOM 0 HZ2 LYS A 39 -7.084 -4.320 11.653 1.00 44.54 H new ATOM 0 HZ3 LYS A 39 -7.840 -5.607 10.844 1.00 44.54 H new ATOM 570 N ALA A 40 -6.967 -2.024 6.649 1.00 1.00 N ATOM 571 CA ALA A 40 -8.014 -1.100 6.931 1.00 71.30 C ATOM 572 C ALA A 40 -7.552 0.164 6.364 1.00 63.42 C ATOM 573 O ALA A 40 -6.347 0.396 6.257 1.00 73.04 O ATOM 574 CB ALA A 40 -8.322 -0.875 8.431 1.00 62.11 C ATOM 0 H ALA A 40 -6.087 -1.600 6.356 1.00 1.00 H new ATOM 0 HA ALA A 40 -8.941 -1.494 6.514 1.00 71.30 H new ATOM 0 HB1 ALA A 40 -9.134 -0.155 8.532 1.00 62.11 H new ATOM 0 HB2 ALA A 40 -8.617 -1.820 8.888 1.00 62.11 H new ATOM 0 HB3 ALA A 40 -7.433 -0.492 8.932 1.00 62.11 H new ATOM 580 N VAL A 41 -8.489 0.996 5.957 1.00 2.41 N ATOM 581 CA VAL A 41 -8.178 2.283 5.458 1.00 41.04 C ATOM 582 C VAL A 41 -8.775 3.186 6.471 1.00 1.43 C ATOM 583 O VAL A 41 -9.931 2.994 6.855 1.00 24.42 O ATOM 584 CB VAL A 41 -8.840 2.577 4.108 1.00 74.53 C ATOM 585 CG1 VAL A 41 -8.275 3.894 3.548 1.00 34.55 C ATOM 586 CG2 VAL A 41 -8.592 1.384 3.168 1.00 33.41 C ATOM 0 H VAL A 41 -9.486 0.780 5.971 1.00 2.41 H new ATOM 0 HA VAL A 41 -7.105 2.393 5.301 1.00 41.04 H new ATOM 0 HB VAL A 41 -9.918 2.702 4.213 1.00 74.53 H new ATOM 0 HG11 VAL A 41 -8.741 4.110 2.587 1.00 34.55 H new ATOM 0 HG12 VAL A 41 -8.486 4.706 4.244 1.00 34.55 H new ATOM 0 HG13 VAL A 41 -7.197 3.800 3.415 1.00 34.55 H new ATOM 0 HG21 VAL A 41 -9.058 1.579 2.202 1.00 33.41 H new ATOM 0 HG22 VAL A 41 -7.520 1.245 3.032 1.00 33.41 H new ATOM 0 HG23 VAL A 41 -9.023 0.482 3.603 1.00 33.41 H new ATOM 596 N ILE A 42 -8.028 4.184 6.951 1.00 64.03 N ATOM 597 CA ILE A 42 -8.590 5.121 7.893 1.00 23.44 C ATOM 598 C ILE A 42 -9.501 6.030 7.097 1.00 3.05 C ATOM 599 O ILE A 42 -9.259 6.279 5.913 1.00 61.43 O ATOM 600 CB ILE A 42 -7.548 5.936 8.684 1.00 41.23 C ATOM 601 CG1 ILE A 42 -6.870 7.058 7.849 1.00 15.34 C ATOM 602 CG2 ILE A 42 -6.540 4.940 9.300 1.00 70.24 C ATOM 603 CD1 ILE A 42 -6.142 6.552 6.616 1.00 14.02 C ATOM 0 H ILE A 42 -7.053 4.352 6.702 1.00 64.03 H new ATOM 0 HA ILE A 42 -9.126 4.566 8.663 1.00 23.44 H new ATOM 0 HB ILE A 42 -8.051 6.487 9.479 1.00 41.23 H new ATOM 0 HG12 ILE A 42 -7.629 7.777 7.541 1.00 15.34 H new ATOM 0 HG13 ILE A 42 -6.163 7.592 8.483 1.00 15.34 H new ATOM 0 HG21 ILE A 42 -5.788 5.488 9.868 1.00 70.24 H new ATOM 0 HG22 ILE A 42 -7.066 4.253 9.963 1.00 70.24 H new ATOM 0 HG23 ILE A 42 -6.054 4.375 8.504 1.00 70.24 H new ATOM 0 HD11 ILE A 42 -5.695 7.393 6.086 1.00 14.02 H new ATOM 0 HD12 ILE A 42 -5.359 5.855 6.916 1.00 14.02 H new ATOM 0 HD13 ILE A 42 -6.848 6.043 5.960 1.00 14.02 H new ATOM 615 N PRO A 43 -10.595 6.490 7.700 1.00 23.30 N ATOM 616 CA PRO A 43 -11.529 7.337 7.005 1.00 34.30 C ATOM 617 C PRO A 43 -10.913 8.669 6.964 1.00 65.22 C ATOM 618 O PRO A 43 -9.926 8.891 7.696 1.00 51.42 O ATOM 619 CB PRO A 43 -12.727 7.410 7.941 1.00 65.11 C ATOM 620 CG PRO A 43 -12.067 7.363 9.314 1.00 42.22 C ATOM 621 CD PRO A 43 -10.969 6.289 9.111 1.00 40.24 C ATOM 0 HA PRO A 43 -11.792 6.994 6.004 1.00 34.30 H new ATOM 0 HB2 PRO A 43 -13.301 8.325 7.797 1.00 65.11 H new ATOM 0 HB3 PRO A 43 -13.413 6.576 7.790 1.00 65.11 H new ATOM 0 HG2 PRO A 43 -11.646 8.328 9.597 1.00 42.22 H new ATOM 0 HG3 PRO A 43 -12.773 7.082 10.096 1.00 42.22 H new ATOM 0 HD2 PRO A 43 -10.123 6.439 9.782 1.00 40.24 H new ATOM 0 HD3 PRO A 43 -11.345 5.282 9.293 1.00 40.24 H new ATOM 629 N GLN A 44 -11.526 9.603 6.217 1.00 5.40 N ATOM 630 CA GLN A 44 -11.217 11.009 6.350 1.00 53.40 C ATOM 631 C GLN A 44 -9.718 11.210 6.299 1.00 23.24 C ATOM 632 O GLN A 44 -9.099 11.824 7.186 1.00 62.12 O ATOM 633 CB GLN A 44 -11.836 11.565 7.641 1.00 5.24 C ATOM 634 CG GLN A 44 -13.367 11.552 7.538 1.00 71.51 C ATOM 635 CD GLN A 44 -13.973 12.008 8.840 1.00 13.41 C ATOM 636 OE1 GLN A 44 -13.269 12.426 9.766 1.00 55.32 O ATOM 637 NE2 GLN A 44 -15.300 11.923 8.934 1.00 24.40 N ATOM 0 H GLN A 44 -12.238 9.394 5.517 1.00 5.40 H new ATOM 0 HA GLN A 44 -11.652 11.564 5.519 1.00 53.40 H new ATOM 0 HB2 GLN A 44 -11.516 10.967 8.494 1.00 5.24 H new ATOM 0 HB3 GLN A 44 -11.484 12.582 7.814 1.00 5.24 H new ATOM 0 HG2 GLN A 44 -13.691 12.205 6.728 1.00 71.51 H new ATOM 0 HG3 GLN A 44 -13.715 10.548 7.297 1.00 71.51 H new ATOM 0 HE21 GLN A 44 -15.846 11.572 8.147 1.00 24.40 H new ATOM 0 HE22 GLN A 44 -15.770 12.209 9.793 1.00 24.40 H new ATOM 646 N GLY A 45 -9.129 10.647 5.251 1.00 12.54 N ATOM 647 CA GLY A 45 -7.722 10.629 5.071 1.00 54.35 C ATOM 648 C GLY A 45 -7.579 10.456 3.616 1.00 1.35 C ATOM 649 O GLY A 45 -8.577 10.300 2.920 1.00 61.25 O ATOM 0 H GLY A 45 -9.645 10.187 4.501 1.00 12.54 H new ATOM 0 HA2 GLY A 45 -7.259 11.554 5.415 1.00 54.35 H new ATOM 0 HA3 GLY A 45 -7.254 9.813 5.623 1.00 54.35 H new ATOM 653 N ALA A 46 -6.344 10.492 3.102 1.00 65.32 N ATOM 654 CA ALA A 46 -6.153 10.598 1.669 1.00 3.11 C ATOM 655 C ALA A 46 -6.622 9.337 1.000 1.00 32.15 C ATOM 656 O ALA A 46 -7.431 9.388 0.111 1.00 23.23 O ATOM 657 CB ALA A 46 -4.704 10.839 1.254 1.00 72.04 C ATOM 0 H ALA A 46 -5.485 10.450 3.651 1.00 65.32 H new ATOM 0 HA ALA A 46 -6.734 11.466 1.357 1.00 3.11 H new ATOM 0 HB1 ALA A 46 -4.643 10.907 0.168 1.00 72.04 H new ATOM 0 HB2 ALA A 46 -4.349 11.770 1.696 1.00 72.04 H new ATOM 0 HB3 ALA A 46 -4.084 10.013 1.601 1.00 72.04 H new ATOM 663 N ALA A 47 -6.107 8.176 1.453 1.00 65.01 N ATOM 664 CA ALA A 47 -6.390 6.883 0.784 1.00 73.11 C ATOM 665 C ALA A 47 -7.895 6.658 0.634 1.00 70.14 C ATOM 666 O ALA A 47 -8.373 6.387 -0.462 1.00 43.34 O ATOM 667 CB ALA A 47 -5.810 5.683 1.559 1.00 41.12 C ATOM 0 H ALA A 47 -5.500 8.103 2.269 1.00 65.01 H new ATOM 0 HA ALA A 47 -5.913 6.944 -0.194 1.00 73.11 H new ATOM 0 HB1 ALA A 47 -6.044 4.760 1.029 1.00 41.12 H new ATOM 0 HB2 ALA A 47 -4.728 5.791 1.640 1.00 41.12 H new ATOM 0 HB3 ALA A 47 -6.247 5.649 2.557 1.00 41.12 H new ATOM 673 N GLU A 48 -8.648 6.814 1.727 1.00 73.42 N ATOM 674 CA GLU A 48 -10.116 6.654 1.713 1.00 44.43 C ATOM 675 C GLU A 48 -10.747 7.706 0.813 1.00 42.23 C ATOM 676 O GLU A 48 -11.522 7.384 -0.086 1.00 72.22 O ATOM 677 CB GLU A 48 -10.743 6.818 3.129 1.00 45.22 C ATOM 678 CG GLU A 48 -12.288 6.773 3.172 1.00 42.23 C ATOM 679 CD GLU A 48 -12.763 5.380 2.817 1.00 53.21 C ATOM 680 OE1 GLU A 48 -12.393 4.420 3.531 1.00 30.33 O ATOM 681 OE2 GLU A 48 -13.546 5.237 1.849 1.00 54.44 O ATOM 0 H GLU A 48 -8.267 7.053 2.642 1.00 73.42 H new ATOM 0 HA GLU A 48 -10.313 5.646 1.348 1.00 44.43 H new ATOM 0 HB2 GLU A 48 -10.354 6.031 3.775 1.00 45.22 H new ATOM 0 HB3 GLU A 48 -10.411 7.768 3.549 1.00 45.22 H new ATOM 0 HG2 GLU A 48 -12.643 7.048 4.165 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -12.703 7.499 2.473 1.00 42.23 H new ATOM 688 N SER A 49 -10.462 8.996 1.073 1.00 62.34 N ATOM 689 CA SER A 49 -11.143 10.090 0.382 1.00 71.23 C ATOM 690 C SER A 49 -10.804 10.084 -1.105 1.00 51.10 C ATOM 691 O SER A 49 -11.635 10.460 -1.938 1.00 71.54 O ATOM 692 CB SER A 49 -10.788 11.462 0.978 1.00 21.54 C ATOM 693 OG SER A 49 -11.202 11.497 2.357 1.00 52.13 O ATOM 0 H SER A 49 -9.766 9.298 1.755 1.00 62.34 H new ATOM 0 HA SER A 49 -12.212 9.927 0.516 1.00 71.23 H new ATOM 0 HB2 SER A 49 -9.715 11.639 0.903 1.00 21.54 H new ATOM 0 HB3 SER A 49 -11.282 12.255 0.417 1.00 21.54 H new ATOM 0 HG SER A 49 -10.485 11.143 2.923 1.00 52.13 H new ATOM 699 N ASP A 50 -9.595 9.614 -1.464 1.00 55.20 N ATOM 700 CA ASP A 50 -9.176 9.559 -2.868 1.00 44.04 C ATOM 701 C ASP A 50 -9.878 8.357 -3.464 1.00 20.34 C ATOM 702 O ASP A 50 -10.381 8.388 -4.586 1.00 70.00 O ATOM 703 CB ASP A 50 -7.642 9.385 -3.032 1.00 3.00 C ATOM 704 CG ASP A 50 -7.229 9.837 -4.422 1.00 34.43 C ATOM 705 OD1 ASP A 50 -7.639 9.225 -5.405 1.00 72.23 O ATOM 706 OD2 ASP A 50 -6.490 10.831 -4.529 1.00 72.41 O ATOM 0 H ASP A 50 -8.899 9.270 -0.803 1.00 55.20 H new ATOM 0 HA ASP A 50 -9.433 10.496 -3.362 1.00 44.04 H new ATOM 0 HB2 ASP A 50 -7.116 9.969 -2.277 1.00 3.00 H new ATOM 0 HB3 ASP A 50 -7.365 8.342 -2.879 1.00 3.00 H new ATOM 711 N GLY A 51 -10.022 7.301 -2.633 1.00 54.21 N ATOM 712 CA GLY A 51 -10.900 6.188 -2.940 1.00 52.22 C ATOM 713 C GLY A 51 -10.326 5.309 -3.977 1.00 34.41 C ATOM 714 O GLY A 51 -11.072 4.680 -4.726 1.00 34.14 O ATOM 0 H GLY A 51 -9.531 7.211 -1.743 1.00 54.21 H new ATOM 0 HA2 GLY A 51 -11.085 5.610 -2.035 1.00 52.22 H new ATOM 0 HA3 GLY A 51 -11.864 6.568 -3.278 1.00 52.22 H new ATOM 718 N ARG A 52 -8.986 5.201 -4.062 1.00 3.41 N ATOM 719 CA ARG A 52 -8.443 4.265 -5.021 1.00 51.43 C ATOM 720 C ARG A 52 -8.112 3.038 -4.265 1.00 20.21 C ATOM 721 O ARG A 52 -8.526 1.946 -4.611 1.00 21.25 O ATOM 722 CB ARG A 52 -7.192 4.801 -5.738 1.00 74.35 C ATOM 723 CG ARG A 52 -7.485 6.137 -6.425 1.00 71.43 C ATOM 724 CD ARG A 52 -6.344 6.692 -7.290 1.00 53.14 C ATOM 725 NE ARG A 52 -6.731 8.096 -7.649 1.00 23.02 N ATOM 726 CZ ARG A 52 -6.808 8.555 -8.954 1.00 71.53 C ATOM 727 NH1 ARG A 52 -6.434 7.757 -10.005 1.00 4.35 N ATOM 728 NH2 ARG A 52 -7.276 9.820 -9.185 1.00 1.42 N ATOM 0 H ARG A 52 -8.307 5.723 -3.508 1.00 3.41 H new ATOM 0 HA ARG A 52 -9.176 4.081 -5.806 1.00 51.43 H new ATOM 0 HB2 ARG A 52 -6.382 4.927 -5.019 1.00 74.35 H new ATOM 0 HB3 ARG A 52 -6.852 4.075 -6.476 1.00 74.35 H new ATOM 0 HG2 ARG A 52 -8.370 6.019 -7.051 1.00 71.43 H new ATOM 0 HG3 ARG A 52 -7.731 6.874 -5.661 1.00 71.43 H new ATOM 0 HD2 ARG A 52 -5.400 6.676 -6.745 1.00 53.14 H new ATOM 0 HD3 ARG A 52 -6.205 6.086 -8.185 1.00 53.14 H new ATOM 0 HE ARG A 52 -6.949 8.746 -6.894 1.00 23.02 H new ATOM 0 HH11 ARG A 52 -6.093 6.811 -9.831 1.00 4.35 H new ATOM 0 HH12 ARG A 52 -6.496 8.109 -10.960 1.00 4.35 H new ATOM 0 HH21 ARG A 52 -7.561 10.409 -8.403 1.00 1.42 H new ATOM 0 HH22 ARG A 52 -7.339 10.174 -10.140 1.00 1.42 H new ATOM 742 N ILE A 53 -7.435 3.217 -3.149 1.00 74.22 N ATOM 743 CA ILE A 53 -7.229 2.184 -2.188 1.00 2.41 C ATOM 744 C ILE A 53 -8.572 1.789 -1.555 1.00 72.43 C ATOM 745 O ILE A 53 -9.472 2.609 -1.394 1.00 23.44 O ATOM 746 CB ILE A 53 -6.253 2.703 -1.128 1.00 54.33 C ATOM 747 CG1 ILE A 53 -4.877 2.932 -1.808 1.00 62.14 C ATOM 748 CG2 ILE A 53 -6.140 1.731 0.056 1.00 73.34 C ATOM 749 CD1 ILE A 53 -3.940 3.859 -1.047 1.00 31.22 C ATOM 0 H ILE A 53 -7.009 4.107 -2.891 1.00 74.22 H new ATOM 0 HA ILE A 53 -6.809 1.296 -2.662 1.00 2.41 H new ATOM 0 HB ILE A 53 -6.621 3.643 -0.718 1.00 54.33 H new ATOM 0 HG12 ILE A 53 -4.386 1.968 -1.938 1.00 62.14 H new ATOM 0 HG13 ILE A 53 -5.043 3.342 -2.804 1.00 62.14 H new ATOM 0 HG21 ILE A 53 -5.439 2.131 0.789 1.00 73.34 H new ATOM 0 HG22 ILE A 53 -7.119 1.607 0.519 1.00 73.34 H new ATOM 0 HG23 ILE A 53 -5.782 0.765 -0.299 1.00 73.34 H new ATOM 0 HD11 ILE A 53 -3.004 3.961 -1.596 1.00 31.22 H new ATOM 0 HD12 ILE A 53 -4.406 4.839 -0.939 1.00 31.22 H new ATOM 0 HD13 ILE A 53 -3.739 3.443 -0.060 1.00 31.22 H new ATOM 761 N HIS A 54 -8.673 0.491 -1.190 1.00 4.12 N ATOM 762 CA HIS A 54 -9.772 -0.007 -0.447 1.00 63.02 C ATOM 763 C HIS A 54 -9.226 -1.217 0.253 1.00 32.51 C ATOM 764 O HIS A 54 -8.115 -1.655 -0.057 1.00 51.52 O ATOM 765 CB HIS A 54 -11.038 -0.379 -1.277 1.00 52.34 C ATOM 766 CG HIS A 54 -10.940 -1.675 -2.014 1.00 21.30 C ATOM 767 ND1 HIS A 54 -10.489 -1.794 -3.289 1.00 21.34 N ATOM 768 CD2 HIS A 54 -11.224 -2.881 -1.582 1.00 44.31 C ATOM 769 CE1 HIS A 54 -10.507 -3.083 -3.611 1.00 31.51 C ATOM 770 NE2 HIS A 54 -10.957 -3.760 -2.574 1.00 42.52 N ATOM 0 H HIS A 54 -7.974 -0.215 -1.420 1.00 4.12 H new ATOM 0 HA HIS A 54 -10.141 0.774 0.218 1.00 63.02 H new ATOM 0 HB2 HIS A 54 -11.896 -0.421 -0.607 1.00 52.34 H new ATOM 0 HB3 HIS A 54 -11.233 0.418 -1.994 1.00 52.34 H new ATOM 0 HD2 HIS A 54 -11.605 -3.129 -0.602 1.00 44.31 H new ATOM 0 HE1 HIS A 54 -10.205 -3.503 -4.559 1.00 31.51 H new ATOM 0 HE2 HIS A 54 -11.082 -4.771 -2.528 1.00 42.52 H new ATOM 779 N LYS A 55 -9.961 -1.757 1.243 1.00 12.24 N ATOM 780 CA LYS A 55 -9.476 -2.888 2.034 1.00 73.22 C ATOM 781 C LYS A 55 -9.371 -4.106 1.169 1.00 74.35 C ATOM 782 O LYS A 55 -10.221 -4.364 0.342 1.00 31.03 O ATOM 783 CB LYS A 55 -10.419 -3.265 3.186 1.00 61.32 C ATOM 784 CG LYS A 55 -10.557 -2.170 4.233 1.00 20.15 C ATOM 785 CD LYS A 55 -11.622 -2.478 5.288 1.00 31.10 C ATOM 786 CE LYS A 55 -13.060 -2.402 4.730 1.00 55.21 C ATOM 787 NZ LYS A 55 -14.050 -2.593 5.797 1.00 64.21 N ATOM 0 H LYS A 55 -10.888 -1.425 1.508 1.00 12.24 H new ATOM 0 HA LYS A 55 -8.514 -2.574 2.439 1.00 73.22 H new ATOM 0 HB2 LYS A 55 -11.404 -3.496 2.780 1.00 61.32 H new ATOM 0 HB3 LYS A 55 -10.051 -4.172 3.665 1.00 61.32 H new ATOM 0 HG2 LYS A 55 -9.596 -2.025 4.727 1.00 20.15 H new ATOM 0 HG3 LYS A 55 -10.806 -1.231 3.738 1.00 20.15 H new ATOM 0 HD2 LYS A 55 -11.447 -3.475 5.693 1.00 31.10 H new ATOM 0 HD3 LYS A 55 -11.521 -1.775 6.115 1.00 31.10 H new ATOM 0 HE2 LYS A 55 -13.218 -1.435 4.252 1.00 55.21 H new ATOM 0 HE3 LYS A 55 -13.196 -3.163 3.962 1.00 55.21 H new ATOM 0 HZ1 LYS A 55 -15.008 -2.537 5.396 1.00 64.21 H new ATOM 0 HZ2 LYS A 55 -13.912 -3.526 6.236 1.00 64.21 H new ATOM 0 HZ3 LYS A 55 -13.932 -1.851 6.516 1.00 64.21 H new ATOM 801 N GLY A 56 -8.352 -4.917 1.404 1.00 4.54 N ATOM 802 CA GLY A 56 -8.246 -6.197 0.738 1.00 21.23 C ATOM 803 C GLY A 56 -7.277 -6.072 -0.374 1.00 72.23 C ATOM 804 O GLY A 56 -6.546 -7.018 -0.652 1.00 32.44 O ATOM 0 H GLY A 56 -7.590 -4.709 2.050 1.00 4.54 H new ATOM 0 HA2 GLY A 56 -7.919 -6.963 1.441 1.00 21.23 H new ATOM 0 HA3 GLY A 56 -9.219 -6.508 0.358 1.00 21.23 H new ATOM 808 N ASP A 57 -7.206 -4.876 -1.025 1.00 14.40 N ATOM 809 CA ASP A 57 -6.194 -4.647 -2.058 1.00 24.43 C ATOM 810 C ASP A 57 -4.884 -4.595 -1.337 1.00 73.44 C ATOM 811 O ASP A 57 -4.843 -4.390 -0.117 1.00 20.30 O ATOM 812 CB ASP A 57 -6.359 -3.331 -2.897 1.00 30.32 C ATOM 813 CG ASP A 57 -7.510 -3.482 -3.906 1.00 61.32 C ATOM 814 OD1 ASP A 57 -8.111 -4.584 -4.004 1.00 13.01 O ATOM 815 OD2 ASP A 57 -7.824 -2.492 -4.621 1.00 52.15 O ATOM 0 H ASP A 57 -7.826 -4.085 -0.849 1.00 14.40 H new ATOM 0 HA ASP A 57 -6.283 -5.450 -2.789 1.00 24.43 H new ATOM 0 HB2 ASP A 57 -6.557 -2.490 -2.232 1.00 30.32 H new ATOM 0 HB3 ASP A 57 -5.431 -3.109 -3.424 1.00 30.32 H new ATOM 820 N ARG A 58 -3.798 -4.876 -2.044 1.00 21.03 N ATOM 821 CA ARG A 58 -2.557 -5.089 -1.388 1.00 22.21 C ATOM 822 C ARG A 58 -1.521 -4.303 -2.100 1.00 52.25 C ATOM 823 O ARG A 58 -1.695 -3.938 -3.240 1.00 73.23 O ATOM 824 CB ARG A 58 -2.165 -6.573 -1.393 1.00 43.51 C ATOM 825 CG ARG A 58 -2.114 -7.185 -2.788 1.00 71.02 C ATOM 826 CD ARG A 58 -2.026 -8.701 -2.786 1.00 12.21 C ATOM 827 NE ARG A 58 -3.352 -9.255 -2.316 1.00 11.23 N ATOM 828 CZ ARG A 58 -4.175 -10.017 -3.152 1.00 72.01 C ATOM 829 NH1 ARG A 58 -3.876 -10.198 -4.467 1.00 54.11 N ATOM 830 NH2 ARG A 58 -5.293 -10.590 -2.649 1.00 11.14 N ATOM 0 H ARG A 58 -3.771 -4.957 -3.060 1.00 21.03 H new ATOM 0 HA ARG A 58 -2.645 -4.774 -0.348 1.00 22.21 H new ATOM 0 HB2 ARG A 58 -1.189 -6.684 -0.920 1.00 43.51 H new ATOM 0 HB3 ARG A 58 -2.878 -7.131 -0.786 1.00 43.51 H new ATOM 0 HG2 ARG A 58 -3.003 -6.882 -3.341 1.00 71.02 H new ATOM 0 HG3 ARG A 58 -1.254 -6.781 -3.321 1.00 71.02 H new ATOM 0 HD2 ARG A 58 -1.794 -9.069 -3.786 1.00 12.21 H new ATOM 0 HD3 ARG A 58 -1.222 -9.033 -2.130 1.00 12.21 H new ATOM 0 HE ARG A 58 -3.656 -9.067 -1.360 1.00 11.23 H new ATOM 0 HH11 ARG A 58 -3.037 -9.774 -4.862 1.00 54.11 H new ATOM 0 HH12 ARG A 58 -4.491 -10.758 -5.057 1.00 54.11 H new ATOM 0 HH21 ARG A 58 -5.532 -10.465 -1.665 1.00 11.14 H new ATOM 0 HH22 ARG A 58 -5.897 -11.147 -3.254 1.00 11.14 H new ATOM 844 N VAL A 59 -0.423 -4.007 -1.396 1.00 1.54 N ATOM 845 CA VAL A 59 0.641 -3.212 -1.916 1.00 52.54 C ATOM 846 C VAL A 59 1.661 -4.178 -2.456 1.00 34.42 C ATOM 847 O VAL A 59 1.973 -5.199 -1.820 1.00 12.01 O ATOM 848 CB VAL A 59 1.299 -2.328 -0.845 1.00 35.13 C ATOM 849 CG1 VAL A 59 2.320 -1.385 -1.520 1.00 24.03 C ATOM 850 CG2 VAL A 59 0.177 -1.558 -0.100 1.00 44.24 C ATOM 0 H VAL A 59 -0.268 -4.327 -0.440 1.00 1.54 H new ATOM 0 HA VAL A 59 0.251 -2.536 -2.677 1.00 52.54 H new ATOM 0 HB VAL A 59 1.848 -2.922 -0.114 1.00 35.13 H new ATOM 0 HG11 VAL A 59 2.789 -0.756 -0.764 1.00 24.03 H new ATOM 0 HG12 VAL A 59 3.084 -1.977 -2.025 1.00 24.03 H new ATOM 0 HG13 VAL A 59 1.808 -0.756 -2.248 1.00 24.03 H new ATOM 0 HG21 VAL A 59 0.619 -0.922 0.667 1.00 44.24 H new ATOM 0 HG22 VAL A 59 -0.374 -0.941 -0.810 1.00 44.24 H new ATOM 0 HG23 VAL A 59 -0.504 -2.269 0.367 1.00 44.24 H new ATOM 860 N LEU A 60 2.171 -3.882 -3.655 1.00 44.12 N ATOM 861 CA LEU A 60 3.185 -4.700 -4.281 1.00 74.21 C ATOM 862 C LEU A 60 4.488 -4.025 -4.036 1.00 24.40 C ATOM 863 O LEU A 60 5.394 -4.609 -3.478 1.00 12.31 O ATOM 864 CB LEU A 60 3.025 -4.768 -5.816 1.00 14.51 C ATOM 865 CG LEU A 60 1.855 -5.632 -6.291 1.00 13.21 C ATOM 866 CD1 LEU A 60 1.356 -5.174 -7.639 1.00 65.04 C ATOM 867 CD2 LEU A 60 2.182 -7.137 -6.297 1.00 50.21 C ATOM 0 H LEU A 60 1.888 -3.072 -4.207 1.00 44.12 H new ATOM 0 HA LEU A 60 3.112 -5.708 -3.872 1.00 74.21 H new ATOM 0 HB2 LEU A 60 2.894 -3.757 -6.201 1.00 14.51 H new ATOM 0 HB3 LEU A 60 3.947 -5.156 -6.249 1.00 14.51 H new ATOM 0 HG LEU A 60 1.054 -5.497 -5.564 1.00 13.21 H new ATOM 0 HD11 LEU A 60 0.525 -5.805 -7.953 1.00 65.04 H new ATOM 0 HD12 LEU A 60 1.020 -4.139 -7.570 1.00 65.04 H new ATOM 0 HD13 LEU A 60 2.162 -5.246 -8.369 1.00 65.04 H new ATOM 0 HD21 LEU A 60 1.313 -7.697 -6.643 1.00 50.21 H new ATOM 0 HD22 LEU A 60 3.023 -7.324 -6.964 1.00 50.21 H new ATOM 0 HD23 LEU A 60 2.441 -7.457 -5.288 1.00 50.21 H new ATOM 879 N ALA A 61 4.621 -2.767 -4.492 1.00 5.12 N ATOM 880 CA ALA A 61 5.874 -2.066 -4.357 1.00 62.33 C ATOM 881 C ALA A 61 5.528 -0.717 -3.866 1.00 14.54 C ATOM 882 O ALA A 61 4.463 -0.204 -4.182 1.00 1.52 O ATOM 883 CB ALA A 61 6.621 -1.885 -5.700 1.00 32.34 C ATOM 0 H ALA A 61 3.879 -2.236 -4.948 1.00 5.12 H new ATOM 0 HA ALA A 61 6.526 -2.638 -3.696 1.00 62.33 H new ATOM 0 HB1 ALA A 61 7.555 -1.350 -5.528 1.00 32.34 H new ATOM 0 HB2 ALA A 61 6.837 -2.863 -6.131 1.00 32.34 H new ATOM 0 HB3 ALA A 61 5.998 -1.314 -6.389 1.00 32.34 H new ATOM 889 N VAL A 62 6.435 -0.096 -3.095 1.00 42.15 N ATOM 890 CA VAL A 62 6.214 1.246 -2.628 1.00 3.11 C ATOM 891 C VAL A 62 7.278 2.056 -3.266 1.00 64.14 C ATOM 892 O VAL A 62 8.449 1.786 -3.100 1.00 61.33 O ATOM 893 CB VAL A 62 6.317 1.418 -1.118 1.00 45.02 C ATOM 894 CG1 VAL A 62 6.147 2.918 -0.768 1.00 75.23 C ATOM 895 CG2 VAL A 62 5.248 0.526 -0.465 1.00 24.21 C ATOM 0 H VAL A 62 7.316 -0.513 -2.794 1.00 42.15 H new ATOM 0 HA VAL A 62 5.197 1.542 -2.884 1.00 3.11 H new ATOM 0 HB VAL A 62 7.291 1.111 -0.737 1.00 45.02 H new ATOM 0 HG11 VAL A 62 6.219 3.050 0.312 1.00 75.23 H new ATOM 0 HG12 VAL A 62 6.930 3.497 -1.258 1.00 75.23 H new ATOM 0 HG13 VAL A 62 5.172 3.263 -1.111 1.00 75.23 H new ATOM 0 HG21 VAL A 62 5.300 0.630 0.619 1.00 24.21 H new ATOM 0 HG22 VAL A 62 4.260 0.829 -0.812 1.00 24.21 H new ATOM 0 HG23 VAL A 62 5.425 -0.514 -0.738 1.00 24.21 H new ATOM 905 N ASN A 63 6.859 3.070 -4.037 1.00 50.14 N ATOM 906 CA ASN A 63 7.767 3.995 -4.718 1.00 41.32 C ATOM 907 C ASN A 63 8.714 3.206 -5.605 1.00 32.54 C ATOM 908 O ASN A 63 9.852 3.584 -5.815 1.00 10.23 O ATOM 909 CB ASN A 63 8.564 4.923 -3.746 1.00 52.15 C ATOM 910 CG ASN A 63 9.114 6.122 -4.528 1.00 43.13 C ATOM 911 OD1 ASN A 63 8.407 6.716 -5.346 1.00 41.35 O ATOM 912 ND2 ASN A 63 10.383 6.499 -4.268 1.00 32.34 N ATOM 0 H ASN A 63 5.873 3.270 -4.205 1.00 50.14 H new ATOM 0 HA ASN A 63 7.152 4.663 -5.321 1.00 41.32 H new ATOM 0 HB2 ASN A 63 7.916 5.266 -2.939 1.00 52.15 H new ATOM 0 HB3 ASN A 63 9.381 4.369 -3.284 1.00 52.15 H new ATOM 0 HD21 ASN A 63 10.787 7.299 -4.755 1.00 32.34 H new ATOM 0 HD22 ASN A 63 10.938 5.984 -3.585 1.00 32.34 H new ATOM 919 N GLY A 64 8.216 2.080 -6.160 1.00 55.12 N ATOM 920 CA GLY A 64 8.957 1.312 -7.128 1.00 53.15 C ATOM 921 C GLY A 64 9.833 0.342 -6.427 1.00 61.02 C ATOM 922 O GLY A 64 10.490 -0.464 -7.064 1.00 1.52 O ATOM 0 H GLY A 64 7.296 1.698 -5.939 1.00 55.12 H new ATOM 0 HA2 GLY A 64 8.271 0.785 -7.791 1.00 53.15 H new ATOM 0 HA3 GLY A 64 9.557 1.975 -7.751 1.00 53.15 H new ATOM 926 N VAL A 65 9.892 0.402 -5.101 1.00 20.31 N ATOM 927 CA VAL A 65 10.788 -0.388 -4.380 1.00 4.24 C ATOM 928 C VAL A 65 10.037 -1.634 -3.953 1.00 32.54 C ATOM 929 O VAL A 65 8.923 -1.549 -3.415 1.00 50.45 O ATOM 930 CB VAL A 65 11.271 0.363 -3.157 1.00 43.12 C ATOM 931 CG1 VAL A 65 12.175 -0.524 -2.368 1.00 35.10 C ATOM 932 CG2 VAL A 65 11.959 1.664 -3.631 1.00 74.42 C ATOM 0 H VAL A 65 9.306 1.010 -4.529 1.00 20.31 H new ATOM 0 HA VAL A 65 11.656 -0.643 -4.987 1.00 4.24 H new ATOM 0 HB VAL A 65 10.448 0.643 -2.499 1.00 43.12 H new ATOM 0 HG11 VAL A 65 12.528 0.009 -1.485 1.00 35.10 H new ATOM 0 HG12 VAL A 65 11.631 -1.417 -2.060 1.00 35.10 H new ATOM 0 HG13 VAL A 65 13.028 -0.813 -2.982 1.00 35.10 H new ATOM 0 HG21 VAL A 65 12.316 2.223 -2.766 1.00 74.42 H new ATOM 0 HG22 VAL A 65 12.802 1.416 -4.276 1.00 74.42 H new ATOM 0 HG23 VAL A 65 11.245 2.272 -4.186 1.00 74.42 H new ATOM 942 N SER A 66 10.659 -2.821 -4.221 1.00 53.20 N ATOM 943 CA SER A 66 10.133 -4.127 -3.821 1.00 65.22 C ATOM 944 C SER A 66 9.707 -4.105 -2.365 1.00 4.11 C ATOM 945 O SER A 66 10.273 -3.382 -1.532 1.00 13.55 O ATOM 946 CB SER A 66 11.145 -5.273 -4.002 1.00 65.51 C ATOM 947 OG SER A 66 11.629 -5.304 -5.352 1.00 33.21 O ATOM 0 H SER A 66 11.544 -2.879 -4.725 1.00 53.20 H new ATOM 0 HA SER A 66 9.283 -4.314 -4.478 1.00 65.22 H new ATOM 0 HB2 SER A 66 11.979 -5.142 -3.313 1.00 65.51 H new ATOM 0 HB3 SER A 66 10.674 -6.225 -3.756 1.00 65.51 H new ATOM 0 HG SER A 66 12.273 -6.036 -5.452 1.00 33.21 H new ATOM 953 N LEU A 67 8.662 -4.881 -2.043 1.00 22.33 N ATOM 954 CA LEU A 67 8.035 -4.735 -0.748 1.00 1.15 C ATOM 955 C LEU A 67 7.567 -6.075 -0.350 1.00 34.13 C ATOM 956 O LEU A 67 7.460 -6.384 0.798 1.00 15.44 O ATOM 957 CB LEU A 67 6.822 -3.774 -0.793 1.00 13.42 C ATOM 958 CG LEU A 67 6.549 -2.982 0.503 1.00 21.43 C ATOM 959 CD1 LEU A 67 5.865 -3.806 1.592 1.00 20.12 C ATOM 960 CD2 LEU A 67 7.783 -2.201 1.004 1.00 41.31 C ATOM 0 H LEU A 67 8.252 -5.592 -2.649 1.00 22.33 H new ATOM 0 HA LEU A 67 8.753 -4.316 -0.043 1.00 1.15 H new ATOM 0 HB2 LEU A 67 6.974 -3.064 -1.606 1.00 13.42 H new ATOM 0 HB3 LEU A 67 5.932 -4.353 -1.038 1.00 13.42 H new ATOM 0 HG LEU A 67 5.816 -2.223 0.229 1.00 21.43 H new ATOM 0 HD11 LEU A 67 5.705 -3.184 2.473 1.00 20.12 H new ATOM 0 HD12 LEU A 67 4.905 -4.169 1.225 1.00 20.12 H new ATOM 0 HD13 LEU A 67 6.496 -4.654 1.857 1.00 20.12 H new ATOM 0 HD21 LEU A 67 7.528 -1.665 1.918 1.00 41.31 H new ATOM 0 HD22 LEU A 67 8.597 -2.897 1.207 1.00 41.31 H new ATOM 0 HD23 LEU A 67 8.097 -1.489 0.241 1.00 41.31 H new ATOM 972 N GLU A 68 7.321 -6.926 -1.328 1.00 4.21 N ATOM 973 CA GLU A 68 6.974 -8.292 -1.082 1.00 50.45 C ATOM 974 C GLU A 68 8.077 -8.931 -0.237 1.00 21.02 C ATOM 975 O GLU A 68 9.276 -8.806 -0.546 1.00 52.22 O ATOM 976 CB GLU A 68 6.770 -9.115 -2.397 1.00 62.31 C ATOM 977 CG GLU A 68 8.034 -9.292 -3.307 1.00 63.40 C ATOM 978 CD GLU A 68 8.388 -8.035 -4.088 1.00 41.30 C ATOM 979 OE1 GLU A 68 7.770 -6.979 -3.901 1.00 53.11 O ATOM 980 OE2 GLU A 68 9.318 -8.115 -4.920 1.00 63.04 O ATOM 0 H GLU A 68 7.359 -6.677 -2.316 1.00 4.21 H new ATOM 0 HA GLU A 68 6.020 -8.305 -0.555 1.00 50.45 H new ATOM 0 HB2 GLU A 68 6.401 -10.105 -2.128 1.00 62.31 H new ATOM 0 HB3 GLU A 68 5.989 -8.633 -2.985 1.00 62.31 H new ATOM 0 HG2 GLU A 68 8.883 -9.579 -2.687 1.00 63.40 H new ATOM 0 HG3 GLU A 68 7.859 -10.110 -4.006 1.00 63.40 H new ATOM 987 N GLY A 69 7.698 -9.555 0.894 1.00 74.22 N ATOM 988 CA GLY A 69 8.673 -10.193 1.757 1.00 24.21 C ATOM 989 C GLY A 69 9.205 -9.186 2.742 1.00 62.04 C ATOM 990 O GLY A 69 9.899 -9.557 3.699 1.00 20.05 O ATOM 0 H GLY A 69 6.733 -9.623 1.217 1.00 74.22 H new ATOM 0 HA2 GLY A 69 8.215 -11.029 2.286 1.00 24.21 H new ATOM 0 HA3 GLY A 69 9.489 -10.602 1.162 1.00 24.21 H new ATOM 994 N ALA A 70 8.911 -7.879 2.533 1.00 23.23 N ATOM 995 CA ALA A 70 9.341 -6.845 3.453 1.00 43.23 C ATOM 996 C ALA A 70 8.364 -6.868 4.565 1.00 45.22 C ATOM 997 O ALA A 70 7.276 -7.393 4.423 1.00 11.53 O ATOM 998 CB ALA A 70 9.368 -5.415 2.852 1.00 64.54 C ATOM 0 H ALA A 70 8.379 -7.536 1.733 1.00 23.23 H new ATOM 0 HA ALA A 70 10.368 -7.056 3.750 1.00 43.23 H new ATOM 0 HB1 ALA A 70 9.701 -4.708 3.611 1.00 64.54 H new ATOM 0 HB2 ALA A 70 10.054 -5.389 2.005 1.00 64.54 H new ATOM 0 HB3 ALA A 70 8.367 -5.142 2.517 1.00 64.54 H new ATOM 1004 N THR A 71 8.762 -6.370 5.720 1.00 41.34 N ATOM 1005 CA THR A 71 7.984 -6.578 6.892 1.00 63.41 C ATOM 1006 C THR A 71 6.934 -5.465 7.003 1.00 30.11 C ATOM 1007 O THR A 71 6.861 -4.572 6.167 1.00 35.11 O ATOM 1008 CB THR A 71 8.847 -6.646 8.154 1.00 5.42 C ATOM 1009 OG1 THR A 71 9.389 -5.360 8.483 1.00 3.31 O ATOM 1010 CG2 THR A 71 10.034 -7.613 7.888 1.00 13.04 C ATOM 0 H THR A 71 9.614 -5.826 5.856 1.00 41.34 H new ATOM 0 HA THR A 71 7.486 -7.544 6.807 1.00 63.41 H new ATOM 0 HB THR A 71 8.224 -6.990 8.980 1.00 5.42 H new ATOM 0 HG1 THR A 71 9.934 -5.433 9.294 1.00 3.31 H new ATOM 0 HG21 THR A 71 10.660 -7.674 8.778 1.00 13.04 H new ATOM 0 HG22 THR A 71 9.649 -8.604 7.647 1.00 13.04 H new ATOM 0 HG23 THR A 71 10.626 -7.241 7.052 1.00 13.04 H new ATOM 1018 N HIS A 72 6.118 -5.546 8.067 1.00 44.23 N ATOM 1019 CA HIS A 72 5.101 -4.559 8.405 1.00 72.12 C ATOM 1020 C HIS A 72 5.805 -3.242 8.655 1.00 61.52 C ATOM 1021 O HIS A 72 5.447 -2.233 8.072 1.00 33.33 O ATOM 1022 CB HIS A 72 4.332 -4.966 9.699 1.00 44.03 C ATOM 1023 CG HIS A 72 3.145 -4.107 10.076 1.00 10.14 C ATOM 1024 ND1 HIS A 72 3.259 -2.812 10.516 1.00 42.41 N ATOM 1025 CD2 HIS A 72 1.846 -4.454 10.208 1.00 2.34 C ATOM 1026 CE1 HIS A 72 2.061 -2.395 10.898 1.00 2.34 C ATOM 1027 NE2 HIS A 72 1.189 -3.381 10.729 1.00 13.14 N ATOM 0 H HIS A 72 6.155 -6.323 8.727 1.00 44.23 H new ATOM 0 HA HIS A 72 4.384 -4.485 7.588 1.00 72.12 H new ATOM 0 HB2 HIS A 72 3.987 -5.993 9.582 1.00 44.03 H new ATOM 0 HB3 HIS A 72 5.036 -4.959 10.531 1.00 44.03 H new ATOM 0 HD2 HIS A 72 1.409 -5.407 9.948 1.00 2.34 H new ATOM 0 HE1 HIS A 72 1.831 -1.413 11.284 1.00 2.34 H new ATOM 0 HE2 HIS A 72 0.194 -3.342 10.952 1.00 13.14 H new ATOM 1036 N LYS A 73 6.858 -3.245 9.534 1.00 32.42 N ATOM 1037 CA LYS A 73 7.663 -2.036 9.800 1.00 74.14 C ATOM 1038 C LYS A 73 8.180 -1.465 8.498 1.00 14.42 C ATOM 1039 O LYS A 73 7.950 -0.315 8.198 1.00 32.24 O ATOM 1040 CB LYS A 73 8.894 -2.303 10.708 1.00 3.31 C ATOM 1041 CG LYS A 73 8.526 -2.710 12.148 1.00 61.20 C ATOM 1042 CD LYS A 73 9.746 -2.993 13.048 1.00 11.01 C ATOM 1043 CE LYS A 73 10.718 -1.803 13.173 1.00 10.45 C ATOM 1044 NZ LYS A 73 11.869 -2.153 14.022 1.00 74.21 N ATOM 0 H LYS A 73 7.155 -4.068 10.058 1.00 32.42 H new ATOM 0 HA LYS A 73 6.997 -1.343 10.315 1.00 74.14 H new ATOM 0 HB2 LYS A 73 9.500 -3.091 10.261 1.00 3.31 H new ATOM 0 HB3 LYS A 73 9.512 -1.406 10.740 1.00 3.31 H new ATOM 0 HG2 LYS A 73 7.931 -1.916 12.599 1.00 61.20 H new ATOM 0 HG3 LYS A 73 7.897 -3.600 12.114 1.00 61.20 H new ATOM 0 HD2 LYS A 73 9.396 -3.269 14.042 1.00 11.01 H new ATOM 0 HD3 LYS A 73 10.287 -3.852 12.651 1.00 11.01 H new ATOM 0 HE2 LYS A 73 11.067 -1.508 12.184 1.00 10.45 H new ATOM 0 HE3 LYS A 73 10.196 -0.945 13.596 1.00 10.45 H new ATOM 0 HZ1 LYS A 73 12.510 -1.337 14.092 1.00 74.21 H new ATOM 0 HZ2 LYS A 73 11.534 -2.412 14.972 1.00 74.21 H new ATOM 0 HZ3 LYS A 73 12.378 -2.958 13.603 1.00 74.21 H new ATOM 1058 N GLN A 74 8.898 -2.283 7.705 1.00 43.11 N ATOM 1059 CA GLN A 74 9.476 -1.828 6.449 1.00 51.12 C ATOM 1060 C GLN A 74 8.402 -1.262 5.541 1.00 60.41 C ATOM 1061 O GLN A 74 8.605 -0.225 4.911 1.00 31.31 O ATOM 1062 CB GLN A 74 10.176 -2.962 5.723 1.00 21.41 C ATOM 1063 CG GLN A 74 11.308 -3.562 6.559 1.00 24.34 C ATOM 1064 CD GLN A 74 12.408 -2.525 6.680 1.00 21.31 C ATOM 1065 OE1 GLN A 74 12.666 -1.997 7.765 1.00 44.11 O ATOM 1066 NE2 GLN A 74 13.061 -2.209 5.556 1.00 24.15 N ATOM 0 H GLN A 74 9.086 -3.262 7.922 1.00 43.11 H new ATOM 0 HA GLN A 74 10.203 -1.053 6.691 1.00 51.12 H new ATOM 0 HB2 GLN A 74 9.452 -3.740 5.481 1.00 21.41 H new ATOM 0 HB3 GLN A 74 10.577 -2.595 4.778 1.00 21.41 H new ATOM 0 HG2 GLN A 74 10.943 -3.846 7.546 1.00 24.34 H new ATOM 0 HG3 GLN A 74 11.690 -4.468 6.088 1.00 24.34 H new ATOM 0 HE21 GLN A 74 12.818 -2.669 4.678 1.00 24.15 H new ATOM 0 HE22 GLN A 74 13.802 -1.509 5.577 1.00 24.15 H new ATOM 1075 N ALA A 75 7.240 -1.942 5.475 1.00 4.52 N ATOM 1076 CA ALA A 75 6.108 -1.500 4.664 1.00 10.35 C ATOM 1077 C ALA A 75 5.784 -0.066 4.960 1.00 72.44 C ATOM 1078 O ALA A 75 5.749 0.778 4.057 1.00 34.41 O ATOM 1079 CB ALA A 75 4.832 -2.303 4.929 1.00 33.55 C ATOM 0 H ALA A 75 7.069 -2.809 5.984 1.00 4.52 H new ATOM 0 HA ALA A 75 6.416 -1.644 3.628 1.00 10.35 H new ATOM 0 HB1 ALA A 75 4.028 -1.927 4.297 1.00 33.55 H new ATOM 0 HB2 ALA A 75 5.010 -3.354 4.703 1.00 33.55 H new ATOM 0 HB3 ALA A 75 4.548 -2.200 5.976 1.00 33.55 H new ATOM 1085 N VAL A 76 5.534 0.239 6.240 1.00 32.03 N ATOM 1086 CA VAL A 76 5.085 1.552 6.605 1.00 42.00 C ATOM 1087 C VAL A 76 6.257 2.516 6.528 1.00 13.50 C ATOM 1088 O VAL A 76 6.079 3.661 6.148 1.00 5.54 O ATOM 1089 CB VAL A 76 4.398 1.621 7.966 1.00 44.22 C ATOM 1090 CG1 VAL A 76 3.078 0.828 7.866 1.00 52.22 C ATOM 1091 CG2 VAL A 76 5.331 1.079 9.067 1.00 1.01 C ATOM 0 H VAL A 76 5.639 -0.411 7.019 1.00 32.03 H new ATOM 0 HA VAL A 76 4.313 1.839 5.891 1.00 42.00 H new ATOM 0 HB VAL A 76 4.172 2.651 8.240 1.00 44.22 H new ATOM 0 HG11 VAL A 76 2.562 0.858 8.826 1.00 52.22 H new ATOM 0 HG12 VAL A 76 2.444 1.272 7.099 1.00 52.22 H new ATOM 0 HG13 VAL A 76 3.295 -0.207 7.603 1.00 52.22 H new ATOM 0 HG21 VAL A 76 4.826 1.135 10.032 1.00 1.01 H new ATOM 0 HG22 VAL A 76 5.585 0.041 8.850 1.00 1.01 H new ATOM 0 HG23 VAL A 76 6.242 1.677 9.099 1.00 1.01 H new ATOM 1101 N CYS A 77 7.504 2.049 6.905 1.00 1.22 N ATOM 1102 CA CYS A 77 8.658 3.019 6.969 1.00 72.34 C ATOM 1103 C CYS A 77 8.856 3.541 5.533 1.00 23.32 C ATOM 1104 O CYS A 77 9.382 4.586 5.282 1.00 21.31 O ATOM 1105 CB CYS A 77 9.990 2.325 7.422 1.00 33.13 C ATOM 1106 SG CYS A 77 11.422 3.476 7.557 1.00 5.14 S ATOM 0 H CYS A 77 7.723 1.084 7.151 1.00 1.22 H new ATOM 0 HA CYS A 77 8.434 3.805 7.691 1.00 72.34 H new ATOM 0 HB2 CYS A 77 9.829 1.846 8.388 1.00 33.13 H new ATOM 0 HB3 CYS A 77 10.237 1.535 6.712 1.00 33.13 H new ATOM 1111 N THR A 78 8.613 2.648 4.543 1.00 10.45 N ATOM 1112 CA THR A 78 8.866 2.996 3.168 1.00 31.20 C ATOM 1113 C THR A 78 7.814 3.984 2.745 1.00 74.13 C ATOM 1114 O THR A 78 8.129 4.987 2.165 1.00 21.11 O ATOM 1115 CB THR A 78 8.850 1.793 2.240 1.00 21.44 C ATOM 1116 OG1 THR A 78 9.737 0.786 2.751 1.00 2.34 O ATOM 1117 CG2 THR A 78 9.345 2.239 0.840 1.00 71.31 C ATOM 0 H THR A 78 8.250 1.706 4.689 1.00 10.45 H new ATOM 0 HA THR A 78 9.867 3.421 3.098 1.00 31.20 H new ATOM 0 HB THR A 78 7.840 1.390 2.172 1.00 21.44 H new ATOM 0 HG1 THR A 78 9.397 0.455 3.608 1.00 2.34 H new ATOM 0 HG21 THR A 78 9.339 1.385 0.163 1.00 71.31 H new ATOM 0 HG22 THR A 78 8.686 3.015 0.451 1.00 71.31 H new ATOM 0 HG23 THR A 78 10.359 2.631 0.920 1.00 71.31 H new ATOM 1125 N LEU A 79 6.533 3.700 3.089 1.00 21.51 N ATOM 1126 CA LEU A 79 5.408 4.584 2.758 1.00 70.04 C ATOM 1127 C LEU A 79 5.603 5.931 3.424 1.00 62.12 C ATOM 1128 O LEU A 79 5.131 6.942 2.928 1.00 5.50 O ATOM 1129 CB LEU A 79 4.041 4.025 3.222 1.00 13.24 C ATOM 1130 CG LEU A 79 3.542 2.838 2.376 1.00 34.45 C ATOM 1131 CD1 LEU A 79 2.420 2.045 3.075 1.00 34.11 C ATOM 1132 CD2 LEU A 79 3.144 3.273 0.945 1.00 12.32 C ATOM 0 H LEU A 79 6.262 2.859 3.598 1.00 21.51 H new ATOM 0 HA LEU A 79 5.395 4.667 1.671 1.00 70.04 H new ATOM 0 HB2 LEU A 79 4.120 3.711 4.263 1.00 13.24 H new ATOM 0 HB3 LEU A 79 3.300 4.823 3.186 1.00 13.24 H new ATOM 0 HG LEU A 79 4.384 2.154 2.277 1.00 34.45 H new ATOM 0 HD11 LEU A 79 2.105 1.220 2.436 1.00 34.11 H new ATOM 0 HD12 LEU A 79 2.789 1.650 4.022 1.00 34.11 H new ATOM 0 HD13 LEU A 79 1.572 2.703 3.262 1.00 34.11 H new ATOM 0 HD21 LEU A 79 2.798 2.405 0.384 1.00 12.32 H new ATOM 0 HD22 LEU A 79 2.345 4.012 0.998 1.00 12.32 H new ATOM 0 HD23 LEU A 79 4.008 3.709 0.444 1.00 12.32 H new ATOM 1144 N ARG A 80 6.280 5.949 4.584 1.00 41.21 N ATOM 1145 CA ARG A 80 6.566 7.186 5.282 1.00 53.41 C ATOM 1146 C ARG A 80 7.605 7.915 4.460 1.00 12.01 C ATOM 1147 O ARG A 80 7.362 9.036 3.993 1.00 31.51 O ATOM 1148 CB ARG A 80 7.115 6.918 6.728 1.00 13.32 C ATOM 1149 CG ARG A 80 6.965 8.073 7.763 1.00 45.35 C ATOM 1150 CD ARG A 80 8.168 9.033 7.888 1.00 54.41 C ATOM 1151 NE ARG A 80 8.222 9.919 6.684 1.00 52.02 N ATOM 1152 CZ ARG A 80 9.402 10.514 6.287 1.00 4.55 C ATOM 1153 NH1 ARG A 80 10.529 10.415 7.058 1.00 25.03 N ATOM 1154 NH2 ARG A 80 9.438 11.205 5.126 1.00 51.22 N ATOM 0 H ARG A 80 6.634 5.113 5.048 1.00 41.21 H new ATOM 0 HA ARG A 80 5.655 7.774 5.395 1.00 53.41 H new ATOM 0 HB2 ARG A 80 6.609 6.038 7.126 1.00 13.32 H new ATOM 0 HB3 ARG A 80 8.173 6.669 6.649 1.00 13.32 H new ATOM 0 HG2 ARG A 80 6.085 8.659 7.498 1.00 45.35 H new ATOM 0 HG3 ARG A 80 6.773 7.634 8.742 1.00 45.35 H new ATOM 0 HD2 ARG A 80 8.075 9.635 8.792 1.00 54.41 H new ATOM 0 HD3 ARG A 80 9.094 8.464 7.977 1.00 54.41 H new ATOM 0 HE ARG A 80 7.371 10.086 6.147 1.00 52.02 H new ATOM 0 HH11 ARG A 80 10.502 9.897 7.936 1.00 25.03 H new ATOM 0 HH12 ARG A 80 11.395 10.859 6.754 1.00 25.03 H new ATOM 0 HH21 ARG A 80 8.598 11.283 4.553 1.00 51.22 H new ATOM 0 HH22 ARG A 80 10.305 11.649 4.823 1.00 51.22 H new ATOM 1168 N ASN A 81 8.786 7.260 4.274 1.00 44.34 N ATOM 1169 CA ASN A 81 9.957 7.821 3.536 1.00 64.23 C ATOM 1170 C ASN A 81 9.678 7.976 2.042 1.00 42.22 C ATOM 1171 O ASN A 81 10.570 7.763 1.224 1.00 23.33 O ATOM 1172 CB ASN A 81 11.235 6.927 3.635 1.00 60.42 C ATOM 1173 CG ASN A 81 11.692 6.829 5.086 1.00 32.31 C ATOM 1174 OD1 ASN A 81 11.189 7.527 5.964 1.00 62.24 O ATOM 1175 ND2 ASN A 81 12.675 5.947 5.351 1.00 45.10 N ATOM 0 H ASN A 81 8.954 6.321 4.635 1.00 44.34 H new ATOM 0 HA ASN A 81 10.127 8.785 4.015 1.00 64.23 H new ATOM 0 HB2 ASN A 81 11.024 5.932 3.244 1.00 60.42 H new ATOM 0 HB3 ASN A 81 12.032 7.348 3.022 1.00 60.42 H new ATOM 0 HD21 ASN A 81 13.024 5.843 6.304 1.00 45.10 H new ATOM 0 HD22 ASN A 81 13.071 5.383 4.599 1.00 45.10 H new ATOM 1182 N THR A 82 8.485 8.390 1.667 1.00 3.15 N ATOM 1183 CA THR A 82 8.186 8.738 0.306 1.00 40.31 C ATOM 1184 C THR A 82 8.204 10.250 0.244 1.00 52.31 C ATOM 1185 O THR A 82 8.547 10.930 1.231 1.00 2.23 O ATOM 1186 CB THR A 82 6.836 8.228 -0.144 1.00 2.25 C ATOM 1187 OG1 THR A 82 5.850 8.550 0.832 1.00 21.34 O ATOM 1188 CG2 THR A 82 6.944 6.708 -0.278 1.00 11.23 C ATOM 0 H THR A 82 7.697 8.493 2.306 1.00 3.15 H new ATOM 0 HA THR A 82 8.920 8.281 -0.358 1.00 40.31 H new ATOM 0 HB THR A 82 6.549 8.683 -1.092 1.00 2.25 H new ATOM 0 HG1 THR A 82 5.774 7.815 1.475 1.00 21.34 H new ATOM 0 HG21 THR A 82 5.986 6.302 -0.602 1.00 11.23 H new ATOM 0 HG22 THR A 82 7.710 6.461 -1.013 1.00 11.23 H new ATOM 0 HG23 THR A 82 7.213 6.276 0.686 1.00 11.23 H new ATOM 1196 N GLY A 83 7.850 10.804 -0.924 1.00 71.04 N ATOM 1197 CA GLY A 83 7.833 12.230 -1.099 1.00 54.24 C ATOM 1198 C GLY A 83 6.442 12.713 -0.785 1.00 74.32 C ATOM 1199 O GLY A 83 5.725 12.124 0.043 1.00 11.24 O ATOM 0 H GLY A 83 7.575 10.272 -1.750 1.00 71.04 H new ATOM 0 HA2 GLY A 83 8.560 12.705 -0.441 1.00 54.24 H new ATOM 0 HA3 GLY A 83 8.108 12.493 -2.120 1.00 54.24 H new ATOM 1203 N GLN A 84 6.050 13.835 -1.443 1.00 25.13 N ATOM 1204 CA GLN A 84 4.770 14.466 -1.209 1.00 30.25 C ATOM 1205 C GLN A 84 3.674 13.525 -1.667 1.00 31.54 C ATOM 1206 O GLN A 84 2.790 13.150 -0.879 1.00 74.25 O ATOM 1207 CB GLN A 84 4.626 15.792 -2.014 1.00 45.54 C ATOM 1208 CG GLN A 84 3.315 16.539 -1.735 1.00 72.32 C ATOM 1209 CD GLN A 84 3.207 17.737 -2.673 1.00 24.00 C ATOM 1210 OE1 GLN A 84 2.256 17.844 -3.456 1.00 52.24 O ATOM 1211 NE2 GLN A 84 4.180 18.658 -2.608 1.00 64.43 N ATOM 0 H GLN A 84 6.624 14.308 -2.141 1.00 25.13 H new ATOM 0 HA GLN A 84 4.695 14.690 -0.145 1.00 30.25 H new ATOM 0 HB2 GLN A 84 5.465 16.446 -1.775 1.00 45.54 H new ATOM 0 HB3 GLN A 84 4.688 15.570 -3.079 1.00 45.54 H new ATOM 0 HG2 GLN A 84 2.465 15.872 -1.880 1.00 72.32 H new ATOM 0 HG3 GLN A 84 3.286 16.871 -0.697 1.00 72.32 H new ATOM 0 HE21 GLN A 84 4.951 18.540 -1.951 1.00 64.43 H new ATOM 0 HE22 GLN A 84 4.149 19.477 -3.216 1.00 64.43 H new ATOM 1220 N VAL A 85 3.734 13.097 -2.939 1.00 43.14 N ATOM 1221 CA VAL A 85 2.778 12.172 -3.473 1.00 44.32 C ATOM 1222 C VAL A 85 3.496 10.867 -3.533 1.00 2.30 C ATOM 1223 O VAL A 85 4.732 10.832 -3.653 1.00 23.13 O ATOM 1224 CB VAL A 85 2.299 12.598 -4.868 1.00 42.15 C ATOM 1225 CG1 VAL A 85 1.399 11.519 -5.508 1.00 55.11 C ATOM 1226 CG2 VAL A 85 1.564 13.936 -4.691 1.00 22.34 C ATOM 0 H VAL A 85 4.449 13.392 -3.604 1.00 43.14 H new ATOM 0 HA VAL A 85 1.881 12.121 -2.855 1.00 44.32 H new ATOM 0 HB VAL A 85 3.140 12.717 -5.552 1.00 42.15 H new ATOM 0 HG11 VAL A 85 1.077 11.852 -6.495 1.00 55.11 H new ATOM 0 HG12 VAL A 85 1.959 10.588 -5.604 1.00 55.11 H new ATOM 0 HG13 VAL A 85 0.525 11.354 -4.878 1.00 55.11 H new ATOM 0 HG21 VAL A 85 1.202 14.283 -5.659 1.00 22.34 H new ATOM 0 HG22 VAL A 85 0.720 13.801 -4.015 1.00 22.34 H new ATOM 0 HG23 VAL A 85 2.248 14.675 -4.273 1.00 22.34 H new ATOM 1236 N VAL A 86 2.753 9.766 -3.378 1.00 51.12 N ATOM 1237 CA VAL A 86 3.328 8.463 -3.304 1.00 60.15 C ATOM 1238 C VAL A 86 2.917 7.754 -4.547 1.00 14.31 C ATOM 1239 O VAL A 86 1.777 7.881 -4.993 1.00 22.54 O ATOM 1240 CB VAL A 86 2.782 7.669 -2.117 1.00 14.14 C ATOM 1241 CG1 VAL A 86 3.508 6.305 -2.013 1.00 62.41 C ATOM 1242 CG2 VAL A 86 2.939 8.534 -0.865 1.00 43.34 C ATOM 0 H VAL A 86 1.736 9.777 -3.302 1.00 51.12 H new ATOM 0 HA VAL A 86 4.409 8.548 -3.189 1.00 60.15 H new ATOM 0 HB VAL A 86 1.724 7.437 -2.241 1.00 14.14 H new ATOM 0 HG11 VAL A 86 3.113 5.746 -1.165 1.00 62.41 H new ATOM 0 HG12 VAL A 86 3.347 5.736 -2.929 1.00 62.41 H new ATOM 0 HG13 VAL A 86 4.576 6.471 -1.872 1.00 62.41 H new ATOM 0 HG21 VAL A 86 2.557 7.993 0.001 1.00 43.34 H new ATOM 0 HG22 VAL A 86 3.993 8.765 -0.713 1.00 43.34 H new ATOM 0 HG23 VAL A 86 2.379 9.460 -0.990 1.00 43.34 H new ATOM 1252 N HIS A 87 3.836 6.972 -5.126 1.00 11.34 N ATOM 1253 CA HIS A 87 3.475 6.041 -6.152 1.00 53.13 C ATOM 1254 C HIS A 87 3.652 4.737 -5.513 1.00 62.33 C ATOM 1255 O HIS A 87 4.666 4.485 -4.885 1.00 44.51 O ATOM 1256 CB HIS A 87 4.383 6.040 -7.402 1.00 2.11 C ATOM 1257 CG HIS A 87 4.038 7.103 -8.390 1.00 13.25 C ATOM 1258 ND1 HIS A 87 3.703 6.813 -9.695 1.00 21.01 N ATOM 1259 CD2 HIS A 87 3.983 8.440 -8.244 1.00 21.33 C ATOM 1260 CE1 HIS A 87 3.449 7.957 -10.316 1.00 23.14 C ATOM 1261 NE2 HIS A 87 3.607 8.961 -9.444 1.00 62.01 N ATOM 0 H HIS A 87 4.828 6.980 -4.888 1.00 11.34 H new ATOM 0 HA HIS A 87 2.477 6.292 -6.510 1.00 53.13 H new ATOM 0 HB2 HIS A 87 5.419 6.169 -7.089 1.00 2.11 H new ATOM 0 HB3 HIS A 87 4.316 5.067 -7.889 1.00 2.11 H new ATOM 0 HD1 HIS A 87 3.658 5.882 -10.110 1.00 21.01 H new ATOM 0 HD2 HIS A 87 4.197 8.996 -7.343 1.00 21.33 H new ATOM 0 HE1 HIS A 87 3.163 8.061 -11.352 1.00 23.14 H new ATOM 1270 N LEU A 88 2.670 3.904 -5.627 1.00 35.21 N ATOM 1271 CA LEU A 88 2.772 2.599 -5.083 1.00 10.44 C ATOM 1272 C LEU A 88 1.880 1.749 -5.859 1.00 45.40 C ATOM 1273 O LEU A 88 0.753 2.126 -6.173 1.00 64.42 O ATOM 1274 CB LEU A 88 2.446 2.478 -3.557 1.00 13.25 C ATOM 1275 CG LEU A 88 0.988 2.807 -3.113 1.00 34.55 C ATOM 1276 CD1 LEU A 88 0.839 2.737 -1.596 1.00 23.11 C ATOM 1277 CD2 LEU A 88 0.448 4.132 -3.660 1.00 34.44 C ATOM 0 H LEU A 88 1.787 4.109 -6.094 1.00 35.21 H new ATOM 0 HA LEU A 88 3.817 2.295 -5.151 1.00 10.44 H new ATOM 0 HB2 LEU A 88 2.674 1.459 -3.242 1.00 13.25 H new ATOM 0 HB3 LEU A 88 3.122 3.138 -3.013 1.00 13.25 H new ATOM 0 HG LEU A 88 0.369 2.031 -3.563 1.00 34.55 H new ATOM 0 HD11 LEU A 88 -0.189 2.972 -1.320 1.00 23.11 H new ATOM 0 HD12 LEU A 88 1.087 1.733 -1.252 1.00 23.11 H new ATOM 0 HD13 LEU A 88 1.513 3.456 -1.131 1.00 23.11 H new ATOM 0 HD21 LEU A 88 -0.571 4.284 -3.304 1.00 34.44 H new ATOM 0 HD22 LEU A 88 1.079 4.952 -3.316 1.00 34.44 H new ATOM 0 HD23 LEU A 88 0.451 4.104 -4.750 1.00 34.44 H new ATOM 1289 N LEU A 89 2.391 0.603 -6.269 1.00 44.34 N ATOM 1290 CA LEU A 89 1.624 -0.327 -7.024 1.00 3.05 C ATOM 1291 C LEU A 89 0.797 -1.070 -6.068 1.00 23.10 C ATOM 1292 O LEU A 89 1.276 -1.523 -5.016 1.00 11.43 O ATOM 1293 CB LEU A 89 2.494 -1.385 -7.770 1.00 23.12 C ATOM 1294 CG LEU A 89 3.165 -0.881 -9.068 1.00 22.42 C ATOM 1295 CD1 LEU A 89 3.896 0.453 -8.893 1.00 42.32 C ATOM 1296 CD2 LEU A 89 4.052 -1.956 -9.722 1.00 21.45 C ATOM 0 H LEU A 89 3.348 0.306 -6.081 1.00 44.34 H new ATOM 0 HA LEU A 89 1.060 0.235 -7.769 1.00 3.05 H new ATOM 0 HB2 LEU A 89 3.270 -1.739 -7.091 1.00 23.12 H new ATOM 0 HB3 LEU A 89 1.867 -2.243 -8.012 1.00 23.12 H new ATOM 0 HG LEU A 89 2.351 -0.680 -9.764 1.00 22.42 H new ATOM 0 HD11 LEU A 89 4.344 0.749 -9.841 1.00 42.32 H new ATOM 0 HD12 LEU A 89 3.188 1.217 -8.572 1.00 42.32 H new ATOM 0 HD13 LEU A 89 4.677 0.344 -8.141 1.00 42.32 H new ATOM 0 HD21 LEU A 89 4.501 -1.554 -10.630 1.00 21.45 H new ATOM 0 HD22 LEU A 89 4.839 -2.250 -9.028 1.00 21.45 H new ATOM 0 HD23 LEU A 89 3.445 -2.826 -9.972 1.00 21.45 H new ATOM 1308 N LEU A 90 -0.442 -1.235 -6.441 1.00 74.51 N ATOM 1309 CA LEU A 90 -1.347 -2.042 -5.681 1.00 54.32 C ATOM 1310 C LEU A 90 -1.564 -3.241 -6.536 1.00 44.23 C ATOM 1311 O LEU A 90 -1.373 -3.173 -7.759 1.00 64.20 O ATOM 1312 CB LEU A 90 -2.766 -1.444 -5.411 1.00 41.11 C ATOM 1313 CG LEU A 90 -2.876 0.089 -5.196 1.00 71.11 C ATOM 1314 CD1 LEU A 90 -2.148 0.630 -3.968 1.00 74.14 C ATOM 1315 CD2 LEU A 90 -2.580 0.894 -6.457 1.00 41.15 C ATOM 0 H LEU A 90 -0.848 -0.815 -7.277 1.00 74.51 H new ATOM 0 HA LEU A 90 -0.903 -2.191 -4.697 1.00 54.32 H new ATOM 0 HB2 LEU A 90 -3.407 -1.711 -6.251 1.00 41.11 H new ATOM 0 HB3 LEU A 90 -3.175 -1.936 -4.528 1.00 41.11 H new ATOM 0 HG LEU A 90 -3.931 0.239 -4.967 1.00 71.11 H new ATOM 0 HD11 LEU A 90 -2.287 1.710 -3.909 1.00 74.14 H new ATOM 0 HD12 LEU A 90 -2.552 0.162 -3.070 1.00 74.14 H new ATOM 0 HD13 LEU A 90 -1.084 0.405 -4.047 1.00 74.14 H new ATOM 0 HD21 LEU A 90 -2.674 1.958 -6.240 1.00 41.15 H new ATOM 0 HD22 LEU A 90 -1.566 0.681 -6.795 1.00 41.15 H new ATOM 0 HD23 LEU A 90 -3.288 0.619 -7.239 1.00 41.15 H new ATOM 1327 N GLU A 91 -2.011 -4.340 -5.945 1.00 43.34 N ATOM 1328 CA GLU A 91 -2.497 -5.451 -6.701 1.00 24.44 C ATOM 1329 C GLU A 91 -3.895 -5.565 -6.208 1.00 23.54 C ATOM 1330 O GLU A 91 -4.124 -5.466 -4.995 1.00 1.24 O ATOM 1331 CB GLU A 91 -1.766 -6.800 -6.399 1.00 42.12 C ATOM 1332 CG GLU A 91 -2.122 -7.943 -7.366 1.00 74.25 C ATOM 1333 CD GLU A 91 -1.361 -9.194 -6.948 1.00 72.04 C ATOM 1334 OE1 GLU A 91 -1.676 -9.758 -5.874 1.00 12.21 O ATOM 1335 OE2 GLU A 91 -0.456 -9.634 -7.684 1.00 4.12 O ATOM 0 H GLU A 91 -2.041 -4.472 -4.934 1.00 43.34 H new ATOM 0 HA GLU A 91 -2.362 -5.287 -7.770 1.00 24.44 H new ATOM 0 HB2 GLU A 91 -0.690 -6.632 -6.434 1.00 42.12 H new ATOM 0 HB3 GLU A 91 -2.007 -7.111 -5.383 1.00 42.12 H new ATOM 0 HG2 GLU A 91 -3.196 -8.131 -7.349 1.00 74.25 H new ATOM 0 HG3 GLU A 91 -1.863 -7.667 -8.388 1.00 74.25 H new ATOM 1342 N LYS A 92 -4.876 -5.725 -7.113 1.00 71.40 N ATOM 1343 CA LYS A 92 -6.261 -5.869 -6.677 1.00 72.03 C ATOM 1344 C LYS A 92 -6.360 -7.122 -5.859 1.00 14.45 C ATOM 1345 O LYS A 92 -5.763 -8.138 -6.205 1.00 25.00 O ATOM 1346 CB LYS A 92 -7.283 -5.983 -7.834 1.00 71.41 C ATOM 1347 CG LYS A 92 -7.313 -4.771 -8.762 1.00 14.13 C ATOM 1348 CD LYS A 92 -7.699 -3.470 -8.065 1.00 4.03 C ATOM 1349 CE LYS A 92 -9.123 -3.424 -7.529 1.00 2.25 C ATOM 1350 NZ LYS A 92 -9.330 -2.173 -6.787 1.00 53.34 N ATOM 0 H LYS A 92 -4.735 -5.756 -8.123 1.00 71.40 H new ATOM 0 HA LYS A 92 -6.509 -4.966 -6.119 1.00 72.03 H new ATOM 0 HB2 LYS A 92 -7.052 -6.871 -8.422 1.00 71.41 H new ATOM 0 HB3 LYS A 92 -8.278 -6.129 -7.413 1.00 71.41 H new ATOM 0 HG2 LYS A 92 -6.330 -4.650 -9.218 1.00 14.13 H new ATOM 0 HG3 LYS A 92 -8.018 -4.962 -9.571 1.00 14.13 H new ATOM 0 HD2 LYS A 92 -7.010 -3.301 -7.238 1.00 4.03 H new ATOM 0 HD3 LYS A 92 -7.564 -2.646 -8.766 1.00 4.03 H new ATOM 0 HE2 LYS A 92 -9.834 -3.493 -8.352 1.00 2.25 H new ATOM 0 HE3 LYS A 92 -9.305 -4.279 -6.878 1.00 2.25 H new ATOM 0 HZ1 LYS A 92 -10.341 -2.063 -6.568 1.00 53.34 H new ATOM 0 HZ2 LYS A 92 -8.784 -2.200 -5.902 1.00 53.34 H new ATOM 0 HZ3 LYS A 92 -9.012 -1.370 -7.366 1.00 53.34 H new ATOM 1364 N GLY A 93 -7.102 -7.056 -4.756 1.00 65.04 N ATOM 1365 CA GLY A 93 -7.198 -8.163 -3.851 1.00 44.34 C ATOM 1366 C GLY A 93 -8.621 -8.530 -3.791 1.00 31.13 C ATOM 1367 O GLY A 93 -9.393 -8.247 -4.735 1.00 71.10 O ATOM 0 H GLY A 93 -7.642 -6.236 -4.480 1.00 65.04 H new ATOM 0 HA2 GLY A 93 -6.595 -9.002 -4.199 1.00 44.34 H new ATOM 0 HA3 GLY A 93 -6.826 -7.890 -2.864 1.00 44.34 H new ATOM 1371 N GLN A 94 -9.042 -9.185 -2.696 1.00 35.05 N ATOM 1372 CA GLN A 94 -10.394 -9.624 -2.587 1.00 13.03 C ATOM 1373 C GLN A 94 -10.750 -9.462 -1.157 1.00 13.21 C ATOM 1374 O GLN A 94 -9.876 -9.259 -0.311 1.00 41.22 O ATOM 1375 CB GLN A 94 -10.589 -11.120 -2.948 1.00 11.34 C ATOM 1376 CG GLN A 94 -10.150 -11.458 -4.379 1.00 53.34 C ATOM 1377 CD GLN A 94 -10.351 -12.945 -4.609 1.00 12.54 C ATOM 1378 OE1 GLN A 94 -9.401 -13.726 -4.519 1.00 51.01 O ATOM 1379 NE2 GLN A 94 -11.595 -13.353 -4.910 1.00 20.02 N ATOM 0 H GLN A 94 -8.452 -9.408 -1.894 1.00 35.05 H new ATOM 0 HA GLN A 94 -11.008 -9.047 -3.278 1.00 13.03 H new ATOM 0 HB2 GLN A 94 -10.023 -11.733 -2.247 1.00 11.34 H new ATOM 0 HB3 GLN A 94 -11.640 -11.383 -2.825 1.00 11.34 H new ATOM 0 HG2 GLN A 94 -10.731 -10.882 -5.099 1.00 53.34 H new ATOM 0 HG3 GLN A 94 -9.104 -11.190 -4.527 1.00 53.34 H new ATOM 0 HE21 GLN A 94 -12.353 -12.673 -4.975 1.00 20.02 H new ATOM 0 HE22 GLN A 94 -11.782 -14.342 -5.074 1.00 20.02 H new ATOM 1388 N SER A 95 -12.048 -9.548 -0.858 1.00 71.10 N ATOM 1389 CA SER A 95 -12.501 -9.494 0.501 1.00 11.33 C ATOM 1390 C SER A 95 -12.707 -10.939 0.914 1.00 31.12 C ATOM 1391 O SER A 95 -13.404 -11.694 0.222 1.00 45.52 O ATOM 1392 CB SER A 95 -13.847 -8.757 0.649 1.00 53.43 C ATOM 1393 OG SER A 95 -13.729 -7.413 0.147 1.00 52.20 O ATOM 0 H SER A 95 -12.790 -9.655 -1.550 1.00 71.10 H new ATOM 0 HA SER A 95 -11.774 -8.956 1.109 1.00 11.33 H new ATOM 0 HB2 SER A 95 -14.625 -9.291 0.104 1.00 53.43 H new ATOM 0 HB3 SER A 95 -14.148 -8.738 1.697 1.00 53.43 H new ATOM 0 HG SER A 95 -14.588 -6.951 0.243 1.00 52.20 H new ATOM 1399 N PRO A 96 -12.051 -11.366 2.009 1.00 24.41 N ATOM 1400 CA PRO A 96 -12.183 -12.719 2.514 1.00 32.22 C ATOM 1401 C PRO A 96 -13.564 -12.881 3.083 1.00 3.22 C ATOM 1402 O PRO A 96 -13.848 -12.267 4.129 1.00 23.14 O ATOM 1403 CB PRO A 96 -11.116 -12.845 3.604 1.00 64.42 C ATOM 1404 CG PRO A 96 -10.862 -11.393 4.072 1.00 53.12 C ATOM 1405 CD PRO A 96 -11.136 -10.552 2.816 1.00 72.02 C ATOM 0 HA PRO A 96 -12.048 -13.484 1.749 1.00 32.22 H new ATOM 0 HB2 PRO A 96 -11.462 -13.472 4.426 1.00 64.42 H new ATOM 0 HB3 PRO A 96 -10.205 -13.301 3.216 1.00 64.42 H new ATOM 0 HG2 PRO A 96 -11.524 -11.115 4.892 1.00 53.12 H new ATOM 0 HG3 PRO A 96 -9.840 -11.260 4.428 1.00 53.12 H new ATOM 0 HD2 PRO A 96 -11.584 -9.592 3.073 1.00 72.02 H new ATOM 0 HD3 PRO A 96 -10.214 -10.339 2.274 1.00 72.02 H new ATOM 1413 N THR A 97 -14.394 -13.723 2.430 1.00 11.34 N ATOM 1414 CA THR A 97 -15.754 -14.004 2.823 1.00 71.22 C ATOM 1415 C THR A 97 -16.518 -12.691 3.243 1.00 13.51 C ATOM 1416 O THR A 97 -16.445 -11.683 2.495 1.00 22.53 O ATOM 1417 CB THR A 97 -15.909 -15.150 3.848 1.00 61.11 C ATOM 1418 OG1 THR A 97 -17.280 -15.399 4.127 1.00 52.21 O ATOM 1419 CG2 THR A 97 -15.143 -14.850 5.159 1.00 4.13 C ATOM 0 H THR A 97 -14.109 -14.231 1.593 1.00 11.34 H new ATOM 0 HA THR A 97 -16.240 -14.393 1.928 1.00 71.22 H new ATOM 0 HB THR A 97 -15.474 -16.044 3.401 1.00 61.11 H new ATOM 0 HG1 THR A 97 -17.354 -16.129 4.777 1.00 52.21 H new ATOM 0 HG21 THR A 97 -15.275 -15.678 5.855 1.00 4.13 H new ATOM 0 HG22 THR A 97 -14.082 -14.726 4.940 1.00 4.13 H new ATOM 0 HG23 THR A 97 -15.531 -13.935 5.606 1.00 4.13 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 -5.170 1.177 11.684 1.00 51.43 C HETATM 1429 C2 33B A 101 -3.863 1.939 11.832 1.00 1.12 C HETATM 1430 O2 33B A 101 -3.783 3.112 11.475 1.00 14.13 O HETATM 1431 N3 33B A 101 -2.830 1.257 12.417 1.00 45.32 N HETATM 1432 C4 33B A 101 -1.355 1.708 12.437 1.00 32.32 C HETATM 1433 C5 33B A 101 -0.915 2.876 11.729 1.00 65.41 C HETATM 1434 C6 33B A 101 -0.340 0.923 13.154 1.00 34.23 C HETATM 1435 S6 33B A 101 -0.718 -0.542 14.130 1.00 4.30 S HETATM 1436 C7 33B A 101 0.438 3.224 11.696 1.00 13.35 C HETATM 1437 C8 33B A 101 0.993 1.349 13.104 1.00 10.23 C HETATM 1438 C9 33B A 101 1.394 2.456 12.379 1.00 64.43 C HETATM 1439 N10 33B A 101 2.857 2.691 12.226 1.00 62.41 N HETATM 1440 N11 33B A 101 3.395 3.546 11.491 1.00 13.42 N HETATM 1441 C12 33B A 101 4.898 3.620 11.361 1.00 1.35 C HETATM 1442 C13 33B A 101 5.497 4.562 10.517 1.00 11.43 C HETATM 1443 C14 33B A 101 5.714 2.685 12.030 1.00 35.11 C HETATM 1444 C15 33B A 101 6.885 4.536 10.276 1.00 22.23 C HETATM 1445 C16 33B A 101 7.094 2.607 11.832 1.00 3.21 C HETATM 1446 C17 33B A 101 7.723 3.547 10.898 1.00 72.31 C HETATM 1447 S17 33B A 101 7.992 1.337 12.759 1.00 43.12 S HETATM 1448 N18 33B A 101 9.217 3.434 10.572 1.00 13.04 N HETATM 1449 C19 33B A 101 9.928 4.245 9.718 1.00 72.32 C HETATM 1450 O19 33B A 101 9.493 5.296 9.242 1.00 2.02 O HETATM 1451 C20 33B A 101 11.331 3.765 9.363 1.00 72.45 C HETATM 1452 O61 33B A 101 -1.798 -1.178 13.413 1.00 10.42 O HETATM 1453 O62 33B A 101 0.526 -1.294 14.127 1.00 44.32 O HETATM 1454 O63 33B A 101 -1.073 0.019 15.412 1.00 4.45 O HETATM 1455 O71 33B A 101 8.228 2.006 14.020 1.00 45.31 O HETATM 1456 O72 33B A 101 7.033 0.248 12.840 1.00 60.51 O HETATM 1457 O73 33B A 101 9.159 1.066 11.984 1.00 14.14 O HETATM 0 HO72 33B A 101 6.673 0.062 11.948 1.00 60.51 H new HETATM 0 HO62 33B A 101 0.411 -2.119 14.643 1.00 44.32 H new HETATM 0 HN18 33B A 101 9.734 2.685 11.033 1.00 13.04 H new HETATM 0 HN3 33B A 101 -3.055 0.376 12.879 1.00 45.32 H new HETATM 0 H8 33B A 101 1.744 0.786 13.658 1.00 10.23 H new HETATM 0 H7 33B A 101 0.755 4.102 11.133 1.00 13.35 H new HETATM 0 H5 33B A 101 -1.644 3.499 11.211 1.00 65.41 H new HETATM 0 H15 33B A 101 7.329 5.275 9.609 1.00 22.23 H new HETATM 0 H14 33B A 101 5.248 1.993 12.732 1.00 35.11 H new HETATM 0 H13 33B A 101 4.882 5.325 10.040 1.00 11.43 H new