USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.0045) USER MOD Single : A 68 CYS SG : rot 55:sc= -0.166 USER MOD Single : A 82 ASN : amide:sc= -0.0419 X(o=-0.042,f=-0.042) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -147:sc= -0.452 (180deg=-1.68!) USER MOD Single : A 90 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.099) USER MOD Single : A 91 LYS NZ :NH3+ 151:sc= -0.305 (180deg=-1.05) USER MOD Single : A 92 SER OG : rot 40:sc= 0.155 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.92 X(o=-0.92,f=-0.59) USER MOD Single : A 96 LYS NZ :NH3+ -167:sc= -0.427 (180deg=-0.666) USER MOD Single : A 97 LYS NZ :NH3+ 154:sc= -0.0746 (180deg=-0.51) USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= -0.14 (180deg=-0.764) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -73:sc= 1.24 USER MOD Single : A 108 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-2.2) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HE2:sc= -2.29! C(o=-2.3!,f=-4.8!) USER MOD Single : A 116 LYS NZ :NH3+ 140:sc= -0.195 (180deg=-0.762) USER MOD Single : A 117 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.34) USER MOD Single : A 120 GLN : amide:sc= -0.599 K(o=-0.6,f=-0.022) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 164:sc= -0.178 (180deg=-0.556) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -15.516 -2.920 12.089 1.00 0.00 N ATOM 2 CA SER A 61 -16.281 -1.931 11.296 1.00 0.00 C ATOM 3 C SER A 61 -15.364 -1.171 10.342 1.00 0.00 C ATOM 4 O SER A 61 -15.504 -1.293 9.129 1.00 0.00 O ATOM 5 CB SER A 61 -17.027 -0.964 12.214 1.00 0.00 C ATOM 6 OG SER A 61 -17.828 -0.063 11.470 1.00 0.00 O ATOM 0 HA SER A 61 -17.016 -2.471 10.699 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.655 -1.526 12.905 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.311 -0.405 12.816 1.00 0.00 H new ATOM 0 HG SER A 61 -18.295 0.543 12.083 1.00 0.00 H new ATOM 14 N ASN A 62 -14.423 -0.390 10.875 1.00 0.00 N ATOM 15 CA ASN A 62 -13.502 0.357 10.018 1.00 0.00 C ATOM 16 C ASN A 62 -12.067 -0.136 10.175 1.00 0.00 C ATOM 17 O ASN A 62 -11.110 0.610 9.962 1.00 0.00 O ATOM 18 CB ASN A 62 -13.592 1.856 10.294 1.00 0.00 C ATOM 19 CG ASN A 62 -14.864 2.455 9.726 1.00 0.00 C ATOM 20 OD1 ASN A 62 -15.894 2.498 10.397 1.00 0.00 O ATOM 21 ND2 ASN A 62 -14.802 2.911 8.480 1.00 0.00 N ATOM 0 H ASN A 62 -14.280 -0.259 11.876 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.802 0.181 8.985 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.556 2.031 11.369 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.728 2.359 9.860 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.630 3.317 8.044 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.927 2.855 7.960 1.00 0.00 H new ATOM 28 N ALA A 63 -11.931 -1.396 10.566 1.00 0.00 N ATOM 29 CA ALA A 63 -10.624 -2.024 10.717 1.00 0.00 C ATOM 30 C ALA A 63 -10.726 -3.547 10.620 1.00 0.00 C ATOM 31 O ALA A 63 -9.783 -4.259 10.965 1.00 0.00 O ATOM 32 CB ALA A 63 -9.989 -1.619 12.038 1.00 0.00 C ATOM 0 H ALA A 63 -12.717 -2.008 10.786 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.990 -1.677 9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.014 -2.097 12.135 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.867 -0.536 12.066 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.630 -1.933 12.861 1.00 0.00 H new ATOM 38 N GLY A 64 -11.862 -4.046 10.129 1.00 0.00 N ATOM 39 CA GLY A 64 -12.049 -5.478 10.013 1.00 0.00 C ATOM 40 C GLY A 64 -12.051 -5.943 8.574 1.00 0.00 C ATOM 41 O GLY A 64 -12.528 -7.035 8.266 1.00 0.00 O ATOM 0 H GLY A 64 -12.651 -3.483 9.812 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.256 -5.991 10.557 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.991 -5.758 10.484 1.00 0.00 H new ATOM 45 N GLN A 65 -11.514 -5.111 7.693 1.00 0.00 N ATOM 46 CA GLN A 65 -11.447 -5.437 6.279 1.00 0.00 C ATOM 47 C GLN A 65 -10.066 -5.967 5.932 1.00 0.00 C ATOM 48 O GLN A 65 -9.211 -6.106 6.806 1.00 0.00 O ATOM 49 CB GLN A 65 -11.770 -4.203 5.433 1.00 0.00 C ATOM 50 CG GLN A 65 -13.225 -3.775 5.532 1.00 0.00 C ATOM 51 CD GLN A 65 -14.124 -4.443 4.501 1.00 0.00 C ATOM 52 OE1 GLN A 65 -15.178 -3.910 4.155 1.00 0.00 O ATOM 53 NE2 GLN A 65 -13.720 -5.607 3.994 1.00 0.00 N ATOM 0 H GLN A 65 -11.118 -4.203 7.935 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.185 -6.209 6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.133 -3.377 5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.529 -4.412 4.391 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.596 -4.005 6.531 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.287 -2.694 5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.840 -6.020 4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.290 -6.085 3.296 1.00 0.00 H new ATOM 62 N LEU A 66 -9.848 -6.263 4.662 1.00 0.00 N ATOM 63 CA LEU A 66 -8.563 -6.778 4.230 1.00 0.00 C ATOM 64 C LEU A 66 -7.873 -5.834 3.259 1.00 0.00 C ATOM 65 O LEU A 66 -8.494 -4.926 2.705 1.00 0.00 O ATOM 66 CB LEU A 66 -8.716 -8.160 3.615 1.00 0.00 C ATOM 67 CG LEU A 66 -8.061 -9.261 4.438 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.078 -9.977 5.304 1.00 0.00 C ATOM 69 CD2 LEU A 66 -7.335 -10.233 3.546 1.00 0.00 C ATOM 0 H LEU A 66 -10.538 -6.156 3.919 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.931 -6.858 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.777 -8.384 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.281 -8.156 2.615 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.331 -8.795 5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.580 -10.757 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.542 -9.264 5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.844 -10.425 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.874 -11.011 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.042 -10.687 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.563 -9.706 2.986 1.00 0.00 H new ATOM 81 N CYS A 67 -6.578 -6.058 3.070 1.00 0.00 N ATOM 82 CA CYS A 67 -5.770 -5.242 2.176 1.00 0.00 C ATOM 83 C CYS A 67 -6.298 -5.303 0.744 1.00 0.00 C ATOM 84 O CYS A 67 -6.853 -6.318 0.323 1.00 0.00 O ATOM 85 CB CYS A 67 -4.317 -5.715 2.222 1.00 0.00 C ATOM 86 SG CYS A 67 -3.227 -4.883 1.049 1.00 0.00 S ATOM 0 H CYS A 67 -6.062 -6.807 3.531 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.826 -4.206 2.510 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.930 -5.564 3.230 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.290 -6.787 2.027 1.00 0.00 H new ATOM 91 N CYS A 68 -6.120 -4.212 0.000 1.00 0.00 N ATOM 92 CA CYS A 68 -6.587 -4.147 -1.381 1.00 0.00 C ATOM 93 C CYS A 68 -5.418 -4.106 -2.363 1.00 0.00 C ATOM 94 O CYS A 68 -5.463 -3.395 -3.367 1.00 0.00 O ATOM 95 CB CYS A 68 -7.482 -2.925 -1.592 1.00 0.00 C ATOM 96 SG CYS A 68 -6.615 -1.343 -1.488 1.00 0.00 S ATOM 0 H CYS A 68 -5.657 -3.365 0.330 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.166 -5.051 -1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.958 -3.002 -2.570 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.278 -2.939 -0.848 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.623 -1.336 -2.328 1.00 0.00 H new ATOM 102 N LEU A 69 -4.371 -4.864 -2.063 1.00 0.00 N ATOM 103 CA LEU A 69 -3.202 -4.938 -2.929 1.00 0.00 C ATOM 104 C LEU A 69 -2.819 -6.392 -3.158 1.00 0.00 C ATOM 105 O LEU A 69 -2.971 -7.229 -2.267 1.00 0.00 O ATOM 106 CB LEU A 69 -2.027 -4.181 -2.313 1.00 0.00 C ATOM 107 CG LEU A 69 -2.344 -2.763 -1.849 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.163 -2.177 -1.092 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.711 -1.880 -3.032 1.00 0.00 C ATOM 0 H LEU A 69 -4.308 -5.439 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.449 -4.476 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.654 -4.751 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.220 -4.136 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.201 -2.805 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.405 -1.165 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.946 -2.795 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.290 -2.150 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.933 -0.873 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.876 -1.843 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.587 -2.290 -3.534 1.00 0.00 H new ATOM 121 N ARG A 70 -2.319 -6.692 -4.348 1.00 0.00 N ATOM 122 CA ARG A 70 -1.930 -8.054 -4.679 1.00 0.00 C ATOM 123 C ARG A 70 -0.432 -8.158 -4.938 1.00 0.00 C ATOM 124 O ARG A 70 0.074 -7.618 -5.922 1.00 0.00 O ATOM 125 CB ARG A 70 -2.698 -8.538 -5.908 1.00 0.00 C ATOM 126 CG ARG A 70 -4.194 -8.286 -5.828 1.00 0.00 C ATOM 127 CD ARG A 70 -4.935 -9.030 -6.925 1.00 0.00 C ATOM 128 NE ARG A 70 -4.620 -10.456 -6.914 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.029 -11.309 -7.845 1.00 0.00 C ATOM 130 NH1 ARG A 70 -5.779 -10.885 -8.854 1.00 0.00 N ATOM 131 NH2 ARG A 70 -4.690 -12.588 -7.767 1.00 0.00 N ATOM 0 H ARG A 70 -2.174 -6.014 -5.096 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.174 -8.685 -3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.301 -8.041 -6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.524 -9.606 -6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.567 -8.602 -4.854 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.391 -7.217 -5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.009 -8.893 -6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.673 -8.606 -7.894 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.053 -10.817 -6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.043 -9.902 -8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.092 -11.542 -9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.115 -12.917 -6.991 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.004 -13.243 -8.482 1.00 0.00 H new ATOM 145 N GLU A 71 0.276 -8.850 -4.051 1.00 0.00 N ATOM 146 CA GLU A 71 1.712 -9.034 -4.211 1.00 0.00 C ATOM 147 C GLU A 71 1.986 -10.298 -5.016 1.00 0.00 C ATOM 148 O GLU A 71 2.105 -11.390 -4.459 1.00 0.00 O ATOM 149 CB GLU A 71 2.410 -9.114 -2.852 1.00 0.00 C ATOM 150 CG GLU A 71 3.924 -9.184 -2.960 1.00 0.00 C ATOM 151 CD GLU A 71 4.588 -9.561 -1.651 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.873 -8.650 -0.844 1.00 0.00 O ATOM 153 OE2 GLU A 71 4.824 -10.767 -1.433 1.00 0.00 O ATOM 0 H GLU A 71 -0.119 -9.290 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 71 2.111 -8.172 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.135 -8.243 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.049 -9.992 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.196 -9.913 -3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.305 -8.218 -3.291 1.00 0.00 H new ATOM 160 N ASP A 72 2.073 -10.138 -6.332 1.00 0.00 N ATOM 161 CA ASP A 72 2.316 -11.257 -7.232 1.00 0.00 C ATOM 162 C ASP A 72 1.111 -12.193 -7.259 1.00 0.00 C ATOM 163 O ASP A 72 1.259 -13.415 -7.281 1.00 0.00 O ATOM 164 CB ASP A 72 3.573 -12.025 -6.820 1.00 0.00 C ATOM 165 CG ASP A 72 4.355 -12.527 -8.020 1.00 0.00 C ATOM 166 OD1 ASP A 72 3.720 -12.923 -9.020 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.603 -12.513 -7.964 1.00 0.00 O ATOM 0 H ASP A 72 1.978 -9.237 -6.801 1.00 0.00 H new ATOM 0 HA ASP A 72 2.471 -10.857 -8.234 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.211 -11.379 -6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.291 -12.870 -6.192 1.00 0.00 H new ATOM 172 N GLY A 73 -0.081 -11.605 -7.255 1.00 0.00 N ATOM 173 CA GLY A 73 -1.300 -12.393 -7.285 1.00 0.00 C ATOM 174 C GLY A 73 -1.801 -12.772 -5.901 1.00 0.00 C ATOM 175 O GLY A 73 -2.866 -13.376 -5.771 1.00 0.00 O ATOM 0 H GLY A 73 -0.225 -10.595 -7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.076 -11.831 -7.804 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.124 -13.301 -7.862 1.00 0.00 H new ATOM 179 N GLU A 74 -1.044 -12.420 -4.866 1.00 0.00 N ATOM 180 CA GLU A 74 -1.435 -12.743 -3.497 1.00 0.00 C ATOM 181 C GLU A 74 -2.209 -11.600 -2.858 1.00 0.00 C ATOM 182 O GLU A 74 -1.706 -10.483 -2.752 1.00 0.00 O ATOM 183 CB GLU A 74 -0.204 -13.074 -2.653 1.00 0.00 C ATOM 184 CG GLU A 74 0.020 -14.565 -2.471 1.00 0.00 C ATOM 185 CD GLU A 74 -1.237 -15.282 -2.021 1.00 0.00 C ATOM 186 OE1 GLU A 74 -1.964 -14.727 -1.170 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.499 -16.394 -2.525 1.00 0.00 O ATOM 0 H GLU A 74 -0.162 -11.914 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.086 -13.616 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.677 -12.636 -3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.308 -12.608 -1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.366 -14.996 -3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.810 -14.725 -1.737 1.00 0.00 H new ATOM 194 N ARG A 75 -3.429 -11.889 -2.408 1.00 0.00 N ATOM 195 CA ARG A 75 -4.270 -10.871 -1.790 1.00 0.00 C ATOM 196 C ARG A 75 -3.831 -10.587 -0.355 1.00 0.00 C ATOM 197 O ARG A 75 -4.639 -10.658 0.563 1.00 0.00 O ATOM 198 CB ARG A 75 -5.723 -11.346 -1.787 1.00 0.00 C ATOM 199 CG ARG A 75 -6.736 -10.218 -1.784 1.00 0.00 C ATOM 200 CD ARG A 75 -7.176 -9.871 -3.196 1.00 0.00 C ATOM 201 NE ARG A 75 -8.018 -10.917 -3.776 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.895 -10.707 -4.755 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.047 -9.494 -5.268 1.00 0.00 N ATOM 204 NH2 ARG A 75 -9.621 -11.714 -5.222 1.00 0.00 N ATOM 0 H ARG A 75 -3.853 -12.815 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.174 -9.952 -2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.893 -11.972 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.889 -11.973 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.604 -10.506 -1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.303 -9.338 -1.309 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.724 -8.929 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.298 -9.722 -3.824 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.928 -11.864 -3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.491 -8.717 -4.913 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.720 -9.338 -6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.507 -12.649 -4.831 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.293 -11.553 -5.972 1.00 0.00 H new ATOM 218 N CYS A 76 -2.568 -10.186 -0.202 1.00 0.00 N ATOM 219 CA CYS A 76 -1.969 -9.861 1.098 1.00 0.00 C ATOM 220 C CYS A 76 -2.349 -10.839 2.222 1.00 0.00 C ATOM 221 O CYS A 76 -1.542 -11.681 2.619 1.00 0.00 O ATOM 222 CB CYS A 76 -2.329 -8.429 1.492 1.00 0.00 C ATOM 223 SG CYS A 76 -1.047 -7.593 2.451 1.00 0.00 S ATOM 0 H CYS A 76 -1.923 -10.076 -0.985 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.890 -9.957 0.973 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.528 -7.853 0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.252 -8.443 2.071 1.00 0.00 H new ATOM 228 N GLY A 77 -3.565 -10.719 2.742 1.00 0.00 N ATOM 229 CA GLY A 77 -3.999 -11.577 3.828 1.00 0.00 C ATOM 230 C GLY A 77 -4.113 -10.797 5.117 1.00 0.00 C ATOM 231 O GLY A 77 -4.978 -11.068 5.951 1.00 0.00 O ATOM 0 H GLY A 77 -4.260 -10.041 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.962 -12.023 3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.291 -12.396 3.955 1.00 0.00 H new ATOM 235 N ARG A 78 -3.225 -9.820 5.275 1.00 0.00 N ATOM 236 CA ARG A 78 -3.226 -8.966 6.450 1.00 0.00 C ATOM 237 C ARG A 78 -4.368 -7.966 6.346 1.00 0.00 C ATOM 238 O ARG A 78 -4.628 -7.417 5.275 1.00 0.00 O ATOM 239 CB ARG A 78 -1.888 -8.238 6.579 1.00 0.00 C ATOM 240 CG ARG A 78 -1.811 -7.312 7.780 1.00 0.00 C ATOM 241 CD ARG A 78 -0.394 -6.812 8.004 1.00 0.00 C ATOM 242 NE ARG A 78 -0.324 -5.863 9.112 1.00 0.00 N ATOM 243 CZ ARG A 78 0.716 -5.747 9.939 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.799 -6.501 9.779 1.00 0.00 N ATOM 245 NH2 ARG A 78 0.676 -4.865 10.928 1.00 0.00 N ATOM 0 H ARG A 78 -2.494 -9.602 4.598 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.367 -9.579 7.340 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.088 -8.975 6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.710 -7.659 5.673 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.479 -6.463 7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.158 -7.838 8.670 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.262 -7.658 8.208 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.028 -6.336 7.094 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.124 -5.248 9.263 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.841 -7.178 9.017 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.588 -6.403 10.418 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.148 -4.278 11.055 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.470 -4.774 11.562 1.00 0.00 H new ATOM 259 N ALA A 79 -5.052 -7.730 7.452 1.00 0.00 N ATOM 260 CA ALA A 79 -6.182 -6.815 7.453 1.00 0.00 C ATOM 261 C ALA A 79 -5.769 -5.399 7.055 1.00 0.00 C ATOM 262 O ALA A 79 -4.582 -5.076 6.998 1.00 0.00 O ATOM 263 CB ALA A 79 -6.854 -6.827 8.810 1.00 0.00 C ATOM 0 H ALA A 79 -4.847 -8.156 8.356 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.895 -7.157 6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.700 -6.139 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.207 -7.834 9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.140 -6.516 9.572 1.00 0.00 H new ATOM 269 N ALA A 80 -6.767 -4.562 6.775 1.00 0.00 N ATOM 270 CA ALA A 80 -6.528 -3.180 6.369 1.00 0.00 C ATOM 271 C ALA A 80 -6.199 -2.294 7.566 1.00 0.00 C ATOM 272 O ALA A 80 -6.686 -2.524 8.673 1.00 0.00 O ATOM 273 CB ALA A 80 -7.738 -2.636 5.624 1.00 0.00 C ATOM 0 H ALA A 80 -7.753 -4.820 6.823 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.665 -3.171 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.548 -1.605 5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.922 -3.242 4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.612 -2.671 6.275 1.00 0.00 H new ATOM 279 N GLY A 81 -5.379 -1.273 7.330 1.00 0.00 N ATOM 280 CA GLY A 81 -4.986 -0.374 8.400 1.00 0.00 C ATOM 281 C GLY A 81 -5.642 0.992 8.313 1.00 0.00 C ATOM 282 O GLY A 81 -6.762 1.126 7.820 1.00 0.00 O ATOM 0 H GLY A 81 -4.980 -1.053 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.238 -0.829 9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.903 -0.250 8.381 1.00 0.00 H new ATOM 286 N ASN A 82 -4.927 2.009 8.787 1.00 0.00 N ATOM 287 CA ASN A 82 -5.437 3.377 8.796 1.00 0.00 C ATOM 288 C ASN A 82 -4.972 4.178 7.577 1.00 0.00 C ATOM 289 O ASN A 82 -5.370 5.329 7.399 1.00 0.00 O ATOM 290 CB ASN A 82 -4.988 4.076 10.081 1.00 0.00 C ATOM 291 CG ASN A 82 -5.808 5.311 10.394 1.00 0.00 C ATOM 292 OD1 ASN A 82 -5.380 6.437 10.146 1.00 0.00 O ATOM 293 ND2 ASN A 82 -7.000 5.101 10.941 1.00 0.00 N ATOM 0 H ASN A 82 -3.988 1.910 9.172 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.525 3.328 8.753 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.060 3.377 10.914 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.938 4.356 9.990 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.601 5.892 11.173 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.314 4.149 11.129 1.00 0.00 H new ATOM 300 N ALA A 83 -4.135 3.574 6.737 1.00 0.00 N ATOM 301 CA ALA A 83 -3.630 4.257 5.550 1.00 0.00 C ATOM 302 C ALA A 83 -4.620 4.170 4.393 1.00 0.00 C ATOM 303 O ALA A 83 -5.579 3.399 4.438 1.00 0.00 O ATOM 304 CB ALA A 83 -2.287 3.678 5.137 1.00 0.00 C ATOM 0 H ALA A 83 -3.794 2.620 6.855 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.501 5.309 5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.924 4.198 4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.571 3.803 5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.401 2.617 4.914 1.00 0.00 H new ATOM 310 N SER A 84 -4.375 4.966 3.359 1.00 0.00 N ATOM 311 CA SER A 84 -5.237 4.984 2.185 1.00 0.00 C ATOM 312 C SER A 84 -4.406 4.928 0.909 1.00 0.00 C ATOM 313 O SER A 84 -3.277 5.416 0.870 1.00 0.00 O ATOM 314 CB SER A 84 -6.093 6.252 2.177 1.00 0.00 C ATOM 315 OG SER A 84 -6.366 6.695 3.496 1.00 0.00 O ATOM 0 H SER A 84 -3.584 5.609 3.310 1.00 0.00 H new ATOM 0 HA SER A 84 -5.885 4.109 2.226 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.577 7.038 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.030 6.058 1.654 1.00 0.00 H new ATOM 0 HG SER A 84 -6.913 7.507 3.462 1.00 0.00 H new ATOM 321 N PHE A 85 -4.966 4.324 -0.133 1.00 0.00 N ATOM 322 CA PHE A 85 -4.278 4.230 -1.414 1.00 0.00 C ATOM 323 C PHE A 85 -4.419 5.548 -2.163 1.00 0.00 C ATOM 324 O PHE A 85 -5.516 5.921 -2.581 1.00 0.00 O ATOM 325 CB PHE A 85 -4.850 3.082 -2.244 1.00 0.00 C ATOM 326 CG PHE A 85 -4.133 2.847 -3.544 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.861 2.297 -3.565 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.743 3.161 -4.747 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.212 2.065 -4.764 1.00 0.00 C ATOM 330 CE2 PHE A 85 -4.102 2.926 -5.948 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.837 2.379 -5.957 1.00 0.00 C ATOM 0 H PHE A 85 -5.891 3.894 -0.116 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.221 4.029 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.815 2.167 -1.652 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.900 3.287 -2.453 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.372 2.047 -2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.732 3.595 -4.746 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.219 1.640 -4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.592 3.171 -6.879 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.334 2.196 -6.895 1.00 0.00 H new ATOM 341 N SER A 86 -3.308 6.253 -2.321 1.00 0.00 N ATOM 342 CA SER A 86 -3.316 7.542 -2.996 1.00 0.00 C ATOM 343 C SER A 86 -2.511 7.503 -4.291 1.00 0.00 C ATOM 344 O SER A 86 -2.163 6.435 -4.793 1.00 0.00 O ATOM 345 CB SER A 86 -2.755 8.614 -2.060 1.00 0.00 C ATOM 346 OG SER A 86 -1.386 8.380 -1.784 1.00 0.00 O ATOM 0 H SER A 86 -2.390 5.954 -1.991 1.00 0.00 H new ATOM 0 HA SER A 86 -4.347 7.783 -3.256 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.875 9.598 -2.514 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.321 8.621 -1.129 1.00 0.00 H new ATOM 0 HG SER A 86 -1.049 9.079 -1.185 1.00 0.00 H new ATOM 352 N LYS A 87 -2.261 8.684 -4.843 1.00 0.00 N ATOM 353 CA LYS A 87 -1.499 8.829 -6.076 1.00 0.00 C ATOM 354 C LYS A 87 0.001 8.706 -5.800 1.00 0.00 C ATOM 355 O LYS A 87 0.732 8.042 -6.534 1.00 0.00 O ATOM 356 CB LYS A 87 -1.821 10.178 -6.727 1.00 0.00 C ATOM 357 CG LYS A 87 -3.277 10.612 -6.564 1.00 0.00 C ATOM 358 CD LYS A 87 -4.067 10.465 -7.852 1.00 0.00 C ATOM 359 CE LYS A 87 -4.072 11.758 -8.649 1.00 0.00 C ATOM 360 NZ LYS A 87 -4.383 12.939 -7.794 1.00 0.00 N ATOM 0 H LYS A 87 -2.581 9.568 -4.448 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.781 8.030 -6.762 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.174 10.942 -6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.585 10.123 -7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.747 10.016 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.310 11.651 -6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.637 9.666 -8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.092 10.174 -7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.099 11.897 -9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.807 11.687 -9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.910 13.642 -8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.959 12.638 -6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.497 13.362 -7.451 1.00 0.00 H new ATOM 374 N ARG A 88 0.445 9.371 -4.736 1.00 0.00 N ATOM 375 CA ARG A 88 1.848 9.347 -4.325 1.00 0.00 C ATOM 376 C ARG A 88 2.327 7.914 -4.151 1.00 0.00 C ATOM 377 O ARG A 88 3.431 7.562 -4.565 1.00 0.00 O ATOM 378 CB ARG A 88 2.002 10.128 -3.012 1.00 0.00 C ATOM 379 CG ARG A 88 3.326 9.910 -2.290 1.00 0.00 C ATOM 380 CD ARG A 88 3.154 9.076 -1.025 1.00 0.00 C ATOM 381 NE ARG A 88 2.162 9.649 -0.111 1.00 0.00 N ATOM 382 CZ ARG A 88 2.152 9.444 1.206 1.00 0.00 C ATOM 383 NH1 ARG A 88 3.098 8.713 1.783 1.00 0.00 N ATOM 384 NH2 ARG A 88 1.193 9.978 1.952 1.00 0.00 N ATOM 0 H ARG A 88 -0.154 9.939 -4.137 1.00 0.00 H new ATOM 0 HA ARG A 88 2.459 9.815 -5.097 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.890 11.192 -3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.189 9.849 -2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.027 9.413 -2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.762 10.875 -2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.852 8.065 -1.298 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.113 8.995 -0.513 1.00 0.00 H new ATOM 0 HE ARG A 88 1.433 10.242 -0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.841 8.302 1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.082 8.562 2.792 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.465 10.545 1.517 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.184 9.822 2.960 1.00 0.00 H new ATOM 398 N ILE A 89 1.491 7.091 -3.532 1.00 0.00 N ATOM 399 CA ILE A 89 1.827 5.694 -3.318 1.00 0.00 C ATOM 400 C ILE A 89 1.933 4.969 -4.655 1.00 0.00 C ATOM 401 O ILE A 89 2.834 4.157 -4.860 1.00 0.00 O ATOM 402 CB ILE A 89 0.788 5.001 -2.412 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.794 5.655 -1.027 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.071 3.510 -2.297 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.111 4.970 -0.027 1.00 0.00 C ATOM 0 H ILE A 89 0.578 7.368 -3.171 1.00 0.00 H new ATOM 0 HA ILE A 89 2.792 5.651 -2.813 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.198 5.119 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.813 5.656 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.489 6.697 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.324 3.046 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.030 3.055 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.062 3.360 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.054 5.489 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.138 4.992 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.206 3.935 0.102 1.00 0.00 H new ATOM 417 N GLN A 90 1.012 5.271 -5.567 1.00 0.00 N ATOM 418 CA GLN A 90 1.031 4.663 -6.892 1.00 0.00 C ATOM 419 C GLN A 90 2.342 4.997 -7.583 1.00 0.00 C ATOM 420 O GLN A 90 3.052 4.119 -8.074 1.00 0.00 O ATOM 421 CB GLN A 90 -0.132 5.180 -7.740 1.00 0.00 C ATOM 422 CG GLN A 90 -0.096 4.677 -9.174 1.00 0.00 C ATOM 423 CD GLN A 90 -0.076 5.802 -10.193 1.00 0.00 C ATOM 424 OE1 GLN A 90 0.622 5.725 -11.203 1.00 0.00 O ATOM 425 NE2 GLN A 90 -0.858 6.845 -9.942 1.00 0.00 N ATOM 0 H GLN A 90 0.248 5.929 -5.413 1.00 0.00 H new ATOM 0 HA GLN A 90 0.932 3.583 -6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.072 4.877 -7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.115 6.270 -7.743 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.786 4.052 -9.313 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.966 4.045 -9.354 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.421 6.868 -9.092 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.896 7.624 -10.600 1.00 0.00 H new ATOM 434 N LYS A 91 2.648 6.284 -7.603 1.00 0.00 N ATOM 435 CA LYS A 91 3.866 6.784 -8.203 1.00 0.00 C ATOM 436 C LYS A 91 5.079 6.135 -7.544 1.00 0.00 C ATOM 437 O LYS A 91 6.014 5.702 -8.221 1.00 0.00 O ATOM 438 CB LYS A 91 3.892 8.303 -8.045 1.00 0.00 C ATOM 439 CG LYS A 91 3.499 9.049 -9.311 1.00 0.00 C ATOM 440 CD LYS A 91 4.669 9.808 -9.914 1.00 0.00 C ATOM 441 CE LYS A 91 4.195 10.792 -10.971 1.00 0.00 C ATOM 442 NZ LYS A 91 3.063 11.628 -10.483 1.00 0.00 N ATOM 0 H LYS A 91 2.055 7.010 -7.202 1.00 0.00 H new ATOM 0 HA LYS A 91 3.899 6.535 -9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.216 8.589 -7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.893 8.613 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.111 8.341 -10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.693 9.747 -9.085 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.204 10.342 -9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.374 9.104 -10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.023 11.437 -11.264 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.886 10.246 -11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.081 12.551 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.163 11.149 -10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.153 11.769 -9.457 1.00 0.00 H new ATOM 456 N SER A 92 5.049 6.060 -6.218 1.00 0.00 N ATOM 457 CA SER A 92 6.131 5.445 -5.461 1.00 0.00 C ATOM 458 C SER A 92 6.357 4.016 -5.941 1.00 0.00 C ATOM 459 O SER A 92 7.492 3.595 -6.163 1.00 0.00 O ATOM 460 CB SER A 92 5.801 5.454 -3.966 1.00 0.00 C ATOM 461 OG SER A 92 6.786 4.760 -3.220 1.00 0.00 O ATOM 0 H SER A 92 4.285 6.418 -5.645 1.00 0.00 H new ATOM 0 HA SER A 92 7.044 6.019 -5.621 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.731 6.483 -3.612 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.826 4.994 -3.803 1.00 0.00 H new ATOM 0 HG SER A 92 7.674 4.964 -3.581 1.00 0.00 H new ATOM 467 N ILE A 93 5.264 3.274 -6.100 1.00 0.00 N ATOM 468 CA ILE A 93 5.333 1.896 -6.571 1.00 0.00 C ATOM 469 C ILE A 93 5.950 1.843 -7.967 1.00 0.00 C ATOM 470 O ILE A 93 6.870 1.067 -8.222 1.00 0.00 O ATOM 471 CB ILE A 93 3.929 1.243 -6.602 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.365 1.126 -5.185 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.975 -0.129 -7.265 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.908 0.714 -5.148 1.00 0.00 C ATOM 0 H ILE A 93 4.319 3.606 -5.909 1.00 0.00 H new ATOM 0 HA ILE A 93 5.960 1.339 -5.875 1.00 0.00 H new ATOM 0 HB ILE A 93 3.274 1.883 -7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.954 0.399 -4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.477 2.084 -4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.975 -0.563 -7.272 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.334 -0.026 -8.289 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.649 -0.780 -6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.574 0.651 -4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.307 1.453 -5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.793 -0.259 -5.627 1.00 0.00 H new ATOM 486 N SER A 94 5.435 2.680 -8.863 1.00 0.00 N ATOM 487 CA SER A 94 5.926 2.732 -10.235 1.00 0.00 C ATOM 488 C SER A 94 7.444 2.871 -10.272 1.00 0.00 C ATOM 489 O SER A 94 8.118 2.186 -11.040 1.00 0.00 O ATOM 490 CB SER A 94 5.277 3.895 -10.987 1.00 0.00 C ATOM 491 OG SER A 94 4.480 3.425 -12.060 1.00 0.00 O ATOM 0 H SER A 94 4.677 3.332 -8.662 1.00 0.00 H new ATOM 0 HA SER A 94 5.657 1.795 -10.723 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.662 4.478 -10.301 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.050 4.562 -11.369 1.00 0.00 H new ATOM 0 HG SER A 94 4.074 4.187 -12.524 1.00 0.00 H new ATOM 497 N GLN A 95 7.977 3.762 -9.443 1.00 0.00 N ATOM 498 CA GLN A 95 9.418 3.977 -9.387 1.00 0.00 C ATOM 499 C GLN A 95 10.122 2.698 -8.952 1.00 0.00 C ATOM 500 O GLN A 95 11.106 2.280 -9.563 1.00 0.00 O ATOM 501 CB GLN A 95 9.748 5.124 -8.429 1.00 0.00 C ATOM 502 CG GLN A 95 10.638 6.199 -9.036 1.00 0.00 C ATOM 503 CD GLN A 95 10.211 6.596 -10.437 1.00 0.00 C ATOM 504 OE1 GLN A 95 9.304 7.409 -10.616 1.00 0.00 O ATOM 505 NE2 GLN A 95 10.876 6.032 -11.439 1.00 0.00 N ATOM 0 H GLN A 95 7.436 4.344 -8.804 1.00 0.00 H new ATOM 0 HA GLN A 95 9.772 4.248 -10.382 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.818 5.583 -8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.239 4.716 -7.545 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.625 7.080 -8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.667 5.840 -9.063 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.621 5.363 -11.244 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.642 6.268 -12.403 1.00 0.00 H new ATOM 514 N LYS A 96 9.611 2.078 -7.893 1.00 0.00 N ATOM 515 CA LYS A 96 10.179 0.832 -7.397 1.00 0.00 C ATOM 516 C LYS A 96 10.082 -0.240 -8.474 1.00 0.00 C ATOM 517 O LYS A 96 10.965 -1.089 -8.609 1.00 0.00 O ATOM 518 CB LYS A 96 9.427 0.354 -6.149 1.00 0.00 C ATOM 519 CG LYS A 96 9.298 1.398 -5.059 1.00 0.00 C ATOM 520 CD LYS A 96 8.093 1.119 -4.171 1.00 0.00 C ATOM 521 CE LYS A 96 8.474 0.362 -2.907 1.00 0.00 C ATOM 522 NZ LYS A 96 9.480 -0.703 -3.169 1.00 0.00 N ATOM 0 H LYS A 96 8.808 2.417 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 96 11.223 1.009 -7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.429 0.028 -6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.940 -0.517 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.204 1.410 -4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.201 2.387 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.618 2.062 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.357 0.541 -4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.872 1.062 -2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.581 -0.084 -2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.546 -1.329 -2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.191 -1.257 -4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.407 -0.268 -3.349 1.00 0.00 H new ATOM 536 N LYS A 97 9.000 -0.180 -9.246 1.00 0.00 N ATOM 537 CA LYS A 97 8.751 -1.154 -10.300 1.00 0.00 C ATOM 538 C LYS A 97 8.638 -2.545 -9.695 1.00 0.00 C ATOM 539 O LYS A 97 9.554 -3.361 -9.798 1.00 0.00 O ATOM 540 CB LYS A 97 9.851 -1.111 -11.362 1.00 0.00 C ATOM 541 CG LYS A 97 9.417 -0.429 -12.651 1.00 0.00 C ATOM 542 CD LYS A 97 9.223 -1.433 -13.779 1.00 0.00 C ATOM 543 CE LYS A 97 7.847 -1.305 -14.416 1.00 0.00 C ATOM 544 NZ LYS A 97 7.566 0.085 -14.868 1.00 0.00 N ATOM 0 H LYS A 97 8.280 0.537 -9.159 1.00 0.00 H new ATOM 0 HA LYS A 97 7.811 -0.903 -10.792 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.717 -0.589 -10.957 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.169 -2.129 -11.587 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.486 0.113 -12.481 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.166 0.307 -12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.991 -1.281 -14.538 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.353 -2.444 -13.393 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.777 -1.983 -15.266 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.086 -1.613 -13.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.878 0.064 -15.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.176 0.635 -14.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.448 0.528 -15.197 1.00 0.00 H new ATOM 558 N VAL A 98 7.506 -2.794 -9.048 1.00 0.00 N ATOM 559 CA VAL A 98 7.252 -4.071 -8.400 1.00 0.00 C ATOM 560 C VAL A 98 5.898 -4.638 -8.809 1.00 0.00 C ATOM 561 O VAL A 98 5.123 -3.981 -9.505 1.00 0.00 O ATOM 562 CB VAL A 98 7.298 -3.928 -6.868 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.719 -3.656 -6.399 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.361 -2.820 -6.411 1.00 0.00 C ATOM 0 H VAL A 98 6.745 -2.121 -8.959 1.00 0.00 H new ATOM 0 HA VAL A 98 8.035 -4.757 -8.722 1.00 0.00 H new ATOM 0 HB VAL A 98 6.966 -4.866 -6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.731 -3.558 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.365 -4.482 -6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.081 -2.732 -6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.405 -2.731 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.665 -1.877 -6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.341 -3.057 -6.715 1.00 0.00 H new ATOM 574 N LYS A 99 5.615 -5.860 -8.368 1.00 0.00 N ATOM 575 CA LYS A 99 4.355 -6.518 -8.694 1.00 0.00 C ATOM 576 C LYS A 99 3.270 -6.184 -7.677 1.00 0.00 C ATOM 577 O LYS A 99 2.768 -7.064 -6.977 1.00 0.00 O ATOM 578 CB LYS A 99 4.549 -8.031 -8.772 1.00 0.00 C ATOM 579 CG LYS A 99 5.073 -8.507 -10.117 1.00 0.00 C ATOM 580 CD LYS A 99 5.407 -9.988 -10.089 1.00 0.00 C ATOM 581 CE LYS A 99 5.581 -10.549 -11.490 1.00 0.00 C ATOM 582 NZ LYS A 99 4.355 -10.367 -12.316 1.00 0.00 N ATOM 0 H LYS A 99 6.241 -6.414 -7.784 1.00 0.00 H new ATOM 0 HA LYS A 99 4.032 -6.147 -9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.243 -8.341 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.598 -8.522 -8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.327 -8.315 -10.888 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.963 -7.937 -10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.322 -10.144 -9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.614 -10.531 -9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.423 -10.057 -11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.824 -11.610 -11.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.347 -11.067 -13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.513 -10.497 -11.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.348 -9.409 -12.720 1.00 0.00 H new ATOM 596 N ILE A 100 2.915 -4.908 -7.600 1.00 0.00 N ATOM 597 CA ILE A 100 1.877 -4.456 -6.685 1.00 0.00 C ATOM 598 C ILE A 100 0.910 -3.525 -7.406 1.00 0.00 C ATOM 599 O ILE A 100 1.264 -2.401 -7.760 1.00 0.00 O ATOM 600 CB ILE A 100 2.469 -3.736 -5.451 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.334 -4.700 -4.638 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.363 -3.153 -4.578 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.832 -4.112 -3.335 1.00 0.00 C ATOM 0 H ILE A 100 3.332 -4.166 -8.162 1.00 0.00 H new ATOM 0 HA ILE A 100 1.345 -5.340 -6.334 1.00 0.00 H new ATOM 0 HB ILE A 100 3.093 -2.915 -5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.758 -5.600 -4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.190 -5.004 -5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.805 -2.652 -3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.783 -2.435 -5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.709 -3.955 -4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.438 -4.851 -2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.435 -3.228 -3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.981 -3.833 -2.713 1.00 0.00 H new ATOM 615 N GLU A 101 -0.306 -4.004 -7.630 1.00 0.00 N ATOM 616 CA GLU A 101 -1.319 -3.209 -8.306 1.00 0.00 C ATOM 617 C GLU A 101 -2.634 -3.250 -7.546 1.00 0.00 C ATOM 618 O GLU A 101 -2.914 -4.199 -6.814 1.00 0.00 O ATOM 619 CB GLU A 101 -1.533 -3.708 -9.736 1.00 0.00 C ATOM 620 CG GLU A 101 -2.226 -5.058 -9.815 1.00 0.00 C ATOM 621 CD GLU A 101 -2.800 -5.336 -11.191 1.00 0.00 C ATOM 622 OE1 GLU A 101 -2.010 -5.611 -12.118 1.00 0.00 O ATOM 623 OE2 GLU A 101 -4.038 -5.272 -11.342 1.00 0.00 O ATOM 0 H GLU A 101 -0.613 -4.937 -7.354 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.965 -2.179 -8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.124 -2.974 -10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.567 -3.776 -10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.516 -5.843 -9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.027 -5.096 -9.076 1.00 0.00 H new ATOM 630 N LEU A 102 -3.436 -2.214 -7.727 1.00 0.00 N ATOM 631 CA LEU A 102 -4.725 -2.123 -7.062 1.00 0.00 C ATOM 632 C LEU A 102 -5.708 -3.148 -7.615 1.00 0.00 C ATOM 633 O LEU A 102 -5.739 -3.418 -8.815 1.00 0.00 O ATOM 634 CB LEU A 102 -5.304 -0.716 -7.225 1.00 0.00 C ATOM 635 CG LEU A 102 -6.790 -0.588 -6.885 1.00 0.00 C ATOM 636 CD1 LEU A 102 -7.020 -0.668 -5.386 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.351 0.694 -7.439 1.00 0.00 C ATOM 0 H LEU A 102 -3.216 -1.422 -8.331 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.569 -2.333 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.741 -0.031 -6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.153 -0.394 -8.255 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.313 -1.424 -7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.085 -0.574 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.660 -1.627 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.480 0.139 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.409 0.767 -7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.816 1.541 -7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.235 0.704 -8.523 1.00 0.00 H new ATOM 649 N ASP A 103 -6.523 -3.692 -6.725 1.00 0.00 N ATOM 650 CA ASP A 103 -7.546 -4.648 -7.110 1.00 0.00 C ATOM 651 C ASP A 103 -8.819 -3.876 -7.398 1.00 0.00 C ATOM 652 O ASP A 103 -9.279 -3.100 -6.561 1.00 0.00 O ATOM 653 CB ASP A 103 -7.793 -5.669 -6.000 1.00 0.00 C ATOM 654 CG ASP A 103 -8.859 -6.685 -6.374 1.00 0.00 C ATOM 655 OD1 ASP A 103 -8.679 -7.391 -7.390 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.873 -6.776 -5.650 1.00 0.00 O ATOM 0 H ASP A 103 -6.494 -3.486 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.219 -5.198 -7.993 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.862 -6.189 -5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.094 -5.148 -5.091 1.00 0.00 H new ATOM 661 N LYS A 104 -9.382 -4.069 -8.578 1.00 0.00 N ATOM 662 CA LYS A 104 -10.583 -3.343 -8.961 1.00 0.00 C ATOM 663 C LYS A 104 -11.857 -4.029 -8.475 1.00 0.00 C ATOM 664 O LYS A 104 -12.934 -3.433 -8.507 1.00 0.00 O ATOM 665 CB LYS A 104 -10.612 -3.161 -10.475 1.00 0.00 C ATOM 666 CG LYS A 104 -9.376 -2.457 -11.013 1.00 0.00 C ATOM 667 CD LYS A 104 -9.750 -1.295 -11.914 1.00 0.00 C ATOM 668 CE LYS A 104 -10.545 -1.767 -13.119 1.00 0.00 C ATOM 669 NZ LYS A 104 -11.308 -0.658 -13.750 1.00 0.00 N ATOM 0 H LYS A 104 -9.031 -4.717 -9.284 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.550 -2.367 -8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.703 -4.137 -10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.498 -2.588 -10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.771 -2.095 -10.182 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.763 -3.167 -11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.336 -0.569 -11.351 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.846 -0.785 -12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.867 -2.204 -13.852 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.235 -2.554 -12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.837 -1.022 -14.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.973 -0.257 -13.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.648 0.082 -14.065 1.00 0.00 H new ATOM 683 N SER A 105 -11.743 -5.273 -8.023 1.00 0.00 N ATOM 684 CA SER A 105 -12.908 -6.001 -7.529 1.00 0.00 C ATOM 685 C SER A 105 -13.307 -5.524 -6.129 1.00 0.00 C ATOM 686 O SER A 105 -14.314 -5.971 -5.581 1.00 0.00 O ATOM 687 CB SER A 105 -12.629 -7.509 -7.504 1.00 0.00 C ATOM 688 OG SER A 105 -12.219 -7.941 -6.217 1.00 0.00 O ATOM 0 H SER A 105 -10.867 -5.794 -7.988 1.00 0.00 H new ATOM 0 HA SER A 105 -13.736 -5.802 -8.210 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.527 -8.051 -7.802 1.00 0.00 H new ATOM 0 HB3 SER A 105 -11.855 -7.749 -8.233 1.00 0.00 H new ATOM 0 HG SER A 105 -11.306 -7.631 -6.043 1.00 0.00 H new ATOM 694 N ALA A 106 -12.521 -4.610 -5.557 1.00 0.00 N ATOM 695 CA ALA A 106 -12.794 -4.095 -4.222 1.00 0.00 C ATOM 696 C ALA A 106 -13.787 -2.938 -4.247 1.00 0.00 C ATOM 697 O ALA A 106 -14.211 -2.485 -5.311 1.00 0.00 O ATOM 698 CB ALA A 106 -11.497 -3.654 -3.559 1.00 0.00 C ATOM 0 H ALA A 106 -11.692 -4.214 -6.000 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.245 -4.902 -3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.710 -3.270 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.820 -4.505 -3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.031 -2.871 -4.157 1.00 0.00 H new ATOM 704 N ARG A 107 -14.160 -2.477 -3.057 1.00 0.00 N ATOM 705 CA ARG A 107 -15.095 -1.365 -2.911 1.00 0.00 C ATOM 706 C ARG A 107 -14.518 -0.253 -2.032 1.00 0.00 C ATOM 707 O ARG A 107 -15.033 0.866 -2.021 1.00 0.00 O ATOM 708 CB ARG A 107 -16.409 -1.857 -2.301 1.00 0.00 C ATOM 709 CG ARG A 107 -17.588 -1.788 -3.254 1.00 0.00 C ATOM 710 CD ARG A 107 -18.912 -1.871 -2.512 1.00 0.00 C ATOM 711 NE ARG A 107 -18.944 -2.989 -1.569 1.00 0.00 N ATOM 712 CZ ARG A 107 -20.034 -3.702 -1.284 1.00 0.00 C ATOM 713 NH1 ARG A 107 -21.203 -3.417 -1.849 1.00 0.00 N ATOM 714 NH2 ARG A 107 -19.956 -4.707 -0.422 1.00 0.00 N ATOM 0 H ARG A 107 -13.826 -2.860 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.276 -0.959 -3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -16.282 -2.887 -1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.634 -1.262 -1.416 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.545 -0.858 -3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -17.522 -2.603 -3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -19.085 -0.939 -1.975 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -19.724 -1.980 -3.231 1.00 0.00 H new ATOM 0 HE ARG A 107 -18.075 -3.240 -1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -21.275 -2.644 -2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -22.028 -3.971 -1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -19.065 -4.932 0.020 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -20.787 -5.255 -0.201 1.00 0.00 H new ATOM 728 N HIS A 108 -13.453 -0.558 -1.294 1.00 0.00 N ATOM 729 CA HIS A 108 -12.842 0.416 -0.402 1.00 0.00 C ATOM 730 C HIS A 108 -11.398 0.708 -0.792 1.00 0.00 C ATOM 731 O HIS A 108 -10.794 -0.012 -1.586 1.00 0.00 O ATOM 732 CB HIS A 108 -12.882 -0.105 1.035 1.00 0.00 C ATOM 733 CG HIS A 108 -11.973 -1.274 1.272 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.641 -1.133 1.597 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.204 -2.608 1.219 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.091 -2.326 1.731 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.019 -3.238 1.509 1.00 0.00 N ATOM 0 H HIS A 108 -12.998 -1.471 -1.298 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.410 1.343 -0.482 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.607 0.702 1.714 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -13.904 -0.394 1.280 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.145 -3.087 0.991 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.058 -2.522 1.980 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -10.879 -4.248 1.547 1.00 0.00 H new ATOM 746 N LEU A 109 -10.856 1.777 -0.220 1.00 0.00 N ATOM 747 CA LEU A 109 -9.477 2.169 -0.470 1.00 0.00 C ATOM 748 C LEU A 109 -8.715 2.238 0.847 1.00 0.00 C ATOM 749 O LEU A 109 -8.484 3.317 1.392 1.00 0.00 O ATOM 750 CB LEU A 109 -9.412 3.516 -1.191 1.00 0.00 C ATOM 751 CG LEU A 109 -9.844 3.485 -2.658 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.774 4.878 -3.264 1.00 0.00 C ATOM 753 CD2 LEU A 109 -8.976 2.516 -3.447 1.00 0.00 C ATOM 0 H LEU A 109 -11.356 2.390 0.424 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.016 1.420 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.042 4.228 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.390 3.891 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.877 3.141 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.085 4.837 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.436 5.547 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.751 5.250 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.297 2.506 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.934 2.832 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.074 1.515 -3.027 1.00 0.00 H new ATOM 765 N TYR A 110 -8.341 1.071 1.355 1.00 0.00 N ATOM 766 CA TYR A 110 -7.610 0.974 2.610 1.00 0.00 C ATOM 767 C TYR A 110 -6.597 -0.159 2.541 1.00 0.00 C ATOM 768 O TYR A 110 -6.959 -1.315 2.328 1.00 0.00 O ATOM 769 CB TYR A 110 -8.569 0.735 3.780 1.00 0.00 C ATOM 770 CG TYR A 110 -9.559 1.855 4.005 1.00 0.00 C ATOM 771 CD1 TYR A 110 -9.147 3.085 4.503 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.909 1.679 3.727 1.00 0.00 C ATOM 773 CE1 TYR A 110 -10.052 4.108 4.716 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.819 2.697 3.936 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.386 3.908 4.431 1.00 0.00 C ATOM 776 OH TYR A 110 -12.290 4.925 4.641 1.00 0.00 O ATOM 0 H TYR A 110 -8.534 0.172 0.913 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.087 1.917 2.772 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.117 -0.190 3.603 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.986 0.591 4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -8.103 3.244 4.727 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.252 0.731 3.341 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.716 5.058 5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.865 2.545 3.713 1.00 0.00 H new ATOM 0 HH TYR A 110 -13.187 4.622 4.389 1.00 0.00 H new ATOM 786 N ILE A 111 -5.329 0.180 2.717 1.00 0.00 N ATOM 787 CA ILE A 111 -4.268 -0.812 2.673 1.00 0.00 C ATOM 788 C ILE A 111 -3.838 -1.210 4.077 1.00 0.00 C ATOM 789 O ILE A 111 -4.251 -0.597 5.063 1.00 0.00 O ATOM 790 CB ILE A 111 -3.042 -0.288 1.903 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.493 0.972 2.574 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.408 -0.007 0.454 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.245 1.515 1.913 1.00 0.00 C ATOM 0 H ILE A 111 -5.011 1.133 2.891 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.667 -1.684 2.154 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.266 -1.053 1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.263 1.743 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.274 0.751 3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.531 0.363 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.758 -0.925 -0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.198 0.743 0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.912 2.408 2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.459 0.761 1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.463 1.768 0.875 1.00 0.00 H new ATOM 805 N CYS A 112 -3.009 -2.241 4.163 1.00 0.00 N ATOM 806 CA CYS A 112 -2.516 -2.715 5.447 1.00 0.00 C ATOM 807 C CYS A 112 -1.298 -1.910 5.880 1.00 0.00 C ATOM 808 O CYS A 112 -0.689 -1.207 5.073 1.00 0.00 O ATOM 809 CB CYS A 112 -2.161 -4.200 5.361 1.00 0.00 C ATOM 810 SG CYS A 112 -1.016 -4.604 4.023 1.00 0.00 S ATOM 0 H CYS A 112 -2.664 -2.765 3.358 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.303 -2.583 6.190 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.722 -4.514 6.308 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.077 -4.775 5.228 1.00 0.00 H new ATOM 815 N ASP A 113 -0.948 -2.010 7.157 1.00 0.00 N ATOM 816 CA ASP A 113 0.203 -1.293 7.687 1.00 0.00 C ATOM 817 C ASP A 113 1.485 -1.790 7.030 1.00 0.00 C ATOM 818 O ASP A 113 2.423 -1.025 6.805 1.00 0.00 O ATOM 819 CB ASP A 113 0.289 -1.476 9.204 1.00 0.00 C ATOM 820 CG ASP A 113 -0.984 -1.054 9.911 1.00 0.00 C ATOM 821 OD1 ASP A 113 -1.892 -1.899 10.054 1.00 0.00 O ATOM 822 OD2 ASP A 113 -1.071 0.122 10.324 1.00 0.00 O ATOM 0 H ASP A 113 -1.444 -2.580 7.842 1.00 0.00 H new ATOM 0 HA ASP A 113 0.082 -0.233 7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.497 -2.522 9.430 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.126 -0.894 9.590 1.00 0.00 H new ATOM 827 N TYR A 114 1.508 -3.081 6.718 1.00 0.00 N ATOM 828 CA TYR A 114 2.663 -3.708 6.088 1.00 0.00 C ATOM 829 C TYR A 114 3.062 -2.977 4.807 1.00 0.00 C ATOM 830 O TYR A 114 4.172 -2.454 4.702 1.00 0.00 O ATOM 831 CB TYR A 114 2.348 -5.173 5.777 1.00 0.00 C ATOM 832 CG TYR A 114 3.521 -5.954 5.229 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.481 -6.492 6.078 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.665 -6.161 3.863 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.550 -7.210 5.581 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.732 -6.881 3.358 1.00 0.00 C ATOM 837 CZ TYR A 114 5.671 -7.403 4.222 1.00 0.00 C ATOM 838 OH TYR A 114 6.735 -8.121 3.724 1.00 0.00 O ATOM 0 H TYR A 114 0.731 -3.719 6.893 1.00 0.00 H new ATOM 0 HA TYR A 114 3.502 -3.653 6.782 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.995 -5.659 6.687 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.531 -5.213 5.057 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.389 -6.346 7.144 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.931 -5.753 3.184 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.289 -7.619 6.255 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.829 -7.034 2.293 1.00 0.00 H new ATOM 0 HH TYR A 114 6.671 -8.165 2.747 1.00 0.00 H new ATOM 848 N HIS A 115 2.151 -2.940 3.840 1.00 0.00 N ATOM 849 CA HIS A 115 2.419 -2.284 2.564 1.00 0.00 C ATOM 850 C HIS A 115 2.638 -0.782 2.734 1.00 0.00 C ATOM 851 O HIS A 115 3.436 -0.184 2.014 1.00 0.00 O ATOM 852 CB HIS A 115 1.278 -2.547 1.577 1.00 0.00 C ATOM 853 CG HIS A 115 1.338 -3.904 0.945 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.198 -4.597 0.621 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.419 -4.643 0.594 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.604 -5.735 0.084 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.943 -5.808 0.047 1.00 0.00 N ATOM 0 H HIS A 115 1.222 -3.355 3.915 1.00 0.00 H new ATOM 0 HA HIS A 115 3.340 -2.709 2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.326 -2.438 2.097 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.303 -1.789 0.794 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -0.766 -4.295 0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.456 -4.368 0.721 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.058 -6.507 -0.279 1.00 0.00 H new ATOM 865 N LYS A 116 1.933 -0.172 3.685 1.00 0.00 N ATOM 866 CA LYS A 116 2.076 1.262 3.926 1.00 0.00 C ATOM 867 C LYS A 116 3.519 1.604 4.280 1.00 0.00 C ATOM 868 O LYS A 116 4.140 2.463 3.654 1.00 0.00 O ATOM 869 CB LYS A 116 1.156 1.715 5.062 1.00 0.00 C ATOM 870 CG LYS A 116 1.211 3.213 5.319 1.00 0.00 C ATOM 871 CD LYS A 116 0.743 3.563 6.724 1.00 0.00 C ATOM 872 CE LYS A 116 1.801 3.233 7.767 1.00 0.00 C ATOM 873 NZ LYS A 116 3.098 3.906 7.478 1.00 0.00 N ATOM 0 H LYS A 116 1.264 -0.642 4.295 1.00 0.00 H new ATOM 0 HA LYS A 116 1.796 1.783 3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.131 1.431 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.430 1.186 5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.231 3.569 5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.588 3.730 4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.502 4.625 6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.173 3.017 6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.446 3.537 8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.952 2.154 7.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.517 4.247 8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.747 3.230 7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.937 4.711 6.839 1.00 0.00 H new ATOM 887 N ASN A 117 4.043 0.917 5.287 1.00 0.00 N ATOM 888 CA ASN A 117 5.412 1.132 5.744 1.00 0.00 C ATOM 889 C ASN A 117 6.414 0.775 4.650 1.00 0.00 C ATOM 890 O ASN A 117 7.353 1.522 4.379 1.00 0.00 O ATOM 891 CB ASN A 117 5.676 0.283 6.993 1.00 0.00 C ATOM 892 CG ASN A 117 7.133 0.291 7.417 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.520 1.003 8.342 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.951 -0.500 6.731 1.00 0.00 N ATOM 0 H ASN A 117 3.537 0.200 5.807 1.00 0.00 H new ATOM 0 HA ASN A 117 5.535 2.187 5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.062 0.653 7.814 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.365 -0.744 6.800 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.943 -0.533 6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.587 -1.074 5.971 1.00 0.00 H new ATOM 901 N LEU A 118 6.199 -0.375 4.029 1.00 0.00 N ATOM 902 CA LEU A 118 7.079 -0.867 2.976 1.00 0.00 C ATOM 903 C LEU A 118 7.219 0.137 1.830 1.00 0.00 C ATOM 904 O LEU A 118 8.324 0.406 1.361 1.00 0.00 O ATOM 905 CB LEU A 118 6.534 -2.197 2.443 1.00 0.00 C ATOM 906 CG LEU A 118 7.563 -3.120 1.790 1.00 0.00 C ATOM 907 CD1 LEU A 118 7.001 -4.527 1.656 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.979 -2.583 0.429 1.00 0.00 C ATOM 0 H LEU A 118 5.414 -0.992 4.238 1.00 0.00 H new ATOM 0 HA LEU A 118 8.071 -1.011 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.064 -2.733 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.752 -1.983 1.715 1.00 0.00 H new ATOM 0 HG LEU A 118 8.446 -3.156 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.745 -5.173 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.752 -4.915 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.103 -4.503 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.712 -3.254 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.105 -2.516 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.419 -1.593 0.548 1.00 0.00 H new ATOM 920 N ILE A 119 6.097 0.700 1.396 1.00 0.00 N ATOM 921 CA ILE A 119 6.087 1.644 0.279 1.00 0.00 C ATOM 922 C ILE A 119 6.572 3.040 0.665 1.00 0.00 C ATOM 923 O ILE A 119 7.273 3.693 -0.109 1.00 0.00 O ATOM 924 CB ILE A 119 4.671 1.749 -0.321 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.212 0.371 -0.789 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.635 2.749 -1.468 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.763 0.324 -1.223 1.00 0.00 C ATOM 0 H ILE A 119 5.178 0.520 1.801 1.00 0.00 H new ATOM 0 HA ILE A 119 6.786 1.248 -0.458 1.00 0.00 H new ATOM 0 HB ILE A 119 3.989 2.110 0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.841 0.052 -1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.363 -0.345 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.624 2.803 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.933 3.732 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.322 2.429 -2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.511 -0.688 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.124 0.611 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.609 1.015 -2.052 1.00 0.00 H new ATOM 939 N GLN A 120 6.205 3.495 1.854 1.00 0.00 N ATOM 940 CA GLN A 120 6.583 4.831 2.307 1.00 0.00 C ATOM 941 C GLN A 120 8.072 4.971 2.612 1.00 0.00 C ATOM 942 O GLN A 120 8.678 5.998 2.303 1.00 0.00 O ATOM 943 CB GLN A 120 5.802 5.208 3.566 1.00 0.00 C ATOM 944 CG GLN A 120 4.431 5.801 3.297 1.00 0.00 C ATOM 945 CD GLN A 120 3.804 6.420 4.537 1.00 0.00 C ATOM 946 OE1 GLN A 120 2.623 6.215 4.813 1.00 0.00 O ATOM 947 NE2 GLN A 120 4.580 7.208 5.277 1.00 0.00 N ATOM 0 H GLN A 120 5.648 2.963 2.523 1.00 0.00 H new ATOM 0 HA GLN A 120 6.344 5.500 1.480 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.685 4.319 4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.388 5.924 4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.515 6.561 2.520 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.772 5.022 2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 120 5.555 7.354 5.016 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.200 7.666 6.105 1.00 0.00 H new ATOM 956 N SER A 121 8.666 3.937 3.195 1.00 0.00 N ATOM 957 CA SER A 121 10.067 4.010 3.620 1.00 0.00 C ATOM 958 C SER A 121 11.087 3.685 2.527 1.00 0.00 C ATOM 959 O SER A 121 12.173 3.192 2.828 1.00 0.00 O ATOM 960 CB SER A 121 10.291 3.096 4.821 1.00 0.00 C ATOM 961 OG SER A 121 10.914 3.802 5.882 1.00 0.00 O ATOM 0 H SER A 121 8.209 3.045 3.385 1.00 0.00 H new ATOM 0 HA SER A 121 10.239 5.054 3.883 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.337 2.691 5.158 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.911 2.249 4.528 1.00 0.00 H new ATOM 0 HG SER A 121 11.047 3.199 6.643 1.00 0.00 H new ATOM 967 N VAL A 122 10.766 3.969 1.273 1.00 0.00 N ATOM 968 CA VAL A 122 11.717 3.726 0.191 1.00 0.00 C ATOM 969 C VAL A 122 12.288 5.054 -0.311 1.00 0.00 C ATOM 970 O VAL A 122 13.359 5.097 -0.916 1.00 0.00 O ATOM 971 CB VAL A 122 11.084 2.934 -0.976 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.032 2.855 -2.167 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.705 1.535 -0.510 1.00 0.00 C ATOM 0 H VAL A 122 9.871 4.361 0.980 1.00 0.00 H new ATOM 0 HA VAL A 122 12.524 3.113 0.593 1.00 0.00 H new ATOM 0 HB VAL A 122 10.185 3.461 -1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.559 2.292 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.263 3.862 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 122 12.953 2.355 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.260 0.984 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.597 1.013 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.987 1.606 0.307 1.00 0.00 H new ATOM 983 N ARG A 123 11.546 6.130 -0.071 1.00 0.00 N ATOM 984 CA ARG A 123 11.963 7.467 -0.454 1.00 0.00 C ATOM 985 C ARG A 123 12.201 8.333 0.785 1.00 0.00 C ATOM 986 O ARG A 123 12.094 9.558 0.734 1.00 0.00 O ATOM 987 CB ARG A 123 10.882 8.075 -1.337 1.00 0.00 C ATOM 988 CG ARG A 123 10.362 7.091 -2.371 1.00 0.00 C ATOM 989 CD ARG A 123 8.964 7.443 -2.838 1.00 0.00 C ATOM 990 NE ARG A 123 7.975 7.133 -1.808 1.00 0.00 N ATOM 991 CZ ARG A 123 7.530 8.004 -0.903 1.00 0.00 C ATOM 992 NH1 ARG A 123 7.948 9.264 -0.905 1.00 0.00 N ATOM 993 NH2 ARG A 123 6.651 7.613 0.005 1.00 0.00 N ATOM 0 H ARG A 123 10.639 6.096 0.395 1.00 0.00 H new ATOM 0 HA ARG A 123 12.902 7.417 -1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 123 10.055 8.415 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 123 11.281 8.954 -1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.037 7.075 -3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 123 10.360 6.087 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 123 8.916 8.503 -3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.731 6.891 -3.749 1.00 0.00 H new ATOM 0 HE ARG A 123 7.600 6.185 -1.780 1.00 0.00 H new ATOM 0 HH11 ARG A 123 8.619 9.578 -1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 123 7.598 9.919 -0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 123 6.317 6.649 0.010 1.00 0.00 H new ATOM 0 HH22 ARG A 123 6.307 8.275 0.700 1.00 0.00 H new ATOM 1007 N ASN A 124 12.525 7.675 1.897 1.00 0.00 N ATOM 1008 CA ASN A 124 12.786 8.357 3.161 1.00 0.00 C ATOM 1009 C ASN A 124 13.338 7.365 4.178 1.00 0.00 C ATOM 1010 O ASN A 124 12.584 6.695 4.883 1.00 0.00 O ATOM 1011 CB ASN A 124 11.509 9.005 3.700 1.00 0.00 C ATOM 1012 CG ASN A 124 11.770 9.879 4.913 1.00 0.00 C ATOM 1013 OD1 ASN A 124 11.956 11.090 4.792 1.00 0.00 O ATOM 1014 ND2 ASN A 124 11.791 9.265 6.091 1.00 0.00 N ATOM 0 H ASN A 124 12.613 6.660 1.946 1.00 0.00 H new ATOM 0 HA ASN A 124 13.522 9.142 2.987 1.00 0.00 H new ATOM 0 HB2 ASN A 124 11.051 9.606 2.915 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.793 8.226 3.964 1.00 0.00 H new ATOM 0 HD21 ASN A 124 11.966 9.800 6.942 1.00 0.00 H new ATOM 0 HD22 ASN A 124 11.632 8.259 6.145 1.00 0.00 H new ATOM 1021 N ARG A 125 14.659 7.274 4.245 1.00 0.00 N ATOM 1022 CA ARG A 125 15.319 6.343 5.158 1.00 0.00 C ATOM 1023 C ARG A 125 16.764 6.768 5.413 1.00 0.00 C ATOM 1024 O ARG A 125 17.272 6.643 6.529 1.00 0.00 O ATOM 1025 CB ARG A 125 15.281 4.932 4.562 1.00 0.00 C ATOM 1026 CG ARG A 125 15.116 3.825 5.591 1.00 0.00 C ATOM 1027 CD ARG A 125 16.456 3.260 6.031 1.00 0.00 C ATOM 1028 NE ARG A 125 16.314 1.931 6.626 1.00 0.00 N ATOM 1029 CZ ARG A 125 17.126 1.438 7.560 1.00 0.00 C ATOM 1030 NH1 ARG A 125 18.150 2.152 8.010 1.00 0.00 N ATOM 1031 NH2 ARG A 125 16.914 0.222 8.043 1.00 0.00 N ATOM 0 H ARG A 125 15.298 7.833 3.679 1.00 0.00 H new ATOM 0 HA ARG A 125 14.790 6.349 6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 125 14.460 4.874 3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 125 16.202 4.760 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 125 14.582 4.212 6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 125 14.505 3.026 5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.127 3.205 5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 125 16.916 3.935 6.753 1.00 0.00 H new ATOM 0 HE ARG A 125 15.544 1.344 6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.321 3.087 7.641 1.00 0.00 H new ATOM 0 HH12 ARG A 125 18.766 1.766 8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 125 16.131 -0.334 7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 125 17.534 -0.158 8.758 1.00 0.00 H new ATOM 1045 N ARG A 126 17.425 7.254 4.367 1.00 0.00 N ATOM 1046 CA ARG A 126 18.801 7.711 4.470 1.00 0.00 C ATOM 1047 C ARG A 126 19.001 8.965 3.623 1.00 0.00 C ATOM 1048 O ARG A 126 18.086 9.399 2.924 1.00 0.00 O ATOM 1049 CB ARG A 126 19.753 6.603 4.013 1.00 0.00 C ATOM 1050 CG ARG A 126 21.074 6.582 4.765 1.00 0.00 C ATOM 1051 CD ARG A 126 21.643 5.174 4.837 1.00 0.00 C ATOM 1052 NE ARG A 126 22.915 5.128 5.564 1.00 0.00 N ATOM 1053 CZ ARG A 126 23.085 4.603 6.782 1.00 0.00 C ATOM 1054 NH1 ARG A 126 22.059 4.122 7.479 1.00 0.00 N ATOM 1055 NH2 ARG A 126 24.298 4.575 7.316 1.00 0.00 N ATOM 0 H ARG A 126 17.024 7.341 3.433 1.00 0.00 H new ATOM 0 HA ARG A 126 19.019 7.955 5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 126 19.260 5.639 4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 126 19.953 6.725 2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 126 21.788 7.241 4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 126 20.928 6.970 5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 126 20.923 4.517 5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.789 4.791 3.827 1.00 0.00 H new ATOM 0 HE ARG A 126 23.734 5.527 5.105 1.00 0.00 H new ATOM 0 HH11 ARG A 126 21.118 4.149 7.086 1.00 0.00 H new ATOM 0 HH12 ARG A 126 22.213 3.726 8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 126 25.092 4.952 6.798 1.00 0.00 H new ATOM 0 HH22 ARG A 126 24.437 4.177 8.245 1.00 0.00 H new ATOM 1069 N LYS A 127 20.189 9.553 3.700 1.00 0.00 N ATOM 1070 CA LYS A 127 20.497 10.749 2.921 1.00 0.00 C ATOM 1071 C LYS A 127 21.983 10.809 2.573 1.00 0.00 C ATOM 1072 O LYS A 127 22.515 11.874 2.254 1.00 0.00 O ATOM 1073 CB LYS A 127 20.088 12.008 3.684 1.00 0.00 C ATOM 1074 CG LYS A 127 19.926 13.231 2.794 1.00 0.00 C ATOM 1075 CD LYS A 127 18.471 13.462 2.418 1.00 0.00 C ATOM 1076 CE LYS A 127 17.617 13.729 3.647 1.00 0.00 C ATOM 1077 NZ LYS A 127 18.262 14.707 4.567 1.00 0.00 N ATOM 0 H LYS A 127 20.953 9.224 4.291 1.00 0.00 H new ATOM 0 HA LYS A 127 19.927 10.698 1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 127 19.148 11.819 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 127 20.837 12.220 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 127 20.313 14.110 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 127 20.520 13.104 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 127 18.400 14.307 1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 127 18.087 12.590 1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 127 16.643 14.109 3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 127 17.440 12.793 4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 17.556 15.069 5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 19.030 14.238 5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 18.651 15.498 4.015 1.00 0.00 H new ATOM 1091 N ARG A 128 22.647 9.659 2.638 1.00 0.00 N ATOM 1092 CA ARG A 128 24.064 9.565 2.320 1.00 0.00 C ATOM 1093 C ARG A 128 24.425 8.125 1.983 1.00 0.00 C ATOM 1094 O ARG A 128 24.083 7.199 2.718 1.00 0.00 O ATOM 1095 CB ARG A 128 24.926 10.065 3.481 1.00 0.00 C ATOM 1096 CG ARG A 128 26.417 10.014 3.188 1.00 0.00 C ATOM 1097 CD ARG A 128 26.804 10.974 2.072 1.00 0.00 C ATOM 1098 NE ARG A 128 28.072 10.600 1.448 1.00 0.00 N ATOM 1099 CZ ARG A 128 28.936 11.468 0.918 1.00 0.00 C ATOM 1100 NH1 ARG A 128 28.678 12.771 0.925 1.00 0.00 N ATOM 1101 NH2 ARG A 128 30.062 11.028 0.374 1.00 0.00 N ATOM 0 H ARG A 128 22.220 8.774 2.911 1.00 0.00 H new ATOM 0 HA ARG A 128 24.262 10.199 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 128 24.644 11.091 3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 128 24.716 9.464 4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 128 26.974 10.262 4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 128 26.699 8.999 2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 128 26.018 10.989 1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 128 26.880 11.985 2.473 1.00 0.00 H new ATOM 0 HE ARG A 128 28.312 9.609 1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 128 27.812 13.117 1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 128 29.346 13.425 0.517 1.00 0.00 H new ATOM 0 HH21 ARG A 128 30.266 10.029 0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 128 30.725 11.689 -0.032 1.00 0.00 H new ATOM 1115 N LYS A 129 25.114 7.947 0.868 1.00 0.00 N ATOM 1116 CA LYS A 129 25.515 6.615 0.416 1.00 0.00 C ATOM 1117 C LYS A 129 26.623 6.701 -0.629 1.00 0.00 C ATOM 1118 O LYS A 129 27.515 5.854 -0.678 1.00 0.00 O ATOM 1119 CB LYS A 129 24.310 5.861 -0.161 1.00 0.00 C ATOM 1120 CG LYS A 129 23.507 6.656 -1.182 1.00 0.00 C ATOM 1121 CD LYS A 129 23.364 5.896 -2.493 1.00 0.00 C ATOM 1122 CE LYS A 129 21.966 6.038 -3.076 1.00 0.00 C ATOM 1123 NZ LYS A 129 21.148 4.810 -2.866 1.00 0.00 N ATOM 0 H LYS A 129 25.410 8.706 0.255 1.00 0.00 H new ATOM 0 HA LYS A 129 25.897 6.069 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 129 24.661 4.941 -0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 129 23.651 5.572 0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 129 22.519 6.876 -0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 129 23.996 7.613 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 129 24.097 6.266 -3.210 1.00 0.00 H new ATOM 0 HD3 LYS A 129 23.584 4.841 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 129 21.466 6.890 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 129 22.037 6.248 -4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 20.203 4.948 -3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 21.612 4.001 -3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 21.058 4.623 -1.847 1.00 0.00 H new ATOM 1137 N GLY A 130 26.548 7.725 -1.466 1.00 0.00 N ATOM 1138 CA GLY A 130 27.543 7.931 -2.501 1.00 0.00 C ATOM 1139 C GLY A 130 27.511 9.343 -3.061 1.00 0.00 C ATOM 1140 O GLY A 130 28.526 9.850 -3.537 1.00 0.00 O ATOM 0 H GLY A 130 25.807 8.425 -1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 130 28.534 7.726 -2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 130 27.376 7.219 -3.309 1.00 0.00 H new ATOM 1144 N SER A 131 26.336 9.971 -3.029 1.00 0.00 N ATOM 1145 CA SER A 131 26.180 11.329 -3.517 1.00 0.00 C ATOM 1146 C SER A 131 25.162 12.089 -2.669 1.00 0.00 C ATOM 1147 O SER A 131 23.960 12.044 -3.007 1.00 0.00 O ATOM 1148 CB SER A 131 25.735 11.305 -4.980 1.00 0.00 C ATOM 1149 OG SER A 131 25.855 12.584 -5.573 1.00 0.00 O ATOM 1150 OXT SER A 131 25.574 12.717 -1.671 1.00 0.00 O ATOM 0 H SER A 131 25.478 9.554 -2.667 1.00 0.00 H new ATOM 0 HA SER A 131 27.139 11.841 -3.443 1.00 0.00 H new ATOM 0 HB2 SER A 131 26.338 10.586 -5.534 1.00 0.00 H new ATOM 0 HB3 SER A 131 24.700 10.968 -5.043 1.00 0.00 H new ATOM 0 HG SER A 131 25.565 12.539 -6.508 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.136 -5.378 1.858 1.00 0.00 ZN