USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 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 54 HIS : no HE2:sc= -2.34 K(o=-4.5,f=-8.3!) USER MOD Set 1.2: A 92 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00108) USER MOD Set 1.3: A 94 GLN : amide:sc= -2.11 K(o=-4.5,f=-3.4) USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= 0.021 USER MOD Set 2.2: A 74 GLN : amide:sc= 0 K(o=0.021,f=-1.1) USER MOD Set 3.1: A 63 ASN : amide:sc= 0.00784 K(o=0.0078,f=-2.8!) USER MOD Set 3.2: A 87 HIS : no HD1:sc= 0 X(o=0.0078,f=0.0078) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.198 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -134:sc= 0.013 (180deg=-0.297) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.311 K(o=0.31,f=-4.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.169 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.91) USER MOD Single : A 29 THR OG1 : rot -170:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 165:sc= 0.236 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 157:sc= 1.29 USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= 1.31 (180deg=1.18) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.42) USER MOD Single : A 73 LYS NZ :NH3+ 151:sc= 1.28 (180deg=0.362) USER MOD Single : A 78 THR OG1 : rot 62:sc= 1.2 USER MOD Single : A 81 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.16) USER MOD Single : A 82 THR OG1 : rot -51:sc= 0.969 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0598 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0354 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 -14.731 -0.946 -12.266 1.00 15.04 N ATOM 2 CA GLY A 1 -13.455 -0.883 -11.557 1.00 50.10 C ATOM 3 C GLY A 1 -12.521 -1.854 -12.165 1.00 20.02 C ATOM 4 O GLY A 1 -12.801 -2.455 -13.211 1.00 12.13 O ATOM 0 H1 GLY A 1 -15.036 0.016 -12.518 1.00 15.04 H new ATOM 0 H2 GLY A 1 -14.620 -1.512 -13.131 1.00 15.04 H new ATOM 0 H3 GLY A 1 -15.447 -1.387 -11.654 1.00 15.04 H new ATOM 0 HA2 GLY A 1 -13.042 0.124 -11.614 1.00 50.10 H new ATOM 0 HA3 GLY A 1 -13.599 -1.109 -10.501 1.00 50.10 H new ATOM 10 N PRO A 2 -11.376 -2.041 -11.506 1.00 35.53 N ATOM 11 CA PRO A 2 -10.446 -3.091 -11.855 1.00 4.11 C ATOM 12 C PRO A 2 -11.106 -4.408 -11.538 1.00 64.23 C ATOM 13 O PRO A 2 -11.891 -4.473 -10.578 1.00 13.34 O ATOM 14 CB PRO A 2 -9.217 -2.839 -10.955 1.00 74.51 C ATOM 15 CG PRO A 2 -9.758 -2.023 -9.763 1.00 31.11 C ATOM 16 CD PRO A 2 -10.933 -1.231 -10.364 1.00 14.52 C ATOM 0 HA PRO A 2 -10.156 -3.107 -12.906 1.00 4.11 H new ATOM 0 HB2 PRO A 2 -8.772 -3.777 -10.622 1.00 74.51 H new ATOM 0 HB3 PRO A 2 -8.442 -2.290 -11.490 1.00 74.51 H new ATOM 0 HG2 PRO A 2 -10.086 -2.671 -8.951 1.00 31.11 H new ATOM 0 HG3 PRO A 2 -8.996 -1.360 -9.354 1.00 31.11 H new ATOM 0 HD2 PRO A 2 -11.734 -1.097 -9.637 1.00 14.52 H new ATOM 0 HD3 PRO A 2 -10.620 -0.236 -10.681 1.00 14.52 H new ATOM 24 N LYS A 3 -10.820 -5.446 -12.328 1.00 21.41 N ATOM 25 CA LYS A 3 -11.400 -6.752 -12.107 1.00 5.02 C ATOM 26 C LYS A 3 -10.634 -7.369 -10.947 1.00 12.41 C ATOM 27 O LYS A 3 -9.552 -6.908 -10.591 1.00 61.13 O ATOM 28 CB LYS A 3 -11.242 -7.667 -13.360 1.00 14.10 C ATOM 29 CG LYS A 3 -11.969 -7.115 -14.599 1.00 33.44 C ATOM 30 CD LYS A 3 -11.829 -8.007 -15.837 1.00 62.23 C ATOM 31 CE LYS A 3 -12.525 -7.427 -17.086 1.00 1.11 C ATOM 32 NZ LYS A 3 -12.346 -8.319 -18.258 1.00 1.42 N ATOM 0 H LYS A 3 -10.187 -5.396 -13.126 1.00 21.41 H new ATOM 0 HA LYS A 3 -12.466 -6.657 -11.902 1.00 5.02 H new ATOM 0 HB2 LYS A 3 -10.182 -7.783 -13.588 1.00 14.10 H new ATOM 0 HB3 LYS A 3 -11.629 -8.660 -13.130 1.00 14.10 H new ATOM 0 HG2 LYS A 3 -13.027 -6.994 -14.366 1.00 33.44 H new ATOM 0 HG3 LYS A 3 -11.578 -6.124 -14.829 1.00 33.44 H new ATOM 0 HD2 LYS A 3 -10.771 -8.153 -16.054 1.00 62.23 H new ATOM 0 HD3 LYS A 3 -12.248 -8.989 -15.619 1.00 62.23 H new ATOM 0 HE2 LYS A 3 -13.588 -7.294 -16.885 1.00 1.11 H new ATOM 0 HE3 LYS A 3 -12.117 -6.441 -17.309 1.00 1.11 H new ATOM 0 HZ1 LYS A 3 -12.823 -7.906 -19.085 1.00 1.42 H new ATOM 0 HZ2 LYS A 3 -11.332 -8.426 -18.461 1.00 1.42 H new ATOM 0 HZ3 LYS A 3 -12.757 -9.251 -18.051 1.00 1.42 H new ATOM 46 N PRO A 4 -11.199 -8.412 -10.322 1.00 75.54 N ATOM 47 CA PRO A 4 -10.514 -9.152 -9.275 1.00 62.14 C ATOM 48 C PRO A 4 -9.245 -9.761 -9.846 1.00 65.44 C ATOM 49 O PRO A 4 -9.323 -10.544 -10.800 1.00 52.12 O ATOM 50 CB PRO A 4 -11.523 -10.221 -8.807 1.00 43.21 C ATOM 51 CG PRO A 4 -12.546 -10.324 -9.959 1.00 32.41 C ATOM 52 CD PRO A 4 -12.554 -8.916 -10.567 1.00 65.11 C ATOM 0 HA PRO A 4 -10.206 -8.531 -8.433 1.00 62.14 H new ATOM 0 HB2 PRO A 4 -11.032 -11.177 -8.627 1.00 43.21 H new ATOM 0 HB3 PRO A 4 -12.005 -9.929 -7.874 1.00 43.21 H new ATOM 0 HG2 PRO A 4 -12.249 -11.075 -10.692 1.00 32.41 H new ATOM 0 HG3 PRO A 4 -13.533 -10.608 -9.594 1.00 32.41 H new ATOM 0 HD2 PRO A 4 -12.782 -8.943 -11.632 1.00 65.11 H new ATOM 0 HD3 PRO A 4 -13.306 -8.283 -10.096 1.00 65.11 H new ATOM 60 N GLY A 5 -8.077 -9.398 -9.276 1.00 21.13 N ATOM 61 CA GLY A 5 -6.815 -9.956 -9.727 1.00 10.24 C ATOM 62 C GLY A 5 -6.233 -9.046 -10.766 1.00 4.50 C ATOM 63 O GLY A 5 -5.299 -9.413 -11.463 1.00 31.32 O ATOM 0 H GLY A 5 -7.996 -8.727 -8.512 1.00 21.13 H new ATOM 0 HA2 GLY A 5 -6.127 -10.061 -8.888 1.00 10.24 H new ATOM 0 HA3 GLY A 5 -6.968 -10.953 -10.140 1.00 10.24 H new ATOM 67 N ASP A 6 -6.780 -7.828 -10.898 1.00 4.44 N ATOM 68 CA ASP A 6 -6.276 -6.905 -11.902 1.00 52.43 C ATOM 69 C ASP A 6 -5.309 -6.034 -11.179 1.00 11.04 C ATOM 70 O ASP A 6 -5.532 -5.684 -10.016 1.00 74.34 O ATOM 71 CB ASP A 6 -7.365 -6.018 -12.570 1.00 4.51 C ATOM 72 CG ASP A 6 -6.753 -5.216 -13.709 1.00 44.12 C ATOM 73 OD1 ASP A 6 -5.940 -5.781 -14.473 1.00 15.32 O ATOM 74 OD2 ASP A 6 -7.123 -4.031 -13.875 1.00 14.11 O ATOM 0 H ASP A 6 -7.552 -7.474 -10.333 1.00 4.44 H new ATOM 0 HA ASP A 6 -5.840 -7.476 -12.721 1.00 52.43 H new ATOM 0 HB2 ASP A 6 -8.174 -6.643 -12.948 1.00 4.51 H new ATOM 0 HB3 ASP A 6 -7.800 -5.344 -11.832 1.00 4.51 H new ATOM 79 N ILE A 7 -4.190 -5.716 -11.833 1.00 10.54 N ATOM 80 CA ILE A 7 -3.161 -4.918 -11.228 1.00 32.13 C ATOM 81 C ILE A 7 -3.376 -3.558 -11.807 1.00 22.43 C ATOM 82 O ILE A 7 -3.722 -3.423 -12.983 1.00 14.54 O ATOM 83 CB ILE A 7 -1.714 -5.407 -11.522 1.00 70.20 C ATOM 84 CG1 ILE A 7 -1.410 -6.753 -10.808 1.00 10.43 C ATOM 85 CG2 ILE A 7 -0.694 -4.315 -11.103 1.00 24.53 C ATOM 86 CD1 ILE A 7 -2.145 -7.963 -11.380 1.00 12.55 C ATOM 0 H ILE A 7 -3.987 -6.009 -12.789 1.00 10.54 H new ATOM 0 HA ILE A 7 -3.237 -4.962 -10.142 1.00 32.13 H new ATOM 0 HB ILE A 7 -1.624 -5.584 -12.594 1.00 70.20 H new ATOM 0 HG12 ILE A 7 -0.337 -6.940 -10.858 1.00 10.43 H new ATOM 0 HG13 ILE A 7 -1.667 -6.655 -9.753 1.00 10.43 H new ATOM 0 HG21 ILE A 7 0.318 -4.663 -11.311 1.00 24.53 H new ATOM 0 HG22 ILE A 7 -0.887 -3.402 -11.666 1.00 24.53 H new ATOM 0 HG23 ILE A 7 -0.796 -4.112 -10.037 1.00 24.53 H new ATOM 0 HD11 ILE A 7 -1.870 -8.855 -10.818 1.00 12.55 H new ATOM 0 HD12 ILE A 7 -3.221 -7.804 -11.305 1.00 12.55 H new ATOM 0 HD13 ILE A 7 -1.870 -8.094 -12.427 1.00 12.55 H new ATOM 98 N PHE A 8 -3.231 -2.537 -10.984 1.00 44.41 N ATOM 99 CA PHE A 8 -3.467 -1.205 -11.422 1.00 31.24 C ATOM 100 C PHE A 8 -2.502 -0.368 -10.684 1.00 33.53 C ATOM 101 O PHE A 8 -1.962 -0.790 -9.651 1.00 21.30 O ATOM 102 CB PHE A 8 -4.922 -0.683 -11.153 1.00 13.10 C ATOM 103 CG PHE A 8 -5.351 -1.046 -9.744 1.00 73.52 C ATOM 104 CD1 PHE A 8 -5.904 -2.328 -9.461 1.00 22.41 C ATOM 105 CD2 PHE A 8 -5.221 -0.114 -8.688 1.00 74.41 C ATOM 106 CE1 PHE A 8 -6.318 -2.653 -8.158 1.00 34.12 C ATOM 107 CE2 PHE A 8 -5.642 -0.447 -7.383 1.00 2.31 C ATOM 108 CZ PHE A 8 -6.194 -1.715 -7.122 1.00 32.14 C ATOM 0 H PHE A 8 -2.949 -2.621 -10.007 1.00 44.41 H new ATOM 0 HA PHE A 8 -3.348 -1.164 -12.505 1.00 31.24 H new ATOM 0 HB2 PHE A 8 -4.960 0.398 -11.286 1.00 13.10 H new ATOM 0 HB3 PHE A 8 -5.613 -1.118 -11.876 1.00 13.10 H new ATOM 0 HD1 PHE A 8 -6.006 -3.055 -10.253 1.00 22.41 H new ATOM 0 HD2 PHE A 8 -4.796 0.860 -8.882 1.00 74.41 H new ATOM 0 HE1 PHE A 8 -6.733 -3.629 -7.953 1.00 34.12 H new ATOM 0 HE2 PHE A 8 -5.541 0.272 -6.584 1.00 2.31 H new ATOM 0 HZ PHE A 8 -6.522 -1.966 -6.124 1.00 32.14 H new ATOM 118 N GLU A 9 -2.244 0.834 -11.201 1.00 14.12 N ATOM 119 CA GLU A 9 -1.351 1.725 -10.571 1.00 2.05 C ATOM 120 C GLU A 9 -2.193 2.736 -9.884 1.00 1.14 C ATOM 121 O GLU A 9 -3.269 3.114 -10.381 1.00 54.32 O ATOM 122 CB GLU A 9 -0.434 2.517 -11.552 1.00 53.32 C ATOM 123 CG GLU A 9 0.083 1.709 -12.760 1.00 52.42 C ATOM 124 CD GLU A 9 -0.876 1.912 -13.931 1.00 4.34 C ATOM 125 OE1 GLU A 9 -2.044 1.480 -13.847 1.00 65.40 O ATOM 126 OE2 GLU A 9 -0.467 2.527 -14.938 1.00 64.35 O ATOM 0 H GLU A 9 -2.659 1.188 -12.063 1.00 14.12 H new ATOM 0 HA GLU A 9 -0.703 1.135 -9.922 1.00 2.05 H new ATOM 0 HB2 GLU A 9 -0.985 3.382 -11.922 1.00 53.32 H new ATOM 0 HB3 GLU A 9 0.423 2.899 -10.996 1.00 53.32 H new ATOM 0 HG2 GLU A 9 1.086 2.036 -13.032 1.00 52.42 H new ATOM 0 HG3 GLU A 9 0.151 0.651 -12.506 1.00 52.42 H new ATOM 133 N VAL A 10 -1.722 3.206 -8.756 1.00 31.44 N ATOM 134 CA VAL A 10 -2.283 4.353 -8.135 1.00 11.33 C ATOM 135 C VAL A 10 -1.122 5.221 -7.909 1.00 2.21 C ATOM 136 O VAL A 10 -0.133 4.791 -7.332 1.00 24.51 O ATOM 137 CB VAL A 10 -2.946 4.076 -6.778 1.00 60.22 C ATOM 138 CG1 VAL A 10 -3.505 5.402 -6.203 1.00 11.43 C ATOM 139 CG2 VAL A 10 -4.039 3.009 -6.973 1.00 15.10 C ATOM 0 H VAL A 10 -0.937 2.795 -8.251 1.00 31.44 H new ATOM 0 HA VAL A 10 -3.072 4.768 -8.763 1.00 11.33 H new ATOM 0 HB VAL A 10 -2.226 3.689 -6.057 1.00 60.22 H new ATOM 0 HG11 VAL A 10 -3.977 5.210 -5.239 1.00 11.43 H new ATOM 0 HG12 VAL A 10 -2.690 6.114 -6.073 1.00 11.43 H new ATOM 0 HG13 VAL A 10 -4.242 5.815 -6.892 1.00 11.43 H new ATOM 0 HG21 VAL A 10 -4.519 2.801 -6.017 1.00 15.10 H new ATOM 0 HG22 VAL A 10 -4.783 3.375 -7.681 1.00 15.10 H new ATOM 0 HG23 VAL A 10 -3.590 2.094 -7.359 1.00 15.10 H new ATOM 149 N GLU A 11 -1.198 6.465 -8.362 1.00 53.24 N ATOM 150 CA GLU A 11 -0.166 7.384 -8.047 1.00 5.13 C ATOM 151 C GLU A 11 -0.747 8.237 -6.986 1.00 3.23 C ATOM 152 O GLU A 11 -1.770 8.895 -7.184 1.00 43.02 O ATOM 153 CB GLU A 11 0.374 8.211 -9.232 1.00 53.13 C ATOM 154 CG GLU A 11 -0.670 8.943 -10.070 1.00 32.41 C ATOM 155 CD GLU A 11 0.056 9.590 -11.225 1.00 0.51 C ATOM 156 OE1 GLU A 11 0.878 10.487 -10.983 1.00 54.33 O ATOM 157 OE2 GLU A 11 -0.159 9.176 -12.389 1.00 14.01 O ATOM 0 H GLU A 11 -1.956 6.835 -8.936 1.00 53.24 H new ATOM 0 HA GLU A 11 0.727 6.846 -7.730 1.00 5.13 H new ATOM 0 HB2 GLU A 11 1.080 8.946 -8.844 1.00 53.13 H new ATOM 0 HB3 GLU A 11 0.935 7.545 -9.888 1.00 53.13 H new ATOM 0 HG2 GLU A 11 -1.428 8.248 -10.433 1.00 32.41 H new ATOM 0 HG3 GLU A 11 -1.186 9.694 -9.471 1.00 32.41 H new ATOM 164 N LEU A 12 -0.181 8.140 -5.791 1.00 34.24 N ATOM 165 CA LEU A 12 -0.773 8.739 -4.645 1.00 74.04 C ATOM 166 C LEU A 12 0.016 9.957 -4.375 1.00 73.52 C ATOM 167 O LEU A 12 1.241 9.884 -4.254 1.00 35.21 O ATOM 168 CB LEU A 12 -0.698 7.814 -3.401 1.00 11.24 C ATOM 169 CG LEU A 12 -1.914 7.916 -2.459 1.00 11.14 C ATOM 170 CD1 LEU A 12 -2.047 9.275 -1.769 1.00 44.04 C ATOM 171 CD2 LEU A 12 -3.216 7.483 -3.150 1.00 42.31 C ATOM 0 H LEU A 12 0.692 7.645 -5.609 1.00 34.24 H new ATOM 0 HA LEU A 12 -1.827 8.942 -4.834 1.00 74.04 H new ATOM 0 HB2 LEU A 12 -0.599 6.782 -3.736 1.00 11.24 H new ATOM 0 HB3 LEU A 12 0.204 8.054 -2.838 1.00 11.24 H new ATOM 0 HG LEU A 12 -1.722 7.204 -1.656 1.00 11.14 H new ATOM 0 HD11 LEU A 12 -2.925 9.271 -1.123 1.00 44.04 H new ATOM 0 HD12 LEU A 12 -1.157 9.468 -1.170 1.00 44.04 H new ATOM 0 HD13 LEU A 12 -2.154 10.056 -2.522 1.00 44.04 H new ATOM 0 HD21 LEU A 12 -4.046 7.571 -2.449 1.00 42.31 H new ATOM 0 HD22 LEU A 12 -3.400 8.123 -4.013 1.00 42.31 H new ATOM 0 HD23 LEU A 12 -3.127 6.448 -3.479 1.00 42.31 H new ATOM 183 N ALA A 13 -0.660 11.112 -4.319 1.00 21.20 N ATOM 184 CA ALA A 13 0.014 12.341 -4.052 1.00 55.31 C ATOM 185 C ALA A 13 -0.171 12.636 -2.607 1.00 73.00 C ATOM 186 O ALA A 13 -1.205 12.335 -2.020 1.00 72.15 O ATOM 187 CB ALA A 13 -0.537 13.544 -4.845 1.00 12.50 C ATOM 0 H ALA A 13 -1.667 11.197 -4.457 1.00 21.20 H new ATOM 0 HA ALA A 13 1.055 12.213 -4.348 1.00 55.31 H new ATOM 0 HB1 ALA A 13 0.028 14.440 -4.586 1.00 12.50 H new ATOM 0 HB2 ALA A 13 -0.441 13.350 -5.913 1.00 12.50 H new ATOM 0 HB3 ALA A 13 -1.588 13.693 -4.596 1.00 12.50 H new ATOM 193 N LYS A 14 0.841 13.269 -2.023 1.00 55.33 N ATOM 194 CA LYS A 14 0.820 13.712 -0.650 1.00 61.03 C ATOM 195 C LYS A 14 0.383 15.152 -0.678 1.00 72.20 C ATOM 196 O LYS A 14 0.837 15.969 0.122 1.00 64.20 O ATOM 197 CB LYS A 14 2.239 13.682 -0.044 1.00 13.32 C ATOM 198 CG LYS A 14 2.853 12.272 0.003 1.00 0.41 C ATOM 199 CD LYS A 14 2.851 11.646 1.394 1.00 73.44 C ATOM 200 CE LYS A 14 3.790 12.360 2.394 1.00 61.14 C ATOM 201 NZ LYS A 14 5.188 12.340 1.902 1.00 62.24 N ATOM 0 H LYS A 14 1.711 13.488 -2.507 1.00 55.33 H new ATOM 0 HA LYS A 14 0.164 13.070 -0.062 1.00 61.03 H new ATOM 0 HB2 LYS A 14 2.889 14.334 -0.627 1.00 13.32 H new ATOM 0 HB3 LYS A 14 2.203 14.089 0.967 1.00 13.32 H new ATOM 0 HG2 LYS A 14 2.302 11.623 -0.678 1.00 0.41 H new ATOM 0 HG3 LYS A 14 3.879 12.320 -0.362 1.00 0.41 H new ATOM 0 HD2 LYS A 14 1.835 11.660 1.789 1.00 73.44 H new ATOM 0 HD3 LYS A 14 3.147 10.600 1.313 1.00 73.44 H new ATOM 0 HE2 LYS A 14 3.463 13.390 2.536 1.00 61.14 H new ATOM 0 HE3 LYS A 14 3.734 11.871 3.367 1.00 61.14 H new ATOM 0 HZ1 LYS A 14 5.825 12.063 2.676 1.00 62.24 H new ATOM 0 HZ2 LYS A 14 5.272 11.656 1.123 1.00 62.24 H new ATOM 0 HZ3 LYS A 14 5.449 13.287 1.561 1.00 62.24 H new ATOM 215 N ASN A 15 -0.466 15.505 -1.663 1.00 63.30 N ATOM 216 CA ASN A 15 -0.857 16.878 -1.878 1.00 53.14 C ATOM 217 C ASN A 15 -1.874 17.210 -0.839 1.00 63.33 C ATOM 218 O ASN A 15 -1.762 18.220 -0.156 1.00 3.34 O ATOM 219 CB ASN A 15 -1.514 17.099 -3.271 1.00 41.42 C ATOM 220 CG ASN A 15 -1.842 18.589 -3.437 1.00 55.55 C ATOM 221 OD1 ASN A 15 -0.939 19.422 -3.551 1.00 13.01 O ATOM 222 ND2 ASN A 15 -3.134 18.936 -3.452 1.00 51.23 N ATOM 0 H ASN A 15 -0.886 14.842 -2.315 1.00 63.30 H new ATOM 0 HA ASN A 15 0.033 17.504 -1.825 1.00 53.14 H new ATOM 0 HB2 ASN A 15 -0.839 16.772 -4.062 1.00 41.42 H new ATOM 0 HB3 ASN A 15 -2.421 16.502 -3.359 1.00 41.42 H new ATOM 0 HD21 ASN A 15 -3.398 19.915 -3.560 1.00 51.23 H new ATOM 0 HD22 ASN A 15 -3.855 18.221 -3.355 1.00 51.23 H new ATOM 229 N ASP A 16 -2.896 16.341 -0.710 1.00 2.54 N ATOM 230 CA ASP A 16 -4.001 16.556 0.220 1.00 13.03 C ATOM 231 C ASP A 16 -3.452 16.612 1.624 1.00 54.22 C ATOM 232 O ASP A 16 -3.550 17.636 2.309 1.00 54.33 O ATOM 233 CB ASP A 16 -5.071 15.416 0.162 1.00 12.52 C ATOM 234 CG ASP A 16 -6.203 15.735 1.131 1.00 14.22 C ATOM 235 OD1 ASP A 16 -6.926 16.735 0.911 1.00 70.31 O ATOM 236 OD2 ASP A 16 -6.381 14.989 2.106 1.00 61.43 O ATOM 0 H ASP A 16 -2.971 15.478 -1.248 1.00 2.54 H new ATOM 0 HA ASP A 16 -4.487 17.489 -0.066 1.00 13.03 H new ATOM 0 HB2 ASP A 16 -5.461 15.319 -0.851 1.00 12.52 H new ATOM 0 HB3 ASP A 16 -4.615 14.460 0.420 1.00 12.52 H new ATOM 241 N ASN A 17 -2.884 15.502 2.090 1.00 3.21 N ATOM 242 CA ASN A 17 -2.443 15.431 3.452 1.00 24.15 C ATOM 243 C ASN A 17 -1.266 14.516 3.435 1.00 42.41 C ATOM 244 O ASN A 17 -1.004 13.864 2.424 1.00 73.04 O ATOM 245 CB ASN A 17 -3.541 14.811 4.387 1.00 32.32 C ATOM 246 CG ASN A 17 -3.209 15.048 5.869 1.00 44.10 C ATOM 247 OD1 ASN A 17 -2.304 15.823 6.209 1.00 21.45 O ATOM 248 ND2 ASN A 17 -3.959 14.379 6.768 1.00 74.40 N ATOM 0 H ASN A 17 -2.726 14.657 1.541 1.00 3.21 H new ATOM 0 HA ASN A 17 -2.217 16.427 3.832 1.00 24.15 H new ATOM 0 HB2 ASN A 17 -4.511 15.251 4.154 1.00 32.32 H new ATOM 0 HB3 ASN A 17 -3.622 13.741 4.197 1.00 32.32 H new ATOM 0 HD21 ASN A 17 -3.790 14.503 7.766 1.00 74.40 H new ATOM 0 HD22 ASN A 17 -4.696 13.749 6.450 1.00 74.40 H new ATOM 255 N SER A 18 -0.512 14.490 4.554 1.00 65.34 N ATOM 256 CA SER A 18 0.613 13.592 4.759 1.00 25.30 C ATOM 257 C SER A 18 0.195 12.128 4.513 1.00 32.11 C ATOM 258 O SER A 18 -0.972 11.817 4.263 1.00 41.32 O ATOM 259 CB SER A 18 1.265 13.746 6.172 1.00 35.22 C ATOM 260 OG SER A 18 2.528 13.061 6.261 1.00 11.52 O ATOM 0 H SER A 18 -0.682 15.109 5.347 1.00 65.34 H new ATOM 0 HA SER A 18 1.372 13.874 4.030 1.00 25.30 H new ATOM 0 HB2 SER A 18 1.410 14.804 6.391 1.00 35.22 H new ATOM 0 HB3 SER A 18 0.586 13.354 6.929 1.00 35.22 H new ATOM 0 HG SER A 18 2.904 13.183 7.158 1.00 11.52 H new ATOM 266 N LEU A 19 1.207 11.230 4.538 1.00 32.32 N ATOM 267 CA LEU A 19 1.105 9.873 4.013 1.00 33.33 C ATOM 268 C LEU A 19 -0.018 9.131 4.718 1.00 55.13 C ATOM 269 O LEU A 19 -1.004 8.767 4.090 1.00 53.32 O ATOM 270 CB LEU A 19 2.484 9.131 4.210 1.00 60.42 C ATOM 271 CG LEU A 19 2.665 7.761 3.513 1.00 25.11 C ATOM 272 CD1 LEU A 19 2.175 6.594 4.358 1.00 43.21 C ATOM 273 CD2 LEU A 19 2.142 7.726 2.060 1.00 61.35 C ATOM 0 H LEU A 19 2.124 11.443 4.931 1.00 32.32 H new ATOM 0 HA LEU A 19 0.875 9.905 2.948 1.00 33.33 H new ATOM 0 HB2 LEU A 19 3.275 9.794 3.860 1.00 60.42 H new ATOM 0 HB3 LEU A 19 2.639 8.987 5.279 1.00 60.42 H new ATOM 0 HG LEU A 19 3.743 7.628 3.423 1.00 25.11 H new ATOM 0 HD11 LEU A 19 2.329 5.662 3.815 1.00 43.21 H new ATOM 0 HD12 LEU A 19 2.731 6.564 5.295 1.00 43.21 H new ATOM 0 HD13 LEU A 19 1.113 6.719 4.570 1.00 43.21 H new ATOM 0 HD21 LEU A 19 2.304 6.734 1.639 1.00 61.35 H new ATOM 0 HD22 LEU A 19 1.076 7.954 2.051 1.00 61.35 H new ATOM 0 HD23 LEU A 19 2.676 8.465 1.463 1.00 61.35 H new ATOM 285 N GLY A 20 0.071 9.012 6.056 1.00 53.21 N ATOM 286 CA GLY A 20 -1.020 8.447 6.872 1.00 42.41 C ATOM 287 C GLY A 20 -1.489 7.095 6.380 1.00 61.01 C ATOM 288 O GLY A 20 -2.701 6.872 6.213 1.00 61.14 O ATOM 0 H GLY A 20 0.888 9.300 6.595 1.00 53.21 H new ATOM 0 HA2 GLY A 20 -0.683 8.355 7.905 1.00 42.41 H new ATOM 0 HA3 GLY A 20 -1.862 9.139 6.872 1.00 42.41 H new ATOM 292 N ILE A 21 -0.562 6.159 6.175 1.00 54.24 N ATOM 293 CA ILE A 21 -0.920 4.813 5.802 1.00 34.54 C ATOM 294 C ILE A 21 -0.034 3.973 6.682 1.00 13.45 C ATOM 295 O ILE A 21 0.942 4.488 7.248 1.00 42.15 O ATOM 296 CB ILE A 21 -0.633 4.478 4.295 1.00 14.23 C ATOM 297 CG1 ILE A 21 -1.179 5.587 3.365 1.00 44.13 C ATOM 298 CG2 ILE A 21 -1.224 3.097 3.922 1.00 55.52 C ATOM 299 CD1 ILE A 21 -0.852 5.361 1.880 1.00 45.31 C ATOM 0 H ILE A 21 0.441 6.320 6.264 1.00 54.24 H new ATOM 0 HA ILE A 21 -1.990 4.643 5.924 1.00 34.54 H new ATOM 0 HB ILE A 21 0.447 4.433 4.157 1.00 14.23 H new ATOM 0 HG12 ILE A 21 -2.261 5.650 3.485 1.00 44.13 H new ATOM 0 HG13 ILE A 21 -0.767 6.547 3.677 1.00 44.13 H new ATOM 0 HG21 ILE A 21 -1.015 2.883 2.874 1.00 55.52 H new ATOM 0 HG22 ILE A 21 -0.772 2.327 4.547 1.00 55.52 H new ATOM 0 HG23 ILE A 21 -2.302 3.107 4.082 1.00 55.52 H new ATOM 0 HD11 ILE A 21 -1.266 6.177 1.288 1.00 45.31 H new ATOM 0 HD12 ILE A 21 0.229 5.328 1.746 1.00 45.31 H new ATOM 0 HD13 ILE A 21 -1.287 4.417 1.551 1.00 45.31 H new ATOM 311 N CYS A 22 -0.334 2.677 6.797 1.00 53.35 N ATOM 312 CA CYS A 22 0.573 1.741 7.398 1.00 1.23 C ATOM 313 C CYS A 22 0.219 0.477 6.732 1.00 23.51 C ATOM 314 O CYS A 22 -0.782 0.416 6.018 1.00 61.33 O ATOM 315 CB CYS A 22 0.339 1.483 8.903 1.00 12.41 C ATOM 316 SG CYS A 22 0.666 2.921 9.950 1.00 11.11 S ATOM 0 H CYS A 22 -1.210 2.265 6.474 1.00 53.35 H new ATOM 0 HA CYS A 22 1.592 2.113 7.295 1.00 1.23 H new ATOM 0 HB2 CYS A 22 -0.693 1.164 9.051 1.00 12.41 H new ATOM 0 HB3 CYS A 22 0.976 0.659 9.224 1.00 12.41 H new ATOM 321 N VAL A 23 1.071 -0.530 6.852 1.00 22.25 N ATOM 322 CA VAL A 23 0.958 -1.686 6.040 1.00 35.44 C ATOM 323 C VAL A 23 1.422 -2.836 6.891 1.00 64.43 C ATOM 324 O VAL A 23 1.925 -2.637 8.005 1.00 70.44 O ATOM 325 CB VAL A 23 1.811 -1.619 4.773 1.00 4.24 C ATOM 326 CG1 VAL A 23 1.030 -0.850 3.682 1.00 43.45 C ATOM 327 CG2 VAL A 23 3.151 -0.955 5.111 1.00 42.44 C ATOM 0 H VAL A 23 1.846 -0.550 7.515 1.00 22.25 H new ATOM 0 HA VAL A 23 -0.073 -1.789 5.702 1.00 35.44 H new ATOM 0 HB VAL A 23 2.023 -2.616 4.387 1.00 4.24 H new ATOM 0 HG11 VAL A 23 1.630 -0.797 2.774 1.00 43.45 H new ATOM 0 HG12 VAL A 23 0.096 -1.369 3.469 1.00 43.45 H new ATOM 0 HG13 VAL A 23 0.813 0.159 4.033 1.00 43.45 H new ATOM 0 HG21 VAL A 23 3.767 -0.902 4.214 1.00 42.44 H new ATOM 0 HG22 VAL A 23 2.973 0.052 5.489 1.00 42.44 H new ATOM 0 HG23 VAL A 23 3.666 -1.542 5.871 1.00 42.44 H new ATOM 337 N THR A 24 1.190 -4.043 6.394 1.00 22.10 N ATOM 338 CA THR A 24 1.553 -5.247 7.055 1.00 64.41 C ATOM 339 C THR A 24 1.838 -6.189 5.912 1.00 72.03 C ATOM 340 O THR A 24 1.546 -5.859 4.776 1.00 1.10 O ATOM 341 CB THR A 24 0.451 -5.806 7.978 1.00 73.25 C ATOM 342 OG1 THR A 24 0.889 -6.976 8.689 1.00 32.14 O ATOM 343 CG2 THR A 24 -0.824 -6.115 7.152 1.00 2.11 C ATOM 0 H THR A 24 0.731 -4.195 5.496 1.00 22.10 H new ATOM 0 HA THR A 24 2.396 -5.096 7.729 1.00 64.41 H new ATOM 0 HB THR A 24 0.221 -5.044 8.723 1.00 73.25 H new ATOM 0 HG1 THR A 24 0.165 -7.300 9.264 1.00 32.14 H new ATOM 0 HG21 THR A 24 -1.598 -6.509 7.811 1.00 2.11 H new ATOM 0 HG22 THR A 24 -1.182 -5.200 6.679 1.00 2.11 H new ATOM 0 HG23 THR A 24 -0.590 -6.853 6.384 1.00 2.11 H new ATOM 351 N GLY A 25 2.454 -7.338 6.185 1.00 72.43 N ATOM 352 CA GLY A 25 2.812 -8.265 5.125 1.00 64.23 C ATOM 353 C GLY A 25 4.284 -8.246 5.026 1.00 3.33 C ATOM 354 O GLY A 25 4.957 -7.695 5.897 1.00 5.32 O ATOM 0 H GLY A 25 2.712 -7.643 7.124 1.00 72.43 H new ATOM 0 HA2 GLY A 25 2.452 -9.269 5.351 1.00 64.23 H new ATOM 0 HA3 GLY A 25 2.356 -7.968 4.180 1.00 64.23 H new ATOM 358 N GLY A 26 4.836 -8.852 3.964 1.00 40.22 N ATOM 359 CA GLY A 26 6.260 -8.837 3.783 1.00 34.35 C ATOM 360 C GLY A 26 6.736 -10.248 3.785 1.00 12.34 C ATOM 361 O GLY A 26 6.395 -11.027 2.894 1.00 51.12 O ATOM 0 H GLY A 26 4.313 -9.345 3.240 1.00 40.22 H new ATOM 0 HA2 GLY A 26 6.520 -8.348 2.844 1.00 34.35 H new ATOM 0 HA3 GLY A 26 6.740 -8.271 4.581 1.00 34.35 H new ATOM 365 N VAL A 27 7.569 -10.605 4.799 1.00 71.15 N ATOM 366 CA VAL A 27 8.322 -11.865 4.864 1.00 3.11 C ATOM 367 C VAL A 27 7.445 -13.094 5.077 1.00 15.53 C ATOM 368 O VAL A 27 7.964 -14.123 5.512 1.00 54.14 O ATOM 369 CB VAL A 27 9.427 -11.861 5.913 1.00 5.11 C ATOM 370 CG1 VAL A 27 10.467 -10.818 5.493 1.00 70.42 C ATOM 371 CG2 VAL A 27 8.829 -11.596 7.313 1.00 72.11 C ATOM 0 H VAL A 27 7.732 -10.004 5.607 1.00 71.15 H new ATOM 0 HA VAL A 27 8.778 -11.933 3.877 1.00 3.11 H new ATOM 0 HB VAL A 27 9.921 -12.830 5.978 1.00 5.11 H new ATOM 0 HG11 VAL A 27 11.273 -10.792 6.227 1.00 70.42 H new ATOM 0 HG12 VAL A 27 10.873 -11.082 4.517 1.00 70.42 H new ATOM 0 HG13 VAL A 27 9.996 -9.837 5.436 1.00 70.42 H new ATOM 0 HG21 VAL A 27 9.627 -11.595 8.055 1.00 72.11 H new ATOM 0 HG22 VAL A 27 8.328 -10.628 7.317 1.00 72.11 H new ATOM 0 HG23 VAL A 27 8.109 -12.378 7.555 1.00 72.11 H new ATOM 381 N ASN A 28 6.129 -13.013 4.803 1.00 43.31 N ATOM 382 CA ASN A 28 5.169 -14.076 5.167 1.00 31.52 C ATOM 383 C ASN A 28 4.672 -13.809 6.527 1.00 75.31 C ATOM 384 O ASN A 28 4.946 -14.519 7.497 1.00 34.42 O ATOM 385 CB ASN A 28 5.582 -15.576 5.022 1.00 14.24 C ATOM 386 CG ASN A 28 5.882 -15.831 3.556 1.00 21.21 C ATOM 387 OD1 ASN A 28 5.076 -15.499 2.689 1.00 34.43 O ATOM 388 ND2 ASN A 28 7.048 -16.420 3.250 1.00 24.23 N ATOM 0 H ASN A 28 5.703 -12.217 4.328 1.00 43.31 H new ATOM 0 HA ASN A 28 4.406 -13.997 4.393 1.00 31.52 H new ATOM 0 HB2 ASN A 28 6.457 -15.793 5.635 1.00 14.24 H new ATOM 0 HB3 ASN A 28 4.781 -16.229 5.368 1.00 14.24 H new ATOM 0 HD21 ASN A 28 7.286 -16.604 2.275 1.00 24.23 H new ATOM 0 HD22 ASN A 28 7.696 -16.684 3.992 1.00 24.23 H new ATOM 395 N THR A 29 3.910 -12.723 6.587 1.00 51.23 N ATOM 396 CA THR A 29 3.128 -12.362 7.732 1.00 73.13 C ATOM 397 C THR A 29 1.851 -13.219 7.579 1.00 5.31 C ATOM 398 O THR A 29 1.853 -14.176 6.805 1.00 54.02 O ATOM 399 CB THR A 29 2.819 -10.870 7.768 1.00 65.00 C ATOM 400 OG1 THR A 29 4.009 -10.159 7.447 1.00 73.21 O ATOM 401 CG2 THR A 29 2.345 -10.424 9.171 1.00 65.52 C ATOM 0 H THR A 29 3.826 -12.062 5.815 1.00 51.23 H new ATOM 0 HA THR A 29 3.647 -12.547 8.672 1.00 73.13 H new ATOM 0 HB THR A 29 2.023 -10.663 7.053 1.00 65.00 H new ATOM 0 HG1 THR A 29 3.875 -9.203 7.618 1.00 73.21 H new ATOM 0 HG21 THR A 29 2.133 -9.355 9.161 1.00 65.52 H new ATOM 0 HG22 THR A 29 1.441 -10.970 9.440 1.00 65.52 H new ATOM 0 HG23 THR A 29 3.126 -10.632 9.902 1.00 65.52 H new ATOM 409 N SER A 30 0.779 -12.941 8.342 1.00 43.21 N ATOM 410 CA SER A 30 -0.430 -13.768 8.358 1.00 14.23 C ATOM 411 C SER A 30 -1.012 -13.990 6.952 1.00 13.24 C ATOM 412 O SER A 30 -1.775 -14.933 6.743 1.00 53.41 O ATOM 413 CB SER A 30 -1.534 -13.133 9.214 1.00 43.40 C ATOM 414 OG SER A 30 -1.005 -12.748 10.488 1.00 20.32 O ATOM 0 H SER A 30 0.731 -12.134 8.964 1.00 43.21 H new ATOM 0 HA SER A 30 -0.118 -14.724 8.779 1.00 14.23 H new ATOM 0 HB2 SER A 30 -1.946 -12.262 8.704 1.00 43.40 H new ATOM 0 HB3 SER A 30 -2.353 -13.840 9.349 1.00 43.40 H new ATOM 0 HG SER A 30 -1.715 -12.342 11.028 1.00 20.32 H new ATOM 420 N VAL A 31 -0.667 -13.134 5.964 1.00 22.42 N ATOM 421 CA VAL A 31 -1.211 -13.285 4.645 1.00 24.23 C ATOM 422 C VAL A 31 -0.272 -14.200 3.859 1.00 34.33 C ATOM 423 O VAL A 31 0.950 -14.020 3.855 1.00 54.25 O ATOM 424 CB VAL A 31 -1.415 -11.964 3.930 1.00 62.13 C ATOM 425 CG1 VAL A 31 -2.605 -11.253 4.615 1.00 33.24 C ATOM 426 CG2 VAL A 31 -0.107 -11.127 3.981 1.00 70.32 C ATOM 0 H VAL A 31 -0.023 -12.351 6.076 1.00 22.42 H new ATOM 0 HA VAL A 31 -2.206 -13.723 4.722 1.00 24.23 H new ATOM 0 HB VAL A 31 -1.645 -12.106 2.874 1.00 62.13 H new ATOM 0 HG11 VAL A 31 -2.785 -10.295 4.128 1.00 33.24 H new ATOM 0 HG12 VAL A 31 -3.496 -11.875 4.533 1.00 33.24 H new ATOM 0 HG13 VAL A 31 -2.373 -11.088 5.667 1.00 33.24 H new ATOM 0 HG21 VAL A 31 -0.261 -10.179 3.465 1.00 70.32 H new ATOM 0 HG22 VAL A 31 0.162 -10.935 5.020 1.00 70.32 H new ATOM 0 HG23 VAL A 31 0.697 -11.679 3.494 1.00 70.32 H new ATOM 436 N ARG A 32 -0.862 -15.248 3.234 1.00 32.14 N ATOM 437 CA ARG A 32 -0.106 -16.330 2.613 1.00 11.32 C ATOM 438 C ARG A 32 0.733 -15.812 1.472 1.00 53.43 C ATOM 439 O ARG A 32 1.897 -16.169 1.353 1.00 13.24 O ATOM 440 CB ARG A 32 -0.992 -17.481 2.067 1.00 71.45 C ATOM 441 CG ARG A 32 -0.182 -18.752 1.730 1.00 12.12 C ATOM 442 CD ARG A 32 -0.992 -19.874 1.065 1.00 1.31 C ATOM 443 NE ARG A 32 -2.151 -20.224 1.943 1.00 24.05 N ATOM 444 CZ ARG A 32 -2.944 -21.323 1.679 1.00 11.55 C ATOM 445 NH1 ARG A 32 -2.630 -22.181 0.648 1.00 52.24 N ATOM 446 NH2 ARG A 32 -4.039 -21.554 2.450 1.00 75.54 N ATOM 0 H ARG A 32 -1.873 -15.354 3.154 1.00 32.14 H new ATOM 0 HA ARG A 32 0.517 -16.732 3.412 1.00 11.32 H new ATOM 0 HB2 ARG A 32 -1.755 -17.727 2.805 1.00 71.45 H new ATOM 0 HB3 ARG A 32 -1.512 -17.140 1.172 1.00 71.45 H new ATOM 0 HG2 ARG A 32 0.641 -18.477 1.070 1.00 12.12 H new ATOM 0 HG3 ARG A 32 0.261 -19.138 2.648 1.00 12.12 H new ATOM 0 HD2 ARG A 32 -1.345 -19.553 0.085 1.00 1.31 H new ATOM 0 HD3 ARG A 32 -0.362 -20.749 0.906 1.00 1.31 H new ATOM 0 HE ARG A 32 -2.360 -19.640 2.752 1.00 24.05 H new ATOM 0 HH11 ARG A 32 -1.806 -22.007 0.073 1.00 52.24 H new ATOM 0 HH12 ARG A 32 -3.221 -22.990 0.460 1.00 52.24 H new ATOM 0 HH21 ARG A 32 -4.268 -20.919 3.214 1.00 75.54 H new ATOM 0 HH22 ARG A 32 -4.632 -22.363 2.264 1.00 75.54 H new ATOM 460 N HIS A 33 0.155 -14.965 0.590 1.00 2.52 N ATOM 461 CA HIS A 33 0.892 -14.512 -0.616 1.00 45.34 C ATOM 462 C HIS A 33 1.916 -13.465 -0.227 1.00 35.21 C ATOM 463 O HIS A 33 2.621 -12.952 -1.079 1.00 71.30 O ATOM 464 CB HIS A 33 -0.009 -13.889 -1.719 1.00 51.04 C ATOM 465 CG HIS A 33 -0.905 -14.887 -2.401 1.00 65.10 C ATOM 466 ND1 HIS A 33 -0.484 -15.630 -3.462 1.00 72.13 N ATOM 467 CD2 HIS A 33 -2.186 -15.228 -2.160 1.00 5.41 C ATOM 468 CE1 HIS A 33 -1.479 -16.404 -3.860 1.00 3.25 C ATOM 469 NE2 HIS A 33 -2.529 -16.176 -3.084 1.00 21.22 N ATOM 0 H HIS A 33 -0.789 -14.590 0.683 1.00 2.52 H new ATOM 0 HA HIS A 33 1.350 -15.412 -1.027 1.00 45.34 H new ATOM 0 HB2 HIS A 33 -0.623 -13.106 -1.275 1.00 51.04 H new ATOM 0 HB3 HIS A 33 0.624 -13.412 -2.467 1.00 51.04 H new ATOM 0 HD2 HIS A 33 -2.822 -14.828 -1.384 1.00 5.41 H new ATOM 0 HE1 HIS A 33 -1.442 -17.105 -4.681 1.00 3.25 H new ATOM 0 HE2 HIS A 33 -3.439 -16.631 -3.163 1.00 21.22 H new ATOM 478 N GLY A 34 2.032 -13.142 1.084 1.00 3.34 N ATOM 479 CA GLY A 34 3.030 -12.175 1.558 1.00 50.54 C ATOM 480 C GLY A 34 2.724 -10.808 1.007 1.00 35.34 C ATOM 481 O GLY A 34 3.611 -9.955 0.914 1.00 15.14 O ATOM 0 H GLY A 34 1.448 -13.538 1.821 1.00 3.34 H new ATOM 0 HA2 GLY A 34 3.031 -12.145 2.648 1.00 50.54 H new ATOM 0 HA3 GLY A 34 4.027 -12.487 1.247 1.00 50.54 H new ATOM 485 N GLY A 35 1.449 -10.580 0.617 1.00 64.34 N ATOM 486 CA GLY A 35 1.045 -9.303 0.057 1.00 71.51 C ATOM 487 C GLY A 35 1.202 -8.260 1.116 1.00 60.31 C ATOM 488 O GLY A 35 1.095 -8.554 2.306 1.00 61.40 O ATOM 0 H GLY A 35 0.699 -11.268 0.685 1.00 64.34 H new ATOM 0 HA2 GLY A 35 1.656 -9.058 -0.812 1.00 71.51 H new ATOM 0 HA3 GLY A 35 0.010 -9.347 -0.283 1.00 71.51 H new ATOM 492 N ILE A 36 1.470 -7.022 0.700 1.00 12.10 N ATOM 493 CA ILE A 36 1.644 -5.944 1.623 1.00 31.30 C ATOM 494 C ILE A 36 0.267 -5.330 1.733 1.00 73.14 C ATOM 495 O ILE A 36 -0.197 -4.695 0.812 1.00 23.12 O ATOM 496 CB ILE A 36 2.637 -4.903 1.086 1.00 12.14 C ATOM 497 CG1 ILE A 36 4.034 -5.550 0.811 1.00 52.33 C ATOM 498 CG2 ILE A 36 2.701 -3.690 2.037 1.00 22.42 C ATOM 499 CD1 ILE A 36 5.033 -5.457 1.984 1.00 63.20 C ATOM 0 H ILE A 36 1.568 -6.758 -0.280 1.00 12.10 H new ATOM 0 HA ILE A 36 2.043 -6.286 2.578 1.00 31.30 H new ATOM 0 HB ILE A 36 2.286 -4.531 0.123 1.00 12.14 H new ATOM 0 HG12 ILE A 36 3.889 -6.600 0.558 1.00 52.33 H new ATOM 0 HG13 ILE A 36 4.475 -5.070 -0.063 1.00 52.33 H new ATOM 0 HG21 ILE A 36 3.408 -2.958 1.646 1.00 22.42 H new ATOM 0 HG22 ILE A 36 1.713 -3.235 2.114 1.00 22.42 H new ATOM 0 HG23 ILE A 36 3.027 -4.018 3.024 1.00 22.42 H new ATOM 0 HD11 ILE A 36 5.972 -5.932 1.701 1.00 63.20 H new ATOM 0 HD12 ILE A 36 5.214 -4.410 2.225 1.00 63.20 H new ATOM 0 HD13 ILE A 36 4.619 -5.964 2.856 1.00 63.20 H new ATOM 511 N TYR A 37 -0.438 -5.568 2.842 1.00 23.32 N ATOM 512 CA TYR A 37 -1.809 -5.104 2.949 1.00 1.12 C ATOM 513 C TYR A 37 -1.770 -3.844 3.696 1.00 63.04 C ATOM 514 O TYR A 37 -1.010 -3.707 4.647 1.00 42.52 O ATOM 515 CB TYR A 37 -2.778 -6.041 3.739 1.00 1.32 C ATOM 516 CG TYR A 37 -3.160 -7.203 2.872 1.00 11.32 C ATOM 517 CD1 TYR A 37 -2.194 -8.133 2.452 1.00 65.05 C ATOM 518 CD2 TYR A 37 -4.511 -7.395 2.473 1.00 23.04 C ATOM 519 CE1 TYR A 37 -2.545 -9.217 1.648 1.00 34.24 C ATOM 520 CE2 TYR A 37 -4.869 -8.496 1.679 1.00 53.20 C ATOM 521 CZ TYR A 37 -3.883 -9.410 1.264 1.00 4.33 C ATOM 522 OH TYR A 37 -4.233 -10.522 0.481 1.00 42.32 O ATOM 0 H TYR A 37 -0.086 -6.069 3.658 1.00 23.32 H new ATOM 0 HA TYR A 37 -2.189 -5.040 1.929 1.00 1.12 H new ATOM 0 HB2 TYR A 37 -2.297 -6.395 4.651 1.00 1.32 H new ATOM 0 HB3 TYR A 37 -3.669 -5.490 4.042 1.00 1.32 H new ATOM 0 HD1 TYR A 37 -1.165 -8.007 2.756 1.00 65.05 H new ATOM 0 HD2 TYR A 37 -5.267 -6.689 2.783 1.00 23.04 H new ATOM 0 HE1 TYR A 37 -1.786 -9.911 1.319 1.00 34.24 H new ATOM 0 HE2 TYR A 37 -5.899 -8.641 1.387 1.00 53.20 H new ATOM 0 HH TYR A 37 -5.205 -10.644 0.503 1.00 42.32 H new ATOM 532 N VAL A 38 -2.622 -2.887 3.299 1.00 70.41 N ATOM 533 CA VAL A 38 -2.796 -1.678 4.055 1.00 64.41 C ATOM 534 C VAL A 38 -3.386 -2.073 5.389 1.00 64.50 C ATOM 535 O VAL A 38 -4.281 -2.934 5.464 1.00 71.24 O ATOM 536 CB VAL A 38 -3.694 -0.668 3.367 1.00 12.40 C ATOM 537 CG1 VAL A 38 -3.791 0.604 4.236 1.00 54.43 C ATOM 538 CG2 VAL A 38 -3.110 -0.392 1.962 1.00 35.24 C ATOM 0 H VAL A 38 -3.193 -2.945 2.456 1.00 70.41 H new ATOM 0 HA VAL A 38 -1.829 -1.187 4.164 1.00 64.41 H new ATOM 0 HB VAL A 38 -4.710 -1.045 3.246 1.00 12.40 H new ATOM 0 HG11 VAL A 38 -4.436 1.332 3.744 1.00 54.43 H new ATOM 0 HG12 VAL A 38 -4.209 0.348 5.210 1.00 54.43 H new ATOM 0 HG13 VAL A 38 -2.797 1.031 4.368 1.00 54.43 H new ATOM 0 HG21 VAL A 38 -3.737 0.333 1.443 1.00 35.24 H new ATOM 0 HG22 VAL A 38 -2.100 0.006 2.060 1.00 35.24 H new ATOM 0 HG23 VAL A 38 -3.080 -1.320 1.392 1.00 35.24 H new ATOM 548 N LYS A 39 -2.839 -1.486 6.461 1.00 32.34 N ATOM 549 CA LYS A 39 -3.144 -1.897 7.799 1.00 0.12 C ATOM 550 C LYS A 39 -3.992 -0.825 8.389 1.00 21.40 C ATOM 551 O LYS A 39 -4.992 -1.104 9.034 1.00 52.12 O ATOM 552 CB LYS A 39 -1.854 -2.018 8.667 1.00 62.21 C ATOM 553 CG LYS A 39 -2.056 -2.384 10.158 1.00 2.52 C ATOM 554 CD LYS A 39 -2.489 -3.833 10.418 1.00 22.03 C ATOM 555 CE LYS A 39 -4.010 -4.071 10.331 1.00 10.42 C ATOM 556 NZ LYS A 39 -4.348 -5.465 10.672 1.00 44.32 N ATOM 0 H LYS A 39 -2.175 -0.714 6.404 1.00 32.34 H new ATOM 0 HA LYS A 39 -3.636 -2.869 7.779 1.00 0.12 H new ATOM 0 HB2 LYS A 39 -1.208 -2.771 8.215 1.00 62.21 H new ATOM 0 HB3 LYS A 39 -1.320 -1.069 8.618 1.00 62.21 H new ATOM 0 HG2 LYS A 39 -1.124 -2.198 10.692 1.00 2.52 H new ATOM 0 HG3 LYS A 39 -2.805 -1.715 10.582 1.00 2.52 H new ATOM 0 HD2 LYS A 39 -1.991 -4.483 9.698 1.00 22.03 H new ATOM 0 HD3 LYS A 39 -2.144 -4.130 11.408 1.00 22.03 H new ATOM 0 HE2 LYS A 39 -4.527 -3.392 11.009 1.00 10.42 H new ATOM 0 HE3 LYS A 39 -4.360 -3.844 9.324 1.00 10.42 H new ATOM 0 HZ1 LYS A 39 -5.377 -5.599 10.606 1.00 44.32 H new ATOM 0 HZ2 LYS A 39 -3.872 -6.110 10.009 1.00 44.32 H new ATOM 0 HZ3 LYS A 39 -4.034 -5.671 11.642 1.00 44.32 H new ATOM 570 N ALA A 40 -3.595 0.441 8.188 1.00 54.13 N ATOM 571 CA ALA A 40 -4.282 1.536 8.817 1.00 10.33 C ATOM 572 C ALA A 40 -4.258 2.635 7.837 1.00 32.44 C ATOM 573 O ALA A 40 -3.387 2.667 6.967 1.00 51.23 O ATOM 574 CB ALA A 40 -3.590 2.054 10.099 1.00 44.44 C ATOM 0 H ALA A 40 -2.808 0.711 7.598 1.00 54.13 H new ATOM 0 HA ALA A 40 -5.277 1.198 9.106 1.00 10.33 H new ATOM 0 HB1 ALA A 40 -4.167 2.879 10.516 1.00 44.44 H new ATOM 0 HB2 ALA A 40 -3.529 1.248 10.830 1.00 44.44 H new ATOM 0 HB3 ALA A 40 -2.585 2.400 9.856 1.00 44.44 H new ATOM 580 N VAL A 41 -5.223 3.561 7.961 1.00 54.03 N ATOM 581 CA VAL A 41 -5.267 4.728 7.137 1.00 2.12 C ATOM 582 C VAL A 41 -5.793 5.797 8.061 1.00 73.30 C ATOM 583 O VAL A 41 -6.716 5.533 8.849 1.00 53.34 O ATOM 584 CB VAL A 41 -6.222 4.614 5.933 1.00 40.10 C ATOM 585 CG1 VAL A 41 -6.104 5.891 5.076 1.00 40.32 C ATOM 586 CG2 VAL A 41 -5.871 3.341 5.134 1.00 55.21 C ATOM 0 H VAL A 41 -5.982 3.500 8.640 1.00 54.03 H new ATOM 0 HA VAL A 41 -4.283 4.918 6.709 1.00 2.12 H new ATOM 0 HB VAL A 41 -7.258 4.528 6.261 1.00 40.10 H new ATOM 0 HG11 VAL A 41 -6.777 5.819 4.221 1.00 40.32 H new ATOM 0 HG12 VAL A 41 -6.373 6.759 5.678 1.00 40.32 H new ATOM 0 HG13 VAL A 41 -5.079 5.999 4.723 1.00 40.32 H new ATOM 0 HG21 VAL A 41 -6.542 3.251 4.279 1.00 55.21 H new ATOM 0 HG22 VAL A 41 -4.841 3.405 4.782 1.00 55.21 H new ATOM 0 HG23 VAL A 41 -5.982 2.467 5.775 1.00 55.21 H new ATOM 596 N ILE A 42 -5.191 7.009 8.020 1.00 12.53 N ATOM 597 CA ILE A 42 -5.680 8.127 8.840 1.00 23.30 C ATOM 598 C ILE A 42 -7.023 8.521 8.259 1.00 70.31 C ATOM 599 O ILE A 42 -7.204 8.483 7.040 1.00 63.41 O ATOM 600 CB ILE A 42 -4.738 9.378 8.825 1.00 71.10 C ATOM 601 CG1 ILE A 42 -3.293 8.987 9.032 1.00 34.13 C ATOM 602 CG2 ILE A 42 -5.191 10.413 9.868 1.00 2.24 C ATOM 603 CD1 ILE A 42 -3.050 8.200 10.269 1.00 61.10 C ATOM 0 H ILE A 42 -4.383 7.229 7.438 1.00 12.53 H new ATOM 0 HA ILE A 42 -5.732 7.801 9.879 1.00 23.30 H new ATOM 0 HB ILE A 42 -4.810 9.837 7.839 1.00 71.10 H new ATOM 0 HG12 ILE A 42 -2.958 8.406 8.173 1.00 34.13 H new ATOM 0 HG13 ILE A 42 -2.684 9.890 9.063 1.00 34.13 H new ATOM 0 HG21 ILE A 42 -4.523 11.274 9.841 1.00 2.24 H new ATOM 0 HG22 ILE A 42 -6.208 10.735 9.643 1.00 2.24 H new ATOM 0 HG23 ILE A 42 -5.164 9.964 10.861 1.00 2.24 H new ATOM 0 HD11 ILE A 42 -1.990 7.959 10.344 1.00 61.10 H new ATOM 0 HD12 ILE A 42 -3.352 8.785 11.138 1.00 61.10 H new ATOM 0 HD13 ILE A 42 -3.630 7.278 10.233 1.00 61.10 H new ATOM 615 N PRO A 43 -7.979 8.919 9.124 1.00 32.03 N ATOM 616 CA PRO A 43 -9.199 9.573 8.685 1.00 3.33 C ATOM 617 C PRO A 43 -8.807 10.822 7.932 1.00 3.13 C ATOM 618 O PRO A 43 -8.208 11.723 8.524 1.00 61.25 O ATOM 619 CB PRO A 43 -9.975 9.888 9.982 1.00 65.24 C ATOM 620 CG PRO A 43 -8.923 9.794 11.105 1.00 44.44 C ATOM 621 CD PRO A 43 -7.930 8.757 10.583 1.00 5.33 C ATOM 0 HA PRO A 43 -9.817 8.972 8.018 1.00 3.33 H new ATOM 0 HB2 PRO A 43 -10.424 10.881 9.943 1.00 65.24 H new ATOM 0 HB3 PRO A 43 -10.786 9.177 10.140 1.00 65.24 H new ATOM 0 HG2 PRO A 43 -8.441 10.755 11.284 1.00 44.44 H new ATOM 0 HG3 PRO A 43 -9.371 9.481 12.048 1.00 44.44 H new ATOM 0 HD2 PRO A 43 -6.927 8.935 10.971 1.00 5.33 H new ATOM 0 HD3 PRO A 43 -8.213 7.748 10.882 1.00 5.33 H new ATOM 629 N GLN A 44 -9.110 10.856 6.626 1.00 33.12 N ATOM 630 CA GLN A 44 -8.678 11.901 5.731 1.00 60.11 C ATOM 631 C GLN A 44 -7.163 11.974 5.666 1.00 2.34 C ATOM 632 O GLN A 44 -6.599 13.063 5.487 1.00 71.01 O ATOM 633 CB GLN A 44 -9.263 13.309 6.002 1.00 71.32 C ATOM 634 CG GLN A 44 -10.794 13.349 5.956 1.00 62.41 C ATOM 635 CD GLN A 44 -11.217 14.810 6.051 1.00 25.22 C ATOM 636 OE1 GLN A 44 -11.039 15.452 7.089 1.00 44.23 O ATOM 637 NE2 GLN A 44 -11.771 15.361 4.958 1.00 41.20 N ATOM 0 H GLN A 44 -9.673 10.138 6.169 1.00 33.12 H new ATOM 0 HA GLN A 44 -9.089 11.603 4.766 1.00 60.11 H new ATOM 0 HB2 GLN A 44 -8.927 13.652 6.980 1.00 71.32 H new ATOM 0 HB3 GLN A 44 -8.866 14.008 5.265 1.00 71.32 H new ATOM 0 HG2 GLN A 44 -11.162 12.903 5.032 1.00 62.41 H new ATOM 0 HG3 GLN A 44 -11.218 12.773 6.779 1.00 62.41 H new ATOM 0 HE21 GLN A 44 -11.904 14.801 4.116 1.00 41.20 H new ATOM 0 HE22 GLN A 44 -12.059 16.339 4.970 1.00 41.20 H new ATOM 646 N GLY A 45 -6.454 10.809 5.735 1.00 40.31 N ATOM 647 CA GLY A 45 -5.071 10.789 5.318 1.00 74.14 C ATOM 648 C GLY A 45 -5.075 10.807 3.812 1.00 32.11 C ATOM 649 O GLY A 45 -6.140 10.795 3.183 1.00 30.23 O ATOM 0 H GLY A 45 -6.824 9.918 6.066 1.00 40.31 H new ATOM 0 HA2 GLY A 45 -4.534 11.651 5.714 1.00 74.14 H new ATOM 0 HA3 GLY A 45 -4.566 9.899 5.693 1.00 74.14 H new ATOM 653 N ALA A 46 -3.865 10.826 3.193 1.00 12.50 N ATOM 654 CA ALA A 46 -3.742 11.010 1.744 1.00 25.52 C ATOM 655 C ALA A 46 -4.479 9.901 1.034 1.00 61.22 C ATOM 656 O ALA A 46 -5.199 10.134 0.068 1.00 71.04 O ATOM 657 CB ALA A 46 -2.271 10.982 1.253 1.00 42.25 C ATOM 0 H ALA A 46 -2.975 10.716 3.680 1.00 12.50 H new ATOM 0 HA ALA A 46 -4.162 11.990 1.519 1.00 25.52 H new ATOM 0 HB1 ALA A 46 -2.245 11.123 0.173 1.00 42.25 H new ATOM 0 HB2 ALA A 46 -1.711 11.782 1.737 1.00 42.25 H new ATOM 0 HB3 ALA A 46 -1.822 10.021 1.504 1.00 42.25 H new ATOM 663 N ALA A 47 -4.310 8.656 1.533 1.00 53.50 N ATOM 664 CA ALA A 47 -4.889 7.475 0.896 1.00 35.53 C ATOM 665 C ALA A 47 -6.391 7.591 0.887 1.00 71.44 C ATOM 666 O ALA A 47 -7.027 7.389 -0.148 1.00 43.33 O ATOM 667 CB ALA A 47 -4.541 6.175 1.645 1.00 42.43 C ATOM 0 H ALA A 47 -3.774 8.454 2.377 1.00 53.50 H new ATOM 0 HA ALA A 47 -4.477 7.430 -0.112 1.00 35.53 H new ATOM 0 HB1 ALA A 47 -4.995 5.327 1.132 1.00 42.43 H new ATOM 0 HB2 ALA A 47 -3.459 6.048 1.669 1.00 42.43 H new ATOM 0 HB3 ALA A 47 -4.923 6.229 2.664 1.00 42.43 H new ATOM 673 N GLU A 48 -6.989 7.910 2.063 1.00 42.24 N ATOM 674 CA GLU A 48 -8.443 7.931 2.182 1.00 43.23 C ATOM 675 C GLU A 48 -8.994 9.046 1.340 1.00 42.01 C ATOM 676 O GLU A 48 -10.009 8.880 0.677 1.00 55.52 O ATOM 677 CB GLU A 48 -8.975 8.100 3.630 1.00 72.44 C ATOM 678 CG GLU A 48 -10.499 7.893 3.712 1.00 75.53 C ATOM 679 CD GLU A 48 -10.928 7.920 5.148 1.00 33.24 C ATOM 680 OE1 GLU A 48 -10.889 9.006 5.761 1.00 44.12 O ATOM 681 OE2 GLU A 48 -11.335 6.859 5.666 1.00 35.30 O ATOM 0 H GLU A 48 -6.487 8.149 2.918 1.00 42.24 H new ATOM 0 HA GLU A 48 -8.779 6.951 1.842 1.00 43.23 H new ATOM 0 HB2 GLU A 48 -8.476 7.386 4.285 1.00 72.44 H new ATOM 0 HB3 GLU A 48 -8.724 9.096 3.995 1.00 72.44 H new ATOM 0 HG2 GLU A 48 -11.014 8.674 3.152 1.00 75.53 H new ATOM 0 HG3 GLU A 48 -10.773 6.941 3.257 1.00 75.53 H new ATOM 688 N SER A 49 -8.319 10.200 1.330 1.00 52.43 N ATOM 689 CA SER A 49 -8.791 11.343 0.580 1.00 2.31 C ATOM 690 C SER A 49 -8.762 11.017 -0.898 1.00 3.23 C ATOM 691 O SER A 49 -9.639 11.434 -1.648 1.00 71.11 O ATOM 692 CB SER A 49 -7.918 12.579 0.819 1.00 14.41 C ATOM 693 OG SER A 49 -7.997 12.962 2.194 1.00 42.31 O ATOM 0 H SER A 49 -7.447 10.356 1.835 1.00 52.43 H new ATOM 0 HA SER A 49 -9.805 11.563 0.914 1.00 2.31 H new ATOM 0 HB2 SER A 49 -6.884 12.364 0.550 1.00 14.41 H new ATOM 0 HB3 SER A 49 -8.249 13.400 0.183 1.00 14.41 H new ATOM 0 HG SER A 49 -7.202 13.483 2.435 1.00 42.31 H new ATOM 699 N ASP A 50 -7.748 10.246 -1.343 1.00 71.15 N ATOM 700 CA ASP A 50 -7.650 9.903 -2.767 1.00 44.04 C ATOM 701 C ASP A 50 -8.752 8.912 -3.094 1.00 31.52 C ATOM 702 O ASP A 50 -9.321 8.920 -4.187 1.00 43.33 O ATOM 703 CB ASP A 50 -6.296 9.296 -3.203 1.00 30.30 C ATOM 704 CG ASP A 50 -6.195 9.439 -4.716 1.00 34.21 C ATOM 705 OD1 ASP A 50 -6.246 10.590 -5.202 1.00 54.42 O ATOM 706 OD2 ASP A 50 -6.081 8.428 -5.421 1.00 32.04 O ATOM 0 H ASP A 50 -7.009 9.862 -0.754 1.00 71.15 H new ATOM 0 HA ASP A 50 -7.746 10.841 -3.313 1.00 44.04 H new ATOM 0 HB2 ASP A 50 -5.470 9.811 -2.713 1.00 30.30 H new ATOM 0 HB3 ASP A 50 -6.235 8.247 -2.912 1.00 30.30 H new ATOM 711 N GLY A 51 -9.101 8.064 -2.110 1.00 22.41 N ATOM 712 CA GLY A 51 -10.251 7.177 -2.238 1.00 61.30 C ATOM 713 C GLY A 51 -9.854 5.895 -2.896 1.00 13.04 C ATOM 714 O GLY A 51 -10.556 4.901 -2.783 1.00 11.12 O ATOM 0 H GLY A 51 -8.601 7.981 -1.225 1.00 22.41 H new ATOM 0 HA2 GLY A 51 -10.671 6.972 -1.253 1.00 61.30 H new ATOM 0 HA3 GLY A 51 -11.031 7.666 -2.822 1.00 61.30 H new ATOM 718 N ARG A 52 -8.718 5.886 -3.616 1.00 20.31 N ATOM 719 CA ARG A 52 -8.307 4.701 -4.357 1.00 54.01 C ATOM 720 C ARG A 52 -7.839 3.680 -3.376 1.00 2.11 C ATOM 721 O ARG A 52 -8.197 2.509 -3.477 1.00 12.12 O ATOM 722 CB ARG A 52 -7.131 4.961 -5.336 1.00 3.10 C ATOM 723 CG ARG A 52 -7.563 5.445 -6.723 1.00 43.15 C ATOM 724 CD ARG A 52 -8.490 6.665 -6.720 1.00 74.34 C ATOM 725 NE ARG A 52 -8.744 7.032 -8.155 1.00 63.53 N ATOM 726 CZ ARG A 52 -8.188 8.168 -8.725 1.00 51.41 C ATOM 727 NH1 ARG A 52 -7.393 9.008 -7.982 1.00 35.03 N ATOM 728 NH2 ARG A 52 -8.428 8.443 -10.041 1.00 65.20 N ATOM 0 H ARG A 52 -8.082 6.679 -3.695 1.00 20.31 H new ATOM 0 HA ARG A 52 -9.168 4.378 -4.942 1.00 54.01 H new ATOM 0 HB2 ARG A 52 -6.464 5.703 -4.896 1.00 3.10 H new ATOM 0 HB3 ARG A 52 -6.556 4.042 -5.447 1.00 3.10 H new ATOM 0 HG2 ARG A 52 -6.671 5.686 -7.302 1.00 43.15 H new ATOM 0 HG3 ARG A 52 -8.066 4.626 -7.237 1.00 43.15 H new ATOM 0 HD2 ARG A 52 -9.426 6.436 -6.210 1.00 74.34 H new ATOM 0 HD3 ARG A 52 -8.030 7.496 -6.186 1.00 74.34 H new ATOM 0 HE ARG A 52 -9.340 6.431 -8.724 1.00 63.53 H new ATOM 0 HH11 ARG A 52 -7.207 8.799 -7.001 1.00 35.03 H new ATOM 0 HH12 ARG A 52 -6.989 9.840 -8.411 1.00 35.03 H new ATOM 0 HH21 ARG A 52 -9.011 7.816 -10.595 1.00 65.20 H new ATOM 0 HH22 ARG A 52 -8.024 9.276 -10.470 1.00 65.20 H new ATOM 742 N ILE A 53 -7.035 4.102 -2.404 1.00 12.31 N ATOM 743 CA ILE A 53 -6.424 3.168 -1.499 1.00 51.22 C ATOM 744 C ILE A 53 -7.283 3.172 -0.260 1.00 41.12 C ATOM 745 O ILE A 53 -7.949 4.169 0.049 1.00 15.34 O ATOM 746 CB ILE A 53 -4.979 3.541 -1.176 1.00 41.02 C ATOM 747 CG1 ILE A 53 -4.210 3.760 -2.501 1.00 1.35 C ATOM 748 CG2 ILE A 53 -4.334 2.443 -0.285 1.00 3.52 C ATOM 749 CD1 ILE A 53 -2.740 4.094 -2.310 1.00 31.43 C ATOM 0 H ILE A 53 -6.800 5.080 -2.234 1.00 12.31 H new ATOM 0 HA ILE A 53 -6.370 2.175 -1.946 1.00 51.22 H new ATOM 0 HB ILE A 53 -4.939 4.471 -0.608 1.00 41.02 H new ATOM 0 HG12 ILE A 53 -4.292 2.860 -3.111 1.00 1.35 H new ATOM 0 HG13 ILE A 53 -4.687 4.567 -3.058 1.00 1.35 H new ATOM 0 HG21 ILE A 53 -3.303 2.717 -0.059 1.00 3.52 H new ATOM 0 HG22 ILE A 53 -4.897 2.351 0.644 1.00 3.52 H new ATOM 0 HG23 ILE A 53 -4.349 1.490 -0.814 1.00 3.52 H new ATOM 0 HD11 ILE A 53 -2.269 4.233 -3.283 1.00 31.43 H new ATOM 0 HD12 ILE A 53 -2.648 5.011 -1.728 1.00 31.43 H new ATOM 0 HD13 ILE A 53 -2.247 3.278 -1.782 1.00 31.43 H new ATOM 761 N HIS A 54 -7.336 2.035 0.435 1.00 41.10 N ATOM 762 CA HIS A 54 -8.185 1.898 1.578 1.00 30.42 C ATOM 763 C HIS A 54 -7.509 0.898 2.444 1.00 30.01 C ATOM 764 O HIS A 54 -6.545 0.269 2.023 1.00 35.22 O ATOM 765 CB HIS A 54 -9.590 1.351 1.203 1.00 41.51 C ATOM 766 CG HIS A 54 -9.531 0.126 0.343 1.00 65.34 C ATOM 767 ND1 HIS A 54 -9.327 -1.125 0.853 1.00 75.55 N ATOM 768 CD2 HIS A 54 -9.571 0.009 -0.994 1.00 71.00 C ATOM 769 CE1 HIS A 54 -9.244 -1.973 -0.154 1.00 34.53 C ATOM 770 NE2 HIS A 54 -9.392 -1.301 -1.287 1.00 64.32 N ATOM 0 H HIS A 54 -6.791 1.202 0.210 1.00 41.10 H new ATOM 0 HA HIS A 54 -8.335 2.867 2.055 1.00 30.42 H new ATOM 0 HB2 HIS A 54 -10.140 1.121 2.116 1.00 41.51 H new ATOM 0 HB3 HIS A 54 -10.149 2.128 0.681 1.00 41.51 H new ATOM 0 HD1 HIS A 54 -9.252 -1.362 1.842 1.00 75.55 H new ATOM 0 HD2 HIS A 54 -9.718 0.810 -1.703 1.00 71.00 H new ATOM 0 HE1 HIS A 54 -9.082 -3.037 -0.069 1.00 34.53 H new ATOM 779 N LYS A 55 -7.996 0.724 3.688 1.00 13.12 N ATOM 780 CA LYS A 55 -7.465 -0.282 4.596 1.00 64.10 C ATOM 781 C LYS A 55 -7.820 -1.626 4.007 1.00 50.34 C ATOM 782 O LYS A 55 -8.890 -1.771 3.422 1.00 61.21 O ATOM 783 CB LYS A 55 -8.074 -0.128 6.032 1.00 61.32 C ATOM 784 CG LYS A 55 -7.640 -1.157 7.099 1.00 13.41 C ATOM 785 CD LYS A 55 -8.540 -2.402 7.165 1.00 1.21 C ATOM 786 CE LYS A 55 -8.296 -3.277 8.413 1.00 43.23 C ATOM 787 NZ LYS A 55 -9.215 -4.429 8.417 1.00 53.13 N ATOM 0 H LYS A 55 -8.760 1.276 4.078 1.00 13.12 H new ATOM 0 HA LYS A 55 -6.386 -0.172 4.703 1.00 64.10 H new ATOM 0 HB2 LYS A 55 -7.822 0.867 6.400 1.00 61.32 H new ATOM 0 HB3 LYS A 55 -9.160 -0.170 5.944 1.00 61.32 H new ATOM 0 HG2 LYS A 55 -6.617 -1.471 6.892 1.00 13.41 H new ATOM 0 HG3 LYS A 55 -7.634 -0.673 8.076 1.00 13.41 H new ATOM 0 HD2 LYS A 55 -9.583 -2.087 7.151 1.00 1.21 H new ATOM 0 HD3 LYS A 55 -8.377 -3.005 6.272 1.00 1.21 H new ATOM 0 HE2 LYS A 55 -7.264 -3.627 8.424 1.00 43.23 H new ATOM 0 HE3 LYS A 55 -8.442 -2.684 9.316 1.00 43.23 H new ATOM 0 HZ1 LYS A 55 -9.422 -4.704 9.398 1.00 53.13 H new ATOM 0 HZ2 LYS A 55 -10.100 -4.169 7.936 1.00 53.13 H new ATOM 0 HZ3 LYS A 55 -8.772 -5.228 7.919 1.00 53.13 H new ATOM 801 N GLY A 56 -6.929 -2.640 4.108 1.00 31.31 N ATOM 802 CA GLY A 56 -7.276 -3.963 3.605 1.00 51.53 C ATOM 803 C GLY A 56 -6.885 -4.087 2.162 1.00 74.40 C ATOM 804 O GLY A 56 -7.076 -5.138 1.565 1.00 51.14 O ATOM 0 H GLY A 56 -5.999 -2.561 4.520 1.00 31.31 H new ATOM 0 HA2 GLY A 56 -6.770 -4.728 4.194 1.00 51.53 H new ATOM 0 HA3 GLY A 56 -8.347 -4.133 3.715 1.00 51.53 H new ATOM 808 N ASP A 57 -6.363 -2.998 1.540 1.00 11.33 N ATOM 809 CA ASP A 57 -6.045 -3.057 0.109 1.00 61.53 C ATOM 810 C ASP A 57 -4.720 -3.758 -0.017 1.00 22.53 C ATOM 811 O ASP A 57 -3.913 -3.704 0.909 1.00 14.51 O ATOM 812 CB ASP A 57 -5.941 -1.656 -0.566 1.00 4.45 C ATOM 813 CG ASP A 57 -6.401 -1.740 -2.013 1.00 45.21 C ATOM 814 OD1 ASP A 57 -6.694 -2.854 -2.503 1.00 13.40 O ATOM 815 OD2 ASP A 57 -6.557 -0.678 -2.633 1.00 35.14 O ATOM 0 H ASP A 57 -6.163 -2.107 1.994 1.00 11.33 H new ATOM 0 HA ASP A 57 -6.855 -3.581 -0.399 1.00 61.53 H new ATOM 0 HB2 ASP A 57 -6.552 -0.935 -0.023 1.00 4.45 H new ATOM 0 HB3 ASP A 57 -4.912 -1.298 -0.523 1.00 4.45 H new ATOM 820 N ARG A 58 -4.488 -4.466 -1.140 1.00 63.43 N ATOM 821 CA ARG A 58 -3.293 -5.288 -1.279 1.00 14.25 C ATOM 822 C ARG A 58 -2.342 -4.536 -2.157 1.00 14.33 C ATOM 823 O ARG A 58 -2.636 -4.284 -3.315 1.00 5.42 O ATOM 824 CB ARG A 58 -3.574 -6.661 -1.965 1.00 10.35 C ATOM 825 CG ARG A 58 -2.326 -7.561 -2.122 1.00 11.22 C ATOM 826 CD ARG A 58 -2.573 -8.802 -3.003 1.00 2.23 C ATOM 827 NE ARG A 58 -3.655 -9.635 -2.370 1.00 2.34 N ATOM 828 CZ ARG A 58 -4.435 -10.507 -3.121 1.00 22.53 C ATOM 829 NH1 ARG A 58 -4.266 -10.609 -4.468 1.00 63.21 N ATOM 830 NH2 ARG A 58 -5.378 -11.268 -2.508 1.00 63.00 N ATOM 0 H ARG A 58 -5.110 -4.479 -1.948 1.00 63.43 H new ATOM 0 HA ARG A 58 -2.902 -5.488 -0.281 1.00 14.25 H new ATOM 0 HB2 ARG A 58 -4.324 -7.198 -1.384 1.00 10.35 H new ATOM 0 HB3 ARG A 58 -4.004 -6.480 -2.950 1.00 10.35 H new ATOM 0 HG2 ARG A 58 -1.516 -6.974 -2.554 1.00 11.22 H new ATOM 0 HG3 ARG A 58 -1.994 -7.885 -1.136 1.00 11.22 H new ATOM 0 HD2 ARG A 58 -2.868 -8.500 -4.008 1.00 2.23 H new ATOM 0 HD3 ARG A 58 -1.657 -9.384 -3.101 1.00 2.23 H new ATOM 0 HE ARG A 58 -3.820 -9.558 -1.366 1.00 2.34 H new ATOM 0 HH11 ARG A 58 -3.560 -10.042 -4.938 1.00 63.21 H new ATOM 0 HH12 ARG A 58 -4.845 -11.253 -5.007 1.00 63.21 H new ATOM 0 HH21 ARG A 58 -5.512 -11.199 -1.499 1.00 63.00 H new ATOM 0 HH22 ARG A 58 -5.952 -11.909 -3.056 1.00 63.00 H new ATOM 844 N VAL A 59 -1.167 -4.195 -1.622 1.00 55.10 N ATOM 845 CA VAL A 59 -0.157 -3.501 -2.364 1.00 70.33 C ATOM 846 C VAL A 59 0.881 -4.549 -2.711 1.00 70.13 C ATOM 847 O VAL A 59 1.080 -5.512 -1.958 1.00 74.51 O ATOM 848 CB VAL A 59 0.517 -2.391 -1.532 1.00 12.21 C ATOM 849 CG1 VAL A 59 1.420 -1.521 -2.443 1.00 11.52 C ATOM 850 CG2 VAL A 59 -0.585 -1.565 -0.826 1.00 32.55 C ATOM 0 H VAL A 59 -0.906 -4.401 -0.658 1.00 55.10 H new ATOM 0 HA VAL A 59 -0.597 -3.020 -3.238 1.00 70.33 H new ATOM 0 HB VAL A 59 1.164 -2.819 -0.766 1.00 12.21 H new ATOM 0 HG11 VAL A 59 1.892 -0.740 -1.848 1.00 11.52 H new ATOM 0 HG12 VAL A 59 2.189 -2.146 -2.897 1.00 11.52 H new ATOM 0 HG13 VAL A 59 0.815 -1.065 -3.226 1.00 11.52 H new ATOM 0 HG21 VAL A 59 -0.124 -0.775 -0.233 1.00 32.55 H new ATOM 0 HG22 VAL A 59 -1.242 -1.121 -1.574 1.00 32.55 H new ATOM 0 HG23 VAL A 59 -1.166 -2.216 -0.173 1.00 32.55 H new ATOM 860 N LEU A 60 1.549 -4.386 -3.870 1.00 11.32 N ATOM 861 CA LEU A 60 2.644 -5.274 -4.216 1.00 53.15 C ATOM 862 C LEU A 60 3.910 -4.457 -4.236 1.00 63.23 C ATOM 863 O LEU A 60 4.924 -4.863 -3.663 1.00 24.43 O ATOM 864 CB LEU A 60 2.507 -6.019 -5.579 1.00 73.23 C ATOM 865 CG LEU A 60 1.974 -5.181 -6.756 1.00 62.23 C ATOM 866 CD1 LEU A 60 2.676 -5.514 -8.063 1.00 35.53 C ATOM 867 CD2 LEU A 60 0.462 -5.272 -6.893 1.00 53.54 C ATOM 0 H LEU A 60 1.346 -3.662 -4.559 1.00 11.32 H new ATOM 0 HA LEU A 60 2.646 -6.060 -3.461 1.00 53.15 H new ATOM 0 HB2 LEU A 60 3.485 -6.415 -5.854 1.00 73.23 H new ATOM 0 HB3 LEU A 60 1.845 -6.874 -5.438 1.00 73.23 H new ATOM 0 HG LEU A 60 2.209 -4.143 -6.522 1.00 62.23 H new ATOM 0 HD11 LEU A 60 2.266 -4.898 -8.863 1.00 35.53 H new ATOM 0 HD12 LEU A 60 3.743 -5.317 -7.963 1.00 35.53 H new ATOM 0 HD13 LEU A 60 2.522 -6.567 -8.301 1.00 35.53 H new ATOM 0 HD21 LEU A 60 0.136 -4.664 -7.737 1.00 53.54 H new ATOM 0 HD22 LEU A 60 0.174 -6.310 -7.061 1.00 53.54 H new ATOM 0 HD23 LEU A 60 -0.009 -4.908 -5.980 1.00 53.54 H new ATOM 879 N ALA A 61 3.885 -3.295 -4.906 1.00 40.43 N ATOM 880 CA ALA A 61 5.115 -2.562 -5.110 1.00 31.42 C ATOM 881 C ALA A 61 4.914 -1.153 -4.706 1.00 42.10 C ATOM 882 O ALA A 61 3.786 -0.674 -4.557 1.00 12.12 O ATOM 883 CB ALA A 61 5.614 -2.570 -6.566 1.00 13.33 C ATOM 0 H ALA A 61 3.048 -2.864 -5.300 1.00 40.43 H new ATOM 0 HA ALA A 61 5.869 -3.064 -4.504 1.00 31.42 H new ATOM 0 HB1 ALA A 61 6.540 -2.000 -6.636 1.00 13.33 H new ATOM 0 HB2 ALA A 61 5.795 -3.597 -6.883 1.00 13.33 H new ATOM 0 HB3 ALA A 61 4.860 -2.119 -7.211 1.00 13.33 H new ATOM 889 N VAL A 62 6.053 -0.481 -4.498 1.00 23.32 N ATOM 890 CA VAL A 62 6.082 0.864 -4.013 1.00 30.04 C ATOM 891 C VAL A 62 7.147 1.542 -4.797 1.00 0.44 C ATOM 892 O VAL A 62 8.306 1.242 -4.657 1.00 2.13 O ATOM 893 CB VAL A 62 6.412 0.987 -2.530 1.00 73.30 C ATOM 894 CG1 VAL A 62 6.449 2.484 -2.132 1.00 62.13 C ATOM 895 CG2 VAL A 62 5.366 0.174 -1.731 1.00 2.04 C ATOM 0 H VAL A 62 6.977 -0.877 -4.669 1.00 23.32 H new ATOM 0 HA VAL A 62 5.091 1.302 -4.128 1.00 30.04 H new ATOM 0 HB VAL A 62 7.397 0.579 -2.304 1.00 73.30 H new ATOM 0 HG11 VAL A 62 6.685 2.573 -1.072 1.00 62.13 H new ATOM 0 HG12 VAL A 62 7.212 2.997 -2.718 1.00 62.13 H new ATOM 0 HG13 VAL A 62 5.477 2.936 -2.326 1.00 62.13 H new ATOM 0 HG21 VAL A 62 5.584 0.248 -0.666 1.00 2.04 H new ATOM 0 HG22 VAL A 62 4.370 0.571 -1.926 1.00 2.04 H new ATOM 0 HG23 VAL A 62 5.406 -0.871 -2.037 1.00 2.04 H new ATOM 905 N ASN A 63 6.735 2.475 -5.646 1.00 75.13 N ATOM 906 CA ASN A 63 7.608 3.281 -6.500 1.00 22.33 C ATOM 907 C ASN A 63 8.598 2.411 -7.258 1.00 44.23 C ATOM 908 O ASN A 63 9.741 2.802 -7.481 1.00 44.21 O ATOM 909 CB ASN A 63 8.353 4.426 -5.751 1.00 5.33 C ATOM 910 CG ASN A 63 8.601 5.573 -6.735 1.00 33.53 C ATOM 911 OD1 ASN A 63 7.638 6.195 -7.225 1.00 45.11 O ATOM 912 ND2 ASN A 63 9.879 5.879 -7.028 1.00 41.13 N ATOM 0 H ASN A 63 5.748 2.702 -5.766 1.00 75.13 H new ATOM 0 HA ASN A 63 6.940 3.768 -7.210 1.00 22.33 H new ATOM 0 HB2 ASN A 63 7.759 4.774 -4.906 1.00 5.33 H new ATOM 0 HB3 ASN A 63 9.298 4.062 -5.348 1.00 5.33 H new ATOM 0 HD21 ASN A 63 10.086 6.643 -7.671 1.00 41.13 H new ATOM 0 HD22 ASN A 63 10.640 5.347 -6.607 1.00 41.13 H new ATOM 919 N GLY A 64 8.153 1.215 -7.688 1.00 62.21 N ATOM 920 CA GLY A 64 8.973 0.362 -8.536 1.00 71.32 C ATOM 921 C GLY A 64 9.831 -0.524 -7.682 1.00 62.11 C ATOM 922 O GLY A 64 10.668 -1.272 -8.203 1.00 33.21 O ATOM 0 H GLY A 64 7.237 0.830 -7.459 1.00 62.21 H new ATOM 0 HA2 GLY A 64 8.338 -0.244 -9.182 1.00 71.32 H new ATOM 0 HA3 GLY A 64 9.599 0.973 -9.187 1.00 71.32 H new ATOM 926 N VAL A 65 9.649 -0.476 -6.350 1.00 41.40 N ATOM 927 CA VAL A 65 10.442 -1.269 -5.478 1.00 72.03 C ATOM 928 C VAL A 65 9.586 -2.427 -5.147 1.00 3.13 C ATOM 929 O VAL A 65 8.469 -2.270 -4.635 1.00 14.12 O ATOM 930 CB VAL A 65 10.856 -0.562 -4.188 1.00 74.00 C ATOM 931 CG1 VAL A 65 11.757 -1.508 -3.356 1.00 2.24 C ATOM 932 CG2 VAL A 65 11.565 0.757 -4.569 1.00 31.43 C ATOM 0 H VAL A 65 8.956 0.110 -5.884 1.00 41.40 H new ATOM 0 HA VAL A 65 11.380 -1.526 -5.970 1.00 72.03 H new ATOM 0 HB VAL A 65 9.994 -0.316 -3.568 1.00 74.00 H new ATOM 0 HG11 VAL A 65 12.056 -1.009 -2.434 1.00 2.24 H new ATOM 0 HG12 VAL A 65 11.205 -2.417 -3.114 1.00 2.24 H new ATOM 0 HG13 VAL A 65 12.645 -1.765 -3.933 1.00 2.24 H new ATOM 0 HG21 VAL A 65 11.870 1.281 -3.663 1.00 31.43 H new ATOM 0 HG22 VAL A 65 12.444 0.536 -5.174 1.00 31.43 H new ATOM 0 HG23 VAL A 65 10.881 1.386 -5.139 1.00 31.43 H new ATOM 942 N SER A 66 10.069 -3.619 -5.476 1.00 64.31 N ATOM 943 CA SER A 66 9.380 -4.815 -5.144 1.00 50.12 C ATOM 944 C SER A 66 9.534 -5.010 -3.657 1.00 73.02 C ATOM 945 O SER A 66 10.622 -5.292 -3.159 1.00 40.30 O ATOM 946 CB SER A 66 9.941 -6.048 -5.882 1.00 74.54 C ATOM 947 OG SER A 66 9.992 -5.781 -7.288 1.00 35.44 O ATOM 0 H SER A 66 10.946 -3.761 -5.977 1.00 64.31 H new ATOM 0 HA SER A 66 8.337 -4.720 -5.445 1.00 50.12 H new ATOM 0 HB2 SER A 66 10.938 -6.286 -5.510 1.00 74.54 H new ATOM 0 HB3 SER A 66 9.313 -6.918 -5.689 1.00 74.54 H new ATOM 0 HG SER A 66 10.350 -6.564 -7.757 1.00 35.44 H new ATOM 953 N LEU A 67 8.428 -4.807 -2.930 1.00 63.42 N ATOM 954 CA LEU A 67 8.424 -4.902 -1.471 1.00 45.52 C ATOM 955 C LEU A 67 8.355 -6.348 -1.054 1.00 61.24 C ATOM 956 O LEU A 67 8.405 -6.645 0.132 1.00 24.32 O ATOM 957 CB LEU A 67 7.229 -4.165 -0.815 1.00 60.43 C ATOM 958 CG LEU A 67 7.587 -2.763 -0.279 1.00 42.44 C ATOM 959 CD1 LEU A 67 8.492 -2.825 0.965 1.00 63.44 C ATOM 960 CD2 LEU A 67 8.156 -1.835 -1.349 1.00 22.41 C ATOM 0 H LEU A 67 7.521 -4.575 -3.335 1.00 63.42 H new ATOM 0 HA LEU A 67 9.346 -4.427 -1.134 1.00 45.52 H new ATOM 0 HB2 LEU A 67 6.425 -4.071 -1.545 1.00 60.43 H new ATOM 0 HB3 LEU A 67 6.845 -4.771 0.005 1.00 60.43 H new ATOM 0 HG LEU A 67 6.641 -2.320 0.033 1.00 42.44 H new ATOM 0 HD11 LEU A 67 8.715 -1.813 1.303 1.00 63.44 H new ATOM 0 HD12 LEU A 67 7.981 -3.369 1.760 1.00 63.44 H new ATOM 0 HD13 LEU A 67 9.421 -3.337 0.714 1.00 63.44 H new ATOM 0 HD21 LEU A 67 8.386 -0.866 -0.905 1.00 22.41 H new ATOM 0 HD22 LEU A 67 9.066 -2.271 -1.762 1.00 22.41 H new ATOM 0 HD23 LEU A 67 7.423 -1.705 -2.145 1.00 22.41 H new ATOM 972 N GLU A 68 8.268 -7.292 -2.010 1.00 51.24 N ATOM 973 CA GLU A 68 8.272 -8.696 -1.648 1.00 65.54 C ATOM 974 C GLU A 68 9.610 -9.010 -1.028 1.00 21.21 C ATOM 975 O GLU A 68 10.643 -8.440 -1.398 1.00 64.55 O ATOM 976 CB GLU A 68 8.027 -9.670 -2.825 1.00 52.11 C ATOM 977 CG GLU A 68 8.926 -9.416 -4.041 1.00 21.52 C ATOM 978 CD GLU A 68 8.524 -10.385 -5.113 1.00 73.34 C ATOM 979 OE1 GLU A 68 8.712 -11.610 -4.915 1.00 34.21 O ATOM 980 OE2 GLU A 68 7.988 -9.939 -6.143 1.00 24.22 O ATOM 0 H GLU A 68 8.196 -7.102 -3.010 1.00 51.24 H new ATOM 0 HA GLU A 68 7.439 -8.846 -0.961 1.00 65.54 H new ATOM 0 HB2 GLU A 68 8.184 -10.691 -2.477 1.00 52.11 H new ATOM 0 HB3 GLU A 68 6.985 -9.595 -3.135 1.00 52.11 H new ATOM 0 HG2 GLU A 68 8.815 -8.390 -4.391 1.00 21.52 H new ATOM 0 HG3 GLU A 68 9.975 -9.551 -3.777 1.00 21.52 H new ATOM 987 N GLY A 69 9.599 -9.881 -0.030 1.00 34.14 N ATOM 988 CA GLY A 69 10.814 -10.235 0.671 1.00 21.30 C ATOM 989 C GLY A 69 11.068 -9.247 1.780 1.00 4.04 C ATOM 990 O GLY A 69 11.663 -9.602 2.785 1.00 41.24 O ATOM 0 H GLY A 69 8.761 -10.353 0.309 1.00 34.14 H new ATOM 0 HA2 GLY A 69 10.729 -11.242 1.080 1.00 21.30 H new ATOM 0 HA3 GLY A 69 11.656 -10.243 -0.022 1.00 21.30 H new ATOM 994 N ALA A 70 10.657 -7.963 1.611 1.00 33.34 N ATOM 995 CA ALA A 70 10.931 -6.963 2.621 1.00 41.21 C ATOM 996 C ALA A 70 10.046 -7.227 3.799 1.00 3.44 C ATOM 997 O ALA A 70 9.078 -7.967 3.714 1.00 51.12 O ATOM 998 CB ALA A 70 10.688 -5.511 2.157 1.00 43.31 C ATOM 0 H ALA A 70 10.147 -7.622 0.796 1.00 33.34 H new ATOM 0 HA ALA A 70 11.991 -7.046 2.860 1.00 41.21 H new ATOM 0 HB1 ALA A 70 10.917 -4.825 2.973 1.00 43.31 H new ATOM 0 HB2 ALA A 70 11.331 -5.289 1.305 1.00 43.31 H new ATOM 0 HB3 ALA A 70 9.645 -5.392 1.865 1.00 43.31 H new ATOM 1004 N THR A 71 10.411 -6.652 4.935 1.00 12.25 N ATOM 1005 CA THR A 71 9.700 -6.895 6.149 1.00 60.13 C ATOM 1006 C THR A 71 8.521 -5.945 6.231 1.00 2.30 C ATOM 1007 O THR A 71 8.392 -4.996 5.449 1.00 12.42 O ATOM 1008 CB THR A 71 10.585 -6.719 7.361 1.00 43.11 C ATOM 1009 OG1 THR A 71 11.236 -5.449 7.308 1.00 34.01 O ATOM 1010 CG2 THR A 71 11.647 -7.838 7.329 1.00 43.44 C ATOM 0 H THR A 71 11.201 -6.013 5.026 1.00 12.25 H new ATOM 0 HA THR A 71 9.354 -7.928 6.142 1.00 60.13 H new ATOM 0 HB THR A 71 9.992 -6.770 8.274 1.00 43.11 H new ATOM 0 HG1 THR A 71 11.807 -5.341 8.097 1.00 34.01 H new ATOM 0 HG21 THR A 71 12.305 -7.740 8.193 1.00 43.44 H new ATOM 0 HG22 THR A 71 11.153 -8.809 7.357 1.00 43.44 H new ATOM 0 HG23 THR A 71 12.234 -7.756 6.415 1.00 43.44 H new ATOM 1018 N HIS A 72 7.636 -6.210 7.216 1.00 74.41 N ATOM 1019 CA HIS A 72 6.449 -5.408 7.441 1.00 13.12 C ATOM 1020 C HIS A 72 6.890 -4.039 7.834 1.00 21.12 C ATOM 1021 O HIS A 72 6.384 -3.053 7.331 1.00 1.44 O ATOM 1022 CB HIS A 72 5.506 -5.972 8.550 1.00 71.51 C ATOM 1023 CG HIS A 72 6.148 -6.099 9.914 1.00 73.24 C ATOM 1024 ND1 HIS A 72 5.934 -5.196 10.923 1.00 54.05 N ATOM 1025 CD2 HIS A 72 7.013 -7.017 10.380 1.00 34.25 C ATOM 1026 CE1 HIS A 72 6.659 -5.560 11.970 1.00 13.22 C ATOM 1027 NE2 HIS A 72 7.325 -6.658 11.658 1.00 15.21 N ATOM 0 H HIS A 72 7.738 -6.988 7.868 1.00 74.41 H new ATOM 0 HA HIS A 72 5.872 -5.412 6.516 1.00 13.12 H new ATOM 0 HB2 HIS A 72 4.634 -5.324 8.632 1.00 71.51 H new ATOM 0 HB3 HIS A 72 5.146 -6.953 8.239 1.00 71.51 H new ATOM 0 HD2 HIS A 72 7.389 -7.876 9.844 1.00 34.25 H new ATOM 0 HE1 HIS A 72 6.699 -5.046 12.919 1.00 13.22 H new ATOM 0 HE2 HIS A 72 7.968 -7.156 12.273 1.00 15.21 H new ATOM 1036 N LYS A 73 7.886 -3.953 8.749 1.00 61.12 N ATOM 1037 CA LYS A 73 8.369 -2.671 9.195 1.00 43.04 C ATOM 1038 C LYS A 73 8.938 -1.889 8.020 1.00 51.41 C ATOM 1039 O LYS A 73 8.669 -0.697 7.906 1.00 64.03 O ATOM 1040 CB LYS A 73 9.408 -2.725 10.351 1.00 32.14 C ATOM 1041 CG LYS A 73 10.638 -3.607 10.098 1.00 61.30 C ATOM 1042 CD LYS A 73 11.775 -3.321 11.085 1.00 21.05 C ATOM 1043 CE LYS A 73 13.053 -4.129 10.803 1.00 41.12 C ATOM 1044 NZ LYS A 73 14.207 -3.550 11.519 1.00 52.12 N ATOM 0 H LYS A 73 8.350 -4.756 9.173 1.00 61.12 H new ATOM 0 HA LYS A 73 7.498 -2.165 9.612 1.00 43.04 H new ATOM 0 HB2 LYS A 73 9.748 -1.710 10.558 1.00 32.14 H new ATOM 0 HB3 LYS A 73 8.906 -3.082 11.250 1.00 32.14 H new ATOM 0 HG2 LYS A 73 10.351 -4.656 10.173 1.00 61.30 H new ATOM 0 HG3 LYS A 73 10.994 -3.446 9.081 1.00 61.30 H new ATOM 0 HD2 LYS A 73 12.013 -2.258 11.054 1.00 21.05 H new ATOM 0 HD3 LYS A 73 11.432 -3.541 12.096 1.00 21.05 H new ATOM 0 HE2 LYS A 73 12.910 -5.164 11.112 1.00 41.12 H new ATOM 0 HE3 LYS A 73 13.252 -4.141 9.731 1.00 41.12 H new ATOM 0 HZ1 LYS A 73 14.893 -4.301 11.736 1.00 52.12 H new ATOM 0 HZ2 LYS A 73 14.660 -2.829 10.922 1.00 52.12 H new ATOM 0 HZ3 LYS A 73 13.882 -3.112 12.404 1.00 52.12 H new ATOM 1058 N GLN A 74 9.706 -2.544 7.084 1.00 54.44 N ATOM 1059 CA GLN A 74 10.271 -1.815 5.947 1.00 44.53 C ATOM 1060 C GLN A 74 9.148 -1.329 5.076 1.00 13.15 C ATOM 1061 O GLN A 74 9.221 -0.239 4.557 1.00 3.44 O ATOM 1062 CB GLN A 74 11.240 -2.654 5.048 1.00 33.43 C ATOM 1063 CG GLN A 74 12.743 -2.398 5.316 1.00 2.11 C ATOM 1064 CD GLN A 74 13.142 -2.943 6.680 1.00 30.05 C ATOM 1065 OE1 GLN A 74 12.872 -2.329 7.714 1.00 54.41 O ATOM 1066 NE2 GLN A 74 13.807 -4.109 6.693 1.00 20.04 N ATOM 0 H GLN A 74 9.928 -3.539 7.111 1.00 54.44 H new ATOM 0 HA GLN A 74 10.858 -1.004 6.378 1.00 44.53 H new ATOM 0 HB2 GLN A 74 11.032 -3.713 5.200 1.00 33.43 H new ATOM 0 HB3 GLN A 74 11.027 -2.434 4.002 1.00 33.43 H new ATOM 0 HG2 GLN A 74 13.343 -2.872 4.539 1.00 2.11 H new ATOM 0 HG3 GLN A 74 12.950 -1.329 5.271 1.00 2.11 H new ATOM 0 HE21 GLN A 74 14.013 -4.589 5.817 1.00 20.04 H new ATOM 0 HE22 GLN A 74 14.107 -4.515 7.579 1.00 20.04 H new ATOM 1075 N ALA A 75 8.067 -2.127 4.909 1.00 73.33 N ATOM 1076 CA ALA A 75 6.940 -1.727 4.073 1.00 44.54 C ATOM 1077 C ALA A 75 6.392 -0.385 4.545 1.00 30.14 C ATOM 1078 O ALA A 75 6.030 0.459 3.733 1.00 42.31 O ATOM 1079 CB ALA A 75 5.800 -2.749 4.117 1.00 51.42 C ATOM 0 H ALA A 75 7.964 -3.044 5.344 1.00 73.33 H new ATOM 0 HA ALA A 75 7.312 -1.658 3.051 1.00 44.54 H new ATOM 0 HB1 ALA A 75 4.983 -2.410 3.480 1.00 51.42 H new ATOM 0 HB2 ALA A 75 6.162 -3.713 3.760 1.00 51.42 H new ATOM 0 HB3 ALA A 75 5.443 -2.852 5.142 1.00 51.42 H new ATOM 1085 N VAL A 76 6.356 -0.166 5.881 1.00 14.42 N ATOM 1086 CA VAL A 76 5.821 1.075 6.427 1.00 34.14 C ATOM 1087 C VAL A 76 6.823 2.180 6.128 1.00 70.21 C ATOM 1088 O VAL A 76 6.476 3.209 5.540 1.00 25.53 O ATOM 1089 CB VAL A 76 5.601 1.016 7.953 1.00 5.01 C ATOM 1090 CG1 VAL A 76 5.025 2.371 8.448 1.00 63.30 C ATOM 1091 CG2 VAL A 76 4.672 -0.177 8.276 1.00 63.21 C ATOM 0 H VAL A 76 6.689 -0.830 6.580 1.00 14.42 H new ATOM 0 HA VAL A 76 4.849 1.255 5.967 1.00 34.14 H new ATOM 0 HB VAL A 76 6.543 0.858 8.478 1.00 5.01 H new ATOM 0 HG11 VAL A 76 4.870 2.328 9.526 1.00 63.30 H new ATOM 0 HG12 VAL A 76 5.726 3.172 8.214 1.00 63.30 H new ATOM 0 HG13 VAL A 76 4.074 2.565 7.952 1.00 63.30 H new ATOM 0 HG21 VAL A 76 4.508 -0.230 9.352 1.00 63.21 H new ATOM 0 HG22 VAL A 76 3.716 -0.041 7.770 1.00 63.21 H new ATOM 0 HG23 VAL A 76 5.136 -1.102 7.934 1.00 63.21 H new ATOM 1101 N CYS A 77 8.093 1.971 6.559 1.00 1.41 N ATOM 1102 CA CYS A 77 9.105 3.082 6.476 1.00 3.53 C ATOM 1103 C CYS A 77 9.304 3.456 5.010 1.00 72.40 C ATOM 1104 O CYS A 77 9.838 4.473 4.700 1.00 51.20 O ATOM 1105 CB CYS A 77 10.448 2.709 7.100 1.00 25.52 C ATOM 1106 SG CYS A 77 10.244 2.442 8.888 1.00 21.13 S ATOM 0 H CYS A 77 8.439 1.095 6.950 1.00 1.41 H new ATOM 0 HA CYS A 77 8.718 3.927 7.046 1.00 3.53 H new ATOM 0 HB2 CYS A 77 10.839 1.806 6.631 1.00 25.52 H new ATOM 0 HB3 CYS A 77 11.175 3.502 6.922 1.00 25.52 H new ATOM 1111 N THR A 78 9.066 2.491 4.091 1.00 53.20 N ATOM 1112 CA THR A 78 9.299 2.736 2.671 1.00 73.21 C ATOM 1113 C THR A 78 8.401 3.895 2.264 1.00 1.33 C ATOM 1114 O THR A 78 8.879 4.887 1.767 1.00 2.44 O ATOM 1115 CB THR A 78 9.029 1.529 1.776 1.00 20.01 C ATOM 1116 OG1 THR A 78 9.893 0.451 2.144 1.00 44.24 O ATOM 1117 CG2 THR A 78 9.316 1.916 0.302 1.00 25.24 C ATOM 0 H THR A 78 8.720 1.558 4.313 1.00 53.20 H new ATOM 0 HA THR A 78 10.357 2.961 2.535 1.00 73.21 H new ATOM 0 HB THR A 78 7.990 1.221 1.891 1.00 20.01 H new ATOM 0 HG1 THR A 78 9.711 0.187 3.070 1.00 44.24 H new ATOM 0 HG21 THR A 78 9.125 1.058 -0.343 1.00 25.24 H new ATOM 0 HG22 THR A 78 8.667 2.742 0.010 1.00 25.24 H new ATOM 0 HG23 THR A 78 10.358 2.221 0.202 1.00 25.24 H new ATOM 1125 N LEU A 79 7.078 3.771 2.540 1.00 34.11 N ATOM 1126 CA LEU A 79 6.105 4.825 2.226 1.00 71.32 C ATOM 1127 C LEU A 79 6.542 6.122 2.893 1.00 40.50 C ATOM 1128 O LEU A 79 6.711 7.138 2.258 1.00 33.23 O ATOM 1129 CB LEU A 79 4.678 4.484 2.734 1.00 14.45 C ATOM 1130 CG LEU A 79 4.144 3.115 2.245 1.00 43.00 C ATOM 1131 CD1 LEU A 79 2.774 2.762 2.860 1.00 53.32 C ATOM 1132 CD2 LEU A 79 4.150 2.980 0.712 1.00 24.51 C ATOM 0 H LEU A 79 6.669 2.947 2.980 1.00 34.11 H new ATOM 0 HA LEU A 79 6.071 4.920 1.141 1.00 71.32 H new ATOM 0 HB2 LEU A 79 4.680 4.493 3.824 1.00 14.45 H new ATOM 0 HB3 LEU A 79 3.992 5.266 2.410 1.00 14.45 H new ATOM 0 HG LEU A 79 4.851 2.372 2.614 1.00 43.00 H new ATOM 0 HD11 LEU A 79 2.445 1.793 2.484 1.00 53.32 H new ATOM 0 HD12 LEU A 79 2.863 2.719 3.946 1.00 53.32 H new ATOM 0 HD13 LEU A 79 2.045 3.524 2.585 1.00 53.32 H new ATOM 0 HD21 LEU A 79 3.765 2.000 0.432 1.00 24.51 H new ATOM 0 HD22 LEU A 79 3.520 3.756 0.276 1.00 24.51 H new ATOM 0 HD23 LEU A 79 5.169 3.089 0.341 1.00 24.51 H new ATOM 1144 N ARG A 80 6.727 6.083 4.212 1.00 11.33 N ATOM 1145 CA ARG A 80 7.247 7.248 4.955 1.00 1.12 C ATOM 1146 C ARG A 80 8.518 7.861 4.297 1.00 3.54 C ATOM 1147 O ARG A 80 8.741 9.069 4.395 1.00 73.54 O ATOM 1148 CB ARG A 80 7.518 6.972 6.449 1.00 71.25 C ATOM 1149 CG ARG A 80 6.266 6.455 7.189 1.00 31.44 C ATOM 1150 CD ARG A 80 6.335 6.555 8.728 1.00 65.22 C ATOM 1151 NE ARG A 80 7.531 5.785 9.218 1.00 11.23 N ATOM 1152 CZ ARG A 80 7.564 5.214 10.483 1.00 34.22 C ATOM 1153 NH1 ARG A 80 6.486 5.304 11.323 1.00 42.15 N ATOM 1154 NH2 ARG A 80 8.688 4.558 10.889 1.00 74.24 N ATOM 0 H ARG A 80 6.529 5.267 4.791 1.00 11.33 H new ATOM 0 HA ARG A 80 6.437 7.975 4.902 1.00 1.12 H new ATOM 0 HB2 ARG A 80 8.319 6.239 6.541 1.00 71.25 H new ATOM 0 HB3 ARG A 80 7.867 7.887 6.927 1.00 71.25 H new ATOM 0 HG2 ARG A 80 5.398 7.016 6.841 1.00 31.44 H new ATOM 0 HG3 ARG A 80 6.103 5.413 6.914 1.00 31.44 H new ATOM 0 HD2 ARG A 80 6.408 7.599 9.034 1.00 65.22 H new ATOM 0 HD3 ARG A 80 5.423 6.156 9.172 1.00 65.22 H new ATOM 0 HE ARG A 80 8.339 5.680 8.605 1.00 11.23 H new ATOM 0 HH11 ARG A 80 5.644 5.795 11.022 1.00 42.15 H new ATOM 0 HH12 ARG A 80 6.525 4.880 12.250 1.00 42.15 H new ATOM 0 HH21 ARG A 80 9.493 4.491 10.266 1.00 74.24 H new ATOM 0 HH22 ARG A 80 8.724 4.134 11.816 1.00 74.24 H new ATOM 1168 N ASN A 81 9.350 7.045 3.609 1.00 24.13 N ATOM 1169 CA ASN A 81 10.602 7.543 3.010 1.00 42.23 C ATOM 1170 C ASN A 81 10.359 7.951 1.562 1.00 75.43 C ATOM 1171 O ASN A 81 11.257 8.526 0.935 1.00 23.10 O ATOM 1172 CB ASN A 81 11.758 6.487 2.974 1.00 74.40 C ATOM 1173 CG ASN A 81 12.281 6.172 4.392 1.00 75.43 C ATOM 1174 OD1 ASN A 81 12.956 5.156 4.594 1.00 51.24 O ATOM 1175 ND2 ASN A 81 11.994 7.036 5.396 1.00 43.03 N ATOM 0 H ASN A 81 9.177 6.051 3.458 1.00 24.13 H new ATOM 0 HA ASN A 81 10.905 8.376 3.645 1.00 42.23 H new ATOM 0 HB2 ASN A 81 11.400 5.570 2.505 1.00 74.40 H new ATOM 0 HB3 ASN A 81 12.576 6.862 2.358 1.00 74.40 H new ATOM 0 HD21 ASN A 81 12.337 6.854 6.339 1.00 43.03 H new ATOM 0 HD22 ASN A 81 11.435 7.869 5.208 1.00 43.03 H new ATOM 1182 N THR A 82 9.165 7.685 0.983 1.00 24.13 N ATOM 1183 CA THR A 82 8.938 8.064 -0.412 1.00 52.43 C ATOM 1184 C THR A 82 8.623 9.557 -0.446 1.00 42.41 C ATOM 1185 O THR A 82 8.476 10.208 0.603 1.00 52.11 O ATOM 1186 CB THR A 82 7.861 7.264 -1.163 1.00 21.34 C ATOM 1187 OG1 THR A 82 6.654 7.177 -0.421 1.00 33.22 O ATOM 1188 CG2 THR A 82 8.395 5.844 -1.425 1.00 14.12 C ATOM 0 H THR A 82 8.379 7.228 1.446 1.00 24.13 H new ATOM 0 HA THR A 82 9.854 7.822 -0.951 1.00 52.43 H new ATOM 0 HB THR A 82 7.642 7.779 -2.098 1.00 21.34 H new ATOM 0 HG1 THR A 82 6.849 6.857 0.485 1.00 33.22 H new ATOM 0 HG21 THR A 82 7.641 5.264 -1.958 1.00 14.12 H new ATOM 0 HG22 THR A 82 9.301 5.902 -2.028 1.00 14.12 H new ATOM 0 HG23 THR A 82 8.621 5.359 -0.475 1.00 14.12 H new ATOM 1196 N GLY A 83 8.584 10.127 -1.658 1.00 24.21 N ATOM 1197 CA GLY A 83 8.452 11.561 -1.828 1.00 62.24 C ATOM 1198 C GLY A 83 7.009 11.954 -1.787 1.00 0.51 C ATOM 1199 O GLY A 83 6.243 11.518 -0.919 1.00 41.41 O ATOM 0 H GLY A 83 8.643 9.605 -2.532 1.00 24.21 H new ATOM 0 HA2 GLY A 83 9.001 12.080 -1.042 1.00 62.24 H new ATOM 0 HA3 GLY A 83 8.893 11.864 -2.778 1.00 62.24 H new ATOM 1203 N GLN A 84 6.628 12.849 -2.720 1.00 23.10 N ATOM 1204 CA GLN A 84 5.324 13.454 -2.720 1.00 4.23 C ATOM 1205 C GLN A 84 4.424 12.596 -3.537 1.00 51.52 C ATOM 1206 O GLN A 84 3.307 12.321 -3.144 1.00 42.23 O ATOM 1207 CB GLN A 84 5.330 14.864 -3.351 1.00 63.23 C ATOM 1208 CG GLN A 84 3.953 15.549 -3.369 1.00 31.33 C ATOM 1209 CD GLN A 84 4.152 16.943 -3.927 1.00 32.54 C ATOM 1210 OE1 GLN A 84 4.292 17.124 -5.139 1.00 52.44 O ATOM 1211 NE2 GLN A 84 4.189 17.938 -3.045 1.00 40.12 N ATOM 0 H GLN A 84 7.229 13.158 -3.484 1.00 23.10 H new ATOM 0 HA GLN A 84 4.993 13.546 -1.685 1.00 4.23 H new ATOM 0 HB2 GLN A 84 6.030 15.493 -2.801 1.00 63.23 H new ATOM 0 HB3 GLN A 84 5.701 14.791 -4.373 1.00 63.23 H new ATOM 0 HG2 GLN A 84 3.251 14.985 -3.984 1.00 31.33 H new ATOM 0 HG3 GLN A 84 3.532 15.593 -2.364 1.00 31.33 H new ATOM 0 HE21 GLN A 84 4.068 17.743 -2.051 1.00 40.12 H new ATOM 0 HE22 GLN A 84 4.338 18.896 -3.363 1.00 40.12 H new ATOM 1220 N VAL A 85 4.894 12.174 -4.714 1.00 35.42 N ATOM 1221 CA VAL A 85 4.081 11.365 -5.580 1.00 65.34 C ATOM 1222 C VAL A 85 4.707 10.024 -5.513 1.00 23.42 C ATOM 1223 O VAL A 85 5.930 9.897 -5.672 1.00 3.42 O ATOM 1224 CB VAL A 85 4.064 11.844 -7.029 1.00 13.22 C ATOM 1225 CG1 VAL A 85 3.126 10.925 -7.864 1.00 73.23 C ATOM 1226 CG2 VAL A 85 3.614 13.322 -7.030 1.00 33.22 C ATOM 0 H VAL A 85 5.825 12.384 -5.073 1.00 35.42 H new ATOM 0 HA VAL A 85 3.040 11.395 -5.259 1.00 65.34 H new ATOM 0 HB VAL A 85 5.050 11.786 -7.489 1.00 13.22 H new ATOM 0 HG11 VAL A 85 3.112 11.265 -8.900 1.00 73.23 H new ATOM 0 HG12 VAL A 85 3.492 9.899 -7.824 1.00 73.23 H new ATOM 0 HG13 VAL A 85 2.117 10.967 -7.454 1.00 73.23 H new ATOM 0 HG21 VAL A 85 3.592 13.695 -8.054 1.00 33.22 H new ATOM 0 HG22 VAL A 85 2.618 13.399 -6.594 1.00 33.22 H new ATOM 0 HG23 VAL A 85 4.314 13.916 -6.443 1.00 33.22 H new ATOM 1236 N VAL A 86 3.918 8.989 -5.232 1.00 15.13 N ATOM 1237 CA VAL A 86 4.451 7.676 -5.100 1.00 4.41 C ATOM 1238 C VAL A 86 3.679 6.868 -6.082 1.00 42.04 C ATOM 1239 O VAL A 86 2.477 7.043 -6.204 1.00 43.34 O ATOM 1240 CB VAL A 86 4.224 7.084 -3.710 1.00 14.25 C ATOM 1241 CG1 VAL A 86 5.041 5.774 -3.576 1.00 31.54 C ATOM 1242 CG2 VAL A 86 4.614 8.149 -2.657 1.00 51.23 C ATOM 0 H VAL A 86 2.909 9.056 -5.095 1.00 15.13 H new ATOM 0 HA VAL A 86 5.529 7.684 -5.262 1.00 4.41 H new ATOM 0 HB VAL A 86 3.178 6.824 -3.549 1.00 14.25 H new ATOM 0 HG11 VAL A 86 4.883 5.346 -2.586 1.00 31.54 H new ATOM 0 HG12 VAL A 86 4.715 5.063 -4.335 1.00 31.54 H new ATOM 0 HG13 VAL A 86 6.100 5.990 -3.713 1.00 31.54 H new ATOM 0 HG21 VAL A 86 4.459 7.745 -1.656 1.00 51.23 H new ATOM 0 HG22 VAL A 86 5.663 8.417 -2.782 1.00 51.23 H new ATOM 0 HG23 VAL A 86 3.995 9.036 -2.790 1.00 51.23 H new ATOM 1252 N HIS A 87 4.349 5.976 -6.807 1.00 71.32 N ATOM 1253 CA HIS A 87 3.653 5.119 -7.736 1.00 71.25 C ATOM 1254 C HIS A 87 3.435 3.857 -6.992 1.00 23.33 C ATOM 1255 O HIS A 87 4.371 3.244 -6.550 1.00 12.33 O ATOM 1256 CB HIS A 87 4.462 4.804 -9.008 1.00 63.15 C ATOM 1257 CG HIS A 87 4.693 6.031 -9.851 1.00 33.30 C ATOM 1258 ND1 HIS A 87 3.718 6.558 -10.647 1.00 21.22 N ATOM 1259 CD2 HIS A 87 5.762 6.842 -9.939 1.00 15.44 C ATOM 1260 CE1 HIS A 87 4.185 7.666 -11.211 1.00 62.24 C ATOM 1261 NE2 HIS A 87 5.424 7.858 -10.792 1.00 72.32 N ATOM 0 H HIS A 87 5.358 5.836 -6.764 1.00 71.32 H new ATOM 0 HA HIS A 87 2.741 5.609 -8.075 1.00 71.25 H new ATOM 0 HB2 HIS A 87 5.422 4.371 -8.728 1.00 63.15 H new ATOM 0 HB3 HIS A 87 3.934 4.054 -9.597 1.00 63.15 H new ATOM 0 HD2 HIS A 87 6.708 6.716 -9.433 1.00 15.44 H new ATOM 0 HE1 HIS A 87 3.644 8.302 -11.896 1.00 62.24 H new ATOM 0 HE2 HIS A 87 6.028 8.635 -11.060 1.00 72.32 H new ATOM 1270 N LEU A 88 2.190 3.486 -6.778 1.00 12.14 N ATOM 1271 CA LEU A 88 1.891 2.324 -5.991 1.00 72.44 C ATOM 1272 C LEU A 88 1.215 1.379 -6.906 1.00 4.02 C ATOM 1273 O LEU A 88 0.399 1.778 -7.727 1.00 40.14 O ATOM 1274 CB LEU A 88 0.956 2.625 -4.791 1.00 13.24 C ATOM 1275 CG LEU A 88 1.595 3.604 -3.768 1.00 4.30 C ATOM 1276 CD1 LEU A 88 0.574 4.194 -2.794 1.00 75.41 C ATOM 1277 CD2 LEU A 88 2.809 2.998 -3.043 1.00 41.34 C ATOM 0 H LEU A 88 1.373 3.977 -7.141 1.00 12.14 H new ATOM 0 HA LEU A 88 2.813 1.929 -5.565 1.00 72.44 H new ATOM 0 HB2 LEU A 88 0.022 3.049 -5.160 1.00 13.24 H new ATOM 0 HB3 LEU A 88 0.705 1.691 -4.287 1.00 13.24 H new ATOM 0 HG LEU A 88 1.974 4.439 -4.356 1.00 4.30 H new ATOM 0 HD11 LEU A 88 1.078 4.870 -2.104 1.00 75.41 H new ATOM 0 HD12 LEU A 88 -0.185 4.744 -3.351 1.00 75.41 H new ATOM 0 HD13 LEU A 88 0.100 3.389 -2.232 1.00 75.41 H new ATOM 0 HD21 LEU A 88 3.214 3.727 -2.341 1.00 41.34 H new ATOM 0 HD22 LEU A 88 2.500 2.104 -2.501 1.00 41.34 H new ATOM 0 HD23 LEU A 88 3.574 2.733 -3.773 1.00 41.34 H new ATOM 1289 N LEU A 89 1.577 0.103 -6.809 1.00 13.43 N ATOM 1290 CA LEU A 89 0.970 -0.917 -7.624 1.00 73.11 C ATOM 1291 C LEU A 89 0.220 -1.745 -6.680 1.00 42.42 C ATOM 1292 O LEU A 89 0.756 -2.154 -5.635 1.00 35.43 O ATOM 1293 CB LEU A 89 1.989 -1.832 -8.334 1.00 44.33 C ATOM 1294 CG LEU A 89 2.366 -1.394 -9.769 1.00 23.35 C ATOM 1295 CD1 LEU A 89 2.413 0.137 -9.981 1.00 52.42 C ATOM 1296 CD2 LEU A 89 3.632 -2.107 -10.273 1.00 31.45 C ATOM 0 H LEU A 89 2.292 -0.239 -6.168 1.00 13.43 H new ATOM 0 HA LEU A 89 0.376 -0.447 -8.408 1.00 73.11 H new ATOM 0 HB2 LEU A 89 2.897 -1.876 -7.733 1.00 44.33 H new ATOM 0 HB3 LEU A 89 1.583 -2.843 -8.373 1.00 44.33 H new ATOM 0 HG LEU A 89 1.538 -1.724 -10.397 1.00 23.35 H new ATOM 0 HD11 LEU A 89 2.685 0.353 -11.014 1.00 52.42 H new ATOM 0 HD12 LEU A 89 1.433 0.564 -9.767 1.00 52.42 H new ATOM 0 HD13 LEU A 89 3.154 0.574 -9.312 1.00 52.42 H new ATOM 0 HD21 LEU A 89 3.861 -1.770 -11.284 1.00 31.45 H new ATOM 0 HD22 LEU A 89 4.468 -1.873 -9.614 1.00 31.45 H new ATOM 0 HD23 LEU A 89 3.465 -3.184 -10.278 1.00 31.45 H new ATOM 1308 N LEU A 90 -1.040 -1.997 -7.001 1.00 32.23 N ATOM 1309 CA LEU A 90 -1.872 -2.765 -6.140 1.00 45.30 C ATOM 1310 C LEU A 90 -2.523 -3.778 -7.004 1.00 43.53 C ATOM 1311 O LEU A 90 -2.649 -3.576 -8.214 1.00 1.42 O ATOM 1312 CB LEU A 90 -2.972 -1.950 -5.419 1.00 51.23 C ATOM 1313 CG LEU A 90 -2.421 -0.847 -4.472 1.00 61.12 C ATOM 1314 CD1 LEU A 90 -2.125 0.487 -5.186 1.00 72.34 C ATOM 1315 CD2 LEU A 90 -3.307 -0.648 -3.243 1.00 70.11 C ATOM 0 H LEU A 90 -1.492 -1.673 -7.856 1.00 32.23 H new ATOM 0 HA LEU A 90 -1.252 -3.185 -5.348 1.00 45.30 H new ATOM 0 HB2 LEU A 90 -3.615 -1.485 -6.167 1.00 51.23 H new ATOM 0 HB3 LEU A 90 -3.596 -2.632 -4.842 1.00 51.23 H new ATOM 0 HG LEU A 90 -1.457 -1.218 -4.124 1.00 61.12 H new ATOM 0 HD11 LEU A 90 -1.744 1.209 -4.464 1.00 72.34 H new ATOM 0 HD12 LEU A 90 -1.380 0.325 -5.965 1.00 72.34 H new ATOM 0 HD13 LEU A 90 -3.041 0.871 -5.634 1.00 72.34 H new ATOM 0 HD21 LEU A 90 -2.882 0.132 -2.611 1.00 70.11 H new ATOM 0 HD22 LEU A 90 -4.308 -0.354 -3.560 1.00 70.11 H new ATOM 0 HD23 LEU A 90 -3.364 -1.580 -2.681 1.00 70.11 H new ATOM 1327 N GLU A 91 -2.905 -4.915 -6.406 1.00 31.15 N ATOM 1328 CA GLU A 91 -3.564 -5.973 -7.123 1.00 1.32 C ATOM 1329 C GLU A 91 -4.888 -6.065 -6.476 1.00 13.10 C ATOM 1330 O GLU A 91 -4.970 -6.063 -5.242 1.00 42.44 O ATOM 1331 CB GLU A 91 -2.877 -7.363 -6.933 1.00 1.15 C ATOM 1332 CG GLU A 91 -3.534 -8.520 -7.736 1.00 25.05 C ATOM 1333 CD GLU A 91 -3.033 -9.854 -7.199 1.00 61.32 C ATOM 1334 OE1 GLU A 91 -2.304 -9.866 -6.178 1.00 11.43 O ATOM 1335 OE2 GLU A 91 -3.392 -10.900 -7.763 1.00 51.54 O ATOM 0 H GLU A 91 -2.759 -5.110 -5.416 1.00 31.15 H new ATOM 0 HA GLU A 91 -3.565 -5.755 -8.191 1.00 1.32 H new ATOM 0 HB2 GLU A 91 -1.831 -7.281 -7.228 1.00 1.15 H new ATOM 0 HB3 GLU A 91 -2.890 -7.619 -5.874 1.00 1.15 H new ATOM 0 HG2 GLU A 91 -4.619 -8.466 -7.652 1.00 25.05 H new ATOM 0 HG3 GLU A 91 -3.291 -8.427 -8.795 1.00 25.05 H new ATOM 1342 N LYS A 92 -5.975 -6.133 -7.264 1.00 12.24 N ATOM 1343 CA LYS A 92 -7.282 -6.287 -6.683 1.00 10.15 C ATOM 1344 C LYS A 92 -7.346 -7.639 -5.971 1.00 74.04 C ATOM 1345 O LYS A 92 -6.883 -8.660 -6.486 1.00 74.45 O ATOM 1346 CB LYS A 92 -8.446 -6.180 -7.699 1.00 10.03 C ATOM 1347 CG LYS A 92 -9.519 -5.146 -7.313 1.00 24.33 C ATOM 1348 CD LYS A 92 -10.145 -5.389 -5.929 1.00 31.21 C ATOM 1349 CE LYS A 92 -11.396 -4.544 -5.629 1.00 23.41 C ATOM 1350 NZ LYS A 92 -11.111 -3.093 -5.707 1.00 32.11 N ATOM 0 H LYS A 92 -5.958 -6.083 -8.283 1.00 12.24 H new ATOM 0 HA LYS A 92 -7.417 -5.459 -5.987 1.00 10.15 H new ATOM 0 HB2 LYS A 92 -8.039 -5.919 -8.676 1.00 10.03 H new ATOM 0 HB3 LYS A 92 -8.917 -7.157 -7.800 1.00 10.03 H new ATOM 0 HG2 LYS A 92 -9.075 -4.151 -7.331 1.00 24.33 H new ATOM 0 HG3 LYS A 92 -10.308 -5.156 -8.065 1.00 24.33 H new ATOM 0 HD2 LYS A 92 -10.407 -6.444 -5.845 1.00 31.21 H new ATOM 0 HD3 LYS A 92 -9.394 -5.185 -5.165 1.00 31.21 H new ATOM 0 HE2 LYS A 92 -12.185 -4.798 -6.337 1.00 23.41 H new ATOM 0 HE3 LYS A 92 -11.770 -4.788 -4.635 1.00 23.41 H new ATOM 0 HZ1 LYS A 92 -11.974 -2.557 -5.482 1.00 32.11 H new ATOM 0 HZ2 LYS A 92 -10.364 -2.849 -5.026 1.00 32.11 H new ATOM 0 HZ3 LYS A 92 -10.795 -2.852 -6.668 1.00 32.11 H new ATOM 1364 N GLY A 93 -7.908 -7.626 -4.776 1.00 2.24 N ATOM 1365 CA GLY A 93 -7.939 -8.783 -3.932 1.00 52.23 C ATOM 1366 C GLY A 93 -7.869 -8.264 -2.558 1.00 0.34 C ATOM 1367 O GLY A 93 -7.029 -8.672 -1.763 1.00 54.15 O ATOM 0 H GLY A 93 -8.355 -6.803 -4.371 1.00 2.24 H new ATOM 0 HA2 GLY A 93 -8.851 -9.360 -4.089 1.00 52.23 H new ATOM 0 HA3 GLY A 93 -7.101 -9.447 -4.145 1.00 52.23 H new ATOM 1371 N GLN A 94 -8.751 -7.318 -2.240 1.00 10.15 N ATOM 1372 CA GLN A 94 -8.730 -6.717 -0.945 1.00 15.22 C ATOM 1373 C GLN A 94 -9.538 -7.585 -0.053 1.00 74.21 C ATOM 1374 O GLN A 94 -10.489 -8.246 -0.495 1.00 71.41 O ATOM 1375 CB GLN A 94 -9.374 -5.306 -0.912 1.00 53.21 C ATOM 1376 CG GLN A 94 -10.809 -5.266 -1.495 1.00 0.03 C ATOM 1377 CD GLN A 94 -11.396 -3.895 -1.246 1.00 60.44 C ATOM 1378 OE1 GLN A 94 -11.612 -3.118 -2.181 1.00 1.03 O ATOM 1379 NE2 GLN A 94 -11.656 -3.571 0.035 1.00 32.23 N ATOM 0 H GLN A 94 -9.475 -6.967 -2.867 1.00 10.15 H new ATOM 0 HA GLN A 94 -7.688 -6.614 -0.641 1.00 15.22 H new ATOM 0 HB2 GLN A 94 -9.399 -4.951 0.118 1.00 53.21 H new ATOM 0 HB3 GLN A 94 -8.744 -4.615 -1.472 1.00 53.21 H new ATOM 0 HG2 GLN A 94 -10.789 -5.480 -2.564 1.00 0.03 H new ATOM 0 HG3 GLN A 94 -11.428 -6.032 -1.028 1.00 0.03 H new ATOM 0 HE21 GLN A 94 -11.464 -4.241 0.780 1.00 32.23 H new ATOM 0 HE22 GLN A 94 -12.045 -2.656 0.261 1.00 32.23 H new ATOM 1388 N SER A 95 -9.215 -7.587 1.232 1.00 51.23 N ATOM 1389 CA SER A 95 -10.078 -8.152 2.204 1.00 41.34 C ATOM 1390 C SER A 95 -11.058 -7.021 2.534 1.00 2.34 C ATOM 1391 O SER A 95 -10.858 -5.861 2.106 1.00 0.22 O ATOM 1392 CB SER A 95 -9.268 -8.559 3.475 1.00 34.42 C ATOM 1393 OG SER A 95 -8.221 -7.611 3.739 1.00 4.14 O ATOM 0 H SER A 95 -8.351 -7.196 1.607 1.00 51.23 H new ATOM 0 HA SER A 95 -10.580 -9.053 1.851 1.00 41.34 H new ATOM 0 HB2 SER A 95 -9.936 -8.618 4.334 1.00 34.42 H new ATOM 0 HB3 SER A 95 -8.839 -9.551 3.336 1.00 34.42 H new ATOM 0 HG SER A 95 -7.727 -7.884 4.540 1.00 4.14 H new ATOM 1399 N PRO A 96 -12.147 -7.335 3.259 1.00 50.51 N ATOM 1400 CA PRO A 96 -13.098 -6.320 3.694 1.00 2.24 C ATOM 1401 C PRO A 96 -12.386 -5.351 4.610 1.00 14.45 C ATOM 1402 O PRO A 96 -11.306 -5.681 5.119 1.00 72.34 O ATOM 1403 CB PRO A 96 -14.199 -7.111 4.437 1.00 54.31 C ATOM 1404 CG PRO A 96 -13.533 -8.453 4.816 1.00 44.21 C ATOM 1405 CD PRO A 96 -12.541 -8.689 3.674 1.00 62.44 C ATOM 0 HA PRO A 96 -13.523 -5.734 2.879 1.00 2.24 H new ATOM 0 HB2 PRO A 96 -14.542 -6.575 5.322 1.00 54.31 H new ATOM 0 HB3 PRO A 96 -15.071 -7.267 3.802 1.00 54.31 H new ATOM 0 HG2 PRO A 96 -13.029 -8.394 5.781 1.00 44.21 H new ATOM 0 HG3 PRO A 96 -14.264 -9.259 4.887 1.00 44.21 H new ATOM 0 HD2 PRO A 96 -11.681 -9.271 4.006 1.00 62.44 H new ATOM 0 HD3 PRO A 96 -13.001 -9.240 2.854 1.00 62.44 H new ATOM 1413 N THR A 97 -12.956 -4.164 4.805 1.00 64.34 N ATOM 1414 CA THR A 97 -12.336 -3.161 5.615 1.00 62.32 C ATOM 1415 C THR A 97 -12.669 -3.530 7.071 1.00 31.25 C ATOM 1416 O THR A 97 -11.741 -3.769 7.864 1.00 54.10 O ATOM 1417 CB THR A 97 -12.856 -1.767 5.315 1.00 3.10 C ATOM 1418 OG1 THR A 97 -14.275 -1.800 5.091 1.00 12.55 O ATOM 1419 CG2 THR A 97 -12.156 -1.261 4.041 1.00 3.12 C ATOM 0 H THR A 97 -13.852 -3.888 4.403 1.00 64.34 H new ATOM 0 HA THR A 97 -11.264 -3.137 5.418 1.00 62.32 H new ATOM 0 HB THR A 97 -12.652 -1.109 6.159 1.00 3.10 H new ATOM 0 HG1 THR A 97 -14.597 -0.894 4.900 1.00 12.55 H new ATOM 0 HG21 THR A 97 -12.513 -0.259 3.803 1.00 3.12 H new ATOM 0 HG22 THR A 97 -11.079 -1.233 4.204 1.00 3.12 H new ATOM 0 HG23 THR A 97 -12.380 -1.932 3.212 1.00 3.12 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 0.421 2.019 11.507 1.00 64.44 C HETATM 1429 C2 33B A 101 1.674 1.179 11.791 1.00 14.14 C HETATM 1430 O2 33B A 101 1.727 -0.003 11.441 1.00 62.15 O HETATM 1431 N3 33B A 101 2.682 1.837 12.471 1.00 45.24 N HETATM 1432 C4 33B A 101 3.962 1.206 13.054 1.00 65.32 C HETATM 1433 C5 33B A 101 4.229 -0.186 12.923 1.00 1.21 C HETATM 1434 C6 33B A 101 4.920 2.019 13.834 1.00 2.45 C HETATM 1435 S6 33B A 101 4.707 3.785 14.169 1.00 62.14 S HETATM 1436 C7 33B A 101 5.317 -0.772 13.570 1.00 5.25 C HETATM 1437 C8 33B A 101 6.008 1.361 14.465 1.00 44.42 C HETATM 1438 C9 33B A 101 6.190 -0.022 14.361 1.00 32.04 C HETATM 1439 N10 33B A 101 7.160 -0.733 15.255 1.00 44.33 N HETATM 1440 N11 33B A 101 8.417 -0.872 15.143 1.00 54.35 N HETATM 1441 C12 33B A 101 9.382 -0.380 14.079 1.00 35.23 C HETATM 1442 C13 33B A 101 8.991 0.158 12.838 1.00 43.15 C HETATM 1443 C14 33B A 101 10.730 -0.543 14.345 1.00 4.23 C HETATM 1444 C15 33B A 101 9.957 0.515 11.868 1.00 73.14 C HETATM 1445 C16 33B A 101 11.741 -0.223 13.428 1.00 3.45 C HETATM 1446 C17 33B A 101 11.368 0.308 12.110 1.00 42.02 C HETATM 1447 S17 33B A 101 13.431 -0.595 13.934 1.00 51.30 S HETATM 1448 N18 33B A 101 12.485 0.628 11.057 1.00 31.04 N HETATM 1449 C19 33B A 101 12.367 1.037 9.731 1.00 0.12 C HETATM 1450 O19 33B A 101 13.334 1.518 9.140 1.00 51.41 O HETATM 1451 C20 33B A 101 11.080 0.837 8.973 1.00 55.33 C HETATM 1452 O61 33B A 101 3.644 4.213 13.295 1.00 42.24 O HETATM 1453 O62 33B A 101 4.386 3.778 15.582 1.00 20.13 O HETATM 1454 O63 33B A 101 6.010 4.341 13.848 1.00 13.34 O HETATM 1455 O71 33B A 101 14.269 0.208 13.072 1.00 43.22 O HETATM 1456 O72 33B A 101 13.426 -0.191 15.326 1.00 22.22 O HETATM 1457 O73 33B A 101 13.485 -2.023 13.711 1.00 53.22 O HETATM 0 HO72 33B A 101 14.311 -0.351 15.716 1.00 22.22 H new HETATM 0 HO62 33B A 101 4.246 4.698 15.890 1.00 20.13 H new HETATM 0 HN18 33B A 101 13.442 0.520 11.394 1.00 31.04 H new HETATM 0 HN3 33B A 101 2.567 2.842 12.600 1.00 45.24 H new HETATM 0 H8 33B A 101 6.720 1.948 15.045 1.00 44.42 H new HETATM 0 H7 33B A 101 5.490 -1.842 13.455 1.00 5.25 H new HETATM 0 H5 33B A 101 3.574 -0.803 12.308 1.00 1.21 H new HETATM 0 H15 33B A 101 9.633 0.953 10.924 1.00 73.14 H new HETATM 0 H14 33B A 101 11.021 -0.941 15.317 1.00 4.23 H new HETATM 0 H13 33B A 101 7.932 0.301 12.622 1.00 43.15 H new