USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 456 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 NoAdj-H: X 118 HIS HD1 : X 118 HIS ND1 : X 2 ZNZN :(H bumps) USER MOD NoAdj-H: X 154 HIS HD1 : X 154 HIS ND1 : X 1 ZNZN :(H bumps) USER MOD Single : X 142 GLN : amide:sc= -0.244 K(o=-0.24,f=-2.7!) USER MOD Single : X 148 ASN : amide:sc= 0.809 K(o=0.81,f=-3.9!) USER MOD Single : X 150 LYS NZ :NH3+ -168:sc= -0.0516 (180deg=-0.229) USER MOD Single : X 152 THR OG1 : rot 180:sc=-0.000709 USER MOD Single : X 153 CYS SG : rot 80:sc= -0.55 USER MOD Single : X 155 SER OG : rot 180:sc= -0.0164 USER MOD Single : X 159 SER OG : rot 180:sc= 0 USER MOD Single : X 162 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO X 108 21.897 -25.774 -3.407 1.00 0.00 N ATOM 2 CA PRO X 108 21.280 -24.464 -3.759 1.00 0.00 C ATOM 3 C PRO X 108 21.281 -23.417 -2.635 1.00 0.00 C ATOM 4 O PRO X 108 20.305 -22.701 -2.472 1.00 0.00 O ATOM 5 CB PRO X 108 19.851 -24.786 -4.184 1.00 0.00 C ATOM 6 CG PRO X 108 20.018 -26.174 -4.776 1.00 0.00 C ATOM 7 CD PRO X 108 20.981 -26.868 -3.796 1.00 0.00 C ATOM 0 HA PRO X 108 21.875 -23.998 -4.545 1.00 0.00 H new ATOM 0 HB2 PRO X 108 19.161 -24.780 -3.340 1.00 0.00 H new ATOM 0 HB3 PRO X 108 19.469 -24.072 -4.914 1.00 0.00 H new ATOM 0 HG2 PRO X 108 19.065 -26.699 -4.843 1.00 0.00 H new ATOM 0 HG3 PRO X 108 20.431 -26.134 -5.784 1.00 0.00 H new ATOM 0 HD2 PRO X 108 20.455 -27.280 -2.935 1.00 0.00 H new ATOM 0 HD3 PRO X 108 21.514 -27.693 -4.269 1.00 0.00 H new ATOM 15 N ARG X 109 22.355 -23.351 -1.844 1.00 0.00 N ATOM 16 CA ARG X 109 22.464 -22.370 -0.739 1.00 0.00 C ATOM 17 C ARG X 109 22.725 -20.954 -1.314 1.00 0.00 C ATOM 18 O ARG X 109 23.807 -20.404 -1.173 1.00 0.00 O ATOM 19 CB ARG X 109 23.561 -22.789 0.268 1.00 0.00 C ATOM 20 CG ARG X 109 23.727 -21.832 1.488 1.00 0.00 C ATOM 21 CD ARG X 109 24.857 -22.262 2.421 1.00 0.00 C ATOM 22 NE ARG X 109 24.581 -23.530 3.100 1.00 0.00 N ATOM 23 CZ ARG X 109 25.419 -24.107 3.944 1.00 0.00 C ATOM 24 NH1 ARG X 109 26.571 -23.551 4.206 1.00 0.00 N ATOM 25 NH2 ARG X 109 25.103 -25.233 4.524 1.00 0.00 N ATOM 0 H ARG X 109 23.166 -23.961 -1.941 1.00 0.00 H new ATOM 0 HA ARG X 109 21.521 -22.347 -0.193 1.00 0.00 H new ATOM 0 HB2 ARG X 109 23.333 -23.789 0.637 1.00 0.00 H new ATOM 0 HB3 ARG X 109 24.513 -22.852 -0.259 1.00 0.00 H new ATOM 0 HG2 ARG X 109 23.922 -20.822 1.129 1.00 0.00 H new ATOM 0 HG3 ARG X 109 22.792 -21.797 2.047 1.00 0.00 H new ATOM 0 HD2 ARG X 109 25.779 -22.355 1.848 1.00 0.00 H new ATOM 0 HD3 ARG X 109 25.022 -21.484 3.167 1.00 0.00 H new ATOM 0 HE ARG X 109 23.692 -23.994 2.911 1.00 0.00 H new ATOM 0 HH11 ARG X 109 26.825 -22.670 3.759 1.00 0.00 H new ATOM 0 HH12 ARG X 109 27.216 -23.998 4.857 1.00 0.00 H new ATOM 0 HH21 ARG X 109 24.204 -25.674 4.327 1.00 0.00 H new ATOM 0 HH22 ARG X 109 25.755 -25.672 5.174 1.00 0.00 H new ATOM 39 N VAL X 110 21.754 -20.406 -2.019 1.00 0.00 N ATOM 40 CA VAL X 110 21.885 -19.080 -2.622 1.00 0.00 C ATOM 41 C VAL X 110 21.881 -18.044 -1.503 1.00 0.00 C ATOM 42 O VAL X 110 20.976 -18.043 -0.677 1.00 0.00 O ATOM 43 CB VAL X 110 20.725 -18.774 -3.606 1.00 0.00 C ATOM 44 CG1 VAL X 110 20.898 -17.395 -4.226 1.00 0.00 C ATOM 45 CG2 VAL X 110 20.689 -19.815 -4.714 1.00 0.00 C ATOM 0 H VAL X 110 20.856 -20.858 -2.193 1.00 0.00 H new ATOM 0 HA VAL X 110 22.815 -19.047 -3.189 1.00 0.00 H new ATOM 0 HB VAL X 110 19.790 -18.801 -3.046 1.00 0.00 H new ATOM 0 HG11 VAL X 110 20.075 -17.199 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL X 110 20.902 -16.640 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL X 110 21.842 -17.357 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL X 110 19.871 -19.590 -5.398 1.00 0.00 H new ATOM 0 HG22 VAL X 110 21.633 -19.799 -5.259 1.00 0.00 H new ATOM 0 HG23 VAL X 110 20.537 -20.803 -4.280 1.00 0.00 H new ATOM 55 N LEU X 111 22.906 -17.198 -1.464 1.00 0.00 N ATOM 56 CA LEU X 111 23.060 -16.124 -0.459 1.00 0.00 C ATOM 57 C LEU X 111 22.034 -14.974 -0.627 1.00 0.00 C ATOM 58 O LEU X 111 22.374 -13.804 -0.538 1.00 0.00 O ATOM 59 CB LEU X 111 24.502 -15.563 -0.484 1.00 0.00 C ATOM 60 CG LEU X 111 25.085 -14.850 -1.729 1.00 0.00 C ATOM 61 CD1 LEU X 111 26.524 -14.515 -1.414 1.00 0.00 C ATOM 62 CD2 LEU X 111 25.068 -15.675 -3.011 1.00 0.00 C ATOM 0 H LEU X 111 23.672 -17.231 -2.137 1.00 0.00 H new ATOM 0 HA LEU X 111 22.860 -16.580 0.511 1.00 0.00 H new ATOM 0 HB2 LEU X 111 24.580 -14.860 0.346 1.00 0.00 H new ATOM 0 HB3 LEU X 111 25.167 -16.397 -0.259 1.00 0.00 H new ATOM 0 HG LEU X 111 24.455 -13.981 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU X 111 26.975 -14.009 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU X 111 26.563 -13.861 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU X 111 27.074 -15.433 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU X 111 25.496 -15.091 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU X 111 25.655 -16.582 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU X 111 24.041 -15.943 -3.258 1.00 0.00 H new ATOM 74 N ALA X 112 20.792 -15.345 -0.893 1.00 0.00 N ATOM 75 CA ALA X 112 19.651 -14.448 -1.106 1.00 0.00 C ATOM 76 C ALA X 112 19.188 -13.619 0.118 1.00 0.00 C ATOM 77 O ALA X 112 17.994 -13.501 0.372 1.00 0.00 O ATOM 78 CB ALA X 112 18.499 -15.292 -1.618 1.00 0.00 C ATOM 0 H ALA X 112 20.532 -16.328 -0.972 1.00 0.00 H new ATOM 0 HA ALA X 112 19.985 -13.694 -1.819 1.00 0.00 H new ATOM 0 HB1 ALA X 112 17.630 -14.657 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA X 112 18.787 -15.771 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA X 112 18.251 -16.055 -0.880 1.00 0.00 H new ATOM 84 N GLU X 113 20.133 -13.096 0.884 1.00 0.00 N ATOM 85 CA GLU X 113 19.852 -12.278 2.070 1.00 0.00 C ATOM 86 C GLU X 113 19.073 -10.990 1.669 1.00 0.00 C ATOM 87 O GLU X 113 17.840 -10.959 1.696 1.00 0.00 O ATOM 88 CB GLU X 113 21.186 -11.985 2.780 1.00 0.00 C ATOM 89 CG GLU X 113 21.071 -11.183 4.064 1.00 0.00 C ATOM 90 CD GLU X 113 22.420 -10.940 4.726 1.00 0.00 C ATOM 91 OE1 GLU X 113 23.434 -11.416 4.170 1.00 0.00 O ATOM 92 OE2 GLU X 113 22.429 -10.206 5.736 1.00 0.00 O ATOM 0 H GLU X 113 21.129 -13.225 0.704 1.00 0.00 H new ATOM 0 HA GLU X 113 19.207 -12.810 2.769 1.00 0.00 H new ATOM 0 HB2 GLU X 113 21.676 -12.933 3.005 1.00 0.00 H new ATOM 0 HB3 GLU X 113 21.836 -11.446 2.090 1.00 0.00 H new ATOM 0 HG2 GLU X 113 20.599 -10.225 3.848 1.00 0.00 H new ATOM 0 HG3 GLU X 113 20.419 -11.710 4.760 1.00 0.00 H new ATOM 99 N ARG X 114 19.787 -9.929 1.302 1.00 0.00 N ATOM 100 CA ARG X 114 19.153 -8.662 0.891 1.00 0.00 C ATOM 101 C ARG X 114 19.658 -8.286 -0.501 1.00 0.00 C ATOM 102 O ARG X 114 20.644 -8.837 -0.964 1.00 0.00 O ATOM 103 CB ARG X 114 19.517 -7.528 1.862 1.00 0.00 C ATOM 104 CG ARG X 114 19.025 -7.736 3.300 1.00 0.00 C ATOM 105 CD ARG X 114 19.320 -6.531 4.179 1.00 0.00 C ATOM 106 NE ARG X 114 18.551 -5.346 3.789 1.00 0.00 N ATOM 107 CZ ARG X 114 18.705 -4.159 4.350 1.00 0.00 C ATOM 108 NH1 ARG X 114 19.589 -4.002 5.296 1.00 0.00 N ATOM 109 NH2 ARG X 114 17.990 -3.138 3.977 1.00 0.00 N ATOM 0 H ARG X 114 20.807 -9.913 1.278 1.00 0.00 H new ATOM 0 HA ARG X 114 18.071 -8.798 0.892 1.00 0.00 H new ATOM 0 HB2 ARG X 114 20.601 -7.413 1.876 1.00 0.00 H new ATOM 0 HB3 ARG X 114 19.102 -6.595 1.482 1.00 0.00 H new ATOM 0 HG2 ARG X 114 17.952 -7.926 3.293 1.00 0.00 H new ATOM 0 HG3 ARG X 114 19.503 -8.620 3.723 1.00 0.00 H new ATOM 0 HD2 ARG X 114 19.096 -6.779 5.216 1.00 0.00 H new ATOM 0 HD3 ARG X 114 20.384 -6.301 4.129 1.00 0.00 H new ATOM 0 HE ARG X 114 17.860 -5.442 3.045 1.00 0.00 H new ATOM 0 HH11 ARG X 114 20.157 -4.793 5.599 1.00 0.00 H new ATOM 0 HH12 ARG X 114 19.712 -3.088 5.732 1.00 0.00 H new ATOM 0 HH21 ARG X 114 17.295 -3.245 3.238 1.00 0.00 H new ATOM 0 HH22 ARG X 114 18.125 -2.231 4.423 1.00 0.00 H new ATOM 123 N GLY X 115 19.002 -7.335 -1.153 1.00 0.00 N ATOM 124 CA GLY X 115 19.436 -6.885 -2.476 1.00 0.00 C ATOM 125 C GLY X 115 19.159 -7.835 -3.631 1.00 0.00 C ATOM 126 O GLY X 115 19.604 -7.609 -4.745 1.00 0.00 O ATOM 0 H GLY X 115 18.173 -6.861 -0.794 1.00 0.00 H new ATOM 0 HA2 GLY X 115 18.950 -5.933 -2.691 1.00 0.00 H new ATOM 0 HA3 GLY X 115 20.509 -6.694 -2.439 1.00 0.00 H new ATOM 130 N GLU X 116 18.419 -8.895 -3.354 1.00 0.00 N ATOM 131 CA GLU X 116 18.048 -9.906 -4.357 1.00 0.00 C ATOM 132 C GLU X 116 17.059 -9.322 -5.380 1.00 0.00 C ATOM 133 O GLU X 116 16.811 -9.887 -6.444 1.00 0.00 O ATOM 134 CB GLU X 116 17.378 -11.062 -3.589 1.00 0.00 C ATOM 135 CG GLU X 116 16.847 -12.247 -4.411 1.00 0.00 C ATOM 136 CD GLU X 116 16.176 -13.294 -3.521 1.00 0.00 C ATOM 137 OE1 GLU X 116 15.984 -12.989 -2.323 1.00 0.00 O ATOM 138 OE2 GLU X 116 15.833 -14.385 -4.032 1.00 0.00 O ATOM 0 H GLU X 116 18.051 -9.089 -2.423 1.00 0.00 H new ATOM 0 HA GLU X 116 18.928 -10.243 -4.905 1.00 0.00 H new ATOM 0 HB2 GLU X 116 18.098 -11.449 -2.868 1.00 0.00 H new ATOM 0 HB3 GLU X 116 16.546 -10.649 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU X 116 16.133 -11.886 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU X 116 17.669 -12.708 -4.959 1.00 0.00 H new ATOM 145 N GLY X 117 16.496 -8.177 -5.025 1.00 0.00 N ATOM 146 CA GLY X 117 15.483 -7.528 -5.839 1.00 0.00 C ATOM 147 C GLY X 117 14.282 -7.995 -5.049 1.00 0.00 C ATOM 148 O GLY X 117 14.420 -8.984 -4.358 1.00 0.00 O ATOM 0 H GLY X 117 16.728 -7.674 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY X 117 15.584 -6.443 -5.866 1.00 0.00 H new ATOM 0 HA3 GLY X 117 15.477 -7.873 -6.873 1.00 0.00 H new ATOM 152 N HIS X 118 13.137 -7.331 -5.061 1.00 0.00 N ATOM 153 CA HIS X 118 12.031 -7.834 -4.233 1.00 0.00 C ATOM 154 C HIS X 118 11.558 -9.256 -4.519 1.00 0.00 C ATOM 155 O HIS X 118 10.810 -9.494 -5.465 1.00 0.00 O ATOM 156 CB HIS X 118 10.806 -6.940 -4.258 1.00 0.00 C ATOM 157 CG HIS X 118 11.036 -5.547 -3.777 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.898 -5.215 -2.732 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.441 -4.390 -4.186 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.792 -3.868 -2.583 1.00 0.00 C ATOM 161 NE2 HIS X 118 10.940 -3.368 -3.455 1.00 0.00 N ATOM 0 H HIS X 118 12.944 -6.487 -5.600 1.00 0.00 H new ATOM 0 HA HIS X 118 12.500 -7.833 -3.249 1.00 0.00 H new ATOM 0 HB2 HIS X 118 10.425 -6.898 -5.278 1.00 0.00 H new ATOM 0 HB3 HIS X 118 10.028 -7.397 -3.646 1.00 0.00 H new ATOM 0 HD2 HIS X 118 9.696 -4.305 -4.963 1.00 0.00 H new ATOM 0 HE1 HIS X 118 12.332 -3.287 -1.850 1.00 0.00 H new ATOM 0 HE2 HIS X 118 10.699 -2.382 -3.560 1.00 0.00 H new ATOM 169 N ARG X 119 11.975 -10.199 -3.682 1.00 0.00 N ATOM 170 CA ARG X 119 11.577 -11.594 -3.841 1.00 0.00 C ATOM 171 C ARG X 119 10.068 -11.787 -3.672 1.00 0.00 C ATOM 172 O ARG X 119 9.479 -12.601 -4.369 1.00 0.00 O ATOM 173 CB ARG X 119 12.414 -12.511 -2.929 1.00 0.00 C ATOM 174 CG ARG X 119 12.233 -12.336 -1.400 1.00 0.00 C ATOM 175 CD ARG X 119 13.247 -13.183 -0.666 1.00 0.00 C ATOM 176 NE ARG X 119 13.119 -14.611 -0.923 1.00 0.00 N ATOM 177 CZ ARG X 119 14.094 -15.476 -0.709 1.00 0.00 C ATOM 178 NH1 ARG X 119 15.246 -15.070 -0.255 1.00 0.00 N ATOM 179 NH2 ARG X 119 13.910 -16.745 -0.949 1.00 0.00 N ATOM 0 H ARG X 119 12.589 -10.024 -2.886 1.00 0.00 H new ATOM 0 HA ARG X 119 11.792 -11.891 -4.868 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.180 -13.545 -3.182 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.467 -12.355 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.355 -11.288 -1.127 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.224 -12.626 -1.108 1.00 0.00 H new ATOM 0 HD2 ARG X 119 14.249 -12.861 -0.950 1.00 0.00 H new ATOM 0 HD3 ARG X 119 13.147 -13.006 0.405 1.00 0.00 H new ATOM 0 HE ARG X 119 12.232 -14.960 -1.286 1.00 0.00 H new ATOM 0 HH11 ARG X 119 15.398 -14.080 -0.063 1.00 0.00 H new ATOM 0 HH12 ARG X 119 15.995 -15.742 -0.092 1.00 0.00 H new ATOM 0 HH21 ARG X 119 13.011 -17.072 -1.303 1.00 0.00 H new ATOM 0 HH22 ARG X 119 14.665 -17.410 -0.783 1.00 0.00 H new ATOM 193 N PHE X 120 9.460 -11.051 -2.744 1.00 0.00 N ATOM 194 CA PHE X 120 8.004 -11.133 -2.499 1.00 0.00 C ATOM 195 C PHE X 120 7.546 -12.575 -2.249 1.00 0.00 C ATOM 196 O PHE X 120 6.717 -13.114 -2.975 1.00 0.00 O ATOM 197 CB PHE X 120 7.174 -10.530 -3.633 1.00 0.00 C ATOM 198 CG PHE X 120 7.276 -9.041 -3.772 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.847 -8.213 -2.744 1.00 0.00 C ATOM 200 CD2 PHE X 120 7.720 -8.466 -4.948 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.880 -6.841 -2.882 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.738 -7.088 -5.093 1.00 0.00 C ATOM 203 CZ PHE X 120 7.323 -6.278 -4.056 1.00 0.00 C ATOM 0 H PHE X 120 9.947 -10.386 -2.143 1.00 0.00 H new ATOM 0 HA PHE X 120 7.831 -10.541 -1.600 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.482 -10.989 -4.572 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.128 -10.794 -3.477 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.483 -8.648 -1.825 1.00 0.00 H new ATOM 0 HD2 PHE X 120 8.055 -9.095 -5.759 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.558 -6.209 -2.068 1.00 0.00 H new ATOM 0 HE2 PHE X 120 8.077 -6.648 -6.019 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.346 -5.204 -4.166 1.00 0.00 H new ATOM 213 N VAL X 121 8.103 -13.212 -1.241 1.00 0.00 N ATOM 214 CA VAL X 121 7.730 -14.609 -0.942 1.00 0.00 C ATOM 215 C VAL X 121 6.365 -14.760 -0.277 1.00 0.00 C ATOM 216 O VAL X 121 6.133 -14.297 0.831 1.00 0.00 O ATOM 217 CB VAL X 121 8.813 -15.398 -0.154 1.00 0.00 C ATOM 218 CG1 VAL X 121 9.962 -15.734 -1.077 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.360 -14.612 1.027 1.00 0.00 C ATOM 0 H VAL X 121 8.803 -12.810 -0.617 1.00 0.00 H new ATOM 0 HA VAL X 121 7.657 -15.062 -1.930 1.00 0.00 H new ATOM 0 HB VAL X 121 8.337 -16.301 0.229 1.00 0.00 H new ATOM 0 HG11 VAL X 121 10.722 -16.287 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL X 121 9.598 -16.344 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.396 -14.814 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL X 121 10.113 -15.208 1.543 1.00 0.00 H new ATOM 0 HG22 VAL X 121 9.812 -13.686 0.670 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.548 -14.377 1.715 1.00 0.00 H new ATOM 229 N GLU X 122 5.457 -15.403 -0.993 1.00 0.00 N ATOM 230 CA GLU X 122 4.096 -15.636 -0.535 1.00 0.00 C ATOM 231 C GLU X 122 3.954 -16.289 0.848 1.00 0.00 C ATOM 232 O GLU X 122 4.632 -17.259 1.185 1.00 0.00 O ATOM 233 CB GLU X 122 3.396 -16.544 -1.559 1.00 0.00 C ATOM 234 CG GLU X 122 1.932 -16.829 -1.258 1.00 0.00 C ATOM 235 CD GLU X 122 1.287 -17.697 -2.324 1.00 0.00 C ATOM 236 OE1 GLU X 122 1.804 -18.804 -2.565 1.00 0.00 O ATOM 237 OE2 GLU X 122 0.244 -17.258 -2.861 1.00 0.00 O ATOM 0 H GLU X 122 5.646 -15.783 -1.921 1.00 0.00 H new ATOM 0 HA GLU X 122 3.648 -14.647 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU X 122 3.467 -16.081 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU X 122 3.933 -17.491 -1.612 1.00 0.00 H new ATOM 0 HG2 GLU X 122 1.851 -17.324 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU X 122 1.389 -15.887 -1.180 1.00 0.00 H new ATOM 244 N LEU X 123 3.042 -15.738 1.635 1.00 0.00 N ATOM 245 CA LEU X 123 2.725 -16.203 2.958 1.00 0.00 C ATOM 246 C LEU X 123 1.423 -16.992 2.827 1.00 0.00 C ATOM 247 O LEU X 123 0.332 -16.434 2.936 1.00 0.00 O ATOM 248 CB LEU X 123 2.569 -14.984 3.875 1.00 0.00 C ATOM 249 CG LEU X 123 2.045 -15.239 5.281 1.00 0.00 C ATOM 250 CD1 LEU X 123 2.935 -16.189 6.051 1.00 0.00 C ATOM 251 CD2 LEU X 123 1.957 -13.919 6.014 1.00 0.00 C ATOM 0 H LEU X 123 2.489 -14.929 1.352 1.00 0.00 H new ATOM 0 HA LEU X 123 3.499 -16.838 3.389 1.00 0.00 H new ATOM 0 HB2 LEU X 123 3.540 -14.497 3.959 1.00 0.00 H new ATOM 0 HB3 LEU X 123 1.899 -14.277 3.387 1.00 0.00 H new ATOM 0 HG LEU X 123 1.062 -15.702 5.202 1.00 0.00 H new ATOM 0 HD11 LEU X 123 2.525 -16.344 7.049 1.00 0.00 H new ATOM 0 HD12 LEU X 123 2.987 -17.144 5.528 1.00 0.00 H new ATOM 0 HD13 LEU X 123 3.936 -15.765 6.132 1.00 0.00 H new ATOM 0 HD21 LEU X 123 1.583 -14.088 7.024 1.00 0.00 H new ATOM 0 HD22 LEU X 123 2.946 -13.465 6.065 1.00 0.00 H new ATOM 0 HD23 LEU X 123 1.278 -13.252 5.482 1.00 0.00 H new ATOM 263 N ALA X 124 1.541 -18.278 2.528 1.00 0.00 N ATOM 264 CA ALA X 124 0.368 -19.134 2.363 1.00 0.00 C ATOM 265 C ALA X 124 -0.541 -19.040 3.597 1.00 0.00 C ATOM 266 O ALA X 124 -0.100 -19.245 4.727 1.00 0.00 O ATOM 267 CB ALA X 124 0.803 -20.571 2.133 1.00 0.00 C ATOM 0 H ALA X 124 2.433 -18.753 2.394 1.00 0.00 H new ATOM 0 HA ALA X 124 -0.196 -18.794 1.494 1.00 0.00 H new ATOM 0 HB1 ALA X 124 -0.077 -21.202 2.011 1.00 0.00 H new ATOM 0 HB2 ALA X 124 1.417 -20.626 1.234 1.00 0.00 H new ATOM 0 HB3 ALA X 124 1.382 -20.917 2.989 1.00 0.00 H new ATOM 273 N LEU X 125 -1.810 -18.729 3.371 1.00 0.00 N ATOM 274 CA LEU X 125 -2.771 -18.593 4.462 1.00 0.00 C ATOM 275 C LEU X 125 -3.592 -19.882 4.586 1.00 0.00 C ATOM 276 O LEU X 125 -3.138 -20.968 4.216 1.00 0.00 O ATOM 277 CB LEU X 125 -3.683 -17.377 4.187 1.00 0.00 C ATOM 278 CG LEU X 125 -2.976 -16.015 4.087 1.00 0.00 C ATOM 279 CD1 LEU X 125 -4.015 -14.944 3.893 1.00 0.00 C ATOM 280 CD2 LEU X 125 -2.178 -15.698 5.336 1.00 0.00 C ATOM 0 H LEU X 125 -2.200 -18.566 2.443 1.00 0.00 H new ATOM 0 HA LEU X 125 -2.249 -18.429 5.405 1.00 0.00 H new ATOM 0 HB2 LEU X 125 -4.221 -17.554 3.256 1.00 0.00 H new ATOM 0 HB3 LEU X 125 -4.429 -17.320 4.980 1.00 0.00 H new ATOM 0 HG LEU X 125 -2.285 -16.054 3.245 1.00 0.00 H new ATOM 0 HD11 LEU X 125 -3.527 -13.972 3.821 1.00 0.00 H new ATOM 0 HD12 LEU X 125 -4.572 -15.139 2.977 1.00 0.00 H new ATOM 0 HD13 LEU X 125 -4.700 -14.944 4.741 1.00 0.00 H new ATOM 0 HD21 LEU X 125 -1.695 -14.727 5.223 1.00 0.00 H new ATOM 0 HD22 LEU X 125 -2.845 -15.673 6.198 1.00 0.00 H new ATOM 0 HD23 LEU X 125 -1.419 -16.465 5.487 1.00 0.00 H new ATOM 292 N ARG X 126 -4.817 -19.764 5.080 1.00 0.00 N ATOM 293 CA ARG X 126 -5.698 -20.927 5.232 1.00 0.00 C ATOM 294 C ARG X 126 -7.158 -20.503 5.133 1.00 0.00 C ATOM 295 O ARG X 126 -8.038 -21.107 5.720 1.00 0.00 O ATOM 296 CB ARG X 126 -5.437 -21.605 6.592 1.00 0.00 C ATOM 297 CG ARG X 126 -5.694 -23.120 6.604 1.00 0.00 C ATOM 298 CD ARG X 126 -4.485 -23.907 6.052 1.00 0.00 C ATOM 299 NE ARG X 126 -4.236 -23.661 4.630 1.00 0.00 N ATOM 300 CZ ARG X 126 -4.837 -24.290 3.637 1.00 0.00 C ATOM 301 NH1 ARG X 126 -5.723 -25.220 3.873 1.00 0.00 N ATOM 302 NH2 ARG X 126 -4.542 -23.979 2.405 1.00 0.00 N ATOM 0 H ARG X 126 -5.227 -18.881 5.383 1.00 0.00 H new ATOM 0 HA ARG X 126 -5.487 -21.636 4.431 1.00 0.00 H new ATOM 0 HB2 ARG X 126 -4.403 -21.422 6.883 1.00 0.00 H new ATOM 0 HB3 ARG X 126 -6.069 -21.135 7.346 1.00 0.00 H new ATOM 0 HG2 ARG X 126 -5.906 -23.445 7.622 1.00 0.00 H new ATOM 0 HG3 ARG X 126 -6.578 -23.344 6.007 1.00 0.00 H new ATOM 0 HD2 ARG X 126 -3.595 -23.639 6.622 1.00 0.00 H new ATOM 0 HD3 ARG X 126 -4.653 -24.973 6.206 1.00 0.00 H new ATOM 0 HE ARG X 126 -3.546 -22.950 4.388 1.00 0.00 H new ATOM 0 HH11 ARG X 126 -5.958 -25.468 4.834 1.00 0.00 H new ATOM 0 HH12 ARG X 126 -6.180 -25.698 3.096 1.00 0.00 H new ATOM 0 HH21 ARG X 126 -3.851 -23.254 2.214 1.00 0.00 H new ATOM 0 HH22 ARG X 126 -5.003 -24.461 1.633 1.00 0.00 H new ATOM 316 N GLY X 127 -7.390 -19.442 4.379 1.00 0.00 N ATOM 317 CA GLY X 127 -8.737 -18.916 4.201 1.00 0.00 C ATOM 318 C GLY X 127 -9.104 -17.932 5.298 1.00 0.00 C ATOM 319 O GLY X 127 -10.153 -17.307 5.261 1.00 0.00 O ATOM 0 H GLY X 127 -6.665 -18.927 3.880 1.00 0.00 H new ATOM 0 HA2 GLY X 127 -8.811 -18.424 3.231 1.00 0.00 H new ATOM 0 HA3 GLY X 127 -9.452 -19.739 4.196 1.00 0.00 H new ATOM 323 N GLY X 128 -8.216 -17.791 6.271 1.00 0.00 N ATOM 324 CA GLY X 128 -8.437 -16.860 7.364 1.00 0.00 C ATOM 325 C GLY X 128 -7.775 -15.541 7.019 1.00 0.00 C ATOM 326 O GLY X 128 -7.219 -15.411 5.927 1.00 0.00 O ATOM 0 H GLY X 128 -7.339 -18.308 6.325 1.00 0.00 H new ATOM 0 HA2 GLY X 128 -9.505 -16.716 7.527 1.00 0.00 H new ATOM 0 HA3 GLY X 128 -8.024 -17.259 8.290 1.00 0.00 H new ATOM 330 N PRO X 129 -7.772 -14.561 7.931 1.00 0.00 N ATOM 331 CA PRO X 129 -7.134 -13.288 7.588 1.00 0.00 C ATOM 332 C PRO X 129 -5.614 -13.312 7.582 1.00 0.00 C ATOM 333 O PRO X 129 -4.970 -14.207 8.124 1.00 0.00 O ATOM 334 CB PRO X 129 -7.591 -12.369 8.731 1.00 0.00 C ATOM 335 CG PRO X 129 -7.745 -13.298 9.881 1.00 0.00 C ATOM 336 CD PRO X 129 -8.375 -14.518 9.275 1.00 0.00 C ATOM 0 HA PRO X 129 -7.411 -12.990 6.577 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.856 -11.591 8.939 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -8.528 -11.867 8.492 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -6.784 -13.530 10.339 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -8.374 -12.868 10.661 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -8.150 -15.417 9.849 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -9.461 -14.433 9.229 1.00 0.00 H new ATOM 344 N GLY X 130 -5.056 -12.280 6.977 1.00 0.00 N ATOM 345 CA GLY X 130 -3.628 -12.088 6.899 1.00 0.00 C ATOM 346 C GLY X 130 -3.666 -10.598 6.699 1.00 0.00 C ATOM 347 O GLY X 130 -4.751 -10.111 6.395 1.00 0.00 O ATOM 0 H GLY X 130 -5.594 -11.543 6.521 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -3.102 -12.388 7.805 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -3.165 -12.623 6.070 1.00 0.00 H new ATOM 351 N TRP X 131 -2.583 -9.870 6.877 1.00 0.00 N ATOM 352 CA TRP X 131 -2.623 -8.412 6.719 1.00 0.00 C ATOM 353 C TRP X 131 -1.524 -7.843 5.814 1.00 0.00 C ATOM 354 O TRP X 131 -0.362 -8.204 5.970 1.00 0.00 O ATOM 355 CB TRP X 131 -2.539 -7.826 8.128 1.00 0.00 C ATOM 356 CG TRP X 131 -3.760 -8.249 8.927 1.00 0.00 C ATOM 357 CD1 TRP X 131 -3.898 -9.359 9.715 1.00 0.00 C ATOM 358 CD2 TRP X 131 -5.026 -7.571 8.993 1.00 0.00 C ATOM 359 NE1 TRP X 131 -5.160 -9.421 10.242 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.876 -8.340 9.819 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.525 -6.396 8.439 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -7.192 -7.968 10.084 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.827 -6.017 8.708 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.651 -6.806 9.522 1.00 0.00 C ATOM 0 H TRP X 131 -1.670 -10.248 7.128 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.547 -8.135 6.211 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.631 -8.170 8.623 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.483 -6.739 8.078 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -3.120 -10.085 9.896 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -5.509 -10.159 10.854 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.900 -5.785 7.804 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -7.829 -8.575 10.711 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -7.214 -5.101 8.286 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.667 -6.492 9.710 1.00 0.00 H new ATOM 375 N CYS X 132 -1.895 -6.962 4.886 1.00 0.00 N ATOM 376 CA CYS X 132 -0.938 -6.298 3.994 1.00 0.00 C ATOM 377 C CYS X 132 -0.371 -5.291 4.967 1.00 0.00 C ATOM 378 O CYS X 132 -1.008 -4.275 5.197 1.00 0.00 O ATOM 379 CB CYS X 132 -1.682 -5.613 2.839 1.00 0.00 C ATOM 380 SG CYS X 132 -0.684 -4.675 1.666 1.00 0.00 S ATOM 0 H CYS X 132 -2.865 -6.687 4.729 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.200 -6.938 3.510 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.226 -6.378 2.285 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.425 -4.940 3.266 1.00 0.00 H new ATOM 385 N ASP X 133 0.782 -5.566 5.559 1.00 0.00 N ATOM 386 CA ASP X 133 1.318 -4.645 6.580 1.00 0.00 C ATOM 387 C ASP X 133 1.503 -3.254 5.975 1.00 0.00 C ATOM 388 O ASP X 133 1.388 -2.239 6.651 1.00 0.00 O ATOM 389 CB ASP X 133 2.550 -5.219 7.302 1.00 0.00 C ATOM 390 CG ASP X 133 3.757 -5.313 6.429 1.00 0.00 C ATOM 391 OD1 ASP X 133 4.368 -4.246 6.298 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.260 -6.458 6.247 1.00 0.00 O ATOM 0 H ASP X 133 1.356 -6.387 5.367 1.00 0.00 H new ATOM 0 HA ASP X 133 0.592 -4.532 7.385 1.00 0.00 H new ATOM 0 HB2 ASP X 133 2.782 -4.593 8.164 1.00 0.00 H new ATOM 0 HB3 ASP X 133 2.309 -6.211 7.684 1.00 0.00 H new ATOM 397 N LEU X 134 1.722 -3.244 4.671 1.00 0.00 N ATOM 398 CA LEU X 134 1.838 -2.026 3.888 1.00 0.00 C ATOM 399 C LEU X 134 0.538 -1.190 3.965 1.00 0.00 C ATOM 400 O LEU X 134 0.565 0.002 4.258 1.00 0.00 O ATOM 401 CB LEU X 134 2.124 -2.428 2.437 1.00 0.00 C ATOM 402 CG LEU X 134 1.803 -1.403 1.349 1.00 0.00 C ATOM 403 CD1 LEU X 134 2.639 -0.151 1.478 1.00 0.00 C ATOM 404 CD2 LEU X 134 2.029 -2.032 0.003 1.00 0.00 C ATOM 0 H LEU X 134 1.826 -4.095 4.118 1.00 0.00 H new ATOM 0 HA LEU X 134 2.645 -1.409 4.282 1.00 0.00 H new ATOM 0 HB2 LEU X 134 3.181 -2.682 2.360 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.561 -3.336 2.221 1.00 0.00 H new ATOM 0 HG LEU X 134 0.760 -1.106 1.462 1.00 0.00 H new ATOM 0 HD11 LEU X 134 2.375 0.546 0.683 1.00 0.00 H new ATOM 0 HD12 LEU X 134 2.451 0.314 2.446 1.00 0.00 H new ATOM 0 HD13 LEU X 134 3.695 -0.409 1.398 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.802 -1.308 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU X 134 3.070 -2.345 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.379 -2.900 -0.107 1.00 0.00 H new ATOM 416 N CYS X 135 -0.588 -1.828 3.659 1.00 0.00 N ATOM 417 CA CYS X 135 -1.897 -1.163 3.662 1.00 0.00 C ATOM 418 C CYS X 135 -2.620 -1.067 5.008 1.00 0.00 C ATOM 419 O CYS X 135 -3.447 -0.184 5.227 1.00 0.00 O ATOM 420 CB CYS X 135 -2.846 -1.935 2.732 1.00 0.00 C ATOM 421 SG CYS X 135 -2.493 -1.788 1.006 1.00 0.00 S ATOM 0 H CYS X 135 -0.624 -2.815 3.403 1.00 0.00 H new ATOM 0 HA CYS X 135 -1.670 -0.143 3.351 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -2.817 -2.990 3.004 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -3.864 -1.588 2.909 1.00 0.00 H new ATOM 426 N GLY X 136 -2.366 -2.040 5.860 1.00 0.00 N ATOM 427 CA GLY X 136 -3.034 -2.137 7.145 1.00 0.00 C ATOM 428 C GLY X 136 -4.338 -2.898 6.934 1.00 0.00 C ATOM 429 O GLY X 136 -5.047 -3.222 7.875 1.00 0.00 O ATOM 0 H GLY X 136 -1.692 -2.785 5.683 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.402 -2.655 7.866 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.232 -1.144 7.549 1.00 0.00 H new ATOM 433 N ARG X 137 -4.642 -3.180 5.669 1.00 0.00 N ATOM 434 CA ARG X 137 -5.856 -3.894 5.262 1.00 0.00 C ATOM 435 C ARG X 137 -5.676 -5.401 5.073 1.00 0.00 C ATOM 436 O ARG X 137 -4.630 -5.864 4.619 1.00 0.00 O ATOM 437 CB ARG X 137 -6.329 -3.292 3.949 1.00 0.00 C ATOM 438 CG ARG X 137 -6.725 -1.836 4.087 1.00 0.00 C ATOM 439 CD ARG X 137 -7.135 -1.260 2.762 1.00 0.00 C ATOM 440 NE ARG X 137 -6.025 -1.132 1.814 1.00 0.00 N ATOM 441 CZ ARG X 137 -6.156 -0.697 0.576 1.00 0.00 C ATOM 442 NH1 ARG X 137 -7.331 -0.358 0.119 1.00 0.00 N ATOM 443 NH2 ARG X 137 -5.112 -0.603 -0.200 1.00 0.00 N ATOM 0 H ARG X 137 -4.045 -2.916 4.885 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.578 -3.778 6.070 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.536 -3.381 3.206 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.180 -3.863 3.577 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -7.547 -1.745 4.797 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -5.889 -1.265 4.492 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -7.907 -1.892 2.323 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -7.580 -0.278 2.923 1.00 0.00 H new ATOM 0 HE ARG X 137 -5.092 -1.396 2.132 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -8.152 -0.429 0.720 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -7.428 -0.022 -0.839 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -4.191 -0.866 0.150 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -5.217 -0.266 -1.157 1.00 0.00 H new ATOM 457 N GLU X 138 -6.715 -6.145 5.406 1.00 0.00 N ATOM 458 CA GLU X 138 -6.750 -7.606 5.290 1.00 0.00 C ATOM 459 C GLU X 138 -6.409 -8.126 3.882 1.00 0.00 C ATOM 460 O GLU X 138 -6.880 -7.601 2.872 1.00 0.00 O ATOM 461 CB GLU X 138 -8.131 -8.121 5.743 1.00 0.00 C ATOM 462 CG GLU X 138 -9.343 -7.647 4.894 1.00 0.00 C ATOM 463 CD GLU X 138 -9.797 -6.209 5.191 1.00 0.00 C ATOM 464 OE1 GLU X 138 -9.284 -5.608 6.163 1.00 0.00 O ATOM 465 OE2 GLU X 138 -10.530 -5.674 4.335 1.00 0.00 O ATOM 0 H GLU X 138 -7.580 -5.750 5.773 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.968 -7.996 5.941 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -8.111 -9.211 5.736 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -8.292 -7.812 6.776 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.084 -7.724 3.838 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -10.180 -8.323 5.067 1.00 0.00 H new ATOM 472 N VAL X 139 -5.587 -9.163 3.807 1.00 0.00 N ATOM 473 CA VAL X 139 -5.205 -9.747 2.521 1.00 0.00 C ATOM 474 C VAL X 139 -5.958 -11.023 2.145 1.00 0.00 C ATOM 475 O VAL X 139 -5.644 -12.118 2.591 1.00 0.00 O ATOM 476 CB VAL X 139 -3.678 -10.053 2.455 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.905 -8.802 2.381 1.00 0.00 C ATOM 478 CG2 VAL X 139 -3.194 -10.848 3.633 1.00 0.00 C ATOM 0 H VAL X 139 -5.170 -9.620 4.618 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.480 -8.977 1.801 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.525 -10.651 1.556 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.841 -9.034 2.336 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.194 -8.248 1.488 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -3.107 -8.197 3.265 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -2.124 -11.031 3.533 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.383 -10.291 4.550 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.723 -11.800 3.672 1.00 0.00 H new ATOM 488 N LEU X 140 -6.959 -10.883 1.291 1.00 0.00 N ATOM 489 CA LEU X 140 -7.702 -12.056 0.836 1.00 0.00 C ATOM 490 C LEU X 140 -6.720 -12.850 -0.031 1.00 0.00 C ATOM 491 O LEU X 140 -6.547 -14.056 0.115 1.00 0.00 O ATOM 492 CB LEU X 140 -8.962 -11.665 0.046 1.00 0.00 C ATOM 493 CG LEU X 140 -10.155 -11.085 0.833 1.00 0.00 C ATOM 494 CD1 LEU X 140 -9.857 -9.782 1.558 1.00 0.00 C ATOM 495 CD2 LEU X 140 -11.282 -10.850 -0.143 1.00 0.00 C ATOM 0 H LEU X 140 -7.274 -9.993 0.904 1.00 0.00 H new ATOM 0 HA LEU X 140 -8.064 -12.646 1.678 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -8.671 -10.933 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.311 -12.550 -0.487 1.00 0.00 H new ATOM 0 HG LEU X 140 -10.408 -11.809 1.607 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -10.750 -9.446 2.085 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -9.051 -9.940 2.275 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -9.556 -9.024 0.835 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -12.142 -10.439 0.386 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -10.958 -10.147 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -11.561 -11.794 -0.611 1.00 0.00 H new ATOM 507 N ARG X 141 -6.070 -12.131 -0.941 1.00 0.00 N ATOM 508 CA ARG X 141 -5.049 -12.712 -1.819 1.00 0.00 C ATOM 509 C ARG X 141 -3.896 -13.043 -0.877 1.00 0.00 C ATOM 510 O ARG X 141 -3.611 -12.246 -0.017 1.00 0.00 O ATOM 511 CB ARG X 141 -4.557 -11.705 -2.862 1.00 0.00 C ATOM 512 CG ARG X 141 -5.628 -11.165 -3.806 1.00 0.00 C ATOM 513 CD ARG X 141 -4.951 -10.282 -4.844 1.00 0.00 C ATOM 514 NE ARG X 141 -5.869 -9.633 -5.783 1.00 0.00 N ATOM 515 CZ ARG X 141 -6.414 -8.445 -5.577 1.00 0.00 C ATOM 516 NH1 ARG X 141 -6.155 -7.790 -4.484 1.00 0.00 N ATOM 517 NH2 ARG X 141 -7.197 -7.911 -6.470 1.00 0.00 N ATOM 0 H ARG X 141 -6.232 -11.135 -1.093 1.00 0.00 H new ATOM 0 HA ARG X 141 -5.439 -13.569 -2.367 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -4.097 -10.864 -2.342 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -3.776 -12.177 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -6.155 -11.986 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -6.372 -10.595 -3.250 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -4.376 -9.513 -4.328 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -4.241 -10.886 -5.409 1.00 0.00 H new ATOM 0 HE ARG X 141 -6.102 -10.125 -6.646 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -5.531 -8.192 -3.784 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -6.576 -6.874 -4.326 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -7.395 -8.409 -7.338 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -7.612 -6.995 -6.302 1.00 0.00 H new ATOM 531 N GLN X 142 -3.221 -14.167 -1.025 1.00 0.00 N ATOM 532 CA GLN X 142 -2.109 -14.486 -0.138 1.00 0.00 C ATOM 533 C GLN X 142 -0.996 -13.455 -0.327 1.00 0.00 C ATOM 534 O GLN X 142 -0.462 -13.255 -1.417 1.00 0.00 O ATOM 535 CB GLN X 142 -1.626 -15.916 -0.360 1.00 0.00 C ATOM 536 CG GLN X 142 -2.699 -16.937 0.035 1.00 0.00 C ATOM 537 CD GLN X 142 -2.267 -18.382 -0.106 1.00 0.00 C ATOM 538 OE1 GLN X 142 -2.741 -19.236 0.633 1.00 0.00 O ATOM 539 NE2 GLN X 142 -1.406 -18.672 -1.040 1.00 0.00 N ATOM 0 H GLN X 142 -3.416 -14.868 -1.739 1.00 0.00 H new ATOM 0 HA GLN X 142 -2.442 -14.434 0.899 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -1.360 -16.053 -1.408 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -0.722 -16.091 0.224 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -2.992 -16.757 1.069 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -3.584 -16.773 -0.580 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -1.033 -17.934 -1.637 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -1.105 -19.637 -1.175 1.00 0.00 H new ATOM 548 N ALA X 143 -0.715 -12.766 0.763 1.00 0.00 N ATOM 549 CA ALA X 143 0.278 -11.712 0.826 1.00 0.00 C ATOM 550 C ALA X 143 1.679 -12.140 0.433 1.00 0.00 C ATOM 551 O ALA X 143 2.167 -13.158 0.870 1.00 0.00 O ATOM 552 CB ALA X 143 0.273 -11.161 2.164 1.00 0.00 C ATOM 0 H ALA X 143 -1.185 -12.929 1.654 1.00 0.00 H new ATOM 0 HA ALA X 143 -0.002 -10.963 0.085 1.00 0.00 H new ATOM 0 HB1 ALA X 143 1.015 -10.365 2.232 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.714 -10.757 2.388 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.515 -11.945 2.881 1.00 0.00 H new ATOM 558 N LEU X 144 2.326 -11.352 -0.400 1.00 0.00 N ATOM 559 CA LEU X 144 3.670 -11.665 -0.858 1.00 0.00 C ATOM 560 C LEU X 144 4.663 -10.827 -0.054 1.00 0.00 C ATOM 561 O LEU X 144 4.536 -9.610 0.008 1.00 0.00 O ATOM 562 CB LEU X 144 3.755 -11.362 -2.332 1.00 0.00 C ATOM 563 CG LEU X 144 2.803 -12.126 -3.248 1.00 0.00 C ATOM 564 CD1 LEU X 144 3.036 -11.657 -4.635 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.022 -13.567 -3.203 1.00 0.00 C ATOM 0 H LEU X 144 1.943 -10.485 -0.777 1.00 0.00 H new ATOM 0 HA LEU X 144 3.908 -12.718 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.577 -10.296 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.775 -11.560 -2.661 1.00 0.00 H new ATOM 0 HG LEU X 144 1.782 -11.938 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU X 144 2.368 -12.186 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU X 144 2.841 -10.586 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU X 144 4.071 -11.853 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU X 144 2.319 -14.063 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.042 -13.790 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU X 144 2.869 -13.927 -2.185 1.00 0.00 H new ATOM 577 N ARG X 145 5.630 -11.475 0.585 1.00 0.00 N ATOM 578 CA ARG X 145 6.600 -10.774 1.443 1.00 0.00 C ATOM 579 C ARG X 145 7.998 -10.616 0.938 1.00 0.00 C ATOM 580 O ARG X 145 8.738 -11.585 0.879 1.00 0.00 O ATOM 581 CB ARG X 145 6.717 -11.490 2.801 1.00 0.00 C ATOM 582 CG ARG X 145 7.722 -10.782 3.758 1.00 0.00 C ATOM 583 CD ARG X 145 7.827 -11.397 5.155 1.00 0.00 C ATOM 584 NE ARG X 145 6.627 -11.203 5.974 1.00 0.00 N ATOM 585 CZ ARG X 145 6.367 -10.093 6.654 1.00 0.00 C ATOM 586 NH1 ARG X 145 7.186 -9.077 6.619 1.00 0.00 N ATOM 587 NH2 ARG X 145 5.283 -10.001 7.370 1.00 0.00 N ATOM 0 H ARG X 145 5.770 -12.484 0.530 1.00 0.00 H new ATOM 0 HA ARG X 145 6.177 -9.771 1.489 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.736 -11.530 3.274 1.00 0.00 H new ATOM 0 HB3 ARG X 145 7.036 -12.520 2.640 1.00 0.00 H new ATOM 0 HG2 ARG X 145 8.710 -10.794 3.297 1.00 0.00 H new ATOM 0 HG3 ARG X 145 7.430 -9.737 3.859 1.00 0.00 H new ATOM 0 HD2 ARG X 145 8.022 -12.465 5.059 1.00 0.00 H new ATOM 0 HD3 ARG X 145 8.683 -10.962 5.671 1.00 0.00 H new ATOM 0 HE ARG X 145 5.952 -11.966 6.024 1.00 0.00 H new ATOM 0 HH11 ARG X 145 8.040 -9.129 6.064 1.00 0.00 H new ATOM 0 HH12 ARG X 145 6.972 -8.231 7.147 1.00 0.00 H new ATOM 0 HH21 ARG X 145 4.630 -10.784 7.410 1.00 0.00 H new ATOM 0 HH22 ARG X 145 5.087 -9.146 7.891 1.00 0.00 H new ATOM 601 N CYS X 146 8.414 -9.413 0.601 1.00 0.00 N ATOM 602 CA CYS X 146 9.784 -9.254 0.189 1.00 0.00 C ATOM 603 C CYS X 146 10.636 -9.235 1.472 1.00 0.00 C ATOM 604 O CYS X 146 10.889 -8.194 2.083 1.00 0.00 O ATOM 605 CB CYS X 146 9.968 -8.045 -0.685 1.00 0.00 C ATOM 606 SG CYS X 146 11.698 -7.692 -0.881 1.00 0.00 S ATOM 0 H CYS X 146 7.847 -8.565 0.604 1.00 0.00 H new ATOM 0 HA CYS X 146 10.108 -10.082 -0.442 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.511 -8.218 -1.660 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.461 -7.187 -0.244 1.00 0.00 H new ATOM 611 N ALA X 147 11.030 -10.428 1.884 1.00 0.00 N ATOM 612 CA ALA X 147 11.826 -10.638 3.086 1.00 0.00 C ATOM 613 C ALA X 147 13.190 -9.967 2.980 1.00 0.00 C ATOM 614 O ALA X 147 13.903 -9.831 3.962 1.00 0.00 O ATOM 615 CB ALA X 147 11.991 -12.132 3.330 1.00 0.00 C ATOM 0 H ALA X 147 10.804 -11.290 1.388 1.00 0.00 H new ATOM 0 HA ALA X 147 11.302 -10.184 3.927 1.00 0.00 H new ATOM 0 HB1 ALA X 147 12.586 -12.290 4.229 1.00 0.00 H new ATOM 0 HB2 ALA X 147 11.010 -12.590 3.459 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.494 -12.587 2.477 1.00 0.00 H new ATOM 621 N ASN X 148 13.546 -9.562 1.769 1.00 0.00 N ATOM 622 CA ASN X 148 14.816 -8.900 1.531 1.00 0.00 C ATOM 623 C ASN X 148 14.923 -7.547 2.176 1.00 0.00 C ATOM 624 O ASN X 148 16.026 -7.014 2.283 1.00 0.00 O ATOM 625 CB ASN X 148 15.037 -8.647 0.052 1.00 0.00 C ATOM 626 CG ASN X 148 14.975 -9.875 -0.776 1.00 0.00 C ATOM 627 OD1 ASN X 148 14.216 -9.919 -1.714 1.00 0.00 O ATOM 628 ND2 ASN X 148 15.741 -10.864 -0.451 1.00 0.00 N ATOM 0 H ASN X 148 12.970 -9.682 0.936 1.00 0.00 H new ATOM 0 HA ASN X 148 15.551 -9.583 1.958 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.286 -7.941 -0.303 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.010 -8.175 -0.086 1.00 0.00 H new ATOM 0 HD21 ASN X 148 15.719 -11.726 -0.996 1.00 0.00 H new ATOM 0 HD22 ASN X 148 16.367 -10.782 0.350 1.00 0.00 H new ATOM 635 N CYS X 149 13.804 -6.960 2.565 1.00 0.00 N ATOM 636 CA CYS X 149 13.863 -5.638 3.127 1.00 0.00 C ATOM 637 C CYS X 149 12.596 -5.143 3.803 1.00 0.00 C ATOM 638 O CYS X 149 12.609 -4.600 4.905 1.00 0.00 O ATOM 639 CB CYS X 149 14.188 -4.705 1.933 1.00 0.00 C ATOM 640 SG CYS X 149 13.059 -4.874 0.512 1.00 0.00 S ATOM 0 H CYS X 149 12.872 -7.370 2.502 1.00 0.00 H new ATOM 0 HA CYS X 149 14.605 -5.647 3.926 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.164 -3.672 2.279 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.206 -4.906 1.598 1.00 0.00 H new ATOM 645 N LYS X 150 11.516 -5.266 3.061 1.00 0.00 N ATOM 646 CA LYS X 150 10.238 -4.703 3.473 1.00 0.00 C ATOM 647 C LYS X 150 9.070 -5.529 4.060 1.00 0.00 C ATOM 648 O LYS X 150 9.166 -6.104 5.138 1.00 0.00 O ATOM 649 CB LYS X 150 9.793 -3.825 2.305 1.00 0.00 C ATOM 650 CG LYS X 150 10.799 -2.702 2.082 1.00 0.00 C ATOM 651 CD LYS X 150 10.430 -1.889 0.909 1.00 0.00 C ATOM 652 CE LYS X 150 11.479 -0.807 0.648 1.00 0.00 C ATOM 653 NZ LYS X 150 11.626 0.137 1.807 1.00 0.00 N ATOM 0 H LYS X 150 11.493 -5.752 2.165 1.00 0.00 H new ATOM 0 HA LYS X 150 10.477 -4.214 4.417 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.702 -4.427 1.401 1.00 0.00 H new ATOM 0 HB3 LYS X 150 8.808 -3.406 2.509 1.00 0.00 H new ATOM 0 HG2 LYS X 150 10.845 -2.069 2.968 1.00 0.00 H new ATOM 0 HG3 LYS X 150 11.794 -3.123 1.939 1.00 0.00 H new ATOM 0 HD2 LYS X 150 10.335 -2.529 0.032 1.00 0.00 H new ATOM 0 HD3 LYS X 150 9.457 -1.427 1.073 1.00 0.00 H new ATOM 0 HE2 LYS X 150 12.440 -1.278 0.442 1.00 0.00 H new ATOM 0 HE3 LYS X 150 11.203 -0.244 -0.243 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 12.188 0.961 1.514 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 10.685 0.453 2.119 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 12.106 -0.349 2.591 1.00 0.00 H new ATOM 667 N PHE X 151 7.947 -5.497 3.359 1.00 0.00 N ATOM 668 CA PHE X 151 6.689 -6.101 3.801 1.00 0.00 C ATOM 669 C PHE X 151 5.997 -7.240 3.074 1.00 0.00 C ATOM 670 O PHE X 151 6.394 -7.635 1.981 1.00 0.00 O ATOM 671 CB PHE X 151 5.705 -4.936 3.746 1.00 0.00 C ATOM 672 CG PHE X 151 5.770 -4.123 2.483 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.370 -4.637 1.263 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.206 -2.810 2.536 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.419 -3.859 0.129 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.251 -2.038 1.404 1.00 0.00 C ATOM 677 CZ PHE X 151 5.855 -2.560 0.204 1.00 0.00 C ATOM 0 H PHE X 151 7.878 -5.043 2.448 1.00 0.00 H new ATOM 0 HA PHE X 151 6.965 -6.588 4.736 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.694 -5.326 3.860 1.00 0.00 H new ATOM 0 HB3 PHE X 151 5.891 -4.279 4.596 1.00 0.00 H new ATOM 0 HD1 PHE X 151 5.017 -5.656 1.200 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.515 -2.389 3.481 1.00 0.00 H new ATOM 0 HE1 PHE X 151 5.114 -4.271 -0.821 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.599 -1.017 1.460 1.00 0.00 H new ATOM 0 HZ PHE X 151 5.885 -1.949 -0.686 1.00 0.00 H new ATOM 687 N THR X 152 4.916 -7.720 3.694 1.00 0.00 N ATOM 688 CA THR X 152 4.066 -8.767 3.134 1.00 0.00 C ATOM 689 C THR X 152 2.814 -8.021 2.680 1.00 0.00 C ATOM 690 O THR X 152 1.974 -7.613 3.465 1.00 0.00 O ATOM 691 CB THR X 152 3.792 -9.941 4.142 1.00 0.00 C ATOM 692 OG1 THR X 152 3.221 -11.050 3.447 1.00 0.00 O ATOM 693 CG2 THR X 152 2.854 -9.597 5.282 1.00 0.00 C ATOM 0 H THR X 152 4.606 -7.388 4.607 1.00 0.00 H new ATOM 0 HA THR X 152 4.537 -9.291 2.303 1.00 0.00 H new ATOM 0 HB THR X 152 4.766 -10.169 4.576 1.00 0.00 H new ATOM 0 HG1 THR X 152 3.053 -11.780 4.078 1.00 0.00 H new ATOM 0 HG21 THR X 152 2.726 -10.469 5.924 1.00 0.00 H new ATOM 0 HG22 THR X 152 3.274 -8.777 5.864 1.00 0.00 H new ATOM 0 HG23 THR X 152 1.886 -9.298 4.879 1.00 0.00 H new ATOM 701 N CYS X 153 2.740 -7.752 1.395 1.00 0.00 N ATOM 702 CA CYS X 153 1.636 -6.976 0.870 1.00 0.00 C ATOM 703 C CYS X 153 0.698 -7.737 -0.041 1.00 0.00 C ATOM 704 O CYS X 153 1.050 -8.800 -0.550 1.00 0.00 O ATOM 705 CB CYS X 153 2.239 -5.858 0.031 1.00 0.00 C ATOM 706 SG CYS X 153 3.237 -6.468 -1.327 1.00 0.00 S ATOM 0 H CYS X 153 3.423 -8.055 0.700 1.00 0.00 H new ATOM 0 HA CYS X 153 1.051 -6.645 1.728 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.437 -5.235 -0.365 1.00 0.00 H new ATOM 0 HB3 CYS X 153 2.852 -5.222 0.669 1.00 0.00 H new ATOM 0 HG CYS X 153 2.463 -6.817 -2.312 1.00 0.00 H new ATOM 712 N HIS X 154 -0.474 -7.173 -0.307 1.00 0.00 N ATOM 713 CA HIS X 154 -1.388 -7.818 -1.270 1.00 0.00 C ATOM 714 C HIS X 154 -0.559 -7.917 -2.570 1.00 0.00 C ATOM 715 O HIS X 154 0.187 -6.982 -2.923 1.00 0.00 O ATOM 716 CB HIS X 154 -2.654 -7.011 -1.662 1.00 0.00 C ATOM 717 CG HIS X 154 -3.571 -6.643 -0.537 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.376 -5.532 0.282 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.734 -7.248 -0.127 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.421 -5.531 1.161 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.233 -6.546 0.925 1.00 0.00 N ATOM 0 H HIS X 154 -0.814 -6.305 0.106 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.740 -8.743 -0.813 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.337 -6.095 -2.161 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.220 -7.591 -2.391 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.176 -8.130 -0.565 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.564 -4.800 1.943 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.085 -6.765 1.441 1.00 0.00 H new ATOM 729 N SER X 155 -0.696 -9.016 -3.300 1.00 0.00 N ATOM 730 CA SER X 155 0.043 -9.178 -4.555 1.00 0.00 C ATOM 731 C SER X 155 -0.250 -7.963 -5.440 1.00 0.00 C ATOM 732 O SER X 155 0.632 -7.424 -6.098 1.00 0.00 O ATOM 733 CB SER X 155 -0.344 -10.490 -5.238 1.00 0.00 C ATOM 734 OG SER X 155 -1.737 -10.544 -5.501 1.00 0.00 O ATOM 0 H SER X 155 -1.301 -9.800 -3.054 1.00 0.00 H new ATOM 0 HA SER X 155 1.115 -9.230 -4.365 1.00 0.00 H new ATOM 0 HB2 SER X 155 0.209 -10.593 -6.172 1.00 0.00 H new ATOM 0 HB3 SER X 155 -0.059 -11.330 -4.605 1.00 0.00 H new ATOM 0 HG SER X 155 -1.954 -11.393 -5.939 1.00 0.00 H new ATOM 740 N GLU X 156 -1.502 -7.537 -5.414 1.00 0.00 N ATOM 741 CA GLU X 156 -1.973 -6.365 -6.148 1.00 0.00 C ATOM 742 C GLU X 156 -1.219 -5.103 -5.680 1.00 0.00 C ATOM 743 O GLU X 156 -0.732 -4.312 -6.491 1.00 0.00 O ATOM 744 CB GLU X 156 -3.476 -6.218 -5.889 1.00 0.00 C ATOM 745 CG GLU X 156 -4.158 -5.049 -6.586 1.00 0.00 C ATOM 746 CD GLU X 156 -5.656 -5.013 -6.273 1.00 0.00 C ATOM 747 OE1 GLU X 156 -6.003 -5.114 -5.073 1.00 0.00 O ATOM 748 OE2 GLU X 156 -6.442 -5.072 -7.237 1.00 0.00 O ATOM 0 H GLU X 156 -2.234 -8.000 -4.875 1.00 0.00 H new ATOM 0 HA GLU X 156 -1.787 -6.487 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -3.970 -7.139 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -3.632 -6.117 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -3.696 -4.114 -6.270 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -4.011 -5.129 -7.663 1.00 0.00 H new ATOM 755 N CYS X 157 -1.124 -4.943 -4.359 1.00 0.00 N ATOM 756 CA CYS X 157 -0.457 -3.806 -3.734 1.00 0.00 C ATOM 757 C CYS X 157 1.028 -3.722 -4.066 1.00 0.00 C ATOM 758 O CYS X 157 1.634 -2.672 -3.890 1.00 0.00 O ATOM 759 CB CYS X 157 -0.689 -3.793 -2.219 1.00 0.00 C ATOM 760 SG CYS X 157 -2.401 -3.491 -1.829 1.00 0.00 S ATOM 0 H CYS X 157 -1.512 -5.607 -3.689 1.00 0.00 H new ATOM 0 HA CYS X 157 -0.913 -2.913 -4.161 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.380 -4.748 -1.793 1.00 0.00 H new ATOM 0 HB3 CYS X 157 -0.068 -3.023 -1.760 1.00 0.00 H new ATOM 765 N ARG X 158 1.626 -4.802 -4.556 1.00 0.00 N ATOM 766 CA ARG X 158 3.051 -4.721 -4.949 1.00 0.00 C ATOM 767 C ARG X 158 3.245 -3.597 -5.973 1.00 0.00 C ATOM 768 O ARG X 158 4.311 -3.016 -6.067 1.00 0.00 O ATOM 769 CB ARG X 158 3.574 -5.995 -5.601 1.00 0.00 C ATOM 770 CG ARG X 158 3.620 -7.209 -4.718 1.00 0.00 C ATOM 771 CD ARG X 158 4.251 -8.344 -5.485 1.00 0.00 C ATOM 772 NE ARG X 158 3.435 -8.749 -6.626 1.00 0.00 N ATOM 773 CZ ARG X 158 3.797 -9.674 -7.494 1.00 0.00 C ATOM 774 NH1 ARG X 158 4.937 -10.294 -7.352 1.00 0.00 N ATOM 775 NH2 ARG X 158 3.017 -9.974 -8.496 1.00 0.00 N ATOM 0 H ARG X 158 1.182 -5.710 -4.691 1.00 0.00 H new ATOM 0 HA ARG X 158 3.600 -4.545 -4.024 1.00 0.00 H new ATOM 0 HB2 ARG X 158 2.950 -6.221 -6.465 1.00 0.00 H new ATOM 0 HB3 ARG X 158 4.579 -5.803 -5.975 1.00 0.00 H new ATOM 0 HG2 ARG X 158 4.194 -6.998 -3.816 1.00 0.00 H new ATOM 0 HG3 ARG X 158 2.614 -7.482 -4.399 1.00 0.00 H new ATOM 0 HD2 ARG X 158 5.239 -8.042 -5.834 1.00 0.00 H new ATOM 0 HD3 ARG X 158 4.394 -9.196 -4.820 1.00 0.00 H new ATOM 0 HE ARG X 158 2.534 -8.291 -6.760 1.00 0.00 H new ATOM 0 HH11 ARG X 158 5.549 -10.063 -6.569 1.00 0.00 H new ATOM 0 HH12 ARG X 158 5.216 -11.009 -8.024 1.00 0.00 H new ATOM 0 HH21 ARG X 158 2.125 -9.493 -8.610 1.00 0.00 H new ATOM 0 HH22 ARG X 158 3.299 -10.690 -9.166 1.00 0.00 H new ATOM 789 N SER X 159 2.205 -3.296 -6.740 1.00 0.00 N ATOM 790 CA SER X 159 2.275 -2.248 -7.765 1.00 0.00 C ATOM 791 C SER X 159 2.380 -0.828 -7.188 1.00 0.00 C ATOM 792 O SER X 159 2.502 0.141 -7.931 1.00 0.00 O ATOM 793 CB SER X 159 1.002 -2.304 -8.608 1.00 0.00 C ATOM 794 OG SER X 159 0.880 -3.565 -9.243 1.00 0.00 O ATOM 0 H SER X 159 1.299 -3.760 -6.676 1.00 0.00 H new ATOM 0 HA SER X 159 3.177 -2.441 -8.345 1.00 0.00 H new ATOM 0 HB2 SER X 159 0.132 -2.123 -7.976 1.00 0.00 H new ATOM 0 HB3 SER X 159 1.021 -1.513 -9.358 1.00 0.00 H new ATOM 0 HG SER X 159 0.059 -3.584 -9.777 1.00 0.00 H new ATOM 800 N LEU X 160 2.331 -0.706 -5.870 1.00 0.00 N ATOM 801 CA LEU X 160 2.409 0.593 -5.199 1.00 0.00 C ATOM 802 C LEU X 160 3.831 0.891 -4.728 1.00 0.00 C ATOM 803 O LEU X 160 4.105 1.966 -4.205 1.00 0.00 O ATOM 804 CB LEU X 160 1.446 0.623 -3.993 1.00 0.00 C ATOM 805 CG LEU X 160 -0.078 0.729 -4.214 1.00 0.00 C ATOM 806 CD1 LEU X 160 -0.407 2.115 -4.729 1.00 0.00 C ATOM 807 CD2 LEU X 160 -0.647 -0.263 -5.205 1.00 0.00 C ATOM 0 H LEU X 160 2.237 -1.498 -5.234 1.00 0.00 H new ATOM 0 HA LEU X 160 2.120 1.359 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU X 160 1.626 -0.283 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU X 160 1.740 1.465 -3.366 1.00 0.00 H new ATOM 0 HG LEU X 160 -0.527 0.512 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -1.482 2.198 -4.888 1.00 0.00 H new ATOM 0 HD12 LEU X 160 -0.089 2.859 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU X 160 0.113 2.286 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -1.723 -0.112 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU X 160 -0.178 -0.115 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU X 160 -0.450 -1.277 -4.858 1.00 0.00 H new ATOM 819 N ILE X 161 4.748 -0.049 -4.935 1.00 0.00 N ATOM 820 CA ILE X 161 6.140 0.167 -4.532 1.00 0.00 C ATOM 821 C ILE X 161 7.017 0.022 -5.782 1.00 0.00 C ATOM 822 O ILE X 161 7.326 -1.062 -6.253 1.00 0.00 O ATOM 823 CB ILE X 161 6.553 -0.780 -3.342 1.00 0.00 C ATOM 824 CG1 ILE X 161 8.074 -0.704 -3.118 1.00 0.00 C ATOM 825 CG2 ILE X 161 6.054 -2.230 -3.582 1.00 0.00 C ATOM 826 CD1 ILE X 161 8.605 -1.607 -2.048 1.00 0.00 C ATOM 0 H ILE X 161 4.562 -0.952 -5.371 1.00 0.00 H new ATOM 0 HA ILE X 161 6.279 1.172 -4.133 1.00 0.00 H new ATOM 0 HB ILE X 161 6.068 -0.440 -2.427 1.00 0.00 H new ATOM 0 HG12 ILE X 161 8.576 -0.943 -4.056 1.00 0.00 H new ATOM 0 HG13 ILE X 161 8.338 0.324 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE X 161 6.353 -2.861 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE X 161 4.967 -2.231 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE X 161 6.490 -2.617 -4.503 1.00 0.00 H new ATOM 0 HD11 ILE X 161 9.685 -1.480 -1.967 1.00 0.00 H new ATOM 0 HD12 ILE X 161 8.138 -1.357 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE X 161 8.380 -2.643 -2.301 1.00 0.00 H new ATOM 838 N GLN X 162 7.405 1.171 -6.312 1.00 0.00 N ATOM 839 CA GLN X 162 8.222 1.250 -7.528 1.00 0.00 C ATOM 840 C GLN X 162 9.740 1.327 -7.292 1.00 0.00 C ATOM 841 O GLN X 162 10.487 1.737 -8.172 1.00 0.00 O ATOM 842 CB GLN X 162 7.730 2.433 -8.371 1.00 0.00 C ATOM 843 CG GLN X 162 6.313 2.208 -8.915 1.00 0.00 C ATOM 844 CD GLN X 162 5.778 3.398 -9.672 1.00 0.00 C ATOM 845 OE1 GLN X 162 6.495 4.069 -10.394 1.00 0.00 O ATOM 846 NE2 GLN X 162 4.503 3.655 -9.521 1.00 0.00 N ATOM 0 H GLN X 162 7.166 2.080 -5.916 1.00 0.00 H new ATOM 0 HA GLN X 162 8.088 0.308 -8.059 1.00 0.00 H new ATOM 0 HB2 GLN X 162 7.745 3.339 -7.766 1.00 0.00 H new ATOM 0 HB3 GLN X 162 8.415 2.594 -9.203 1.00 0.00 H new ATOM 0 HG2 GLN X 162 6.315 1.338 -9.571 1.00 0.00 H new ATOM 0 HG3 GLN X 162 5.643 1.980 -8.086 1.00 0.00 H new ATOM 0 HE21 GLN X 162 3.934 3.071 -8.908 1.00 0.00 H new ATOM 0 HE22 GLN X 162 4.079 4.439 -10.016 1.00 0.00 H new ATOM 855 N LEU X 163 10.198 0.948 -6.107 1.00 0.00 N ATOM 856 CA LEU X 163 11.636 0.977 -5.800 1.00 0.00 C ATOM 857 C LEU X 163 12.084 -0.283 -5.064 1.00 0.00 C ATOM 858 O LEU X 163 11.435 -0.727 -4.120 1.00 0.00 O ATOM 859 CB LEU X 163 12.051 2.235 -5.006 1.00 0.00 C ATOM 860 CG LEU X 163 11.511 2.531 -3.593 1.00 0.00 C ATOM 861 CD1 LEU X 163 12.146 3.821 -3.127 1.00 0.00 C ATOM 862 CD2 LEU X 163 10.012 2.728 -3.538 1.00 0.00 C ATOM 0 H LEU X 163 9.607 0.618 -5.343 1.00 0.00 H new ATOM 0 HA LEU X 163 12.144 1.014 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU X 163 13.138 2.211 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU X 163 11.795 3.095 -5.625 1.00 0.00 H new ATOM 0 HG LEU X 163 11.751 1.669 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU X 163 11.786 4.063 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU X 163 13.230 3.706 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU X 163 11.881 4.626 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU X 163 9.709 2.932 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU X 163 9.732 3.569 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU X 163 9.513 1.825 -3.891 1.00 0.00 H new ATOM 874 N ASP X 164 13.196 -0.833 -5.542 1.00 0.00 N ATOM 875 CA ASP X 164 13.845 -2.066 -5.052 1.00 0.00 C ATOM 876 C ASP X 164 14.209 -2.120 -3.563 1.00 0.00 C ATOM 877 O ASP X 164 13.932 -1.203 -2.801 1.00 0.00 O ATOM 878 CB ASP X 164 15.126 -2.299 -5.862 1.00 0.00 C ATOM 879 CG ASP X 164 14.875 -2.287 -7.344 1.00 0.00 C ATOM 880 OD1 ASP X 164 14.751 -1.150 -7.863 1.00 0.00 O ATOM 881 OD2 ASP X 164 14.613 -3.371 -7.889 1.00 0.00 O ATOM 0 H ASP X 164 13.703 -0.416 -6.323 1.00 0.00 H new ATOM 0 HA ASP X 164 13.089 -2.840 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP X 164 15.856 -1.528 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP X 164 15.564 -3.256 -5.578 1.00 0.00 H new ATOM 886 N CYS X 165 14.813 -3.231 -3.154 1.00 0.00 N ATOM 887 CA CYS X 165 15.212 -3.451 -1.777 1.00 0.00 C ATOM 888 C CYS X 165 16.144 -2.370 -1.188 1.00 0.00 C ATOM 889 O CYS X 165 17.316 -2.261 -1.550 1.00 0.00 O ATOM 890 CB CYS X 165 15.913 -4.811 -1.707 1.00 0.00 C ATOM 891 SG CYS X 165 14.974 -6.161 -2.356 1.00 0.00 S ATOM 0 H CYS X 165 15.039 -4.007 -3.777 1.00 0.00 H new ATOM 0 HA CYS X 165 14.305 -3.409 -1.174 1.00 0.00 H new ATOM 0 HB2 CYS X 165 16.855 -4.747 -2.251 1.00 0.00 H new ATOM 0 HB3 CYS X 165 16.159 -5.024 -0.667 1.00 0.00 H new ATOM 896 N ARG X 166 15.592 -1.577 -0.282 1.00 0.00 N ATOM 897 CA ARG X 166 16.340 -0.503 0.391 1.00 0.00 C ATOM 898 C ARG X 166 16.725 -0.975 1.781 1.00 0.00 C ATOM 899 O ARG X 166 16.256 -2.086 2.096 1.00 0.00 O ATOM 900 CB ARG X 166 15.495 0.780 0.463 1.00 0.00 C ATOM 901 CG ARG X 166 15.194 1.349 -0.917 1.00 0.00 C ATOM 902 CD ARG X 166 16.467 1.855 -1.604 1.00 0.00 C ATOM 903 NE ARG X 166 16.211 2.266 -2.986 1.00 0.00 N ATOM 904 CZ ARG X 166 16.252 1.429 -4.011 1.00 0.00 C ATOM 905 NH1 ARG X 166 16.544 0.176 -3.819 1.00 0.00 N ATOM 906 NH2 ARG X 166 16.004 1.847 -5.222 1.00 0.00 N ATOM 907 OXT ARG X 166 17.194 -0.137 2.568 1.00 0.00 O ATOM 0 H ARG X 166 14.618 -1.652 0.013 1.00 0.00 H new ATOM 0 HA ARG X 166 17.242 -0.271 -0.176 1.00 0.00 H new ATOM 0 HB2 ARG X 166 14.558 0.568 0.979 1.00 0.00 H new ATOM 0 HB3 ARG X 166 16.023 1.528 1.055 1.00 0.00 H new ATOM 0 HG2 ARG X 166 14.726 0.582 -1.534 1.00 0.00 H new ATOM 0 HG3 ARG X 166 14.478 2.166 -0.827 1.00 0.00 H new ATOM 0 HD2 ARG X 166 16.873 2.697 -1.043 1.00 0.00 H new ATOM 0 HD3 ARG X 166 17.223 1.070 -1.592 1.00 0.00 H new ATOM 0 HE ARG X 166 15.990 3.245 -3.168 1.00 0.00 H new ATOM 0 HH11 ARG X 166 16.742 -0.163 -2.878 1.00 0.00 H new ATOM 0 HH12 ARG X 166 16.575 -0.467 -4.610 1.00 0.00 H new ATOM 0 HH21 ARG X 166 15.776 2.827 -5.386 1.00 0.00 H new ATOM 0 HH22 ARG X 166 16.038 1.193 -6.004 1.00 0.00 H new TER 921 ARG X 166 HETATM 922 ZN ZN X 1 -2.067 -3.756 0.280 1.00 0.00 ZN HETATM 923 ZN ZN X 2 13.146 -6.094 -1.258 1.00 0.00 ZN