USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 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+ 141:sc= 1.02 (180deg=-0.0436) USER MOD Set 1.2: A 82 THR OG1 : rot -54:sc= 0.993 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.177 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 175:sc= 1.01 (180deg=0.813) USER MOD Single : A 15 ASN : amide:sc=-0.00417 X(o=-0.0042,f=-0.061) USER MOD Single : A 17 ASN : amide:sc= -0.267 K(o=-0.27,f=-2!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.008 USER MOD Single : A 28 ASN : amide:sc= -0.0672 K(o=-0.067,f=-2!) USER MOD Single : A 29 THR OG1 : rot -170:sc= 0.33 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.977 X(o=-0.98,f=-0.54) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.077 X(o=-0.077,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.588 K(o=-0.59,f=-3.5!) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 1.32 (180deg=1.15) USER MOD Single : A 63 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.3!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 72 HIS : no HD1:sc= -0.0444 X(o=-0.044,f=-0.044) USER MOD Single : A 73 LYS NZ :NH3+ 136:sc= 1.35 (180deg=0.578) USER MOD Single : A 74 GLN : amide:sc= 0.333 K(o=0.33,f=-4.6!) USER MOD Single : A 78 THR OG1 : rot 50:sc= 1.15 USER MOD Single : A 81 ASN : amide:sc= -0.0565 K(o=-0.057,f=-1.4!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.119 X(o=-0.12,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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.958 -2.517 -14.052 1.00 33.41 N ATOM 2 CA GLY A 1 -14.668 -2.130 -13.482 1.00 32.42 C ATOM 3 C GLY A 1 -13.735 -3.278 -13.619 1.00 13.22 C ATOM 4 O GLY A 1 -14.081 -4.321 -14.181 1.00 72.44 O ATOM 0 H1 GLY A 1 -16.327 -1.740 -14.636 1.00 33.41 H new ATOM 0 H2 GLY A 1 -15.837 -3.365 -14.641 1.00 33.41 H new ATOM 0 H3 GLY A 1 -16.629 -2.722 -13.284 1.00 33.41 H new ATOM 0 HA2 GLY A 1 -14.272 -1.255 -13.998 1.00 32.42 H new ATOM 0 HA3 GLY A 1 -14.783 -1.857 -12.433 1.00 32.42 H new ATOM 10 N PRO A 2 -12.513 -3.087 -13.113 1.00 11.54 N ATOM 11 CA PRO A 2 -11.425 -4.041 -13.281 1.00 72.51 C ATOM 12 C PRO A 2 -11.768 -5.319 -12.550 1.00 22.32 C ATOM 13 O PRO A 2 -12.615 -5.299 -11.646 1.00 0.21 O ATOM 14 CB PRO A 2 -10.201 -3.338 -12.657 1.00 4.45 C ATOM 15 CG PRO A 2 -10.803 -2.305 -11.681 1.00 61.14 C ATOM 16 CD PRO A 2 -12.123 -1.904 -12.349 1.00 40.12 C ATOM 0 HA PRO A 2 -11.238 -4.315 -14.319 1.00 72.51 H new ATOM 0 HB2 PRO A 2 -9.558 -4.048 -12.136 1.00 4.45 H new ATOM 0 HB3 PRO A 2 -9.590 -2.854 -13.419 1.00 4.45 H new ATOM 0 HG2 PRO A 2 -10.968 -2.736 -10.693 1.00 61.14 H new ATOM 0 HG3 PRO A 2 -10.144 -1.447 -11.549 1.00 61.14 H new ATOM 0 HD2 PRO A 2 -12.879 -1.640 -11.610 1.00 40.12 H new ATOM 0 HD3 PRO A 2 -11.994 -1.037 -12.996 1.00 40.12 H new ATOM 24 N LYS A 3 -11.155 -6.428 -12.957 1.00 25.02 N ATOM 25 CA LYS A 3 -11.449 -7.715 -12.385 1.00 23.53 C ATOM 26 C LYS A 3 -10.720 -7.790 -11.070 1.00 51.22 C ATOM 27 O LYS A 3 -9.753 -7.068 -10.840 1.00 45.04 O ATOM 28 CB LYS A 3 -10.930 -8.862 -13.279 1.00 12.54 C ATOM 29 CG LYS A 3 -11.404 -8.733 -14.733 1.00 41.45 C ATOM 30 CD LYS A 3 -10.924 -9.863 -15.638 1.00 33.32 C ATOM 31 CE LYS A 3 -9.391 -9.974 -15.777 1.00 11.45 C ATOM 32 NZ LYS A 3 -8.809 -8.736 -16.326 1.00 31.23 N ATOM 0 H LYS A 3 -10.446 -6.447 -13.690 1.00 25.02 H new ATOM 0 HA LYS A 3 -12.528 -7.822 -12.276 1.00 23.53 H new ATOM 0 HB2 LYS A 3 -9.840 -8.873 -13.255 1.00 12.54 H new ATOM 0 HB3 LYS A 3 -11.267 -9.816 -12.873 1.00 12.54 H new ATOM 0 HG2 LYS A 3 -12.494 -8.705 -14.749 1.00 41.45 H new ATOM 0 HG3 LYS A 3 -11.054 -7.783 -15.137 1.00 41.45 H new ATOM 0 HD2 LYS A 3 -11.309 -10.807 -15.252 1.00 33.32 H new ATOM 0 HD3 LYS A 3 -11.355 -9.724 -16.629 1.00 33.32 H new ATOM 0 HE2 LYS A 3 -8.950 -10.184 -14.802 1.00 11.45 H new ATOM 0 HE3 LYS A 3 -9.143 -10.813 -16.427 1.00 11.45 H new ATOM 0 HZ1 LYS A 3 -7.772 -8.811 -16.328 1.00 31.23 H new ATOM 0 HZ2 LYS A 3 -9.148 -8.595 -17.299 1.00 31.23 H new ATOM 0 HZ3 LYS A 3 -9.096 -7.927 -15.739 1.00 31.23 H new ATOM 46 N PRO A 4 -11.158 -8.691 -10.184 1.00 54.54 N ATOM 47 CA PRO A 4 -10.412 -8.997 -8.989 1.00 33.11 C ATOM 48 C PRO A 4 -9.118 -9.631 -9.429 1.00 63.12 C ATOM 49 O PRO A 4 -9.145 -10.517 -10.299 1.00 42.42 O ATOM 50 CB PRO A 4 -11.305 -9.979 -8.201 1.00 71.42 C ATOM 51 CG PRO A 4 -12.240 -10.596 -9.265 1.00 34.41 C ATOM 52 CD PRO A 4 -12.398 -9.472 -10.301 1.00 64.35 C ATOM 0 HA PRO A 4 -10.170 -8.136 -8.366 1.00 33.11 H new ATOM 0 HB2 PRO A 4 -10.709 -10.745 -7.705 1.00 71.42 H new ATOM 0 HB3 PRO A 4 -11.872 -9.464 -7.426 1.00 71.42 H new ATOM 0 HG2 PRO A 4 -11.807 -11.492 -9.709 1.00 34.41 H new ATOM 0 HG3 PRO A 4 -13.200 -10.885 -8.837 1.00 34.41 H new ATOM 0 HD2 PRO A 4 -12.522 -9.873 -11.307 1.00 64.35 H new ATOM 0 HD3 PRO A 4 -13.275 -8.859 -10.092 1.00 64.35 H new ATOM 60 N GLY A 5 -7.995 -9.174 -8.888 1.00 14.33 N ATOM 61 CA GLY A 5 -6.710 -9.705 -9.285 1.00 15.13 C ATOM 62 C GLY A 5 -6.084 -8.791 -10.292 1.00 34.20 C ATOM 63 O GLY A 5 -4.888 -8.868 -10.510 1.00 32.44 O ATOM 0 H GLY A 5 -7.954 -8.442 -8.179 1.00 14.33 H new ATOM 0 HA2 GLY A 5 -6.061 -9.805 -8.415 1.00 15.13 H new ATOM 0 HA3 GLY A 5 -6.831 -10.702 -9.708 1.00 15.13 H new ATOM 67 N ASP A 6 -6.883 -7.897 -10.955 1.00 0.32 N ATOM 68 CA ASP A 6 -6.292 -6.986 -11.957 1.00 31.12 C ATOM 69 C ASP A 6 -5.330 -6.081 -11.262 1.00 35.43 C ATOM 70 O ASP A 6 -5.543 -5.671 -10.117 1.00 21.02 O ATOM 71 CB ASP A 6 -7.275 -6.080 -12.787 1.00 21.12 C ATOM 72 CG ASP A 6 -7.670 -6.790 -14.069 1.00 11.15 C ATOM 73 OD1 ASP A 6 -6.784 -7.386 -14.725 1.00 33.12 O ATOM 74 OD2 ASP A 6 -8.854 -6.734 -14.468 1.00 11.00 O ATOM 0 H ASP A 6 -7.889 -7.798 -10.816 1.00 0.32 H new ATOM 0 HA ASP A 6 -5.841 -7.657 -12.688 1.00 31.12 H new ATOM 0 HB2 ASP A 6 -8.163 -5.855 -12.196 1.00 21.12 H new ATOM 0 HB3 ASP A 6 -6.798 -5.128 -13.020 1.00 21.12 H new ATOM 79 N ILE A 7 -4.234 -5.771 -11.967 1.00 24.32 N ATOM 80 CA ILE A 7 -3.205 -4.932 -11.450 1.00 50.53 C ATOM 81 C ILE A 7 -3.583 -3.576 -11.921 1.00 61.04 C ATOM 82 O ILE A 7 -3.910 -3.380 -13.103 1.00 1.44 O ATOM 83 CB ILE A 7 -1.784 -5.273 -11.980 1.00 52.40 C ATOM 84 CG1 ILE A 7 -1.238 -6.585 -11.373 1.00 44.51 C ATOM 85 CG2 ILE A 7 -0.825 -4.097 -11.690 1.00 34.54 C ATOM 86 CD1 ILE A 7 -1.980 -7.839 -11.794 1.00 5.23 C ATOM 0 H ILE A 7 -4.058 -6.109 -12.913 1.00 24.32 H new ATOM 0 HA ILE A 7 -3.139 -5.044 -10.368 1.00 50.53 H new ATOM 0 HB ILE A 7 -1.854 -5.427 -13.057 1.00 52.40 H new ATOM 0 HG12 ILE A 7 -0.190 -6.689 -11.653 1.00 44.51 H new ATOM 0 HG13 ILE A 7 -1.272 -6.508 -10.286 1.00 44.51 H new ATOM 0 HG21 ILE A 7 0.170 -4.339 -12.063 1.00 34.54 H new ATOM 0 HG22 ILE A 7 -1.190 -3.199 -12.187 1.00 34.54 H new ATOM 0 HG23 ILE A 7 -0.778 -3.923 -10.615 1.00 34.54 H new ATOM 0 HD11 ILE A 7 -1.525 -8.708 -11.318 1.00 5.23 H new ATOM 0 HD12 ILE A 7 -3.024 -7.764 -11.490 1.00 5.23 H new ATOM 0 HD13 ILE A 7 -1.925 -7.948 -12.877 1.00 5.23 H new ATOM 98 N PHE A 8 -3.575 -2.617 -11.013 1.00 41.53 N ATOM 99 CA PHE A 8 -3.903 -1.281 -11.358 1.00 24.45 C ATOM 100 C PHE A 8 -2.836 -0.452 -10.757 1.00 24.03 C ATOM 101 O PHE A 8 -2.270 -0.808 -9.717 1.00 63.43 O ATOM 102 CB PHE A 8 -5.330 -0.781 -10.897 1.00 73.11 C ATOM 103 CG PHE A 8 -5.556 -0.969 -9.396 1.00 14.05 C ATOM 104 CD1 PHE A 8 -5.559 -2.265 -8.789 1.00 31.13 C ATOM 105 CD2 PHE A 8 -5.836 0.157 -8.579 1.00 70.54 C ATOM 106 CE1 PHE A 8 -5.807 -2.402 -7.408 1.00 54.00 C ATOM 107 CE2 PHE A 8 -6.092 0.003 -7.201 1.00 32.11 C ATOM 108 CZ PHE A 8 -6.073 -1.272 -6.620 1.00 32.14 C ATOM 0 H PHE A 8 -3.341 -2.758 -10.030 1.00 41.53 H new ATOM 0 HA PHE A 8 -3.961 -1.206 -12.444 1.00 24.45 H new ATOM 0 HB2 PHE A 8 -5.442 0.273 -11.149 1.00 73.11 H new ATOM 0 HB3 PHE A 8 -6.098 -1.324 -11.448 1.00 73.11 H new ATOM 0 HD1 PHE A 8 -5.371 -3.141 -9.391 1.00 31.13 H new ATOM 0 HD2 PHE A 8 -5.853 1.144 -9.018 1.00 70.54 H new ATOM 0 HE1 PHE A 8 -5.792 -3.382 -6.954 1.00 54.00 H new ATOM 0 HE2 PHE A 8 -6.303 0.870 -6.592 1.00 32.11 H new ATOM 0 HZ PHE A 8 -6.264 -1.385 -5.563 1.00 32.14 H new ATOM 118 N GLU A 9 -2.490 0.643 -11.428 1.00 50.42 N ATOM 119 CA GLU A 9 -1.429 1.471 -10.973 1.00 11.33 C ATOM 120 C GLU A 9 -2.095 2.634 -10.335 1.00 33.20 C ATOM 121 O GLU A 9 -3.073 3.168 -10.875 1.00 14.40 O ATOM 122 CB GLU A 9 -0.551 2.042 -12.114 1.00 62.31 C ATOM 123 CG GLU A 9 0.037 0.987 -13.082 1.00 52.51 C ATOM 124 CD GLU A 9 -1.041 0.520 -14.046 1.00 63.15 C ATOM 125 OE1 GLU A 9 -1.956 1.326 -14.370 1.00 14.21 O ATOM 126 OE2 GLU A 9 -0.970 -0.644 -14.502 1.00 41.42 O ATOM 0 H GLU A 9 -2.942 0.959 -12.286 1.00 50.42 H new ATOM 0 HA GLU A 9 -0.779 0.883 -10.325 1.00 11.33 H new ATOM 0 HB2 GLU A 9 -1.147 2.749 -12.691 1.00 62.31 H new ATOM 0 HB3 GLU A 9 0.271 2.605 -11.672 1.00 62.31 H new ATOM 0 HG2 GLU A 9 0.874 1.413 -13.636 1.00 52.51 H new ATOM 0 HG3 GLU A 9 0.427 0.139 -12.518 1.00 52.51 H new ATOM 133 N VAL A 10 -1.614 3.034 -9.172 1.00 0.14 N ATOM 134 CA VAL A 10 -2.187 4.144 -8.489 1.00 12.25 C ATOM 135 C VAL A 10 -1.069 5.085 -8.236 1.00 22.22 C ATOM 136 O VAL A 10 -0.039 4.707 -7.709 1.00 71.31 O ATOM 137 CB VAL A 10 -2.808 3.761 -7.148 1.00 41.34 C ATOM 138 CG1 VAL A 10 -3.331 5.026 -6.439 1.00 1.10 C ATOM 139 CG2 VAL A 10 -3.918 2.725 -7.414 1.00 65.52 C ATOM 0 H VAL A 10 -0.827 2.596 -8.693 1.00 0.14 H new ATOM 0 HA VAL A 10 -2.987 4.567 -9.097 1.00 12.25 H new ATOM 0 HB VAL A 10 -2.072 3.311 -6.482 1.00 41.34 H new ATOM 0 HG11 VAL A 10 -3.774 4.750 -5.482 1.00 1.10 H new ATOM 0 HG12 VAL A 10 -2.505 5.717 -6.271 1.00 1.10 H new ATOM 0 HG13 VAL A 10 -4.085 5.507 -7.062 1.00 1.10 H new ATOM 0 HG21 VAL A 10 -4.378 2.434 -6.470 1.00 65.52 H new ATOM 0 HG22 VAL A 10 -4.674 3.161 -8.067 1.00 65.52 H new ATOM 0 HG23 VAL A 10 -3.488 1.846 -7.894 1.00 65.52 H new ATOM 149 N GLU A 11 -1.264 6.346 -8.588 1.00 25.43 N ATOM 150 CA GLU A 11 -0.368 7.368 -8.174 1.00 21.40 C ATOM 151 C GLU A 11 -1.069 8.012 -7.044 1.00 31.11 C ATOM 152 O GLU A 11 -2.138 8.579 -7.219 1.00 22.40 O ATOM 153 CB GLU A 11 -0.095 8.420 -9.258 1.00 33.31 C ATOM 154 CG GLU A 11 0.640 7.827 -10.472 1.00 43.25 C ATOM 155 CD GLU A 11 0.805 8.897 -11.522 1.00 54.40 C ATOM 156 OE1 GLU A 11 0.346 10.034 -11.309 1.00 32.34 O ATOM 157 OE2 GLU A 11 1.370 8.592 -12.593 1.00 44.10 O ATOM 0 H GLU A 11 -2.043 6.668 -9.162 1.00 25.43 H new ATOM 0 HA GLU A 11 0.607 6.946 -7.929 1.00 21.40 H new ATOM 0 HB2 GLU A 11 -1.039 8.856 -9.585 1.00 33.31 H new ATOM 0 HB3 GLU A 11 0.500 9.229 -8.835 1.00 33.31 H new ATOM 0 HG2 GLU A 11 1.615 7.443 -10.170 1.00 43.25 H new ATOM 0 HG3 GLU A 11 0.078 6.986 -10.878 1.00 43.25 H new ATOM 164 N LEU A 12 -0.527 7.859 -5.844 1.00 33.21 N ATOM 165 CA LEU A 12 -1.173 8.309 -4.671 1.00 41.14 C ATOM 166 C LEU A 12 -0.485 9.556 -4.297 1.00 11.42 C ATOM 167 O LEU A 12 0.748 9.578 -4.164 1.00 61.41 O ATOM 168 CB LEU A 12 -0.999 7.290 -3.515 1.00 32.33 C ATOM 169 CG LEU A 12 -2.056 7.351 -2.403 1.00 14.13 C ATOM 170 CD1 LEU A 12 -1.940 8.583 -1.493 1.00 33.31 C ATOM 171 CD2 LEU A 12 -3.464 7.148 -2.960 1.00 5.00 C ATOM 0 H LEU A 12 0.377 7.415 -5.681 1.00 33.21 H new ATOM 0 HA LEU A 12 -2.241 8.442 -4.845 1.00 41.14 H new ATOM 0 HB2 LEU A 12 -1.002 6.286 -3.938 1.00 32.33 H new ATOM 0 HB3 LEU A 12 -0.018 7.443 -3.066 1.00 32.33 H new ATOM 0 HG LEU A 12 -1.846 6.511 -1.741 1.00 14.13 H new ATOM 0 HD11 LEU A 12 -2.722 8.550 -0.735 1.00 33.31 H new ATOM 0 HD12 LEU A 12 -0.964 8.586 -1.007 1.00 33.31 H new ATOM 0 HD13 LEU A 12 -2.051 9.488 -2.090 1.00 33.31 H new ATOM 0 HD21 LEU A 12 -4.188 7.197 -2.146 1.00 5.00 H new ATOM 0 HD22 LEU A 12 -3.683 7.929 -3.688 1.00 5.00 H new ATOM 0 HD23 LEU A 12 -3.527 6.173 -3.443 1.00 5.00 H new ATOM 183 N ALA A 13 -1.252 10.639 -4.154 1.00 52.11 N ATOM 184 CA ALA A 13 -0.673 11.887 -3.773 1.00 32.21 C ATOM 185 C ALA A 13 -0.655 11.908 -2.285 1.00 13.21 C ATOM 186 O ALA A 13 -1.689 11.845 -1.639 1.00 4.01 O ATOM 187 CB ALA A 13 -1.473 13.113 -4.251 1.00 3.53 C ATOM 0 H ALA A 13 -2.261 10.658 -4.299 1.00 52.11 H new ATOM 0 HA ALA A 13 0.314 11.956 -4.230 1.00 32.21 H new ATOM 0 HB1 ALA A 13 -0.972 14.024 -3.924 1.00 3.53 H new ATOM 0 HB2 ALA A 13 -1.537 13.104 -5.339 1.00 3.53 H new ATOM 0 HB3 ALA A 13 -2.477 13.079 -3.829 1.00 3.53 H new ATOM 193 N LYS A 14 0.543 12.031 -1.710 1.00 12.25 N ATOM 194 CA LYS A 14 0.723 12.148 -0.281 1.00 1.32 C ATOM 195 C LYS A 14 0.744 13.605 0.039 1.00 73.13 C ATOM 196 O LYS A 14 1.472 14.043 0.923 1.00 12.31 O ATOM 197 CB LYS A 14 1.987 11.471 0.273 1.00 33.10 C ATOM 198 CG LYS A 14 1.902 9.940 0.181 1.00 5.40 C ATOM 199 CD LYS A 14 2.610 9.210 1.326 1.00 41.13 C ATOM 200 CE LYS A 14 4.066 8.809 1.079 1.00 11.40 C ATOM 201 NZ LYS A 14 4.945 9.953 0.711 1.00 15.13 N ATOM 0 H LYS A 14 1.416 12.051 -2.237 1.00 12.25 H new ATOM 0 HA LYS A 14 -0.102 11.621 0.199 1.00 1.32 H new ATOM 0 HB2 LYS A 14 2.859 11.820 -0.281 1.00 33.10 H new ATOM 0 HB3 LYS A 14 2.131 11.765 1.313 1.00 33.10 H new ATOM 0 HG2 LYS A 14 0.853 9.644 0.168 1.00 5.40 H new ATOM 0 HG3 LYS A 14 2.336 9.618 -0.766 1.00 5.40 H new ATOM 0 HD2 LYS A 14 2.576 9.847 2.210 1.00 41.13 H new ATOM 0 HD3 LYS A 14 2.042 8.309 1.560 1.00 41.13 H new ATOM 0 HE2 LYS A 14 4.460 8.333 1.977 1.00 11.40 H new ATOM 0 HE3 LYS A 14 4.099 8.065 0.283 1.00 11.40 H new ATOM 0 HZ1 LYS A 14 5.872 9.840 1.170 1.00 15.13 H new ATOM 0 HZ2 LYS A 14 5.070 9.977 -0.321 1.00 15.13 H new ATOM 0 HZ3 LYS A 14 4.508 10.842 1.027 1.00 15.13 H new ATOM 215 N ASN A 15 -0.067 14.348 -0.763 1.00 42.02 N ATOM 216 CA ASN A 15 -0.274 15.808 -0.762 1.00 44.24 C ATOM 217 C ASN A 15 0.648 16.505 0.178 1.00 5.15 C ATOM 218 O ASN A 15 1.766 16.857 -0.201 1.00 60.51 O ATOM 219 CB ASN A 15 -1.731 16.221 -0.453 1.00 25.31 C ATOM 220 CG ASN A 15 -2.613 15.647 -1.554 1.00 74.33 C ATOM 221 OD1 ASN A 15 -2.468 16.006 -2.719 1.00 33.35 O ATOM 222 ND2 ASN A 15 -3.530 14.733 -1.197 1.00 52.24 N ATOM 0 H ASN A 15 -0.634 13.898 -1.481 1.00 42.02 H new ATOM 0 HA ASN A 15 -0.049 16.121 -1.781 1.00 44.24 H new ATOM 0 HB2 ASN A 15 -2.039 15.842 0.521 1.00 25.31 H new ATOM 0 HB3 ASN A 15 -1.822 17.307 -0.416 1.00 25.31 H new ATOM 0 HD21 ASN A 15 -4.134 14.313 -1.904 1.00 52.24 H new ATOM 0 HD22 ASN A 15 -3.623 14.458 -0.219 1.00 52.24 H new ATOM 229 N ASP A 16 0.211 16.714 1.426 1.00 15.14 N ATOM 230 CA ASP A 16 1.055 17.343 2.395 1.00 5.33 C ATOM 231 C ASP A 16 0.484 16.935 3.721 1.00 21.15 C ATOM 232 O ASP A 16 -0.509 16.203 3.766 1.00 30.42 O ATOM 233 CB ASP A 16 1.026 18.908 2.295 1.00 22.44 C ATOM 234 CG ASP A 16 2.215 19.518 3.024 1.00 2.34 C ATOM 235 OD1 ASP A 16 3.063 18.758 3.546 1.00 32.42 O ATOM 236 OD2 ASP A 16 2.317 20.763 3.050 1.00 30.34 O ATOM 0 H ASP A 16 -0.715 16.453 1.766 1.00 15.14 H new ATOM 0 HA ASP A 16 2.092 17.043 2.245 1.00 5.33 H new ATOM 0 HB2 ASP A 16 1.041 19.210 1.248 1.00 22.44 H new ATOM 0 HB3 ASP A 16 0.098 19.287 2.723 1.00 22.44 H new ATOM 241 N ASN A 17 1.081 17.423 4.818 1.00 74.30 N ATOM 242 CA ASN A 17 0.594 17.230 6.162 1.00 5.54 C ATOM 243 C ASN A 17 0.880 15.802 6.576 1.00 12.31 C ATOM 244 O ASN A 17 2.033 15.376 6.624 1.00 42.31 O ATOM 245 CB ASN A 17 -0.921 17.623 6.378 1.00 3.04 C ATOM 246 CG ASN A 17 -1.229 17.734 7.881 1.00 55.12 C ATOM 247 OD1 ASN A 17 -0.335 17.680 8.717 1.00 64.10 O ATOM 248 ND2 ASN A 17 -2.519 17.892 8.226 1.00 12.33 N ATOM 0 H ASN A 17 1.938 17.975 4.777 1.00 74.30 H new ATOM 0 HA ASN A 17 1.130 17.925 6.809 1.00 5.54 H new ATOM 0 HB2 ASN A 17 -1.133 18.572 5.884 1.00 3.04 H new ATOM 0 HB3 ASN A 17 -1.568 16.874 5.921 1.00 3.04 H new ATOM 0 HD21 ASN A 17 -2.778 17.971 9.209 1.00 12.33 H new ATOM 0 HD22 ASN A 17 -3.239 17.933 7.504 1.00 12.33 H new ATOM 255 N SER A 18 -0.167 15.063 6.897 1.00 33.33 N ATOM 256 CA SER A 18 -0.025 13.725 7.428 1.00 70.23 C ATOM 257 C SER A 18 -0.055 12.775 6.272 1.00 21.25 C ATOM 258 O SER A 18 -0.923 12.884 5.403 1.00 3.11 O ATOM 259 CB SER A 18 -1.176 13.334 8.380 1.00 22.15 C ATOM 260 OG SER A 18 -1.310 14.298 9.436 1.00 23.45 O ATOM 0 H SER A 18 -1.133 15.374 6.797 1.00 33.33 H new ATOM 0 HA SER A 18 0.907 13.685 7.992 1.00 70.23 H new ATOM 0 HB2 SER A 18 -2.110 13.267 7.822 1.00 22.15 H new ATOM 0 HB3 SER A 18 -0.986 12.348 8.803 1.00 22.15 H new ATOM 0 HG SER A 18 -2.045 14.035 10.028 1.00 23.45 H new ATOM 266 N LEU A 19 0.904 11.808 6.218 1.00 72.13 N ATOM 267 CA LEU A 19 0.837 10.784 5.191 1.00 73.30 C ATOM 268 C LEU A 19 -0.288 9.863 5.599 1.00 0.21 C ATOM 269 O LEU A 19 -1.298 9.751 4.930 1.00 35.21 O ATOM 270 CB LEU A 19 2.142 9.951 5.065 1.00 11.21 C ATOM 271 CG LEU A 19 3.441 10.809 4.978 1.00 50.12 C ATOM 272 CD1 LEU A 19 4.698 9.940 4.808 1.00 41.01 C ATOM 273 CD2 LEU A 19 3.376 11.960 3.949 1.00 3.54 C ATOM 0 H LEU A 19 1.695 11.734 6.857 1.00 72.13 H new ATOM 0 HA LEU A 19 0.684 11.260 4.223 1.00 73.30 H new ATOM 0 HB2 LEU A 19 2.218 9.283 5.923 1.00 11.21 H new ATOM 0 HB3 LEU A 19 2.075 9.323 4.177 1.00 11.21 H new ATOM 0 HG LEU A 19 3.518 11.306 5.945 1.00 50.12 H new ATOM 0 HD11 LEU A 19 5.578 10.580 4.752 1.00 41.01 H new ATOM 0 HD12 LEU A 19 4.793 9.267 5.660 1.00 41.01 H new ATOM 0 HD13 LEU A 19 4.615 9.356 3.891 1.00 41.01 H new ATOM 0 HD21 LEU A 19 4.320 12.506 3.953 1.00 3.54 H new ATOM 0 HD22 LEU A 19 3.198 11.550 2.955 1.00 3.54 H new ATOM 0 HD23 LEU A 19 2.564 12.638 4.212 1.00 3.54 H new ATOM 285 N GLY A 20 -0.148 9.280 6.802 1.00 31.23 N ATOM 286 CA GLY A 20 -1.250 8.623 7.479 1.00 71.24 C ATOM 287 C GLY A 20 -1.598 7.335 6.797 1.00 75.13 C ATOM 288 O GLY A 20 -2.782 7.013 6.640 1.00 53.22 O ATOM 0 H GLY A 20 0.731 9.257 7.319 1.00 31.23 H new ATOM 0 HA2 GLY A 20 -0.982 8.429 8.518 1.00 71.24 H new ATOM 0 HA3 GLY A 20 -2.119 9.280 7.491 1.00 71.24 H new ATOM 292 N ILE A 21 -0.586 6.554 6.386 1.00 43.43 N ATOM 293 CA ILE A 21 -0.837 5.265 5.788 1.00 35.52 C ATOM 294 C ILE A 21 0.022 4.318 6.587 1.00 4.41 C ATOM 295 O ILE A 21 1.041 4.740 7.155 1.00 12.23 O ATOM 296 CB ILE A 21 -0.413 5.197 4.299 1.00 62.24 C ATOM 297 CG1 ILE A 21 -0.919 6.454 3.531 1.00 60.54 C ATOM 298 CG2 ILE A 21 -0.931 3.870 3.671 1.00 64.34 C ATOM 299 CD1 ILE A 21 -0.524 6.470 2.047 1.00 34.23 C ATOM 0 H ILE A 21 0.400 6.804 6.463 1.00 43.43 H new ATOM 0 HA ILE A 21 -1.902 5.033 5.805 1.00 35.52 H new ATOM 0 HB ILE A 21 0.674 5.199 4.224 1.00 62.24 H new ATOM 0 HG12 ILE A 21 -2.005 6.504 3.610 1.00 60.54 H new ATOM 0 HG13 ILE A 21 -0.523 7.348 4.013 1.00 60.54 H new ATOM 0 HG21 ILE A 21 -0.633 3.822 2.624 1.00 64.34 H new ATOM 0 HG22 ILE A 21 -0.505 3.023 4.208 1.00 64.34 H new ATOM 0 HG23 ILE A 21 -2.018 3.835 3.741 1.00 64.34 H new ATOM 0 HD11 ILE A 21 -0.911 7.374 1.577 1.00 34.23 H new ATOM 0 HD12 ILE A 21 0.562 6.452 1.959 1.00 34.23 H new ATOM 0 HD13 ILE A 21 -0.943 5.595 1.550 1.00 34.23 H new ATOM 311 N CYS A 22 -0.352 3.025 6.652 1.00 74.11 N ATOM 312 CA CYS A 22 0.529 2.049 7.233 1.00 64.11 C ATOM 313 C CYS A 22 0.138 0.763 6.587 1.00 14.25 C ATOM 314 O CYS A 22 -0.870 0.701 5.869 1.00 74.34 O ATOM 315 CB CYS A 22 0.351 1.893 8.772 1.00 12.54 C ATOM 316 SG CYS A 22 1.710 0.959 9.558 1.00 51.02 S ATOM 0 H CYS A 22 -1.241 2.659 6.312 1.00 74.11 H new ATOM 0 HA CYS A 22 1.566 2.346 7.075 1.00 64.11 H new ATOM 0 HB2 CYS A 22 0.287 2.882 9.227 1.00 12.54 H new ATOM 0 HB3 CYS A 22 -0.594 1.388 8.973 1.00 12.54 H new ATOM 321 N VAL A 23 0.981 -0.263 6.724 1.00 72.41 N ATOM 322 CA VAL A 23 0.846 -1.451 5.958 1.00 34.22 C ATOM 323 C VAL A 23 1.276 -2.574 6.868 1.00 52.21 C ATOM 324 O VAL A 23 1.829 -2.336 7.953 1.00 52.34 O ATOM 325 CB VAL A 23 1.740 -1.447 4.711 1.00 33.41 C ATOM 326 CG1 VAL A 23 0.997 -0.726 3.567 1.00 1.00 C ATOM 327 CG2 VAL A 23 3.076 -0.769 5.060 1.00 54.43 C ATOM 0 H VAL A 23 1.767 -0.270 7.374 1.00 72.41 H new ATOM 0 HA VAL A 23 -0.181 -1.552 5.606 1.00 34.22 H new ATOM 0 HB VAL A 23 1.959 -2.461 4.377 1.00 33.41 H new ATOM 0 HG11 VAL A 23 1.623 -0.717 2.675 1.00 1.00 H new ATOM 0 HG12 VAL A 23 0.066 -1.250 3.351 1.00 1.00 H new ATOM 0 HG13 VAL A 23 0.776 0.299 3.866 1.00 1.00 H new ATOM 0 HG21 VAL A 23 3.720 -0.760 4.181 1.00 54.43 H new ATOM 0 HG22 VAL A 23 2.891 0.255 5.384 1.00 54.43 H new ATOM 0 HG23 VAL A 23 3.565 -1.321 5.863 1.00 54.43 H new ATOM 337 N THR A 24 0.993 -3.804 6.448 1.00 33.31 N ATOM 338 CA THR A 24 1.261 -4.970 7.228 1.00 53.10 C ATOM 339 C THR A 24 1.616 -6.025 6.221 1.00 73.44 C ATOM 340 O THR A 24 1.386 -5.836 5.029 1.00 31.22 O ATOM 341 CB THR A 24 0.056 -5.422 8.075 1.00 13.23 C ATOM 342 OG1 THR A 24 0.356 -6.564 8.891 1.00 31.20 O ATOM 343 CG2 THR A 24 -1.150 -5.730 7.150 1.00 74.33 C ATOM 0 H THR A 24 0.566 -4.003 5.543 1.00 33.31 H new ATOM 0 HA THR A 24 2.054 -4.775 7.950 1.00 53.10 H new ATOM 0 HB THR A 24 -0.193 -4.603 8.750 1.00 13.23 H new ATOM 0 HG1 THR A 24 -0.437 -6.812 9.411 1.00 31.20 H new ATOM 0 HG21 THR A 24 -1.999 -6.049 7.754 1.00 74.33 H new ATOM 0 HG22 THR A 24 -1.418 -4.833 6.591 1.00 74.33 H new ATOM 0 HG23 THR A 24 -0.881 -6.524 6.454 1.00 74.33 H new ATOM 351 N GLY A 25 2.185 -7.155 6.687 1.00 34.30 N ATOM 352 CA GLY A 25 2.537 -8.234 5.803 1.00 2.22 C ATOM 353 C GLY A 25 3.887 -7.964 5.226 1.00 2.34 C ATOM 354 O GLY A 25 4.180 -6.874 4.830 1.00 43.14 O ATOM 0 H GLY A 25 2.401 -7.324 7.669 1.00 34.30 H new ATOM 0 HA2 GLY A 25 2.541 -9.180 6.345 1.00 2.22 H new ATOM 0 HA3 GLY A 25 1.798 -8.326 5.007 1.00 2.22 H new ATOM 358 N GLY A 26 4.742 -8.986 5.217 1.00 40.34 N ATOM 359 CA GLY A 26 5.961 -8.952 4.473 1.00 32.22 C ATOM 360 C GLY A 26 6.505 -10.358 4.369 1.00 2.51 C ATOM 361 O GLY A 26 6.104 -11.123 3.507 1.00 34.24 O ATOM 0 H GLY A 26 4.592 -9.853 5.732 1.00 40.34 H new ATOM 0 HA2 GLY A 26 5.786 -8.540 3.479 1.00 32.22 H new ATOM 0 HA3 GLY A 26 6.685 -8.302 4.964 1.00 32.22 H new ATOM 365 N VAL A 27 7.460 -10.692 5.268 1.00 41.21 N ATOM 366 CA VAL A 27 8.322 -11.906 5.256 1.00 14.45 C ATOM 367 C VAL A 27 7.587 -13.260 5.368 1.00 10.34 C ATOM 368 O VAL A 27 8.194 -14.222 5.823 1.00 31.51 O ATOM 369 CB VAL A 27 9.429 -11.850 6.284 1.00 54.54 C ATOM 370 CG1 VAL A 27 10.439 -10.815 5.807 1.00 15.12 C ATOM 371 CG2 VAL A 27 8.831 -11.511 7.659 1.00 74.41 C ATOM 0 H VAL A 27 7.664 -10.091 6.067 1.00 41.21 H new ATOM 0 HA VAL A 27 8.747 -11.874 4.253 1.00 14.45 H new ATOM 0 HB VAL A 27 9.937 -12.808 6.394 1.00 54.54 H new ATOM 0 HG11 VAL A 27 11.256 -10.746 6.525 1.00 15.12 H new ATOM 0 HG12 VAL A 27 10.834 -11.113 4.836 1.00 15.12 H new ATOM 0 HG13 VAL A 27 9.951 -9.844 5.718 1.00 15.12 H new ATOM 0 HG21 VAL A 27 9.627 -11.470 8.402 1.00 74.41 H new ATOM 0 HG22 VAL A 27 8.331 -10.544 7.610 1.00 74.41 H new ATOM 0 HG23 VAL A 27 8.110 -12.278 7.942 1.00 74.41 H new ATOM 381 N ASN A 28 6.289 -13.339 5.046 1.00 32.03 N ATOM 382 CA ASN A 28 5.449 -14.549 5.324 1.00 64.31 C ATOM 383 C ASN A 28 4.921 -14.393 6.681 1.00 34.23 C ATOM 384 O ASN A 28 5.267 -15.099 7.615 1.00 44.53 O ATOM 385 CB ASN A 28 6.071 -15.979 5.177 1.00 2.33 C ATOM 386 CG ASN A 28 6.461 -16.213 3.726 1.00 53.20 C ATOM 387 OD1 ASN A 28 6.097 -15.439 2.833 1.00 61.03 O ATOM 388 ND2 ASN A 28 7.218 -17.286 3.466 1.00 1.34 N ATOM 0 H ASN A 28 5.780 -12.582 4.589 1.00 32.03 H new ATOM 0 HA ASN A 28 4.710 -14.550 4.523 1.00 64.31 H new ATOM 0 HB2 ASN A 28 6.946 -16.075 5.820 1.00 2.33 H new ATOM 0 HB3 ASN A 28 5.354 -16.734 5.499 1.00 2.33 H new ATOM 0 HD21 ASN A 28 7.511 -17.484 2.509 1.00 1.34 H new ATOM 0 HD22 ASN A 28 7.502 -17.906 4.225 1.00 1.34 H new ATOM 395 N THR A 29 4.086 -13.388 6.768 1.00 13.03 N ATOM 396 CA THR A 29 3.386 -13.024 7.960 1.00 74.24 C ATOM 397 C THR A 29 2.101 -13.857 7.910 1.00 23.05 C ATOM 398 O THR A 29 2.010 -14.813 7.128 1.00 61.25 O ATOM 399 CB THR A 29 3.089 -11.533 7.990 1.00 13.04 C ATOM 400 OG1 THR A 29 4.254 -10.839 7.520 1.00 12.51 O ATOM 401 CG2 THR A 29 2.790 -11.071 9.434 1.00 1.23 C ATOM 0 H THR A 29 3.872 -12.782 5.976 1.00 13.03 H new ATOM 0 HA THR A 29 3.966 -13.218 8.862 1.00 74.24 H new ATOM 0 HB THR A 29 2.222 -11.322 7.364 1.00 13.04 H new ATOM 0 HG1 THR A 29 4.148 -9.878 7.677 1.00 12.51 H new ATOM 0 HG21 THR A 29 2.580 -10.002 9.438 1.00 1.23 H new ATOM 0 HG22 THR A 29 1.925 -11.612 9.817 1.00 1.23 H new ATOM 0 HG23 THR A 29 3.654 -11.273 10.067 1.00 1.23 H new ATOM 409 N SER A 30 1.109 -13.546 8.756 1.00 41.24 N ATOM 410 CA SER A 30 -0.146 -14.268 8.782 1.00 32.31 C ATOM 411 C SER A 30 -0.830 -14.209 7.415 1.00 14.00 C ATOM 412 O SER A 30 -1.653 -15.062 7.100 1.00 4.33 O ATOM 413 CB SER A 30 -1.109 -13.682 9.820 1.00 44.12 C ATOM 414 OG SER A 30 -0.443 -13.582 11.086 1.00 54.21 O ATOM 0 H SER A 30 1.165 -12.787 9.435 1.00 41.24 H new ATOM 0 HA SER A 30 0.088 -15.300 9.045 1.00 32.31 H new ATOM 0 HB2 SER A 30 -1.453 -12.699 9.499 1.00 44.12 H new ATOM 0 HB3 SER A 30 -1.992 -14.314 9.910 1.00 44.12 H new ATOM 0 HG SER A 30 -1.058 -13.206 11.750 1.00 54.21 H new ATOM 420 N VAL A 31 -0.481 -13.217 6.554 1.00 40.03 N ATOM 421 CA VAL A 31 -1.029 -13.188 5.230 1.00 32.55 C ATOM 422 C VAL A 31 -0.184 -14.143 4.381 1.00 62.24 C ATOM 423 O VAL A 31 1.055 -14.089 4.387 1.00 64.13 O ATOM 424 CB VAL A 31 -1.060 -11.795 4.620 1.00 55.11 C ATOM 425 CG1 VAL A 31 -2.159 -10.994 5.354 1.00 15.42 C ATOM 426 CG2 VAL A 31 0.334 -11.134 4.752 1.00 54.31 C ATOM 0 H VAL A 31 0.164 -12.457 6.773 1.00 40.03 H new ATOM 0 HA VAL A 31 -2.073 -13.499 5.266 1.00 32.55 H new ATOM 0 HB VAL A 31 -1.292 -11.828 3.555 1.00 55.11 H new ATOM 0 HG11 VAL A 31 -2.211 -9.986 4.942 1.00 15.42 H new ATOM 0 HG12 VAL A 31 -3.121 -11.490 5.222 1.00 15.42 H new ATOM 0 HG13 VAL A 31 -1.922 -10.940 6.416 1.00 15.42 H new ATOM 0 HG21 VAL A 31 0.307 -10.136 4.314 1.00 54.31 H new ATOM 0 HG22 VAL A 31 0.603 -11.060 5.806 1.00 54.31 H new ATOM 0 HG23 VAL A 31 1.075 -11.740 4.230 1.00 54.31 H new ATOM 436 N ARG A 32 -0.882 -15.096 3.717 1.00 4.43 N ATOM 437 CA ARG A 32 -0.262 -16.249 3.054 1.00 4.53 C ATOM 438 C ARG A 32 0.844 -15.844 2.116 1.00 50.45 C ATOM 439 O ARG A 32 1.967 -16.313 2.238 1.00 61.40 O ATOM 440 CB ARG A 32 -1.274 -17.078 2.237 1.00 72.40 C ATOM 441 CG ARG A 32 -2.442 -17.606 3.081 1.00 64.24 C ATOM 442 CD ARG A 32 -3.491 -18.374 2.253 1.00 53.11 C ATOM 443 NE ARG A 32 -3.958 -17.474 1.143 1.00 11.41 N ATOM 444 CZ ARG A 32 -4.815 -16.408 1.366 1.00 14.25 C ATOM 445 NH1 ARG A 32 -5.354 -16.187 2.604 1.00 30.45 N ATOM 446 NH2 ARG A 32 -5.109 -15.568 0.338 1.00 55.41 N ATOM 0 H ARG A 32 -1.898 -15.078 3.631 1.00 4.43 H new ATOM 0 HA ARG A 32 0.138 -16.851 3.870 1.00 4.53 H new ATOM 0 HB2 ARG A 32 -1.668 -16.464 1.427 1.00 72.40 H new ATOM 0 HB3 ARG A 32 -0.757 -17.920 1.776 1.00 72.40 H new ATOM 0 HG2 ARG A 32 -2.052 -18.262 3.859 1.00 64.24 H new ATOM 0 HG3 ARG A 32 -2.927 -16.769 3.583 1.00 64.24 H new ATOM 0 HD2 ARG A 32 -3.060 -19.289 1.846 1.00 53.11 H new ATOM 0 HD3 ARG A 32 -4.330 -18.670 2.882 1.00 53.11 H new ATOM 0 HE ARG A 32 -3.633 -17.654 0.193 1.00 11.41 H new ATOM 0 HH11 ARG A 32 -5.127 -16.811 3.378 1.00 30.45 H new ATOM 0 HH12 ARG A 32 -5.983 -15.398 2.753 1.00 30.45 H new ATOM 0 HH21 ARG A 32 -4.700 -15.727 -0.583 1.00 55.41 H new ATOM 0 HH22 ARG A 32 -5.738 -14.779 0.488 1.00 55.41 H new ATOM 460 N HIS A 33 0.537 -14.994 1.132 1.00 63.41 N ATOM 461 CA HIS A 33 1.473 -14.735 0.040 1.00 53.52 C ATOM 462 C HIS A 33 2.469 -13.701 0.486 1.00 51.03 C ATOM 463 O HIS A 33 3.268 -13.225 -0.306 1.00 24.21 O ATOM 464 CB HIS A 33 0.757 -14.194 -1.224 1.00 51.23 C ATOM 465 CG HIS A 33 1.661 -13.993 -2.420 1.00 34.35 C ATOM 466 ND1 HIS A 33 1.319 -13.157 -3.441 1.00 71.05 N ATOM 467 CD2 HIS A 33 2.840 -14.573 -2.755 1.00 23.21 C ATOM 468 CE1 HIS A 33 2.259 -13.221 -4.371 1.00 71.52 C ATOM 469 NE2 HIS A 33 3.191 -14.073 -3.974 1.00 15.55 N ATOM 0 H HIS A 33 -0.342 -14.480 1.071 1.00 63.41 H new ATOM 0 HA HIS A 33 1.956 -15.679 -0.211 1.00 53.52 H new ATOM 0 HB2 HIS A 33 -0.039 -14.886 -1.499 1.00 51.23 H new ATOM 0 HB3 HIS A 33 0.283 -13.243 -0.979 1.00 51.23 H new ATOM 0 HD2 HIS A 33 3.394 -15.292 -2.170 1.00 23.21 H new ATOM 0 HE1 HIS A 33 2.265 -12.670 -5.300 1.00 71.52 H new ATOM 0 HE2 HIS A 33 4.034 -14.316 -4.495 1.00 15.55 H new ATOM 478 N GLY A 34 2.436 -13.322 1.785 1.00 11.24 N ATOM 479 CA GLY A 34 3.313 -12.279 2.297 1.00 2.42 C ATOM 480 C GLY A 34 2.965 -10.990 1.623 1.00 33.31 C ATOM 481 O GLY A 34 3.804 -10.104 1.490 1.00 12.35 O ATOM 0 H GLY A 34 1.811 -13.728 2.482 1.00 11.24 H new ATOM 0 HA2 GLY A 34 3.198 -12.184 3.377 1.00 2.42 H new ATOM 0 HA3 GLY A 34 4.356 -12.535 2.109 1.00 2.42 H new ATOM 485 N GLY A 35 1.699 -10.877 1.148 1.00 52.40 N ATOM 486 CA GLY A 35 1.266 -9.704 0.433 1.00 14.14 C ATOM 487 C GLY A 35 1.277 -8.575 1.388 1.00 13.54 C ATOM 488 O GLY A 35 0.912 -8.736 2.543 1.00 3.12 O ATOM 0 H GLY A 35 0.982 -11.593 1.259 1.00 52.40 H new ATOM 0 HA2 GLY A 35 1.928 -9.501 -0.409 1.00 14.14 H new ATOM 0 HA3 GLY A 35 0.266 -9.851 0.024 1.00 14.14 H new ATOM 492 N ILE A 36 1.720 -7.402 0.934 1.00 42.34 N ATOM 493 CA ILE A 36 1.731 -6.265 1.789 1.00 72.02 C ATOM 494 C ILE A 36 0.340 -5.703 1.692 1.00 74.20 C ATOM 495 O ILE A 36 -0.126 -5.386 0.598 1.00 64.02 O ATOM 496 CB ILE A 36 2.729 -5.194 1.359 1.00 32.53 C ATOM 497 CG1 ILE A 36 4.097 -5.803 0.912 1.00 50.45 C ATOM 498 CG2 ILE A 36 2.860 -4.171 2.487 1.00 2.32 C ATOM 499 CD1 ILE A 36 4.776 -6.750 1.925 1.00 25.52 C ATOM 0 H ILE A 36 2.067 -7.237 -0.011 1.00 42.34 H new ATOM 0 HA ILE A 36 2.027 -6.559 2.796 1.00 72.02 H new ATOM 0 HB ILE A 36 2.357 -4.683 0.471 1.00 32.53 H new ATOM 0 HG12 ILE A 36 3.943 -6.348 -0.019 1.00 50.45 H new ATOM 0 HG13 ILE A 36 4.783 -4.985 0.693 1.00 50.45 H new ATOM 0 HG21 ILE A 36 3.571 -3.397 2.196 1.00 2.32 H new ATOM 0 HG22 ILE A 36 1.888 -3.717 2.681 1.00 2.32 H new ATOM 0 HG23 ILE A 36 3.215 -4.668 3.390 1.00 2.32 H new ATOM 0 HD11 ILE A 36 5.717 -7.113 1.510 1.00 25.52 H new ATOM 0 HD12 ILE A 36 4.972 -6.211 2.852 1.00 25.52 H new ATOM 0 HD13 ILE A 36 4.119 -7.596 2.129 1.00 25.52 H new ATOM 511 N TYR A 37 -0.374 -5.622 2.812 1.00 30.34 N ATOM 512 CA TYR A 37 -1.737 -5.155 2.779 1.00 63.13 C ATOM 513 C TYR A 37 -1.762 -3.897 3.546 1.00 15.11 C ATOM 514 O TYR A 37 -1.019 -3.731 4.505 1.00 42.15 O ATOM 515 CB TYR A 37 -2.768 -6.121 3.436 1.00 63.33 C ATOM 516 CG TYR A 37 -2.987 -7.274 2.498 1.00 0.45 C ATOM 517 CD1 TYR A 37 -2.167 -8.423 2.552 1.00 44.34 C ATOM 518 CD2 TYR A 37 -4.018 -7.218 1.529 1.00 33.13 C ATOM 519 CE1 TYR A 37 -2.354 -9.482 1.638 1.00 71.13 C ATOM 520 CE2 TYR A 37 -4.213 -8.276 0.629 1.00 10.23 C ATOM 521 CZ TYR A 37 -3.373 -9.404 0.670 1.00 22.44 C ATOM 522 OH TYR A 37 -3.551 -10.456 -0.254 1.00 74.40 O ATOM 0 H TYR A 37 -0.027 -5.873 3.738 1.00 30.34 H new ATOM 0 HA TYR A 37 -2.027 -5.057 1.733 1.00 63.13 H new ATOM 0 HB2 TYR A 37 -2.398 -6.477 4.397 1.00 63.33 H new ATOM 0 HB3 TYR A 37 -3.707 -5.602 3.628 1.00 63.33 H new ATOM 0 HD1 TYR A 37 -1.390 -8.492 3.299 1.00 44.34 H new ATOM 0 HD2 TYR A 37 -4.661 -6.352 1.482 1.00 33.13 H new ATOM 0 HE1 TYR A 37 -1.715 -10.352 1.681 1.00 71.13 H new ATOM 0 HE2 TYR A 37 -5.010 -8.225 -0.098 1.00 10.23 H new ATOM 0 HH TYR A 37 -4.298 -10.244 -0.852 1.00 74.40 H new ATOM 532 N VAL A 38 -2.624 -2.954 3.135 1.00 31.44 N ATOM 533 CA VAL A 38 -2.808 -1.736 3.883 1.00 34.53 C ATOM 534 C VAL A 38 -3.463 -2.116 5.201 1.00 73.11 C ATOM 535 O VAL A 38 -4.363 -2.967 5.242 1.00 64.32 O ATOM 536 CB VAL A 38 -3.644 -0.706 3.146 1.00 22.12 C ATOM 537 CG1 VAL A 38 -3.684 0.598 3.964 1.00 71.12 C ATOM 538 CG2 VAL A 38 -3.029 -0.503 1.741 1.00 45.54 C ATOM 0 H VAL A 38 -3.194 -3.026 2.292 1.00 31.44 H new ATOM 0 HA VAL A 38 -1.838 -1.263 4.039 1.00 34.53 H new ATOM 0 HB VAL A 38 -4.674 -1.040 3.025 1.00 22.12 H new ATOM 0 HG11 VAL A 38 -4.284 1.340 3.437 1.00 71.12 H new ATOM 0 HG12 VAL A 38 -4.126 0.401 4.941 1.00 71.12 H new ATOM 0 HG13 VAL A 38 -2.670 0.977 4.094 1.00 71.12 H new ATOM 0 HG21 VAL A 38 -3.614 0.234 1.191 1.00 45.54 H new ATOM 0 HG22 VAL A 38 -2.002 -0.151 1.841 1.00 45.54 H new ATOM 0 HG23 VAL A 38 -3.037 -1.449 1.200 1.00 45.54 H new ATOM 548 N LYS A 39 -2.949 -1.544 6.306 1.00 11.40 N ATOM 549 CA LYS A 39 -3.285 -2.005 7.638 1.00 32.23 C ATOM 550 C LYS A 39 -4.156 -0.974 8.262 1.00 45.41 C ATOM 551 O LYS A 39 -5.210 -1.278 8.827 1.00 65.03 O ATOM 552 CB LYS A 39 -2.007 -2.131 8.509 1.00 11.05 C ATOM 553 CG LYS A 39 -2.208 -2.501 9.996 1.00 11.14 C ATOM 554 CD LYS A 39 -2.656 -3.944 10.268 1.00 72.43 C ATOM 555 CE LYS A 39 -4.178 -4.173 10.214 1.00 63.03 C ATOM 556 NZ LYS A 39 -4.521 -5.552 10.640 1.00 23.34 N ATOM 0 H LYS A 39 -2.298 -0.759 6.287 1.00 11.40 H new ATOM 0 HA LYS A 39 -3.775 -2.976 7.574 1.00 32.23 H new ATOM 0 HB2 LYS A 39 -1.361 -2.883 8.057 1.00 11.05 H new ATOM 0 HB3 LYS A 39 -1.471 -1.183 8.465 1.00 11.05 H new ATOM 0 HG2 LYS A 39 -1.271 -2.325 10.525 1.00 11.14 H new ATOM 0 HG3 LYS A 39 -2.948 -1.824 10.423 1.00 11.14 H new ATOM 0 HD2 LYS A 39 -2.179 -4.600 9.540 1.00 72.43 H new ATOM 0 HD3 LYS A 39 -2.293 -4.242 11.252 1.00 72.43 H new ATOM 0 HE2 LYS A 39 -4.681 -3.453 10.859 1.00 63.03 H new ATOM 0 HE3 LYS A 39 -4.540 -4.000 9.200 1.00 63.03 H new ATOM 0 HZ1 LYS A 39 -5.552 -5.683 10.595 1.00 23.34 H new ATOM 0 HZ2 LYS A 39 -4.058 -6.236 10.008 1.00 23.34 H new ATOM 0 HZ3 LYS A 39 -4.194 -5.705 11.615 1.00 23.34 H new ATOM 570 N ALA A 40 -3.720 0.278 8.184 1.00 13.42 N ATOM 571 CA ALA A 40 -4.406 1.337 8.842 1.00 22.42 C ATOM 572 C ALA A 40 -4.329 2.465 7.917 1.00 23.31 C ATOM 573 O ALA A 40 -3.330 2.618 7.213 1.00 73.54 O ATOM 574 CB ALA A 40 -3.753 1.783 10.170 1.00 54.42 C ATOM 0 H ALA A 40 -2.890 0.566 7.665 1.00 13.42 H new ATOM 0 HA ALA A 40 -5.414 1.004 9.091 1.00 22.42 H new ATOM 0 HB1 ALA A 40 -4.336 2.593 10.608 1.00 54.42 H new ATOM 0 HB2 ALA A 40 -3.724 0.941 10.862 1.00 54.42 H new ATOM 0 HB3 ALA A 40 -2.738 2.130 9.978 1.00 54.42 H new ATOM 580 N VAL A 41 -5.386 3.263 7.876 1.00 21.41 N ATOM 581 CA VAL A 41 -5.400 4.431 7.068 1.00 42.22 C ATOM 582 C VAL A 41 -5.990 5.476 7.945 1.00 72.32 C ATOM 583 O VAL A 41 -7.008 5.244 8.596 1.00 71.11 O ATOM 584 CB VAL A 41 -6.263 4.295 5.807 1.00 22.40 C ATOM 585 CG1 VAL A 41 -6.179 5.598 4.992 1.00 55.33 C ATOM 586 CG2 VAL A 41 -5.774 3.075 5.008 1.00 35.21 C ATOM 0 H VAL A 41 -6.243 3.104 8.405 1.00 21.41 H new ATOM 0 HA VAL A 41 -4.394 4.651 6.711 1.00 42.22 H new ATOM 0 HB VAL A 41 -7.311 4.136 6.061 1.00 22.40 H new ATOM 0 HG11 VAL A 41 -6.791 5.506 4.095 1.00 55.33 H new ATOM 0 HG12 VAL A 41 -6.543 6.429 5.596 1.00 55.33 H new ATOM 0 HG13 VAL A 41 -5.143 5.783 4.707 1.00 55.33 H new ATOM 0 HG21 VAL A 41 -6.378 2.964 4.107 1.00 35.21 H new ATOM 0 HG22 VAL A 41 -4.730 3.217 4.730 1.00 35.21 H new ATOM 0 HG23 VAL A 41 -5.867 2.178 5.620 1.00 35.21 H new ATOM 596 N ILE A 42 -5.356 6.643 7.994 1.00 4.32 N ATOM 597 CA ILE A 42 -5.890 7.744 8.754 1.00 24.21 C ATOM 598 C ILE A 42 -7.081 8.265 7.960 1.00 71.01 C ATOM 599 O ILE A 42 -6.989 8.451 6.743 1.00 15.32 O ATOM 600 CB ILE A 42 -4.884 8.849 8.957 1.00 33.13 C ATOM 601 CG1 ILE A 42 -3.771 8.319 9.880 1.00 1.11 C ATOM 602 CG2 ILE A 42 -5.590 10.120 9.522 1.00 45.31 C ATOM 603 CD1 ILE A 42 -2.892 9.416 10.419 1.00 22.43 C ATOM 0 H ILE A 42 -4.477 6.841 7.516 1.00 4.32 H new ATOM 0 HA ILE A 42 -6.169 7.405 9.752 1.00 24.21 H new ATOM 0 HB ILE A 42 -4.430 9.148 8.012 1.00 33.13 H new ATOM 0 HG12 ILE A 42 -4.222 7.778 10.712 1.00 1.11 H new ATOM 0 HG13 ILE A 42 -3.158 7.605 9.330 1.00 1.11 H new ATOM 0 HG21 ILE A 42 -4.854 10.912 9.665 1.00 45.31 H new ATOM 0 HG22 ILE A 42 -6.352 10.456 8.819 1.00 45.31 H new ATOM 0 HG23 ILE A 42 -6.057 9.882 10.478 1.00 45.31 H new ATOM 0 HD11 ILE A 42 -2.126 8.985 11.063 1.00 22.43 H new ATOM 0 HD12 ILE A 42 -2.417 9.941 9.591 1.00 22.43 H new ATOM 0 HD13 ILE A 42 -3.497 10.117 10.994 1.00 22.43 H new ATOM 615 N PRO A 43 -8.221 8.501 8.650 1.00 64.22 N ATOM 616 CA PRO A 43 -9.395 9.088 8.037 1.00 51.03 C ATOM 617 C PRO A 43 -9.027 10.462 7.539 1.00 14.24 C ATOM 618 O PRO A 43 -8.711 11.346 8.361 1.00 13.34 O ATOM 619 CB PRO A 43 -10.458 9.132 9.152 1.00 3.41 C ATOM 620 CG PRO A 43 -9.649 9.036 10.460 1.00 40.41 C ATOM 621 CD PRO A 43 -8.420 8.212 10.074 1.00 23.24 C ATOM 0 HA PRO A 43 -9.777 8.528 7.183 1.00 51.03 H new ATOM 0 HB2 PRO A 43 -11.038 10.054 9.111 1.00 3.41 H new ATOM 0 HB3 PRO A 43 -11.164 8.307 9.060 1.00 3.41 H new ATOM 0 HG2 PRO A 43 -9.368 10.022 10.829 1.00 40.41 H new ATOM 0 HG3 PRO A 43 -10.223 8.551 11.250 1.00 40.41 H new ATOM 0 HD2 PRO A 43 -7.549 8.498 10.663 1.00 23.24 H new ATOM 0 HD3 PRO A 43 -8.585 7.148 10.244 1.00 23.24 H new ATOM 629 N GLN A 44 -9.042 10.630 6.201 1.00 1.13 N ATOM 630 CA GLN A 44 -8.664 11.855 5.542 1.00 72.21 C ATOM 631 C GLN A 44 -7.171 12.098 5.644 1.00 31.32 C ATOM 632 O GLN A 44 -6.716 13.207 5.417 1.00 2.13 O ATOM 633 CB GLN A 44 -9.467 13.099 5.957 1.00 11.15 C ATOM 634 CG GLN A 44 -10.962 12.937 5.632 1.00 43.31 C ATOM 635 CD GLN A 44 -11.709 14.140 6.144 1.00 24.01 C ATOM 636 OE1 GLN A 44 -12.651 13.998 6.921 1.00 11.10 O ATOM 637 NE2 GLN A 44 -11.297 15.340 5.725 1.00 31.31 N ATOM 0 H GLN A 44 -9.325 9.894 5.555 1.00 1.13 H new ATOM 0 HA GLN A 44 -8.928 11.698 4.496 1.00 72.21 H new ATOM 0 HB2 GLN A 44 -9.342 13.274 7.026 1.00 11.15 H new ATOM 0 HB3 GLN A 44 -9.074 13.976 5.442 1.00 11.15 H new ATOM 0 HG2 GLN A 44 -11.104 12.835 4.556 1.00 43.31 H new ATOM 0 HG3 GLN A 44 -11.351 12.029 6.092 1.00 43.31 H new ATOM 0 HE21 GLN A 44 -10.511 15.412 5.080 1.00 31.31 H new ATOM 0 HE22 GLN A 44 -11.769 16.184 6.051 1.00 31.31 H new ATOM 646 N GLY A 45 -6.361 11.023 5.882 1.00 0.33 N ATOM 647 CA GLY A 45 -4.928 11.102 5.622 1.00 43.14 C ATOM 648 C GLY A 45 -4.762 10.962 4.123 1.00 43.10 C ATOM 649 O GLY A 45 -5.736 11.057 3.379 1.00 71.54 O ATOM 0 H GLY A 45 -6.684 10.125 6.243 1.00 0.33 H new ATOM 0 HA2 GLY A 45 -4.521 12.051 5.972 1.00 43.14 H new ATOM 0 HA3 GLY A 45 -4.393 10.312 6.148 1.00 43.14 H new ATOM 653 N ALA A 46 -3.513 10.727 3.638 1.00 14.20 N ATOM 654 CA ALA A 46 -3.208 10.783 2.202 1.00 31.13 C ATOM 655 C ALA A 46 -4.064 9.808 1.446 1.00 72.44 C ATOM 656 O ALA A 46 -4.715 10.168 0.475 1.00 61.42 O ATOM 657 CB ALA A 46 -1.724 10.415 1.894 1.00 23.13 C ATOM 0 H ALA A 46 -2.712 10.499 4.226 1.00 14.20 H new ATOM 0 HA ALA A 46 -3.401 11.811 1.894 1.00 31.13 H new ATOM 0 HB1 ALA A 46 -1.551 10.472 0.819 1.00 23.13 H new ATOM 0 HB2 ALA A 46 -1.062 11.114 2.406 1.00 23.13 H new ATOM 0 HB3 ALA A 46 -1.521 9.402 2.241 1.00 23.13 H new ATOM 663 N ALA A 47 -4.073 8.539 1.887 1.00 22.22 N ATOM 664 CA ALA A 47 -4.720 7.483 1.114 1.00 75.14 C ATOM 665 C ALA A 47 -6.203 7.699 1.096 1.00 61.01 C ATOM 666 O ALA A 47 -6.825 7.591 0.066 1.00 10.22 O ATOM 667 CB ALA A 47 -4.449 6.069 1.661 1.00 52.12 C ATOM 0 H ALA A 47 -3.646 8.230 2.760 1.00 22.22 H new ATOM 0 HA ALA A 47 -4.295 7.541 0.112 1.00 75.14 H new ATOM 0 HB1 ALA A 47 -4.960 5.334 1.039 1.00 52.12 H new ATOM 0 HB2 ALA A 47 -3.377 5.873 1.648 1.00 52.12 H new ATOM 0 HB3 ALA A 47 -4.818 5.998 2.684 1.00 52.12 H new ATOM 673 N GLU A 48 -6.792 8.000 2.264 1.00 72.35 N ATOM 674 CA GLU A 48 -8.240 8.099 2.383 1.00 14.20 C ATOM 675 C GLU A 48 -8.722 9.362 1.682 1.00 0.33 C ATOM 676 O GLU A 48 -9.761 9.357 1.034 1.00 1.33 O ATOM 677 CB GLU A 48 -8.707 8.137 3.858 1.00 15.34 C ATOM 678 CG GLU A 48 -10.238 8.098 4.056 1.00 41.34 C ATOM 679 CD GLU A 48 -10.771 6.820 3.442 1.00 14.24 C ATOM 680 OE1 GLU A 48 -10.259 5.738 3.790 1.00 15.51 O ATOM 681 OE2 GLU A 48 -11.707 6.892 2.605 1.00 25.34 O ATOM 0 H GLU A 48 -6.284 8.177 3.131 1.00 72.35 H new ATOM 0 HA GLU A 48 -8.665 7.210 1.918 1.00 14.20 H new ATOM 0 HB2 GLU A 48 -8.265 7.292 4.386 1.00 15.34 H new ATOM 0 HB3 GLU A 48 -8.318 9.042 4.324 1.00 15.34 H new ATOM 0 HG2 GLU A 48 -10.484 8.139 5.117 1.00 41.34 H new ATOM 0 HG3 GLU A 48 -10.703 8.966 3.587 1.00 41.34 H new ATOM 688 N SER A 49 -7.965 10.475 1.804 1.00 71.15 N ATOM 689 CA SER A 49 -8.381 11.747 1.217 1.00 23.42 C ATOM 690 C SER A 49 -8.370 11.586 -0.297 1.00 2.55 C ATOM 691 O SER A 49 -9.331 11.957 -0.992 1.00 64.54 O ATOM 692 CB SER A 49 -7.425 12.920 1.615 1.00 41.52 C ATOM 693 OG SER A 49 -7.967 14.195 1.241 1.00 31.42 O ATOM 0 H SER A 49 -7.074 10.509 2.300 1.00 71.15 H new ATOM 0 HA SER A 49 -9.375 11.996 1.589 1.00 23.42 H new ATOM 0 HB2 SER A 49 -7.252 12.899 2.691 1.00 41.52 H new ATOM 0 HB3 SER A 49 -6.457 12.780 1.134 1.00 41.52 H new ATOM 0 HG SER A 49 -7.346 14.905 1.506 1.00 31.42 H new ATOM 699 N ASP A 50 -7.276 10.988 -0.817 1.00 51.22 N ATOM 700 CA ASP A 50 -7.139 10.786 -2.263 1.00 60.22 C ATOM 701 C ASP A 50 -8.162 9.731 -2.662 1.00 52.20 C ATOM 702 O ASP A 50 -8.758 9.773 -3.732 1.00 4.42 O ATOM 703 CB ASP A 50 -5.724 10.312 -2.702 1.00 53.10 C ATOM 704 CG ASP A 50 -5.502 10.657 -4.180 1.00 11.11 C ATOM 705 OD1 ASP A 50 -6.339 11.403 -4.783 1.00 54.53 O ATOM 706 OD2 ASP A 50 -4.482 10.223 -4.739 1.00 44.24 O ATOM 0 H ASP A 50 -6.492 10.645 -0.263 1.00 51.22 H new ATOM 0 HA ASP A 50 -7.300 11.745 -2.756 1.00 60.22 H new ATOM 0 HB2 ASP A 50 -4.962 10.791 -2.088 1.00 53.10 H new ATOM 0 HB3 ASP A 50 -5.626 9.237 -2.550 1.00 53.10 H new ATOM 711 N GLY A 51 -8.422 8.795 -1.732 1.00 32.52 N ATOM 712 CA GLY A 51 -9.519 7.840 -1.846 1.00 51.34 C ATOM 713 C GLY A 51 -9.144 6.684 -2.718 1.00 71.43 C ATOM 714 O GLY A 51 -9.888 5.710 -2.812 1.00 15.41 O ATOM 0 H GLY A 51 -7.871 8.686 -0.881 1.00 32.52 H new ATOM 0 HA2 GLY A 51 -9.793 7.477 -0.855 1.00 51.34 H new ATOM 0 HA3 GLY A 51 -10.397 8.339 -2.257 1.00 51.34 H new ATOM 718 N ARG A 52 -8.008 6.777 -3.418 1.00 22.01 N ATOM 719 CA ARG A 52 -7.653 5.779 -4.414 1.00 24.23 C ATOM 720 C ARG A 52 -7.307 4.470 -3.736 1.00 61.41 C ATOM 721 O ARG A 52 -7.646 3.395 -4.241 1.00 13.33 O ATOM 722 CB ARG A 52 -6.465 6.208 -5.297 1.00 61.41 C ATOM 723 CG ARG A 52 -6.634 7.631 -5.859 1.00 34.40 C ATOM 724 CD ARG A 52 -5.559 8.029 -6.890 1.00 2.40 C ATOM 725 NE ARG A 52 -5.767 7.190 -8.128 1.00 31.24 N ATOM 726 CZ ARG A 52 -6.675 7.547 -9.118 1.00 4.51 C ATOM 727 NH1 ARG A 52 -7.436 8.681 -8.995 1.00 13.31 N ATOM 728 NH2 ARG A 52 -6.807 6.756 -10.215 1.00 41.43 N ATOM 0 H ARG A 52 -7.328 7.530 -3.310 1.00 22.01 H new ATOM 0 HA ARG A 52 -8.524 5.663 -5.059 1.00 24.23 H new ATOM 0 HB2 ARG A 52 -5.546 6.158 -4.714 1.00 61.41 H new ATOM 0 HB3 ARG A 52 -6.357 5.505 -6.123 1.00 61.41 H new ATOM 0 HG2 ARG A 52 -7.617 7.713 -6.324 1.00 34.40 H new ATOM 0 HG3 ARG A 52 -6.612 8.342 -5.033 1.00 34.40 H new ATOM 0 HD2 ARG A 52 -5.636 9.089 -7.131 1.00 2.40 H new ATOM 0 HD3 ARG A 52 -4.561 7.866 -6.482 1.00 2.40 H new ATOM 0 HE ARG A 52 -5.224 6.334 -8.241 1.00 31.24 H new ATOM 0 HH11 ARG A 52 -7.339 9.273 -8.170 1.00 13.31 H new ATOM 0 HH12 ARG A 52 -8.099 8.932 -9.728 1.00 13.31 H new ATOM 0 HH21 ARG A 52 -6.243 5.911 -10.305 1.00 41.43 H new ATOM 0 HH22 ARG A 52 -7.470 7.007 -10.948 1.00 41.43 H new ATOM 742 N ILE A 53 -6.625 4.543 -2.583 1.00 3.32 N ATOM 743 CA ILE A 53 -6.205 3.345 -1.895 1.00 64.14 C ATOM 744 C ILE A 53 -6.919 3.353 -0.585 1.00 72.53 C ATOM 745 O ILE A 53 -7.094 4.407 0.018 1.00 10.30 O ATOM 746 CB ILE A 53 -4.712 3.255 -1.699 1.00 55.11 C ATOM 747 CG1 ILE A 53 -4.059 3.268 -3.090 1.00 54.54 C ATOM 748 CG2 ILE A 53 -4.356 1.974 -0.891 1.00 61.41 C ATOM 749 CD1 ILE A 53 -2.571 3.101 -3.045 1.00 35.55 C ATOM 0 H ILE A 53 -6.362 5.415 -2.124 1.00 3.32 H new ATOM 0 HA ILE A 53 -6.454 2.470 -2.495 1.00 64.14 H new ATOM 0 HB ILE A 53 -4.336 4.100 -1.122 1.00 55.11 H new ATOM 0 HG12 ILE A 53 -4.490 2.469 -3.694 1.00 54.54 H new ATOM 0 HG13 ILE A 53 -4.298 4.208 -3.588 1.00 54.54 H new ATOM 0 HG21 ILE A 53 -3.276 1.918 -0.755 1.00 61.41 H new ATOM 0 HG22 ILE A 53 -4.843 2.011 0.083 1.00 61.41 H new ATOM 0 HG23 ILE A 53 -4.699 1.094 -1.435 1.00 61.41 H new ATOM 0 HD11 ILE A 53 -2.172 3.119 -4.059 1.00 35.55 H new ATOM 0 HD12 ILE A 53 -2.131 3.914 -2.467 1.00 35.55 H new ATOM 0 HD13 ILE A 53 -2.326 2.148 -2.576 1.00 35.55 H new ATOM 761 N HIS A 54 -7.388 2.175 -0.138 1.00 40.54 N ATOM 762 CA HIS A 54 -8.078 2.079 1.118 1.00 33.03 C ATOM 763 C HIS A 54 -7.469 0.944 1.863 1.00 24.44 C ATOM 764 O HIS A 54 -6.570 0.262 1.368 1.00 21.30 O ATOM 765 CB HIS A 54 -9.600 1.825 0.991 1.00 75.10 C ATOM 766 CG HIS A 54 -10.342 3.079 0.671 1.00 32.01 C ATOM 767 ND1 HIS A 54 -10.589 3.500 -0.603 1.00 31.44 N ATOM 768 CD2 HIS A 54 -10.783 4.030 1.498 1.00 21.03 C ATOM 769 CE1 HIS A 54 -11.167 4.693 -0.533 1.00 21.30 C ATOM 770 NE2 HIS A 54 -11.284 5.029 0.741 1.00 0.43 N ATOM 0 H HIS A 54 -7.292 1.292 -0.640 1.00 40.54 H new ATOM 0 HA HIS A 54 -7.974 3.038 1.626 1.00 33.03 H new ATOM 0 HB2 HIS A 54 -9.782 1.085 0.212 1.00 75.10 H new ATOM 0 HB3 HIS A 54 -9.978 1.406 1.923 1.00 75.10 H new ATOM 0 HD2 HIS A 54 -10.746 4.005 2.577 1.00 21.03 H new ATOM 0 HE1 HIS A 54 -11.488 5.289 -1.375 1.00 21.30 H new ATOM 0 HE2 HIS A 54 -11.686 5.898 1.093 1.00 0.43 H new ATOM 779 N LYS A 55 -7.939 0.750 3.110 1.00 63.53 N ATOM 780 CA LYS A 55 -7.445 -0.274 3.996 1.00 60.25 C ATOM 781 C LYS A 55 -7.817 -1.616 3.423 1.00 60.21 C ATOM 782 O LYS A 55 -8.894 -1.773 2.838 1.00 2.13 O ATOM 783 CB LYS A 55 -8.053 -0.119 5.425 1.00 64.25 C ATOM 784 CG LYS A 55 -7.533 -1.085 6.507 1.00 61.30 C ATOM 785 CD LYS A 55 -8.347 -2.385 6.658 1.00 35.54 C ATOM 786 CE LYS A 55 -7.969 -3.168 7.921 1.00 34.01 C ATOM 787 NZ LYS A 55 -8.876 -4.310 8.149 1.00 61.10 N ATOM 0 H LYS A 55 -8.682 1.317 3.518 1.00 63.53 H new ATOM 0 HA LYS A 55 -6.362 -0.184 4.084 1.00 60.25 H new ATOM 0 HB2 LYS A 55 -7.871 0.901 5.763 1.00 64.25 H new ATOM 0 HB3 LYS A 55 -9.133 -0.242 5.350 1.00 64.25 H new ATOM 0 HG2 LYS A 55 -6.500 -1.345 6.276 1.00 61.30 H new ATOM 0 HG3 LYS A 55 -7.525 -0.565 7.465 1.00 61.30 H new ATOM 0 HD2 LYS A 55 -9.410 -2.144 6.688 1.00 35.54 H new ATOM 0 HD3 LYS A 55 -8.187 -3.014 5.782 1.00 35.54 H new ATOM 0 HE2 LYS A 55 -6.945 -3.529 7.832 1.00 34.01 H new ATOM 0 HE3 LYS A 55 -7.998 -2.503 8.784 1.00 34.01 H new ATOM 0 HZ1 LYS A 55 -8.710 -4.701 9.098 1.00 61.10 H new ATOM 0 HZ2 LYS A 55 -9.863 -3.990 8.074 1.00 61.10 H new ATOM 0 HZ3 LYS A 55 -8.695 -5.045 7.436 1.00 61.10 H new ATOM 801 N GLY A 56 -6.926 -2.628 3.584 1.00 63.51 N ATOM 802 CA GLY A 56 -7.248 -3.973 3.167 1.00 72.12 C ATOM 803 C GLY A 56 -6.765 -4.196 1.774 1.00 40.12 C ATOM 804 O GLY A 56 -6.900 -5.299 1.254 1.00 10.21 O ATOM 0 H GLY A 56 -5.999 -2.518 3.995 1.00 63.51 H new ATOM 0 HA2 GLY A 56 -6.787 -4.694 3.842 1.00 72.12 H new ATOM 0 HA3 GLY A 56 -8.325 -4.132 3.219 1.00 72.12 H new ATOM 808 N ASP A 57 -6.212 -3.146 1.110 1.00 2.10 N ATOM 809 CA ASP A 57 -5.840 -3.276 -0.298 1.00 30.00 C ATOM 810 C ASP A 57 -4.451 -3.848 -0.356 1.00 45.33 C ATOM 811 O ASP A 57 -3.713 -3.770 0.625 1.00 71.54 O ATOM 812 CB ASP A 57 -5.903 -1.933 -1.085 1.00 1.12 C ATOM 813 CG ASP A 57 -6.355 -2.193 -2.527 1.00 61.33 C ATOM 814 OD1 ASP A 57 -6.280 -3.361 -2.994 1.00 60.02 O ATOM 815 OD2 ASP A 57 -6.848 -1.224 -3.173 1.00 2.41 O ATOM 0 H ASP A 57 -6.024 -2.233 1.524 1.00 2.10 H new ATOM 0 HA ASP A 57 -6.564 -3.933 -0.780 1.00 30.00 H new ATOM 0 HB2 ASP A 57 -6.595 -1.247 -0.596 1.00 1.12 H new ATOM 0 HB3 ASP A 57 -4.924 -1.454 -1.082 1.00 1.12 H new ATOM 820 N ARG A 58 -4.097 -4.495 -1.483 1.00 32.41 N ATOM 821 CA ARG A 58 -2.863 -5.268 -1.578 1.00 52.44 C ATOM 822 C ARG A 58 -1.894 -4.447 -2.355 1.00 22.43 C ATOM 823 O ARG A 58 -2.118 -4.171 -3.517 1.00 34.02 O ATOM 824 CB ARG A 58 -3.091 -6.622 -2.344 1.00 72.33 C ATOM 825 CG ARG A 58 -1.863 -7.571 -2.512 1.00 23.25 C ATOM 826 CD ARG A 58 -0.857 -7.128 -3.606 1.00 34.13 C ATOM 827 NE ARG A 58 -0.061 -8.319 -4.074 1.00 23.33 N ATOM 828 CZ ARG A 58 1.176 -8.656 -3.552 1.00 54.21 C ATOM 829 NH1 ARG A 58 1.741 -7.917 -2.551 1.00 1.34 N ATOM 830 NH2 ARG A 58 1.840 -9.729 -4.060 1.00 73.25 N ATOM 0 H ARG A 58 -4.655 -4.492 -2.337 1.00 32.41 H new ATOM 0 HA ARG A 58 -2.502 -5.501 -0.576 1.00 52.44 H new ATOM 0 HB2 ARG A 58 -3.874 -7.174 -1.825 1.00 72.33 H new ATOM 0 HB3 ARG A 58 -3.472 -6.386 -3.338 1.00 72.33 H new ATOM 0 HG2 ARG A 58 -1.338 -7.639 -1.559 1.00 23.25 H new ATOM 0 HG3 ARG A 58 -2.223 -8.572 -2.750 1.00 23.25 H new ATOM 0 HD2 ARG A 58 -1.390 -6.682 -4.445 1.00 34.13 H new ATOM 0 HD3 ARG A 58 -0.188 -6.363 -3.211 1.00 34.13 H new ATOM 0 HE ARG A 58 -0.453 -8.905 -4.811 1.00 23.33 H new ATOM 0 HH11 ARG A 58 1.250 -7.104 -2.178 1.00 1.34 H new ATOM 0 HH12 ARG A 58 2.653 -8.178 -2.177 1.00 1.34 H new ATOM 0 HH21 ARG A 58 1.426 -10.274 -4.816 1.00 73.25 H new ATOM 0 HH22 ARG A 58 2.752 -9.989 -3.685 1.00 73.25 H new ATOM 844 N VAL A 59 -0.759 -4.082 -1.735 1.00 54.10 N ATOM 845 CA VAL A 59 0.265 -3.332 -2.417 1.00 12.44 C ATOM 846 C VAL A 59 1.342 -4.338 -2.730 1.00 3.54 C ATOM 847 O VAL A 59 1.589 -5.248 -1.937 1.00 52.24 O ATOM 848 CB VAL A 59 0.865 -2.215 -1.554 1.00 54.32 C ATOM 849 CG1 VAL A 59 1.792 -1.329 -2.432 1.00 24.13 C ATOM 850 CG2 VAL A 59 -0.297 -1.415 -0.917 1.00 64.11 C ATOM 0 H VAL A 59 -0.544 -4.303 -0.763 1.00 54.10 H new ATOM 0 HA VAL A 59 -0.155 -2.844 -3.296 1.00 12.44 H new ATOM 0 HB VAL A 59 1.479 -2.618 -0.748 1.00 54.32 H new ATOM 0 HG11 VAL A 59 2.220 -0.534 -1.822 1.00 24.13 H new ATOM 0 HG12 VAL A 59 2.594 -1.940 -2.846 1.00 24.13 H new ATOM 0 HG13 VAL A 59 1.213 -0.891 -3.245 1.00 24.13 H new ATOM 0 HG21 VAL A 59 0.109 -0.615 -0.298 1.00 64.11 H new ATOM 0 HG22 VAL A 59 -0.918 -0.986 -1.704 1.00 64.11 H new ATOM 0 HG23 VAL A 59 -0.901 -2.080 -0.300 1.00 64.11 H new ATOM 860 N LEU A 60 1.967 -4.224 -3.911 1.00 71.04 N ATOM 861 CA LEU A 60 3.059 -5.119 -4.254 1.00 62.30 C ATOM 862 C LEU A 60 4.276 -4.289 -4.447 1.00 34.34 C ATOM 863 O LEU A 60 5.350 -4.628 -3.947 1.00 40.13 O ATOM 864 CB LEU A 60 2.856 -5.997 -5.521 1.00 23.21 C ATOM 865 CG LEU A 60 2.091 -5.359 -6.682 1.00 43.31 C ATOM 866 CD1 LEU A 60 2.513 -5.954 -8.011 1.00 52.15 C ATOM 867 CD2 LEU A 60 0.583 -5.453 -6.496 1.00 64.31 C ATOM 0 H LEU A 60 1.735 -3.533 -4.625 1.00 71.04 H new ATOM 0 HA LEU A 60 3.132 -5.828 -3.430 1.00 62.30 H new ATOM 0 HB2 LEU A 60 3.837 -6.301 -5.886 1.00 23.21 H new ATOM 0 HB3 LEU A 60 2.331 -6.905 -5.225 1.00 23.21 H new ATOM 0 HG LEU A 60 2.349 -4.300 -6.687 1.00 43.31 H new ATOM 0 HD11 LEU A 60 1.952 -5.480 -8.816 1.00 52.15 H new ATOM 0 HD12 LEU A 60 3.579 -5.785 -8.163 1.00 52.15 H new ATOM 0 HD13 LEU A 60 2.312 -7.025 -8.010 1.00 52.15 H new ATOM 0 HD21 LEU A 60 0.082 -4.987 -7.344 1.00 64.31 H new ATOM 0 HD22 LEU A 60 0.289 -6.501 -6.432 1.00 64.31 H new ATOM 0 HD23 LEU A 60 0.297 -4.939 -5.579 1.00 64.31 H new ATOM 879 N ALA A 61 4.151 -3.176 -5.180 1.00 74.14 N ATOM 880 CA ALA A 61 5.331 -2.402 -5.469 1.00 14.14 C ATOM 881 C ALA A 61 5.085 -0.987 -5.123 1.00 63.32 C ATOM 882 O ALA A 61 3.946 -0.527 -5.010 1.00 10.43 O ATOM 883 CB ALA A 61 5.787 -2.458 -6.941 1.00 75.44 C ATOM 0 H ALA A 61 3.278 -2.814 -5.563 1.00 74.14 H new ATOM 0 HA ALA A 61 6.126 -2.845 -4.870 1.00 14.14 H new ATOM 0 HB1 ALA A 61 6.681 -1.848 -7.068 1.00 75.44 H new ATOM 0 HB2 ALA A 61 6.010 -3.489 -7.214 1.00 75.44 H new ATOM 0 HB3 ALA A 61 4.993 -2.076 -7.583 1.00 75.44 H new ATOM 889 N VAL A 62 6.207 -0.291 -4.913 1.00 14.54 N ATOM 890 CA VAL A 62 6.219 1.067 -4.472 1.00 23.45 C ATOM 891 C VAL A 62 7.312 1.713 -5.258 1.00 43.04 C ATOM 892 O VAL A 62 8.464 1.453 -5.043 1.00 55.40 O ATOM 893 CB VAL A 62 6.501 1.235 -2.984 1.00 74.44 C ATOM 894 CG1 VAL A 62 6.477 2.741 -2.635 1.00 32.03 C ATOM 895 CG2 VAL A 62 5.443 0.423 -2.195 1.00 41.52 C ATOM 0 H VAL A 62 7.138 -0.682 -5.053 1.00 14.54 H new ATOM 0 HA VAL A 62 5.235 1.509 -4.625 1.00 23.45 H new ATOM 0 HB VAL A 62 7.487 0.856 -2.714 1.00 74.44 H new ATOM 0 HG11 VAL A 62 6.678 2.871 -1.572 1.00 32.03 H new ATOM 0 HG12 VAL A 62 7.240 3.261 -3.215 1.00 32.03 H new ATOM 0 HG13 VAL A 62 5.497 3.154 -2.872 1.00 32.03 H new ATOM 0 HG21 VAL A 62 5.626 0.529 -1.126 1.00 41.52 H new ATOM 0 HG22 VAL A 62 4.447 0.797 -2.431 1.00 41.52 H new ATOM 0 HG23 VAL A 62 5.511 -0.629 -2.472 1.00 41.52 H new ATOM 905 N ASN A 63 6.920 2.540 -6.222 1.00 33.20 N ATOM 906 CA ASN A 63 7.807 3.171 -7.213 1.00 41.44 C ATOM 907 C ASN A 63 8.793 2.166 -7.790 1.00 35.44 C ATOM 908 O ASN A 63 9.986 2.443 -7.949 1.00 52.12 O ATOM 909 CB ASN A 63 8.545 4.447 -6.722 1.00 54.34 C ATOM 910 CG ASN A 63 8.925 5.272 -7.955 1.00 54.52 C ATOM 911 OD1 ASN A 63 8.070 5.550 -8.803 1.00 31.54 O ATOM 912 ND2 ASN A 63 10.197 5.670 -8.070 1.00 32.10 N ATOM 0 H ASN A 63 5.942 2.803 -6.345 1.00 33.20 H new ATOM 0 HA ASN A 63 7.136 3.516 -7.999 1.00 41.44 H new ATOM 0 HB2 ASN A 63 7.905 5.027 -6.057 1.00 54.34 H new ATOM 0 HB3 ASN A 63 9.435 4.178 -6.153 1.00 54.34 H new ATOM 0 HD21 ASN A 63 10.488 6.221 -8.877 1.00 32.10 H new ATOM 0 HD22 ASN A 63 10.876 5.422 -7.350 1.00 32.10 H new ATOM 919 N GLY A 64 8.286 0.965 -8.121 1.00 2.35 N ATOM 920 CA GLY A 64 9.090 -0.036 -8.791 1.00 12.34 C ATOM 921 C GLY A 64 9.950 -0.762 -7.791 1.00 11.41 C ATOM 922 O GLY A 64 10.830 -1.521 -8.176 1.00 64.20 O ATOM 0 H GLY A 64 7.326 0.678 -7.930 1.00 2.35 H new ATOM 0 HA2 GLY A 64 8.445 -0.745 -9.310 1.00 12.34 H new ATOM 0 HA3 GLY A 64 9.717 0.436 -9.547 1.00 12.34 H new ATOM 926 N VAL A 65 9.716 -0.568 -6.475 1.00 2.31 N ATOM 927 CA VAL A 65 10.479 -1.269 -5.507 1.00 1.22 C ATOM 928 C VAL A 65 9.629 -2.413 -5.178 1.00 22.55 C ATOM 929 O VAL A 65 8.497 -2.248 -4.721 1.00 21.24 O ATOM 930 CB VAL A 65 10.760 -0.477 -4.228 1.00 0.21 C ATOM 931 CG1 VAL A 65 11.570 -1.357 -3.241 1.00 60.01 C ATOM 932 CG2 VAL A 65 11.511 0.807 -4.622 1.00 75.11 C ATOM 0 H VAL A 65 9.010 0.064 -6.097 1.00 2.31 H new ATOM 0 HA VAL A 65 11.464 -1.511 -5.905 1.00 1.22 H new ATOM 0 HB VAL A 65 9.837 -0.197 -3.720 1.00 0.21 H new ATOM 0 HG11 VAL A 65 11.770 -0.793 -2.330 1.00 60.01 H new ATOM 0 HG12 VAL A 65 10.996 -2.251 -2.995 1.00 60.01 H new ATOM 0 HG13 VAL A 65 12.514 -1.647 -3.703 1.00 60.01 H new ATOM 0 HG21 VAL A 65 11.725 1.392 -3.728 1.00 75.11 H new ATOM 0 HG22 VAL A 65 12.446 0.544 -5.116 1.00 75.11 H new ATOM 0 HG23 VAL A 65 10.894 1.395 -5.302 1.00 75.11 H new ATOM 942 N SER A 66 10.119 -3.603 -5.454 1.00 22.42 N ATOM 943 CA SER A 66 9.397 -4.768 -5.133 1.00 53.42 C ATOM 944 C SER A 66 9.527 -4.963 -3.658 1.00 42.22 C ATOM 945 O SER A 66 10.613 -5.201 -3.142 1.00 33.12 O ATOM 946 CB SER A 66 9.922 -6.020 -5.858 1.00 74.30 C ATOM 947 OG SER A 66 9.928 -5.797 -7.279 1.00 34.25 O ATOM 0 H SER A 66 11.021 -3.766 -5.902 1.00 22.42 H new ATOM 0 HA SER A 66 8.362 -4.640 -5.450 1.00 53.42 H new ATOM 0 HB2 SER A 66 10.929 -6.255 -5.514 1.00 74.30 H new ATOM 0 HB3 SER A 66 9.295 -6.879 -5.619 1.00 74.30 H new ATOM 0 HG SER A 66 10.265 -6.597 -7.734 1.00 34.25 H new ATOM 953 N LEU A 67 8.400 -4.845 -2.960 1.00 61.13 N ATOM 954 CA LEU A 67 8.351 -5.086 -1.516 1.00 24.31 C ATOM 955 C LEU A 67 8.131 -6.575 -1.306 1.00 54.44 C ATOM 956 O LEU A 67 7.577 -7.003 -0.295 1.00 24.20 O ATOM 957 CB LEU A 67 7.196 -4.327 -0.815 1.00 51.34 C ATOM 958 CG LEU A 67 7.539 -2.871 -0.410 1.00 74.52 C ATOM 959 CD1 LEU A 67 8.584 -2.802 0.723 1.00 31.14 C ATOM 960 CD2 LEU A 67 7.909 -1.969 -1.590 1.00 63.34 C ATOM 0 H LEU A 67 7.504 -4.583 -3.371 1.00 61.13 H new ATOM 0 HA LEU A 67 9.287 -4.731 -1.084 1.00 24.31 H new ATOM 0 HB2 LEU A 67 6.332 -4.312 -1.479 1.00 51.34 H new ATOM 0 HB3 LEU A 67 6.903 -4.880 0.077 1.00 51.34 H new ATOM 0 HG LEU A 67 6.609 -2.464 -0.013 1.00 74.52 H new ATOM 0 HD11 LEU A 67 8.787 -1.759 0.967 1.00 31.14 H new ATOM 0 HD12 LEU A 67 8.198 -3.313 1.605 1.00 31.14 H new ATOM 0 HD13 LEU A 67 9.506 -3.285 0.398 1.00 31.14 H new ATOM 0 HD21 LEU A 67 8.135 -0.967 -1.225 1.00 63.34 H new ATOM 0 HD22 LEU A 67 8.783 -2.376 -2.099 1.00 63.34 H new ATOM 0 HD23 LEU A 67 7.073 -1.921 -2.287 1.00 63.34 H new ATOM 972 N GLU A 68 8.604 -7.399 -2.255 1.00 44.10 N ATOM 973 CA GLU A 68 8.493 -8.823 -2.135 1.00 43.14 C ATOM 974 C GLU A 68 9.525 -9.265 -1.132 1.00 21.13 C ATOM 975 O GLU A 68 10.724 -9.014 -1.302 1.00 50.52 O ATOM 976 CB GLU A 68 8.783 -9.559 -3.462 1.00 24.23 C ATOM 977 CG GLU A 68 7.829 -9.167 -4.601 1.00 1.20 C ATOM 978 CD GLU A 68 8.272 -9.894 -5.853 1.00 35.13 C ATOM 979 OE1 GLU A 68 9.462 -9.798 -6.210 1.00 31.34 O ATOM 980 OE2 GLU A 68 7.430 -10.557 -6.488 1.00 24.12 O ATOM 0 H GLU A 68 9.065 -7.082 -3.108 1.00 44.10 H new ATOM 0 HA GLU A 68 7.472 -9.063 -1.838 1.00 43.14 H new ATOM 0 HB2 GLU A 68 9.808 -9.349 -3.768 1.00 24.23 H new ATOM 0 HB3 GLU A 68 8.714 -10.634 -3.295 1.00 24.23 H new ATOM 0 HG2 GLU A 68 6.803 -9.434 -4.348 1.00 1.20 H new ATOM 0 HG3 GLU A 68 7.848 -8.089 -4.760 1.00 1.20 H new ATOM 987 N GLY A 69 9.080 -9.931 -0.073 1.00 43.43 N ATOM 988 CA GLY A 69 9.991 -10.484 0.919 1.00 22.12 C ATOM 989 C GLY A 69 10.434 -9.419 1.899 1.00 32.20 C ATOM 990 O GLY A 69 11.079 -9.738 2.898 1.00 12.01 O ATOM 0 H GLY A 69 8.093 -10.101 0.120 1.00 43.43 H new ATOM 0 HA2 GLY A 69 9.501 -11.296 1.456 1.00 22.12 H new ATOM 0 HA3 GLY A 69 10.862 -10.910 0.421 1.00 22.12 H new ATOM 994 N ALA A 70 10.125 -8.116 1.638 1.00 30.32 N ATOM 995 CA ALA A 70 10.498 -7.063 2.570 1.00 73.43 C ATOM 996 C ALA A 70 9.656 -7.227 3.800 1.00 52.43 C ATOM 997 O ALA A 70 8.649 -7.919 3.774 1.00 5.23 O ATOM 998 CB ALA A 70 10.272 -5.640 2.023 1.00 24.24 C ATOM 0 H ALA A 70 9.630 -7.796 0.805 1.00 30.32 H new ATOM 0 HA ALA A 70 11.566 -7.163 2.764 1.00 73.43 H new ATOM 0 HB1 ALA A 70 10.573 -4.909 2.774 1.00 24.24 H new ATOM 0 HB2 ALA A 70 10.866 -5.498 1.120 1.00 24.24 H new ATOM 0 HB3 ALA A 70 9.217 -5.504 1.787 1.00 24.24 H new ATOM 1004 N THR A 71 10.084 -6.626 4.918 1.00 13.20 N ATOM 1005 CA THR A 71 9.373 -6.818 6.152 1.00 54.55 C ATOM 1006 C THR A 71 8.191 -5.864 6.178 1.00 64.12 C ATOM 1007 O THR A 71 8.090 -4.939 5.358 1.00 24.52 O ATOM 1008 CB THR A 71 10.230 -6.626 7.397 1.00 72.45 C ATOM 1009 OG1 THR A 71 10.726 -5.295 7.486 1.00 41.14 O ATOM 1010 CG2 THR A 71 11.418 -7.607 7.322 1.00 11.33 C ATOM 0 H THR A 71 10.902 -6.019 4.977 1.00 13.20 H new ATOM 0 HA THR A 71 9.046 -7.857 6.181 1.00 54.55 H new ATOM 0 HB THR A 71 9.619 -6.816 8.279 1.00 72.45 H new ATOM 0 HG1 THR A 71 11.270 -5.202 8.296 1.00 41.14 H new ATOM 0 HG21 THR A 71 12.046 -7.486 8.205 1.00 11.33 H new ATOM 0 HG22 THR A 71 11.043 -8.630 7.280 1.00 11.33 H new ATOM 0 HG23 THR A 71 12.006 -7.399 6.428 1.00 11.33 H new ATOM 1018 N HIS A 72 7.266 -6.094 7.134 1.00 34.12 N ATOM 1019 CA HIS A 72 6.081 -5.280 7.245 1.00 42.25 C ATOM 1020 C HIS A 72 6.477 -3.883 7.645 1.00 11.14 C ATOM 1021 O HIS A 72 5.968 -2.917 7.104 1.00 43.11 O ATOM 1022 CB HIS A 72 5.012 -5.832 8.213 1.00 11.22 C ATOM 1023 CG HIS A 72 5.420 -5.956 9.666 1.00 23.34 C ATOM 1024 ND1 HIS A 72 5.068 -5.029 10.614 1.00 64.11 N ATOM 1025 CD2 HIS A 72 6.043 -6.962 10.308 1.00 43.51 C ATOM 1026 CE1 HIS A 72 5.484 -5.475 11.804 1.00 3.13 C ATOM 1027 NE2 HIS A 72 6.072 -6.643 11.630 1.00 64.34 N ATOM 0 H HIS A 72 7.335 -6.838 7.828 1.00 34.12 H new ATOM 0 HA HIS A 72 5.608 -5.287 6.263 1.00 42.25 H new ATOM 0 HB2 HIS A 72 4.135 -5.187 8.158 1.00 11.22 H new ATOM 0 HB3 HIS A 72 4.706 -6.816 7.859 1.00 11.22 H new ATOM 0 HD2 HIS A 72 6.445 -7.857 9.857 1.00 43.51 H new ATOM 0 HE1 HIS A 72 5.360 -4.965 12.748 1.00 3.13 H new ATOM 0 HE2 HIS A 72 6.482 -7.215 12.368 1.00 64.34 H new ATOM 1036 N LYS A 73 7.434 -3.749 8.593 1.00 23.32 N ATOM 1037 CA LYS A 73 7.928 -2.434 8.975 1.00 73.31 C ATOM 1038 C LYS A 73 8.619 -1.772 7.803 1.00 14.13 C ATOM 1039 O LYS A 73 8.460 -0.573 7.629 1.00 65.40 O ATOM 1040 CB LYS A 73 8.904 -2.448 10.168 1.00 43.13 C ATOM 1041 CG LYS A 73 8.220 -2.594 11.547 1.00 5.53 C ATOM 1042 CD LYS A 73 7.811 -1.243 12.211 1.00 1.15 C ATOM 1043 CE LYS A 73 6.584 -0.504 11.608 1.00 5.43 C ATOM 1044 NZ LYS A 73 5.342 -1.287 11.793 1.00 13.24 N ATOM 0 H LYS A 73 7.864 -4.528 9.091 1.00 23.32 H new ATOM 0 HA LYS A 73 7.045 -1.875 9.285 1.00 73.31 H new ATOM 0 HB2 LYS A 73 9.609 -3.269 10.036 1.00 43.13 H new ATOM 0 HB3 LYS A 73 9.484 -1.525 10.159 1.00 43.13 H new ATOM 0 HG2 LYS A 73 7.330 -3.213 11.434 1.00 5.53 H new ATOM 0 HG3 LYS A 73 8.894 -3.125 12.219 1.00 5.53 H new ATOM 0 HD2 LYS A 73 7.609 -1.431 13.265 1.00 1.15 H new ATOM 0 HD3 LYS A 73 8.667 -0.570 12.166 1.00 1.15 H new ATOM 0 HE2 LYS A 73 6.475 0.472 12.081 1.00 5.43 H new ATOM 0 HE3 LYS A 73 6.750 -0.326 10.545 1.00 5.43 H new ATOM 0 HZ1 LYS A 73 4.577 -0.656 12.105 1.00 13.24 H new ATOM 0 HZ2 LYS A 73 5.076 -1.734 10.892 1.00 13.24 H new ATOM 0 HZ3 LYS A 73 5.499 -2.022 12.511 1.00 13.24 H new ATOM 1058 N GLN A 74 9.387 -2.516 6.948 1.00 50.43 N ATOM 1059 CA GLN A 74 10.066 -1.868 5.817 1.00 61.22 C ATOM 1060 C GLN A 74 9.037 -1.347 4.857 1.00 5.34 C ATOM 1061 O GLN A 74 9.224 -0.290 4.272 1.00 14.23 O ATOM 1062 CB GLN A 74 11.012 -2.798 5.027 1.00 55.11 C ATOM 1063 CG GLN A 74 12.322 -3.091 5.772 1.00 4.01 C ATOM 1064 CD GLN A 74 13.143 -4.025 4.902 1.00 34.02 C ATOM 1065 OE1 GLN A 74 12.639 -5.036 4.414 1.00 75.24 O ATOM 1066 NE2 GLN A 74 14.423 -3.688 4.678 1.00 34.31 N ATOM 0 H GLN A 74 9.538 -3.522 7.027 1.00 50.43 H new ATOM 0 HA GLN A 74 10.675 -1.076 6.252 1.00 61.22 H new ATOM 0 HB2 GLN A 74 10.500 -3.738 4.820 1.00 55.11 H new ATOM 0 HB3 GLN A 74 11.242 -2.341 4.064 1.00 55.11 H new ATOM 0 HG2 GLN A 74 12.868 -2.168 5.965 1.00 4.01 H new ATOM 0 HG3 GLN A 74 12.118 -3.549 6.740 1.00 4.01 H new ATOM 0 HE21 GLN A 74 14.809 -2.843 5.098 1.00 34.31 H new ATOM 0 HE22 GLN A 74 15.010 -4.277 4.087 1.00 34.31 H new ATOM 1075 N ALA A 75 7.910 -2.070 4.683 1.00 12.04 N ATOM 1076 CA ALA A 75 6.834 -1.603 3.812 1.00 71.23 C ATOM 1077 C ALA A 75 6.363 -0.228 4.280 1.00 65.00 C ATOM 1078 O ALA A 75 6.038 0.635 3.468 1.00 75.14 O ATOM 1079 CB ALA A 75 5.632 -2.552 3.798 1.00 2.40 C ATOM 0 H ALA A 75 7.732 -2.968 5.133 1.00 12.04 H new ATOM 0 HA ALA A 75 7.238 -1.559 2.801 1.00 71.23 H new ATOM 0 HB1 ALA A 75 4.863 -2.156 3.135 1.00 2.40 H new ATOM 0 HB2 ALA A 75 5.947 -3.533 3.443 1.00 2.40 H new ATOM 0 HB3 ALA A 75 5.229 -2.644 4.807 1.00 2.40 H new ATOM 1085 N VAL A 76 6.368 0.009 5.618 1.00 52.13 N ATOM 1086 CA VAL A 76 5.948 1.293 6.165 1.00 51.41 C ATOM 1087 C VAL A 76 7.030 2.299 5.832 1.00 51.43 C ATOM 1088 O VAL A 76 6.744 3.360 5.272 1.00 70.45 O ATOM 1089 CB VAL A 76 5.749 1.278 7.688 1.00 70.14 C ATOM 1090 CG1 VAL A 76 5.260 2.673 8.154 1.00 0.43 C ATOM 1091 CG2 VAL A 76 4.758 0.153 8.041 1.00 51.43 C ATOM 0 H VAL A 76 6.658 -0.674 6.318 1.00 52.13 H new ATOM 0 HA VAL A 76 4.982 1.544 5.726 1.00 51.41 H new ATOM 0 HB VAL A 76 6.685 1.076 8.209 1.00 70.14 H new ATOM 0 HG11 VAL A 76 5.118 2.666 9.235 1.00 0.43 H new ATOM 0 HG12 VAL A 76 6.003 3.426 7.891 1.00 0.43 H new ATOM 0 HG13 VAL A 76 4.315 2.909 7.665 1.00 0.43 H new ATOM 0 HG21 VAL A 76 4.605 0.128 9.120 1.00 51.43 H new ATOM 0 HG22 VAL A 76 3.806 0.338 7.544 1.00 51.43 H new ATOM 0 HG23 VAL A 76 5.161 -0.804 7.710 1.00 51.43 H new ATOM 1101 N CYS A 77 8.317 1.972 6.216 1.00 73.31 N ATOM 1102 CA CYS A 77 9.458 2.966 6.065 1.00 73.25 C ATOM 1103 C CYS A 77 9.506 3.428 4.605 1.00 44.31 C ATOM 1104 O CYS A 77 10.084 4.420 4.265 1.00 3.15 O ATOM 1105 CB CYS A 77 10.828 2.332 6.389 1.00 75.32 C ATOM 1106 SG CYS A 77 10.882 1.628 8.067 1.00 72.01 S ATOM 0 H CYS A 77 8.586 1.072 6.614 1.00 73.31 H new ATOM 0 HA CYS A 77 9.277 3.787 6.758 1.00 73.25 H new ATOM 0 HB2 CYS A 77 11.045 1.550 5.662 1.00 75.32 H new ATOM 0 HB3 CYS A 77 11.608 3.086 6.288 1.00 75.32 H new ATOM 1111 N THR A 78 9.069 2.535 3.701 1.00 1.22 N ATOM 1112 CA THR A 78 9.171 2.783 2.283 1.00 21.23 C ATOM 1113 C THR A 78 8.281 3.965 1.972 1.00 11.24 C ATOM 1114 O THR A 78 8.737 4.951 1.422 1.00 14.24 O ATOM 1115 CB THR A 78 8.773 1.582 1.444 1.00 73.23 C ATOM 1116 OG1 THR A 78 9.615 0.474 1.779 1.00 55.44 O ATOM 1117 CG2 THR A 78 8.957 1.924 -0.051 1.00 23.53 C ATOM 0 H THR A 78 8.644 1.640 3.943 1.00 1.22 H new ATOM 0 HA THR A 78 10.211 2.988 2.030 1.00 21.23 H new ATOM 0 HB THR A 78 7.732 1.326 1.639 1.00 73.23 H new ATOM 0 HG1 THR A 78 9.636 0.361 2.752 1.00 55.44 H new ATOM 0 HG21 THR A 78 8.673 1.065 -0.658 1.00 23.53 H new ATOM 0 HG22 THR A 78 8.328 2.776 -0.310 1.00 23.53 H new ATOM 0 HG23 THR A 78 10.001 2.173 -0.241 1.00 23.53 H new ATOM 1125 N LEU A 79 6.993 3.886 2.384 1.00 24.45 N ATOM 1126 CA LEU A 79 6.032 4.974 2.182 1.00 41.22 C ATOM 1127 C LEU A 79 6.591 6.249 2.792 1.00 52.12 C ATOM 1128 O LEU A 79 6.720 7.255 2.114 1.00 30.11 O ATOM 1129 CB LEU A 79 4.647 4.689 2.812 1.00 22.03 C ATOM 1130 CG LEU A 79 3.988 3.387 2.291 1.00 60.32 C ATOM 1131 CD1 LEU A 79 2.641 3.097 2.980 1.00 23.21 C ATOM 1132 CD2 LEU A 79 3.887 3.331 0.746 1.00 54.34 C ATOM 0 H LEU A 79 6.603 3.072 2.860 1.00 24.45 H new ATOM 0 HA LEU A 79 5.886 5.074 1.106 1.00 41.22 H new ATOM 0 HB2 LEU A 79 4.755 4.624 3.895 1.00 22.03 H new ATOM 0 HB3 LEU A 79 3.984 5.530 2.608 1.00 22.03 H new ATOM 0 HG LEU A 79 4.663 2.579 2.572 1.00 60.32 H new ATOM 0 HD11 LEU A 79 2.219 2.175 2.581 1.00 23.21 H new ATOM 0 HD12 LEU A 79 2.797 2.990 4.053 1.00 23.21 H new ATOM 0 HD13 LEU A 79 1.952 3.921 2.794 1.00 23.21 H new ATOM 0 HD21 LEU A 79 3.417 2.395 0.446 1.00 54.34 H new ATOM 0 HD22 LEU A 79 3.287 4.169 0.390 1.00 54.34 H new ATOM 0 HD23 LEU A 79 4.886 3.390 0.314 1.00 54.34 H new ATOM 1144 N ARG A 80 6.946 6.192 4.090 1.00 33.12 N ATOM 1145 CA ARG A 80 7.574 7.345 4.794 1.00 40.33 C ATOM 1146 C ARG A 80 8.705 7.962 3.955 1.00 13.54 C ATOM 1147 O ARG A 80 8.833 9.181 3.891 1.00 20.45 O ATOM 1148 CB ARG A 80 8.177 6.983 6.180 1.00 11.12 C ATOM 1149 CG ARG A 80 7.164 6.362 7.157 1.00 61.41 C ATOM 1150 CD ARG A 80 7.741 6.098 8.565 1.00 44.11 C ATOM 1151 NE ARG A 80 8.070 7.424 9.208 1.00 54.32 N ATOM 1152 CZ ARG A 80 8.594 7.510 10.493 1.00 14.35 C ATOM 1153 NH1 ARG A 80 8.905 6.386 11.198 1.00 13.25 N ATOM 1154 NH2 ARG A 80 8.796 8.733 11.049 1.00 41.11 N ATOM 0 H ARG A 80 6.813 5.368 4.676 1.00 33.12 H new ATOM 0 HA ARG A 80 6.756 8.050 4.941 1.00 40.33 H new ATOM 0 HB2 ARG A 80 9.002 6.286 6.035 1.00 11.12 H new ATOM 0 HB3 ARG A 80 8.596 7.883 6.630 1.00 11.12 H new ATOM 0 HG2 ARG A 80 6.304 7.026 7.245 1.00 61.41 H new ATOM 0 HG3 ARG A 80 6.800 5.422 6.741 1.00 61.41 H new ATOM 0 HD2 ARG A 80 7.020 5.552 9.173 1.00 44.11 H new ATOM 0 HD3 ARG A 80 8.635 5.478 8.497 1.00 44.11 H new ATOM 0 HE ARG A 80 7.903 8.283 8.684 1.00 54.32 H new ATOM 0 HH11 ARG A 80 8.754 5.466 10.784 1.00 13.25 H new ATOM 0 HH12 ARG A 80 9.289 6.465 12.140 1.00 13.25 H new ATOM 0 HH21 ARG A 80 8.564 9.576 10.524 1.00 41.11 H new ATOM 0 HH22 ARG A 80 9.180 8.808 11.991 1.00 41.11 H new ATOM 1168 N ASN A 81 9.531 7.132 3.303 1.00 21.33 N ATOM 1169 CA ASN A 81 10.699 7.651 2.589 1.00 23.12 C ATOM 1170 C ASN A 81 10.346 8.000 1.148 1.00 5.41 C ATOM 1171 O ASN A 81 11.201 8.530 0.439 1.00 25.24 O ATOM 1172 CB ASN A 81 11.893 6.656 2.543 1.00 63.43 C ATOM 1173 CG ASN A 81 12.452 6.495 3.961 1.00 10.30 C ATOM 1174 OD1 ASN A 81 12.398 7.424 4.780 1.00 24.43 O ATOM 1175 ND2 ASN A 81 12.999 5.309 4.277 1.00 51.22 N ATOM 0 H ASN A 81 9.414 6.120 3.257 1.00 21.33 H new ATOM 0 HA ASN A 81 11.001 8.534 3.152 1.00 23.12 H new ATOM 0 HB2 ASN A 81 11.567 5.692 2.154 1.00 63.43 H new ATOM 0 HB3 ASN A 81 12.668 7.026 1.871 1.00 63.43 H new ATOM 0 HD21 ASN A 81 13.383 5.157 5.210 1.00 51.22 H new ATOM 0 HD22 ASN A 81 13.031 4.561 3.584 1.00 51.22 H new ATOM 1182 N THR A 82 9.100 7.743 0.666 1.00 73.53 N ATOM 1183 CA THR A 82 8.787 8.044 -0.747 1.00 15.24 C ATOM 1184 C THR A 82 8.468 9.517 -0.867 1.00 35.44 C ATOM 1185 O THR A 82 8.310 10.227 0.141 1.00 14.25 O ATOM 1186 CB THR A 82 7.622 7.251 -1.349 1.00 62.30 C ATOM 1187 OG1 THR A 82 6.484 7.244 -0.480 1.00 62.42 O ATOM 1188 CG2 THR A 82 8.068 5.821 -1.670 1.00 44.34 C ATOM 0 H THR A 82 8.333 7.347 1.209 1.00 73.53 H new ATOM 0 HA THR A 82 9.672 7.749 -1.311 1.00 15.24 H new ATOM 0 HB THR A 82 7.322 7.744 -2.274 1.00 62.30 H new ATOM 0 HG1 THR A 82 6.750 6.917 0.405 1.00 62.42 H new ATOM 0 HG21 THR A 82 7.232 5.267 -2.097 1.00 44.34 H new ATOM 0 HG22 THR A 82 8.889 5.848 -2.386 1.00 44.34 H new ATOM 0 HG23 THR A 82 8.400 5.329 -0.755 1.00 44.34 H new ATOM 1196 N GLY A 83 8.371 9.994 -2.128 1.00 52.12 N ATOM 1197 CA GLY A 83 8.142 11.386 -2.419 1.00 44.53 C ATOM 1198 C GLY A 83 6.699 11.719 -2.189 1.00 32.01 C ATOM 1199 O GLY A 83 5.936 10.941 -1.592 1.00 72.25 O ATOM 0 H GLY A 83 8.452 9.407 -2.958 1.00 52.12 H new ATOM 0 HA2 GLY A 83 8.774 12.009 -1.786 1.00 44.53 H new ATOM 0 HA3 GLY A 83 8.415 11.601 -3.452 1.00 44.53 H new ATOM 1203 N GLN A 84 6.292 12.923 -2.645 1.00 51.12 N ATOM 1204 CA GLN A 84 4.980 13.437 -2.340 1.00 31.35 C ATOM 1205 C GLN A 84 3.991 12.778 -3.245 1.00 63.53 C ATOM 1206 O GLN A 84 2.841 12.641 -2.895 1.00 53.04 O ATOM 1207 CB GLN A 84 4.858 14.977 -2.475 1.00 41.11 C ATOM 1208 CG GLN A 84 5.330 15.553 -3.822 1.00 41.30 C ATOM 1209 CD GLN A 84 5.068 17.055 -3.798 1.00 53.12 C ATOM 1210 OE1 GLN A 84 4.102 17.531 -4.392 1.00 55.33 O ATOM 1211 NE2 GLN A 84 5.928 17.820 -3.100 1.00 14.30 N ATOM 0 H GLN A 84 6.865 13.539 -3.221 1.00 51.12 H new ATOM 0 HA GLN A 84 4.784 13.211 -1.292 1.00 31.35 H new ATOM 0 HB2 GLN A 84 3.816 15.258 -2.322 1.00 41.11 H new ATOM 0 HB3 GLN A 84 5.435 15.443 -1.676 1.00 41.11 H new ATOM 0 HG2 GLN A 84 6.390 15.352 -3.974 1.00 41.30 H new ATOM 0 HG3 GLN A 84 4.795 15.084 -4.648 1.00 41.30 H new ATOM 0 HE21 GLN A 84 6.719 17.390 -2.620 1.00 14.30 H new ATOM 0 HE22 GLN A 84 5.789 18.829 -3.052 1.00 14.30 H new ATOM 1220 N VAL A 85 4.441 12.309 -4.416 1.00 64.21 N ATOM 1221 CA VAL A 85 3.585 11.531 -5.268 1.00 52.12 C ATOM 1222 C VAL A 85 4.263 10.206 -5.331 1.00 12.31 C ATOM 1223 O VAL A 85 5.479 10.142 -5.534 1.00 34.02 O ATOM 1224 CB VAL A 85 3.413 12.093 -6.679 1.00 30.30 C ATOM 1225 CG1 VAL A 85 2.549 11.121 -7.529 1.00 32.24 C ATOM 1226 CG2 VAL A 85 2.771 13.492 -6.553 1.00 32.20 C ATOM 0 H VAL A 85 5.383 12.461 -4.776 1.00 64.21 H new ATOM 0 HA VAL A 85 2.572 11.510 -4.866 1.00 52.12 H new ATOM 0 HB VAL A 85 4.371 12.191 -7.189 1.00 30.30 H new ATOM 0 HG11 VAL A 85 2.429 11.525 -8.534 1.00 32.24 H new ATOM 0 HG12 VAL A 85 3.042 10.150 -7.585 1.00 32.24 H new ATOM 0 HG13 VAL A 85 1.569 11.005 -7.065 1.00 32.24 H new ATOM 0 HG21 VAL A 85 2.635 13.921 -7.546 1.00 32.20 H new ATOM 0 HG22 VAL A 85 1.803 13.405 -6.060 1.00 32.20 H new ATOM 0 HG23 VAL A 85 3.421 14.139 -5.964 1.00 32.20 H new ATOM 1236 N VAL A 86 3.512 9.118 -5.094 1.00 30.35 N ATOM 1237 CA VAL A 86 4.103 7.815 -5.033 1.00 52.05 C ATOM 1238 C VAL A 86 3.426 7.012 -6.093 1.00 32.30 C ATOM 1239 O VAL A 86 2.223 7.119 -6.268 1.00 70.24 O ATOM 1240 CB VAL A 86 3.869 7.130 -3.699 1.00 43.32 C ATOM 1241 CG1 VAL A 86 4.735 5.850 -3.625 1.00 52.23 C ATOM 1242 CG2 VAL A 86 4.204 8.136 -2.589 1.00 34.54 C ATOM 0 H VAL A 86 2.503 9.137 -4.945 1.00 30.35 H new ATOM 0 HA VAL A 86 5.182 7.899 -5.166 1.00 52.05 H new ATOM 0 HB VAL A 86 2.831 6.819 -3.579 1.00 43.32 H new ATOM 0 HG11 VAL A 86 4.570 5.354 -2.668 1.00 52.23 H new ATOM 0 HG12 VAL A 86 4.458 5.176 -4.435 1.00 52.23 H new ATOM 0 HG13 VAL A 86 5.788 6.117 -3.719 1.00 52.23 H new ATOM 0 HG21 VAL A 86 4.045 7.671 -1.616 1.00 34.54 H new ATOM 0 HG22 VAL A 86 5.246 8.443 -2.678 1.00 34.54 H new ATOM 0 HG23 VAL A 86 3.559 9.010 -2.683 1.00 34.54 H new ATOM 1252 N HIS A 87 4.191 6.180 -6.818 1.00 43.33 N ATOM 1253 CA HIS A 87 3.602 5.275 -7.780 1.00 24.42 C ATOM 1254 C HIS A 87 3.456 3.988 -7.038 1.00 34.34 C ATOM 1255 O HIS A 87 4.432 3.427 -6.575 1.00 4.03 O ATOM 1256 CB HIS A 87 4.481 5.009 -9.035 1.00 45.40 C ATOM 1257 CG HIS A 87 4.620 6.212 -9.945 1.00 73.12 C ATOM 1258 ND1 HIS A 87 5.289 7.348 -9.575 1.00 54.23 N ATOM 1259 CD2 HIS A 87 4.152 6.422 -11.195 1.00 43.53 C ATOM 1260 CE1 HIS A 87 5.225 8.219 -10.575 1.00 45.33 C ATOM 1261 NE2 HIS A 87 4.537 7.677 -11.567 1.00 54.51 N ATOM 0 H HIS A 87 5.207 6.126 -6.748 1.00 43.33 H new ATOM 0 HA HIS A 87 2.675 5.707 -8.157 1.00 24.42 H new ATOM 0 HB2 HIS A 87 5.473 4.691 -8.713 1.00 45.40 H new ATOM 0 HB3 HIS A 87 4.050 4.183 -9.601 1.00 45.40 H new ATOM 0 HD2 HIS A 87 3.579 5.726 -11.789 1.00 43.53 H new ATOM 0 HE1 HIS A 87 5.662 9.207 -10.578 1.00 45.33 H new ATOM 0 HE2 HIS A 87 4.329 8.123 -12.461 1.00 54.51 H new ATOM 1270 N LEU A 88 2.230 3.539 -6.854 1.00 33.21 N ATOM 1271 CA LEU A 88 1.969 2.362 -6.073 1.00 73.24 C ATOM 1272 C LEU A 88 1.329 1.397 -6.987 1.00 42.12 C ATOM 1273 O LEU A 88 0.525 1.773 -7.841 1.00 21.42 O ATOM 1274 CB LEU A 88 1.013 2.623 -4.898 1.00 50.41 C ATOM 1275 CG LEU A 88 1.617 3.571 -3.840 1.00 72.02 C ATOM 1276 CD1 LEU A 88 0.564 4.171 -2.924 1.00 21.00 C ATOM 1277 CD2 LEU A 88 2.771 2.927 -3.058 1.00 44.10 C ATOM 0 H LEU A 88 1.397 3.981 -7.242 1.00 33.21 H new ATOM 0 HA LEU A 88 2.905 2.003 -5.646 1.00 73.24 H new ATOM 0 HB2 LEU A 88 0.086 3.052 -5.277 1.00 50.41 H new ATOM 0 HB3 LEU A 88 0.756 1.675 -4.426 1.00 50.41 H new ATOM 0 HG LEU A 88 2.050 4.402 -4.396 1.00 72.02 H new ATOM 0 HD11 LEU A 88 1.044 4.829 -2.200 1.00 21.00 H new ATOM 0 HD12 LEU A 88 -0.150 4.743 -3.516 1.00 21.00 H new ATOM 0 HD13 LEU A 88 0.042 3.372 -2.398 1.00 21.00 H new ATOM 0 HD21 LEU A 88 3.158 3.638 -2.328 1.00 44.10 H new ATOM 0 HD22 LEU A 88 2.409 2.038 -2.542 1.00 44.10 H new ATOM 0 HD23 LEU A 88 3.567 2.647 -3.748 1.00 44.10 H new ATOM 1289 N LEU A 89 1.712 0.128 -6.857 1.00 72.32 N ATOM 1290 CA LEU A 89 1.208 -0.890 -7.721 1.00 45.00 C ATOM 1291 C LEU A 89 0.425 -1.803 -6.844 1.00 51.22 C ATOM 1292 O LEU A 89 0.930 -2.234 -5.786 1.00 12.23 O ATOM 1293 CB LEU A 89 2.353 -1.686 -8.384 1.00 61.43 C ATOM 1294 CG LEU A 89 1.950 -2.509 -9.612 1.00 34.44 C ATOM 1295 CD1 LEU A 89 1.240 -1.659 -10.671 1.00 60.30 C ATOM 1296 CD2 LEU A 89 3.151 -3.246 -10.208 1.00 12.15 C ATOM 0 H LEU A 89 2.373 -0.201 -6.153 1.00 72.32 H new ATOM 0 HA LEU A 89 0.612 -0.454 -8.523 1.00 45.00 H new ATOM 0 HB2 LEU A 89 3.138 -0.988 -8.676 1.00 61.43 H new ATOM 0 HB3 LEU A 89 2.784 -2.358 -7.642 1.00 61.43 H new ATOM 0 HG LEU A 89 1.234 -3.256 -9.270 1.00 34.44 H new ATOM 0 HD11 LEU A 89 0.974 -2.286 -11.522 1.00 60.30 H new ATOM 0 HD12 LEU A 89 0.336 -1.225 -10.243 1.00 60.30 H new ATOM 0 HD13 LEU A 89 1.904 -0.861 -11.002 1.00 60.30 H new ATOM 0 HD21 LEU A 89 2.831 -3.820 -11.077 1.00 12.15 H new ATOM 0 HD22 LEU A 89 3.909 -2.523 -10.510 1.00 12.15 H new ATOM 0 HD23 LEU A 89 3.571 -3.921 -9.462 1.00 12.15 H new ATOM 1308 N LEU A 90 -0.840 -2.084 -7.219 1.00 25.22 N ATOM 1309 CA LEU A 90 -1.706 -2.847 -6.356 1.00 42.04 C ATOM 1310 C LEU A 90 -2.380 -3.887 -7.193 1.00 12.41 C ATOM 1311 O LEU A 90 -2.491 -3.739 -8.411 1.00 10.35 O ATOM 1312 CB LEU A 90 -2.806 -2.011 -5.654 1.00 31.05 C ATOM 1313 CG LEU A 90 -2.256 -0.951 -4.664 1.00 73.43 C ATOM 1314 CD1 LEU A 90 -1.962 0.409 -5.325 1.00 73.32 C ATOM 1315 CD2 LEU A 90 -3.138 -0.812 -3.421 1.00 11.11 C ATOM 0 H LEU A 90 -1.260 -1.791 -8.101 1.00 25.22 H new ATOM 0 HA LEU A 90 -1.080 -3.265 -5.567 1.00 42.04 H new ATOM 0 HB2 LEU A 90 -3.406 -1.508 -6.413 1.00 31.05 H new ATOM 0 HB3 LEU A 90 -3.472 -2.685 -5.116 1.00 31.05 H new ATOM 0 HG LEU A 90 -1.290 -1.330 -4.331 1.00 73.43 H new ATOM 0 HD11 LEU A 90 -1.580 1.103 -4.576 1.00 73.32 H new ATOM 0 HD12 LEU A 90 -1.218 0.278 -6.111 1.00 73.32 H new ATOM 0 HD13 LEU A 90 -2.879 0.810 -5.757 1.00 73.32 H new ATOM 0 HD21 LEU A 90 -2.714 -0.059 -2.756 1.00 11.11 H new ATOM 0 HD22 LEU A 90 -4.142 -0.509 -3.719 1.00 11.11 H new ATOM 0 HD23 LEU A 90 -3.187 -1.769 -2.901 1.00 11.11 H new ATOM 1327 N GLU A 91 -2.837 -4.987 -6.538 1.00 31.02 N ATOM 1328 CA GLU A 91 -3.599 -6.018 -7.209 1.00 15.12 C ATOM 1329 C GLU A 91 -4.884 -6.011 -6.563 1.00 70.34 C ATOM 1330 O GLU A 91 -4.975 -6.009 -5.334 1.00 54.54 O ATOM 1331 CB GLU A 91 -3.078 -7.458 -7.026 1.00 61.03 C ATOM 1332 CG GLU A 91 -2.017 -7.813 -8.015 1.00 71.21 C ATOM 1333 CD GLU A 91 -1.386 -9.129 -7.590 1.00 24.32 C ATOM 1334 OE1 GLU A 91 -0.940 -9.242 -6.415 1.00 45.41 O ATOM 1335 OE2 GLU A 91 -1.365 -10.065 -8.403 1.00 23.43 O ATOM 0 H GLU A 91 -2.679 -5.162 -5.546 1.00 31.02 H new ATOM 0 HA GLU A 91 -3.569 -5.794 -8.275 1.00 15.12 H new ATOM 0 HB2 GLU A 91 -2.682 -7.572 -6.017 1.00 61.03 H new ATOM 0 HB3 GLU A 91 -3.909 -8.157 -7.123 1.00 61.03 H new ATOM 0 HG2 GLU A 91 -2.444 -7.902 -9.014 1.00 71.21 H new ATOM 0 HG3 GLU A 91 -1.262 -7.028 -8.060 1.00 71.21 H new ATOM 1342 N LYS A 92 -5.917 -6.032 -7.366 1.00 2.23 N ATOM 1343 CA LYS A 92 -7.273 -6.073 -6.868 1.00 14.44 C ATOM 1344 C LYS A 92 -7.504 -7.332 -6.097 1.00 4.01 C ATOM 1345 O LYS A 92 -6.897 -8.367 -6.354 1.00 33.43 O ATOM 1346 CB LYS A 92 -8.348 -6.001 -7.983 1.00 65.33 C ATOM 1347 CG LYS A 92 -8.532 -4.618 -8.566 1.00 34.02 C ATOM 1348 CD LYS A 92 -9.191 -3.671 -7.576 1.00 50.20 C ATOM 1349 CE LYS A 92 -9.340 -2.227 -8.091 1.00 61.45 C ATOM 1350 NZ LYS A 92 -10.032 -1.381 -7.099 1.00 64.45 N ATOM 0 H LYS A 92 -5.845 -6.021 -8.383 1.00 2.23 H new ATOM 0 HA LYS A 92 -7.377 -5.190 -6.238 1.00 14.44 H new ATOM 0 HB2 LYS A 92 -8.075 -6.689 -8.783 1.00 65.33 H new ATOM 0 HB3 LYS A 92 -9.300 -6.344 -7.579 1.00 65.33 H new ATOM 0 HG2 LYS A 92 -7.563 -4.217 -8.863 1.00 34.02 H new ATOM 0 HG3 LYS A 92 -9.140 -4.682 -9.468 1.00 34.02 H new ATOM 0 HD2 LYS A 92 -10.178 -4.058 -7.321 1.00 50.20 H new ATOM 0 HD3 LYS A 92 -8.606 -3.659 -6.656 1.00 50.20 H new ATOM 0 HE2 LYS A 92 -8.356 -1.810 -8.306 1.00 61.45 H new ATOM 0 HE3 LYS A 92 -9.898 -2.227 -9.027 1.00 61.45 H new ATOM 0 HZ1 LYS A 92 -10.120 -0.413 -7.469 1.00 64.45 H new ATOM 0 HZ2 LYS A 92 -10.979 -1.768 -6.913 1.00 64.45 H new ATOM 0 HZ3 LYS A 92 -9.485 -1.365 -6.215 1.00 64.45 H new ATOM 1364 N GLY A 93 -8.399 -7.239 -5.135 1.00 74.21 N ATOM 1365 CA GLY A 93 -8.769 -8.363 -4.316 1.00 33.13 C ATOM 1366 C GLY A 93 -8.518 -7.939 -2.922 1.00 41.44 C ATOM 1367 O GLY A 93 -7.849 -8.634 -2.158 1.00 32.32 O ATOM 0 H GLY A 93 -8.889 -6.375 -4.902 1.00 74.21 H new ATOM 0 HA2 GLY A 93 -9.816 -8.627 -4.463 1.00 33.13 H new ATOM 0 HA3 GLY A 93 -8.179 -9.244 -4.570 1.00 33.13 H new ATOM 1371 N GLN A 94 -9.044 -6.756 -2.555 1.00 51.34 N ATOM 1372 CA GLN A 94 -8.799 -6.219 -1.237 1.00 63.23 C ATOM 1373 C GLN A 94 -9.716 -6.904 -0.297 1.00 1.54 C ATOM 1374 O GLN A 94 -10.799 -7.378 -0.695 1.00 52.34 O ATOM 1375 CB GLN A 94 -9.013 -4.686 -1.110 1.00 62.30 C ATOM 1376 CG GLN A 94 -10.408 -4.173 -1.493 1.00 41.11 C ATOM 1377 CD GLN A 94 -10.366 -2.646 -1.467 1.00 14.52 C ATOM 1378 OE1 GLN A 94 -10.677 -1.990 -2.459 1.00 51.21 O ATOM 1379 NE2 GLN A 94 -9.963 -2.061 -0.326 1.00 32.00 N ATOM 0 H GLN A 94 -9.630 -6.174 -3.154 1.00 51.34 H new ATOM 0 HA GLN A 94 -7.746 -6.393 -1.014 1.00 63.23 H new ATOM 0 HB2 GLN A 94 -8.809 -4.394 -0.080 1.00 62.30 H new ATOM 0 HB3 GLN A 94 -8.277 -4.182 -1.736 1.00 62.30 H new ATOM 0 HG2 GLN A 94 -10.688 -4.531 -2.484 1.00 41.11 H new ATOM 0 HG3 GLN A 94 -11.158 -4.547 -0.795 1.00 41.11 H new ATOM 0 HE21 GLN A 94 -9.712 -2.634 0.480 1.00 32.00 H new ATOM 0 HE22 GLN A 94 -9.908 -1.044 -0.266 1.00 32.00 H new ATOM 1388 N SER A 95 -9.318 -6.991 0.975 1.00 2.14 N ATOM 1389 CA SER A 95 -10.138 -7.575 1.990 1.00 40.12 C ATOM 1390 C SER A 95 -11.079 -6.466 2.435 1.00 24.04 C ATOM 1391 O SER A 95 -10.840 -5.277 2.145 1.00 15.53 O ATOM 1392 CB SER A 95 -9.261 -7.990 3.211 1.00 3.41 C ATOM 1393 OG SER A 95 -8.190 -8.845 2.783 1.00 42.52 O ATOM 0 H SER A 95 -8.416 -6.653 1.310 1.00 2.14 H new ATOM 0 HA SER A 95 -10.661 -8.457 1.620 1.00 40.12 H new ATOM 0 HB2 SER A 95 -8.856 -7.102 3.696 1.00 3.41 H new ATOM 0 HB3 SER A 95 -9.874 -8.505 3.950 1.00 3.41 H new ATOM 0 HG SER A 95 -7.645 -9.098 3.557 1.00 42.52 H new ATOM 1399 N PRO A 96 -12.169 -6.837 3.140 1.00 72.10 N ATOM 1400 CA PRO A 96 -13.101 -5.866 3.701 1.00 14.24 C ATOM 1401 C PRO A 96 -12.381 -5.041 4.747 1.00 21.04 C ATOM 1402 O PRO A 96 -11.286 -5.425 5.186 1.00 2.42 O ATOM 1403 CB PRO A 96 -14.227 -6.721 4.326 1.00 30.14 C ATOM 1404 CG PRO A 96 -13.581 -8.105 4.560 1.00 0.11 C ATOM 1405 CD PRO A 96 -12.571 -8.224 3.412 1.00 22.33 C ATOM 0 HA PRO A 96 -13.501 -5.168 2.966 1.00 14.24 H new ATOM 0 HB2 PRO A 96 -14.583 -6.286 5.260 1.00 30.14 H new ATOM 0 HB3 PRO A 96 -15.087 -6.792 3.660 1.00 30.14 H new ATOM 0 HG2 PRO A 96 -13.092 -8.161 5.533 1.00 0.11 H new ATOM 0 HG3 PRO A 96 -14.321 -8.905 4.529 1.00 0.11 H new ATOM 0 HD2 PRO A 96 -11.716 -8.838 3.696 1.00 22.33 H new ATOM 0 HD3 PRO A 96 -13.019 -8.688 2.534 1.00 22.33 H new ATOM 1413 N THR A 97 -12.969 -3.904 5.118 1.00 24.33 N ATOM 1414 CA THR A 97 -12.345 -3.011 6.042 1.00 72.42 C ATOM 1415 C THR A 97 -12.531 -3.627 7.441 1.00 1.52 C ATOM 1416 O THR A 97 -11.522 -4.002 8.056 1.00 21.15 O ATOM 1417 CB THR A 97 -12.935 -1.619 6.011 1.00 33.23 C ATOM 1418 OG1 THR A 97 -12.966 -1.152 4.664 1.00 72.31 O ATOM 1419 CG2 THR A 97 -12.052 -0.681 6.864 1.00 41.24 C ATOM 0 H THR A 97 -13.881 -3.595 4.781 1.00 24.33 H new ATOM 0 HA THR A 97 -11.295 -2.895 5.775 1.00 72.42 H new ATOM 0 HB THR A 97 -13.948 -1.634 6.412 1.00 33.23 H new ATOM 0 HG1 THR A 97 -13.349 -0.250 4.639 1.00 72.31 H new ATOM 0 HG21 THR A 97 -12.469 0.326 6.848 1.00 41.24 H new ATOM 0 HG22 THR A 97 -12.021 -1.045 7.891 1.00 41.24 H new ATOM 0 HG23 THR A 97 -11.042 -0.661 6.456 1.00 41.24 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 1.156 1.232 11.259 1.00 74.15 C HETATM 1429 C2 33B A 101 2.367 1.044 12.165 1.00 25.04 C HETATM 1430 O2 33B A 101 2.964 -0.036 12.181 1.00 72.10 O HETATM 1431 N3 33B A 101 2.767 2.153 12.884 1.00 62.44 N HETATM 1432 C4 33B A 101 3.860 2.174 13.976 1.00 3.33 C HETATM 1433 C5 33B A 101 4.503 0.969 14.401 1.00 45.55 C HETATM 1434 C6 33B A 101 4.280 3.434 14.621 1.00 10.41 C HETATM 1435 S6 33B A 101 3.552 5.048 14.246 1.00 45.22 S HETATM 1436 C7 33B A 101 5.507 0.989 15.364 1.00 21.25 C HETATM 1437 C8 33B A 101 5.296 3.382 15.602 1.00 13.43 C HETATM 1438 C9 33B A 101 5.915 2.183 15.959 1.00 44.43 C HETATM 1439 N10 33B A 101 7.040 2.184 16.956 1.00 14.41 N HETATM 1440 N11 33B A 101 8.280 2.173 16.642 1.00 24.40 N HETATM 1441 C12 33B A 101 8.818 2.171 15.228 1.00 41.43 C HETATM 1442 C13 33B A 101 8.410 3.144 14.309 1.00 55.15 C HETATM 1443 C14 33B A 101 9.757 1.212 14.837 1.00 11.42 C HETATM 1444 C15 33B A 101 8.910 3.172 13.015 1.00 74.32 C HETATM 1445 C16 33B A 101 10.327 1.206 13.536 1.00 51.12 C HETATM 1446 C17 33B A 101 9.888 2.226 12.576 1.00 41.21 C HETATM 1447 S17 33B A 101 11.587 -0.028 13.140 1.00 15.32 S HETATM 1448 N18 33B A 101 10.489 2.288 11.156 1.00 33.24 N HETATM 1449 C19 33B A 101 10.111 3.178 10.173 1.00 24.42 C HETATM 1450 O19 33B A 101 9.120 3.892 10.249 1.00 34.14 O HETATM 1451 C20 33B A 101 10.989 3.231 8.930 1.00 60.51 C HETATM 1452 O61 33B A 101 3.111 4.931 12.871 1.00 41.01 O HETATM 1453 O62 33B A 101 2.488 5.141 15.229 1.00 64.41 O HETATM 1454 O63 33B A 101 4.653 5.974 14.446 1.00 32.31 O HETATM 1455 O71 33B A 101 11.183 -0.526 11.855 1.00 41.12 O HETATM 1456 O72 33B A 101 12.803 0.754 13.129 1.00 21.34 O HETATM 1457 O73 33B A 101 11.497 -0.973 14.228 1.00 35.52 O HETATM 0 HO72 33B A 101 13.564 0.172 12.922 1.00 21.34 H new HETATM 0 HO62 33B A 101 2.015 5.992 15.120 1.00 64.41 H new HETATM 0 HN18 33B A 101 11.223 1.618 10.927 1.00 33.24 H new HETATM 0 HN3 33B A 101 2.300 3.036 12.676 1.00 62.44 H new HETATM 0 H8 33B A 101 5.605 4.304 16.094 1.00 13.43 H new HETATM 0 H7 33B A 101 5.984 0.054 15.659 1.00 21.25 H new HETATM 0 H5 33B A 101 4.201 0.018 13.962 1.00 45.55 H new HETATM 0 H15 33B A 101 8.550 3.930 12.319 1.00 74.32 H new HETATM 0 H14 33B A 101 10.061 0.447 15.551 1.00 11.42 H new HETATM 0 H13 33B A 101 7.684 3.896 14.616 1.00 55.15 H new