USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 402 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 74 HIS : no HD1:sc= -4.69 K(o=-4.2,f=-12!) USER MOD Set 1.2: A 91 CYS SG : rot 105:sc= 0.523 USER MOD Single : A 53 GLN : amide:sc= -0.0355 X(o=-0.036,f=-0.35) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -1.55 K(o=-1.6,f=-5.6!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 143:sc= -0.418 (180deg=-1.13) USER MOD Single : A 75 THR OG1 : rot 72:sc= 1.12 USER MOD Single : A 78 SER OG : rot 180:sc= -0.396 USER MOD Single : A 84 SER OG : rot 180:sc= -0.184 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.3) USER MOD Single : A 92 GLN : amide:sc= -0.0721 X(o=-0.072,f=-0.44) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 49 7.298 6.290 -1.257 1.00 45.45 N ATOM 2 CA GLU A 49 6.992 5.280 -2.262 1.00 4.12 C ATOM 3 C GLU A 49 7.523 3.913 -1.840 1.00 25.31 C ATOM 4 O GLU A 49 8.529 3.818 -1.137 1.00 33.43 O ATOM 5 CB GLU A 49 7.589 5.676 -3.614 1.00 74.54 C ATOM 6 CG GLU A 49 6.702 6.610 -4.421 1.00 62.20 C ATOM 7 CD GLU A 49 7.416 7.202 -5.620 1.00 60.33 C ATOM 8 OE1 GLU A 49 8.543 6.756 -5.921 1.00 73.44 O1- ATOM 9 OE2 GLU A 49 6.847 8.112 -6.259 1.00 53.02 O ATOM 0 HA GLU A 49 5.908 5.216 -2.356 1.00 4.12 H new ATOM 0 HB2 GLU A 49 8.553 6.157 -3.449 1.00 74.54 H new ATOM 0 HB3 GLU A 49 7.778 4.774 -4.197 1.00 74.54 H new ATOM 0 HG2 GLU A 49 5.821 6.065 -4.760 1.00 62.20 H new ATOM 0 HG3 GLU A 49 6.350 7.417 -3.778 1.00 62.20 H new ATOM 16 N GLU A 50 6.840 2.860 -2.276 1.00 33.43 N ATOM 17 CA GLU A 50 7.244 1.498 -1.942 1.00 35.32 C ATOM 18 C GLU A 50 8.107 0.899 -3.049 1.00 61.31 C ATOM 19 O GLU A 50 8.406 1.561 -4.043 1.00 72.51 O ATOM 20 CB GLU A 50 6.013 0.620 -1.710 1.00 31.31 C ATOM 21 CG GLU A 50 5.255 0.960 -0.437 1.00 53.12 C ATOM 22 CD GLU A 50 3.843 0.407 -0.433 1.00 21.52 C ATOM 23 OE1 GLU A 50 3.087 0.702 -1.382 1.00 32.43 O ATOM 24 OE2 GLU A 50 3.494 -0.321 0.519 1.00 73.31 O1- ATOM 0 H GLU A 50 6.006 2.922 -2.860 1.00 33.43 H new ATOM 0 HA GLU A 50 7.833 1.536 -1.026 1.00 35.32 H new ATOM 0 HB2 GLU A 50 5.340 0.720 -2.562 1.00 31.31 H new ATOM 0 HB3 GLU A 50 6.324 -0.424 -1.670 1.00 31.31 H new ATOM 0 HG2 GLU A 50 5.798 0.565 0.421 1.00 53.12 H new ATOM 0 HG3 GLU A 50 5.217 2.043 -0.319 1.00 53.12 H new ATOM 31 N GLU A 51 8.504 -0.357 -2.868 1.00 23.12 N ATOM 32 CA GLU A 51 9.334 -1.044 -3.850 1.00 22.02 C ATOM 33 C GLU A 51 8.695 -0.990 -5.236 1.00 64.32 C ATOM 34 O GLU A 51 7.562 -0.534 -5.392 1.00 52.54 O ATOM 35 CB GLU A 51 9.555 -2.500 -3.436 1.00 33.41 C ATOM 36 CG GLU A 51 10.983 -2.979 -3.635 1.00 42.33 C ATOM 37 CD GLU A 51 11.072 -4.480 -3.835 1.00 71.44 C ATOM 38 OE1 GLU A 51 10.036 -5.162 -3.682 1.00 1.32 O ATOM 39 OE2 GLU A 51 12.176 -4.972 -4.146 1.00 24.13 O1- ATOM 0 H GLU A 51 8.264 -0.919 -2.051 1.00 23.12 H new ATOM 0 HA GLU A 51 10.297 -0.536 -3.892 1.00 22.02 H new ATOM 0 HB2 GLU A 51 9.285 -2.615 -2.386 1.00 33.41 H new ATOM 0 HB3 GLU A 51 8.883 -3.138 -4.010 1.00 33.41 H new ATOM 0 HG2 GLU A 51 11.414 -2.475 -4.500 1.00 42.33 H new ATOM 0 HG3 GLU A 51 11.581 -2.695 -2.769 1.00 42.33 H new ATOM 46 N PHE A 52 9.430 -1.459 -6.238 1.00 61.42 N ATOM 47 CA PHE A 52 8.937 -1.463 -7.610 1.00 64.25 C ATOM 48 C PHE A 52 7.574 -2.142 -7.696 1.00 10.24 C ATOM 49 O PHE A 52 7.176 -2.875 -6.791 1.00 53.32 O ATOM 50 CB PHE A 52 9.932 -2.172 -8.531 1.00 1.22 C ATOM 51 CG PHE A 52 10.394 -3.501 -8.003 1.00 32.03 C ATOM 52 CD1 PHE A 52 9.517 -4.571 -7.921 1.00 35.34 C ATOM 53 CD2 PHE A 52 11.703 -3.681 -7.589 1.00 32.31 C ATOM 54 CE1 PHE A 52 9.938 -5.795 -7.437 1.00 55.52 C ATOM 55 CE2 PHE A 52 12.130 -4.903 -7.104 1.00 50.31 C ATOM 56 CZ PHE A 52 11.246 -5.961 -7.027 1.00 21.13 C ATOM 0 H PHE A 52 10.369 -1.841 -6.126 1.00 61.42 H new ATOM 0 HA PHE A 52 8.829 -0.428 -7.933 1.00 64.25 H new ATOM 0 HB2 PHE A 52 9.471 -2.318 -9.508 1.00 1.22 H new ATOM 0 HB3 PHE A 52 10.799 -1.528 -8.681 1.00 1.22 H new ATOM 0 HD1 PHE A 52 8.492 -4.447 -8.239 1.00 35.34 H new ATOM 0 HD2 PHE A 52 12.399 -2.857 -7.646 1.00 32.31 H new ATOM 0 HE1 PHE A 52 9.245 -6.621 -7.379 1.00 55.52 H new ATOM 0 HE2 PHE A 52 13.154 -5.030 -6.786 1.00 50.31 H new ATOM 0 HZ PHE A 52 11.577 -6.916 -6.647 1.00 21.13 H new ATOM 66 N GLN A 53 6.863 -1.894 -8.792 1.00 43.11 N ATOM 67 CA GLN A 53 5.544 -2.481 -8.996 1.00 43.03 C ATOM 68 C GLN A 53 5.605 -3.621 -10.007 1.00 43.43 C ATOM 69 O GLN A 53 5.245 -3.451 -11.172 1.00 34.32 O ATOM 70 CB GLN A 53 4.556 -1.414 -9.472 1.00 5.23 C ATOM 71 CG GLN A 53 5.074 -0.578 -10.630 1.00 34.41 C ATOM 72 CD GLN A 53 5.636 0.756 -10.181 1.00 13.14 C ATOM 73 OE1 GLN A 53 6.849 0.972 -10.203 1.00 35.22 O ATOM 74 NE2 GLN A 53 4.756 1.662 -9.772 1.00 62.23 N ATOM 0 H GLN A 53 7.178 -1.291 -9.552 1.00 43.11 H new ATOM 0 HA GLN A 53 5.202 -2.884 -8.043 1.00 43.03 H new ATOM 0 HB2 GLN A 53 3.627 -1.899 -9.772 1.00 5.23 H new ATOM 0 HB3 GLN A 53 4.316 -0.755 -8.638 1.00 5.23 H new ATOM 0 HG2 GLN A 53 5.848 -1.135 -11.158 1.00 34.41 H new ATOM 0 HG3 GLN A 53 4.265 -0.407 -11.340 1.00 34.41 H new ATOM 0 HE21 GLN A 53 3.760 1.441 -9.770 1.00 62.23 H new ATOM 0 HE22 GLN A 53 5.076 2.579 -9.460 1.00 62.23 H new ATOM 83 N PHE A 54 6.065 -4.783 -9.554 1.00 52.13 N ATOM 84 CA PHE A 54 6.174 -5.951 -10.419 1.00 61.12 C ATOM 85 C PHE A 54 5.761 -7.219 -9.677 1.00 13.15 C ATOM 86 O PHE A 54 5.841 -7.287 -8.450 1.00 11.13 O ATOM 87 CB PHE A 54 7.607 -6.094 -10.938 1.00 13.23 C ATOM 88 CG PHE A 54 7.800 -5.549 -12.325 1.00 31.01 C ATOM 89 CD1 PHE A 54 8.062 -4.203 -12.523 1.00 60.11 C ATOM 90 CD2 PHE A 54 7.719 -6.382 -13.429 1.00 5.15 C ATOM 91 CE1 PHE A 54 8.238 -3.699 -13.798 1.00 51.12 C ATOM 92 CE2 PHE A 54 7.895 -5.883 -14.705 1.00 75.03 C ATOM 93 CZ PHE A 54 8.156 -4.540 -14.889 1.00 40.15 C ATOM 0 H PHE A 54 6.368 -4.940 -8.593 1.00 52.13 H new ATOM 0 HA PHE A 54 5.500 -5.811 -11.264 1.00 61.12 H new ATOM 0 HB2 PHE A 54 8.285 -5.580 -10.257 1.00 13.23 H new ATOM 0 HB3 PHE A 54 7.885 -7.148 -10.929 1.00 13.23 H new ATOM 0 HD1 PHE A 54 8.129 -3.541 -11.672 1.00 60.11 H new ATOM 0 HD2 PHE A 54 7.516 -7.434 -13.290 1.00 5.15 H new ATOM 0 HE1 PHE A 54 8.440 -2.648 -13.940 1.00 51.12 H new ATOM 0 HE2 PHE A 54 7.828 -6.543 -15.558 1.00 75.03 H new ATOM 0 HZ PHE A 54 8.296 -4.148 -15.886 1.00 40.15 H new ATOM 103 N LEU A 55 5.319 -8.220 -10.430 1.00 74.24 N ATOM 104 CA LEU A 55 4.893 -9.487 -9.844 1.00 4.23 C ATOM 105 C LEU A 55 6.095 -10.360 -9.499 1.00 10.01 C ATOM 106 O LEU A 55 7.234 -10.018 -9.816 1.00 42.40 O ATOM 107 CB LEU A 55 3.968 -10.230 -10.809 1.00 1.13 C ATOM 108 CG LEU A 55 2.507 -9.776 -10.826 1.00 43.14 C ATOM 109 CD1 LEU A 55 1.711 -10.577 -11.842 1.00 14.41 C ATOM 110 CD2 LEU A 55 1.894 -9.906 -9.439 1.00 71.20 C ATOM 0 H LEU A 55 5.246 -8.180 -11.447 1.00 74.24 H new ATOM 0 HA LEU A 55 4.351 -9.270 -8.924 1.00 4.23 H new ATOM 0 HB2 LEU A 55 4.371 -10.128 -11.817 1.00 1.13 H new ATOM 0 HB3 LEU A 55 3.995 -11.291 -10.561 1.00 1.13 H new ATOM 0 HG LEU A 55 2.475 -8.727 -11.119 1.00 43.14 H new ATOM 0 HD11 LEU A 55 0.674 -10.240 -11.840 1.00 14.41 H new ATOM 0 HD12 LEU A 55 2.138 -10.432 -12.835 1.00 14.41 H new ATOM 0 HD13 LEU A 55 1.749 -11.635 -11.582 1.00 14.41 H new ATOM 0 HD21 LEU A 55 0.855 -9.579 -9.468 1.00 71.20 H new ATOM 0 HD22 LEU A 55 1.938 -10.947 -9.118 1.00 71.20 H new ATOM 0 HD23 LEU A 55 2.450 -9.286 -8.736 1.00 71.20 H new ATOM 122 N ARG A 56 5.832 -11.489 -8.849 1.00 24.35 N ATOM 123 CA ARG A 56 6.893 -12.412 -8.462 1.00 61.30 C ATOM 124 C ARG A 56 6.430 -13.859 -8.600 1.00 71.11 C ATOM 125 O ARG A 56 5.513 -14.298 -7.905 1.00 4.14 O ATOM 126 CB ARG A 56 7.333 -12.140 -7.022 1.00 14.31 C ATOM 127 CG ARG A 56 8.635 -12.827 -6.644 1.00 32.41 C ATOM 128 CD ARG A 56 8.405 -13.937 -5.631 1.00 53.43 C ATOM 129 NE ARG A 56 7.758 -13.446 -4.417 1.00 64.23 N ATOM 130 CZ ARG A 56 7.240 -14.240 -3.487 1.00 63.05 C ATOM 131 NH1 ARG A 56 7.294 -15.557 -3.630 1.00 24.41 N1+ ATOM 132 NH2 ARG A 56 6.667 -13.717 -2.411 1.00 64.12 N ATOM 0 H ARG A 56 4.894 -11.787 -8.579 1.00 24.35 H new ATOM 0 HA ARG A 56 7.740 -12.255 -9.129 1.00 61.30 H new ATOM 0 HB2 ARG A 56 7.445 -11.065 -6.882 1.00 14.31 H new ATOM 0 HB3 ARG A 56 6.547 -12.470 -6.342 1.00 14.31 H new ATOM 0 HG2 ARG A 56 9.103 -13.240 -7.538 1.00 32.41 H new ATOM 0 HG3 ARG A 56 9.328 -12.094 -6.231 1.00 32.41 H new ATOM 0 HD2 ARG A 56 7.789 -14.716 -6.080 1.00 53.43 H new ATOM 0 HD3 ARG A 56 9.360 -14.395 -5.373 1.00 53.43 H new ATOM 0 HE ARG A 56 7.701 -12.437 -4.276 1.00 64.23 H new ATOM 0 HH11 ARG A 56 7.734 -15.963 -4.456 1.00 24.41 H new ATOM 0 HH12 ARG A 56 6.895 -16.164 -2.914 1.00 24.41 H new ATOM 0 HH21 ARG A 56 6.624 -12.704 -2.297 1.00 64.12 H new ATOM 0 HH22 ARG A 56 6.269 -14.328 -1.697 1.00 64.12 H new ATOM 146 N CYS A 57 7.071 -14.596 -9.500 1.00 62.33 N ATOM 147 CA CYS A 57 6.727 -15.994 -9.730 1.00 34.33 C ATOM 148 C CYS A 57 6.709 -16.773 -8.418 1.00 65.02 C ATOM 149 O CYS A 57 7.710 -16.829 -7.706 1.00 4.11 O ATOM 150 CB CYS A 57 7.721 -16.633 -10.702 1.00 41.30 C ATOM 151 SG CYS A 57 7.140 -18.194 -11.440 1.00 15.55 S ATOM 0 H CYS A 57 7.832 -14.248 -10.083 1.00 62.33 H new ATOM 0 HA CYS A 57 5.729 -16.029 -10.167 1.00 34.33 H new ATOM 0 HB2 CYS A 57 7.938 -15.924 -11.501 1.00 41.30 H new ATOM 0 HB3 CYS A 57 8.658 -16.818 -10.177 1.00 41.30 H new ATOM 156 N GLN A 58 5.564 -17.372 -8.108 1.00 25.22 N ATOM 157 CA GLN A 58 5.416 -18.148 -6.882 1.00 70.11 C ATOM 158 C GLN A 58 6.085 -19.511 -7.016 1.00 21.14 C ATOM 159 O GLN A 58 6.084 -20.308 -6.078 1.00 33.11 O ATOM 160 CB GLN A 58 3.935 -18.324 -6.541 1.00 41.02 C ATOM 161 CG GLN A 58 3.232 -17.023 -6.189 1.00 40.22 C ATOM 162 CD GLN A 58 1.899 -17.245 -5.503 1.00 44.21 C ATOM 163 OE1 GLN A 58 1.652 -16.722 -4.416 1.00 23.53 O ATOM 164 NE2 GLN A 58 1.031 -18.027 -6.134 1.00 1.01 N ATOM 0 H GLN A 58 4.726 -17.335 -8.688 1.00 25.22 H new ATOM 0 HA GLN A 58 5.905 -17.602 -6.075 1.00 70.11 H new ATOM 0 HB2 GLN A 58 3.428 -18.783 -7.389 1.00 41.02 H new ATOM 0 HB3 GLN A 58 3.843 -19.015 -5.703 1.00 41.02 H new ATOM 0 HG2 GLN A 58 3.876 -16.431 -5.539 1.00 40.22 H new ATOM 0 HG3 GLN A 58 3.076 -16.442 -7.098 1.00 40.22 H new ATOM 0 HE21 GLN A 58 1.277 -18.440 -7.034 1.00 1.01 H new ATOM 0 HE22 GLN A 58 0.118 -18.215 -5.719 1.00 1.01 H new ATOM 173 N GLN A 59 6.654 -19.773 -8.188 1.00 43.04 N ATOM 174 CA GLN A 59 7.325 -21.042 -8.445 1.00 24.04 C ATOM 175 C GLN A 59 8.811 -20.826 -8.713 1.00 44.04 C ATOM 176 O GLN A 59 9.617 -21.749 -8.583 1.00 22.05 O ATOM 177 CB GLN A 59 6.679 -21.755 -9.634 1.00 64.40 C ATOM 178 CG GLN A 59 7.412 -21.537 -10.946 1.00 15.35 C ATOM 179 CD GLN A 59 8.220 -22.748 -11.372 1.00 43.04 C ATOM 180 OE1 GLN A 59 7.685 -23.693 -11.951 1.00 74.12 O ATOM 181 NE2 GLN A 59 9.516 -22.725 -11.084 1.00 4.54 N ATOM 0 H GLN A 59 6.664 -19.124 -8.975 1.00 43.04 H new ATOM 0 HA GLN A 59 7.220 -21.666 -7.557 1.00 24.04 H new ATOM 0 HB2 GLN A 59 6.635 -22.824 -9.426 1.00 64.40 H new ATOM 0 HB3 GLN A 59 5.651 -21.408 -9.740 1.00 64.40 H new ATOM 0 HG2 GLN A 59 6.690 -21.295 -11.725 1.00 15.35 H new ATOM 0 HG3 GLN A 59 8.076 -20.678 -10.848 1.00 15.35 H new ATOM 0 HE21 GLN A 59 9.917 -21.920 -10.603 1.00 4.54 H new ATOM 0 HE22 GLN A 59 10.110 -23.512 -11.344 1.00 4.54 H new ATOM 190 N CYS A 60 9.168 -19.603 -9.089 1.00 15.41 N ATOM 191 CA CYS A 60 10.557 -19.266 -9.377 1.00 70.42 C ATOM 192 C CYS A 60 11.115 -18.313 -8.323 1.00 72.01 C ATOM 193 O CYS A 60 12.326 -18.113 -8.233 1.00 5.00 O ATOM 194 CB CYS A 60 10.673 -18.634 -10.765 1.00 0.52 C ATOM 195 SG CYS A 60 10.728 -19.841 -12.129 1.00 52.11 S ATOM 0 H CYS A 60 8.514 -18.828 -9.202 1.00 15.41 H new ATOM 0 HA CYS A 60 11.141 -20.186 -9.355 1.00 70.42 H new ATOM 0 HB2 CYS A 60 9.826 -17.965 -10.920 1.00 0.52 H new ATOM 0 HB3 CYS A 60 11.574 -18.021 -10.800 1.00 0.52 H new ATOM 200 N GLN A 61 10.223 -17.729 -7.531 1.00 43.51 N ATOM 201 CA GLN A 61 10.626 -16.796 -6.485 1.00 23.21 C ATOM 202 C GLN A 61 11.528 -15.702 -7.048 1.00 22.32 C ATOM 203 O GLN A 61 12.490 -15.284 -6.405 1.00 51.33 O ATOM 204 CB GLN A 61 11.350 -17.539 -5.361 1.00 12.53 C ATOM 205 CG GLN A 61 10.662 -18.830 -4.944 1.00 42.55 C ATOM 206 CD GLN A 61 11.388 -19.542 -3.820 1.00 71.22 C ATOM 207 OE1 GLN A 61 11.497 -19.024 -2.708 1.00 34.55 O ATOM 208 NE2 GLN A 61 11.892 -20.738 -4.105 1.00 31.52 N ATOM 0 H GLN A 61 9.217 -17.885 -7.593 1.00 43.51 H new ATOM 0 HA GLN A 61 9.726 -16.330 -6.084 1.00 23.21 H new ATOM 0 HB2 GLN A 61 12.366 -17.766 -5.682 1.00 12.53 H new ATOM 0 HB3 GLN A 61 11.429 -16.883 -4.494 1.00 12.53 H new ATOM 0 HG2 GLN A 61 9.642 -18.608 -4.630 1.00 42.55 H new ATOM 0 HG3 GLN A 61 10.593 -19.495 -5.805 1.00 42.55 H new ATOM 0 HE21 GLN A 61 11.778 -21.130 -5.040 1.00 31.52 H new ATOM 0 HE22 GLN A 61 12.392 -21.264 -3.389 1.00 31.52 H new ATOM 217 N ALA A 62 11.208 -15.242 -8.254 1.00 1.04 N ATOM 218 CA ALA A 62 11.988 -14.196 -8.903 1.00 52.20 C ATOM 219 C ALA A 62 11.084 -13.231 -9.664 1.00 32.12 C ATOM 220 O ALA A 62 9.865 -13.393 -9.684 1.00 64.33 O ATOM 221 CB ALA A 62 13.017 -14.809 -9.842 1.00 0.43 C ATOM 0 H ALA A 62 10.415 -15.577 -8.800 1.00 1.04 H new ATOM 0 HA ALA A 62 12.509 -13.633 -8.129 1.00 52.20 H new ATOM 0 HB1 ALA A 62 13.592 -14.016 -10.320 1.00 0.43 H new ATOM 0 HB2 ALA A 62 13.689 -15.453 -9.275 1.00 0.43 H new ATOM 0 HB3 ALA A 62 12.508 -15.398 -10.605 1.00 0.43 H new ATOM 227 N GLU A 63 11.693 -12.226 -10.288 1.00 25.35 N ATOM 228 CA GLU A 63 10.942 -11.234 -11.049 1.00 45.24 C ATOM 229 C GLU A 63 10.221 -11.884 -12.227 1.00 44.34 C ATOM 230 O GLU A 63 10.800 -12.690 -12.954 1.00 72.20 O ATOM 231 CB GLU A 63 11.875 -10.132 -11.552 1.00 30.13 C ATOM 232 CG GLU A 63 12.550 -10.461 -12.871 1.00 74.31 C ATOM 233 CD GLU A 63 13.770 -9.599 -13.135 1.00 74.53 C ATOM 234 OE1 GLU A 63 13.600 -8.472 -13.647 1.00 64.40 O1- ATOM 235 OE2 GLU A 63 14.893 -10.050 -12.829 1.00 63.22 O ATOM 0 H GLU A 63 12.702 -12.078 -10.281 1.00 25.35 H new ATOM 0 HA GLU A 63 10.196 -10.794 -10.387 1.00 45.24 H new ATOM 0 HB2 GLU A 63 11.306 -9.209 -11.665 1.00 30.13 H new ATOM 0 HB3 GLU A 63 12.640 -9.944 -10.799 1.00 30.13 H new ATOM 0 HG2 GLU A 63 12.845 -11.510 -12.872 1.00 74.31 H new ATOM 0 HG3 GLU A 63 11.835 -10.330 -13.683 1.00 74.31 H new ATOM 242 N ALA A 64 8.955 -11.525 -12.409 1.00 40.42 N ATOM 243 CA ALA A 64 8.155 -12.070 -13.499 1.00 71.12 C ATOM 244 C ALA A 64 7.798 -10.988 -14.513 1.00 63.30 C ATOM 245 O ALA A 64 6.975 -10.114 -14.240 1.00 74.24 O ATOM 246 CB ALA A 64 6.893 -12.722 -12.953 1.00 42.51 C ATOM 0 H ALA A 64 8.461 -10.859 -11.815 1.00 40.42 H new ATOM 0 HA ALA A 64 8.750 -12.827 -14.010 1.00 71.12 H new ATOM 0 HB1 ALA A 64 6.305 -13.125 -13.778 1.00 42.51 H new ATOM 0 HB2 ALA A 64 7.165 -13.530 -12.274 1.00 42.51 H new ATOM 0 HB3 ALA A 64 6.303 -11.979 -12.416 1.00 42.51 H new ATOM 252 N LYS A 65 8.423 -11.052 -15.683 1.00 4.23 N ATOM 253 CA LYS A 65 8.170 -10.078 -16.739 1.00 34.04 C ATOM 254 C LYS A 65 6.727 -10.162 -17.224 1.00 50.34 C ATOM 255 O LYS A 65 5.932 -9.249 -16.994 1.00 52.50 O ATOM 256 CB LYS A 65 9.127 -10.309 -17.913 1.00 33.11 C ATOM 257 CG LYS A 65 10.510 -9.721 -17.694 1.00 65.25 C ATOM 258 CD LYS A 65 11.498 -10.217 -18.736 1.00 72.22 C ATOM 259 CE LYS A 65 11.877 -11.671 -18.498 1.00 1.11 C ATOM 260 NZ LYS A 65 12.914 -12.138 -19.459 1.00 70.23 N1+ ATOM 0 H LYS A 65 9.108 -11.768 -15.925 1.00 4.23 H new ATOM 0 HA LYS A 65 8.339 -9.083 -16.328 1.00 34.04 H new ATOM 0 HB2 LYS A 65 9.221 -11.381 -18.089 1.00 33.11 H new ATOM 0 HB3 LYS A 65 8.695 -9.874 -18.814 1.00 33.11 H new ATOM 0 HG2 LYS A 65 10.454 -8.633 -17.733 1.00 65.25 H new ATOM 0 HG3 LYS A 65 10.866 -9.986 -16.698 1.00 65.25 H new ATOM 0 HD2 LYS A 65 11.064 -10.111 -19.730 1.00 72.22 H new ATOM 0 HD3 LYS A 65 12.395 -9.598 -18.712 1.00 72.22 H new ATOM 0 HE2 LYS A 65 12.247 -11.788 -17.479 1.00 1.11 H new ATOM 0 HE3 LYS A 65 10.989 -12.297 -18.589 1.00 1.11 H new ATOM 0 HZ1 LYS A 65 13.145 -13.133 -19.264 1.00 70.23 H new ATOM 0 HZ2 LYS A 65 12.552 -12.050 -20.430 1.00 70.23 H new ATOM 0 HZ3 LYS A 65 13.770 -11.557 -19.355 1.00 70.23 H new ATOM 274 N CYS A 66 6.394 -11.261 -17.891 1.00 10.10 N ATOM 275 CA CYS A 66 5.044 -11.463 -18.407 1.00 53.53 C ATOM 276 C CYS A 66 4.376 -12.654 -17.729 1.00 71.52 C ATOM 277 O CYS A 66 4.172 -13.709 -18.330 1.00 5.30 O ATOM 278 CB CYS A 66 5.081 -11.676 -19.920 1.00 13.31 C ATOM 279 SG CYS A 66 4.793 -10.175 -20.885 1.00 13.21 S ATOM 0 H CYS A 66 7.039 -12.026 -18.087 1.00 10.10 H new ATOM 0 HA CYS A 66 4.460 -10.569 -18.188 1.00 53.53 H new ATOM 0 HB2 CYS A 66 6.051 -12.090 -20.194 1.00 13.31 H new ATOM 0 HB3 CYS A 66 4.330 -12.418 -20.190 1.00 13.31 H new ATOM 0 HG CYS A 66 4.846 -10.457 -22.153 1.00 13.21 H new ATOM 285 N PRO A 67 4.028 -12.486 -16.444 1.00 71.22 N ATOM 286 CA PRO A 67 3.379 -13.537 -15.655 1.00 33.30 C ATOM 287 C PRO A 67 1.949 -13.803 -16.109 1.00 74.15 C ATOM 288 O PRO A 67 1.281 -12.917 -16.645 1.00 13.51 O ATOM 289 CB PRO A 67 3.393 -12.973 -14.232 1.00 32.03 C ATOM 290 CG PRO A 67 3.443 -11.495 -14.412 1.00 65.43 C ATOM 291 CD PRO A 67 4.242 -11.257 -15.662 1.00 74.22 C ATOM 0 HA PRO A 67 3.890 -14.495 -15.753 1.00 33.30 H new ATOM 0 HB2 PRO A 67 2.504 -13.275 -13.678 1.00 32.03 H new ATOM 0 HB3 PRO A 67 4.256 -13.333 -13.672 1.00 32.03 H new ATOM 0 HG2 PRO A 67 2.440 -11.079 -14.505 1.00 65.43 H new ATOM 0 HG3 PRO A 67 3.910 -11.013 -13.553 1.00 65.43 H new ATOM 0 HD2 PRO A 67 3.895 -10.374 -16.199 1.00 74.22 H new ATOM 0 HD3 PRO A 67 5.298 -11.101 -15.440 1.00 74.22 H new ATOM 299 N LYS A 68 1.482 -15.028 -15.892 1.00 51.51 N ATOM 300 CA LYS A 68 0.128 -15.410 -16.277 1.00 31.55 C ATOM 301 C LYS A 68 -0.634 -15.984 -15.088 1.00 71.35 C ATOM 302 O LYS A 68 -0.034 -16.485 -14.136 1.00 73.44 O ATOM 303 CB LYS A 68 0.170 -16.435 -17.414 1.00 23.44 C ATOM 304 CG LYS A 68 0.807 -15.907 -18.687 1.00 42.13 C ATOM 305 CD LYS A 68 0.117 -14.644 -19.173 1.00 1.12 C ATOM 306 CE LYS A 68 -1.353 -14.894 -19.476 1.00 51.45 C ATOM 307 NZ LYS A 68 -2.239 -14.333 -18.418 1.00 64.42 N1+ ATOM 0 H LYS A 68 2.021 -15.773 -15.452 1.00 51.51 H new ATOM 0 HA LYS A 68 -0.392 -14.516 -16.621 1.00 31.55 H new ATOM 0 HB2 LYS A 68 0.722 -17.314 -17.079 1.00 23.44 H new ATOM 0 HB3 LYS A 68 -0.846 -16.762 -17.635 1.00 23.44 H new ATOM 0 HG2 LYS A 68 1.862 -15.700 -18.508 1.00 42.13 H new ATOM 0 HG3 LYS A 68 0.759 -16.671 -19.463 1.00 42.13 H new ATOM 0 HD2 LYS A 68 0.206 -13.865 -18.416 1.00 1.12 H new ATOM 0 HD3 LYS A 68 0.617 -14.277 -20.069 1.00 1.12 H new ATOM 0 HE2 LYS A 68 -1.607 -14.447 -20.437 1.00 51.45 H new ATOM 0 HE3 LYS A 68 -1.528 -15.966 -19.566 1.00 51.45 H new ATOM 0 HZ1 LYS A 68 -3.100 -13.947 -18.855 1.00 64.42 H new ATOM 0 HZ2 LYS A 68 -2.498 -15.085 -17.747 1.00 64.42 H new ATOM 0 HZ3 LYS A 68 -1.738 -13.575 -17.912 1.00 64.42 H new ATOM 321 N LEU A 69 -1.959 -15.911 -15.149 1.00 30.23 N ATOM 322 CA LEU A 69 -2.804 -16.425 -14.077 1.00 41.12 C ATOM 323 C LEU A 69 -3.400 -17.778 -14.455 1.00 43.35 C ATOM 324 O LEU A 69 -4.472 -17.849 -15.058 1.00 31.31 O ATOM 325 CB LEU A 69 -3.923 -15.432 -13.762 1.00 22.32 C ATOM 326 CG LEU A 69 -3.481 -14.069 -13.227 1.00 3.12 C ATOM 327 CD1 LEU A 69 -4.689 -13.223 -12.856 1.00 31.44 C ATOM 328 CD2 LEU A 69 -2.558 -14.241 -12.030 1.00 10.23 C ATOM 0 H LEU A 69 -2.471 -15.501 -15.930 1.00 30.23 H new ATOM 0 HA LEU A 69 -2.184 -16.557 -13.190 1.00 41.12 H new ATOM 0 HB2 LEU A 69 -4.506 -15.272 -14.669 1.00 22.32 H new ATOM 0 HB3 LEU A 69 -4.591 -15.888 -13.031 1.00 22.32 H new ATOM 0 HG LEU A 69 -2.931 -13.552 -14.013 1.00 3.12 H new ATOM 0 HD11 LEU A 69 -4.354 -12.257 -12.477 1.00 31.44 H new ATOM 0 HD12 LEU A 69 -5.312 -13.071 -13.738 1.00 31.44 H new ATOM 0 HD13 LEU A 69 -5.268 -13.733 -12.086 1.00 31.44 H new ATOM 0 HD21 LEU A 69 -2.253 -13.261 -11.662 1.00 10.23 H new ATOM 0 HD22 LEU A 69 -3.083 -14.778 -11.240 1.00 10.23 H new ATOM 0 HD23 LEU A 69 -1.676 -14.807 -12.329 1.00 10.23 H new ATOM 340 N LEU A 70 -2.701 -18.848 -14.094 1.00 51.33 N ATOM 341 CA LEU A 70 -3.163 -20.200 -14.393 1.00 14.55 C ATOM 342 C LEU A 70 -4.622 -20.378 -13.989 1.00 40.42 C ATOM 343 O LEU A 70 -5.176 -19.603 -13.211 1.00 5.25 O ATOM 344 CB LEU A 70 -2.291 -21.229 -13.671 1.00 71.05 C ATOM 345 CG LEU A 70 -0.988 -21.614 -14.371 1.00 2.00 C ATOM 346 CD1 LEU A 70 -0.137 -22.494 -13.467 1.00 60.31 C ATOM 347 CD2 LEU A 70 -1.277 -22.320 -15.687 1.00 51.35 C ATOM 0 H LEU A 70 -1.813 -18.807 -13.594 1.00 51.33 H new ATOM 0 HA LEU A 70 -3.082 -20.356 -15.469 1.00 14.55 H new ATOM 0 HB2 LEU A 70 -2.048 -20.840 -12.683 1.00 71.05 H new ATOM 0 HB3 LEU A 70 -2.880 -22.134 -13.521 1.00 71.05 H new ATOM 0 HG LEU A 70 -0.431 -20.702 -14.587 1.00 2.00 H new ATOM 0 HD11 LEU A 70 0.787 -22.759 -13.982 1.00 60.31 H new ATOM 0 HD12 LEU A 70 0.100 -21.953 -12.551 1.00 60.31 H new ATOM 0 HD13 LEU A 70 -0.687 -23.402 -13.220 1.00 60.31 H new ATOM 0 HD21 LEU A 70 -0.337 -22.586 -16.171 1.00 51.35 H new ATOM 0 HD22 LEU A 70 -1.856 -23.224 -15.496 1.00 51.35 H new ATOM 0 HD23 LEU A 70 -1.845 -21.656 -16.339 1.00 51.35 H new ATOM 359 N PRO A 71 -5.262 -21.427 -14.529 1.00 63.23 N ATOM 360 CA PRO A 71 -6.665 -21.735 -14.236 1.00 55.22 C ATOM 361 C PRO A 71 -6.865 -22.223 -12.806 1.00 61.51 C ATOM 362 O PRO A 71 -7.996 -22.404 -12.354 1.00 35.51 O ATOM 363 CB PRO A 71 -6.999 -22.848 -15.233 1.00 23.24 C ATOM 364 CG PRO A 71 -5.690 -23.491 -15.536 1.00 53.10 C ATOM 365 CD PRO A 71 -4.664 -22.394 -15.465 1.00 73.50 C ATOM 0 HA PRO A 71 -7.303 -20.856 -14.328 1.00 55.22 H new ATOM 0 HB2 PRO A 71 -7.702 -23.563 -14.807 1.00 23.24 H new ATOM 0 HB3 PRO A 71 -7.461 -22.446 -16.135 1.00 23.24 H new ATOM 0 HG2 PRO A 71 -5.468 -24.281 -14.818 1.00 53.10 H new ATOM 0 HG3 PRO A 71 -5.701 -23.952 -16.524 1.00 53.10 H new ATOM 0 HD2 PRO A 71 -3.705 -22.764 -15.102 1.00 73.50 H new ATOM 0 HD3 PRO A 71 -4.484 -21.948 -16.443 1.00 73.50 H new ATOM 373 N CYS A 72 -5.761 -22.435 -12.098 1.00 71.12 N ATOM 374 CA CYS A 72 -5.815 -22.902 -10.718 1.00 70.55 C ATOM 375 C CYS A 72 -5.583 -21.751 -9.743 1.00 51.15 C ATOM 376 O CYS A 72 -5.352 -21.967 -8.554 1.00 41.54 O ATOM 377 CB CYS A 72 -4.772 -23.998 -10.488 1.00 4.52 C ATOM 378 SG CYS A 72 -5.062 -25.515 -11.454 1.00 21.22 S ATOM 0 H CYS A 72 -4.817 -22.291 -12.457 1.00 71.12 H new ATOM 0 HA CYS A 72 -6.809 -23.311 -10.538 1.00 70.55 H new ATOM 0 HB2 CYS A 72 -3.786 -23.605 -10.737 1.00 4.52 H new ATOM 0 HB3 CYS A 72 -4.756 -24.252 -9.428 1.00 4.52 H new ATOM 383 N LEU A 73 -5.645 -20.528 -10.257 1.00 61.02 N ATOM 384 CA LEU A 73 -5.443 -19.341 -9.434 1.00 5.33 C ATOM 385 C LEU A 73 -3.987 -19.227 -8.992 1.00 73.21 C ATOM 386 O LEU A 73 -3.695 -18.750 -7.895 1.00 64.43 O ATOM 387 CB LEU A 73 -6.357 -19.384 -8.208 1.00 41.20 C ATOM 388 CG LEU A 73 -7.786 -19.871 -8.454 1.00 34.52 C ATOM 389 CD1 LEU A 73 -8.662 -19.584 -7.245 1.00 33.02 C ATOM 390 CD2 LEU A 73 -8.364 -19.219 -9.701 1.00 34.11 C ATOM 0 H LEU A 73 -5.834 -20.332 -11.240 1.00 61.02 H new ATOM 0 HA LEU A 73 -5.692 -18.466 -10.035 1.00 5.33 H new ATOM 0 HB2 LEU A 73 -5.898 -20.030 -7.460 1.00 41.20 H new ATOM 0 HB3 LEU A 73 -6.404 -18.383 -7.779 1.00 41.20 H new ATOM 0 HG LEU A 73 -7.761 -20.949 -8.611 1.00 34.52 H new ATOM 0 HD11 LEU A 73 -9.675 -19.937 -7.438 1.00 33.02 H new ATOM 0 HD12 LEU A 73 -8.258 -20.098 -6.373 1.00 33.02 H new ATOM 0 HD13 LEU A 73 -8.682 -18.511 -7.056 1.00 33.02 H new ATOM 0 HD21 LEU A 73 -9.381 -19.577 -9.861 1.00 34.11 H new ATOM 0 HD22 LEU A 73 -8.376 -18.137 -9.573 1.00 34.11 H new ATOM 0 HD23 LEU A 73 -7.749 -19.476 -10.564 1.00 34.11 H new ATOM 402 N HIS A 74 -3.076 -19.666 -9.855 1.00 41.20 N ATOM 403 CA HIS A 74 -1.650 -19.610 -9.556 1.00 74.33 C ATOM 404 C HIS A 74 -0.993 -18.424 -10.257 1.00 0.23 C ATOM 405 O HIS A 74 -1.570 -17.831 -11.169 1.00 25.31 O ATOM 406 CB HIS A 74 -0.966 -20.911 -9.981 1.00 25.42 C ATOM 407 CG HIS A 74 -1.590 -22.136 -9.387 1.00 44.20 C ATOM 408 ND1 HIS A 74 -2.480 -22.093 -8.334 1.00 75.22 N ATOM 409 CD2 HIS A 74 -1.450 -23.444 -9.707 1.00 64.53 C ATOM 410 CE1 HIS A 74 -2.858 -23.322 -8.031 1.00 34.21 C ATOM 411 NE2 HIS A 74 -2.248 -24.160 -8.848 1.00 21.42 N ATOM 0 H HIS A 74 -3.300 -20.064 -10.767 1.00 41.20 H new ATOM 0 HA HIS A 74 -1.535 -19.482 -8.480 1.00 74.33 H new ATOM 0 HB2 HIS A 74 -0.995 -20.989 -11.068 1.00 25.42 H new ATOM 0 HB3 HIS A 74 0.084 -20.871 -9.692 1.00 25.42 H new ATOM 0 HD2 HIS A 74 -0.827 -23.849 -10.491 1.00 64.53 H new ATOM 0 HE1 HIS A 74 -3.549 -23.595 -7.247 1.00 34.21 H new ATOM 0 HE2 HIS A 74 -2.352 -25.175 -8.843 1.00 21.42 H new ATOM 419 N THR A 75 0.216 -18.083 -9.825 1.00 23.04 N ATOM 420 CA THR A 75 0.951 -16.968 -10.409 1.00 52.33 C ATOM 421 C THR A 75 2.331 -17.406 -10.884 1.00 74.21 C ATOM 422 O THR A 75 3.241 -17.610 -10.079 1.00 70.44 O ATOM 423 CB THR A 75 1.110 -15.812 -9.403 1.00 73.33 C ATOM 424 OG1 THR A 75 -0.177 -15.350 -8.981 1.00 31.31 O ATOM 425 CG2 THR A 75 1.891 -14.662 -10.020 1.00 64.42 C ATOM 0 H THR A 75 0.708 -18.563 -9.072 1.00 23.04 H new ATOM 0 HA THR A 75 0.370 -16.620 -11.263 1.00 52.33 H new ATOM 0 HB THR A 75 1.663 -16.183 -8.540 1.00 73.33 H new ATOM 0 HG1 THR A 75 -0.589 -16.019 -8.395 1.00 31.31 H new ATOM 0 HG21 THR A 75 1.991 -13.858 -9.291 1.00 64.42 H new ATOM 0 HG22 THR A 75 2.881 -15.011 -10.313 1.00 64.42 H new ATOM 0 HG23 THR A 75 1.362 -14.293 -10.898 1.00 64.42 H new ATOM 433 N LEU A 76 2.481 -17.551 -12.196 1.00 34.40 N ATOM 434 CA LEU A 76 3.753 -17.966 -12.780 1.00 40.21 C ATOM 435 C LEU A 76 4.339 -16.859 -13.650 1.00 5.30 C ATOM 436 O LEU A 76 3.691 -15.841 -13.900 1.00 51.52 O ATOM 437 CB LEU A 76 3.564 -19.236 -13.610 1.00 12.24 C ATOM 438 CG LEU A 76 4.090 -20.530 -12.986 1.00 11.34 C ATOM 439 CD1 LEU A 76 3.322 -20.860 -11.715 1.00 21.43 C ATOM 440 CD2 LEU A 76 3.997 -21.678 -13.981 1.00 14.23 C ATOM 0 H LEU A 76 1.738 -17.388 -12.876 1.00 34.40 H new ATOM 0 HA LEU A 76 4.449 -18.171 -11.967 1.00 40.21 H new ATOM 0 HB2 LEU A 76 2.500 -19.360 -13.811 1.00 12.24 H new ATOM 0 HB3 LEU A 76 4.056 -19.094 -14.572 1.00 12.24 H new ATOM 0 HG LEU A 76 5.138 -20.386 -12.725 1.00 11.34 H new ATOM 0 HD11 LEU A 76 3.710 -21.783 -11.285 1.00 21.43 H new ATOM 0 HD12 LEU A 76 3.440 -20.048 -10.997 1.00 21.43 H new ATOM 0 HD13 LEU A 76 2.265 -20.985 -11.951 1.00 21.43 H new ATOM 0 HD21 LEU A 76 4.375 -22.590 -13.520 1.00 14.23 H new ATOM 0 HD22 LEU A 76 2.957 -21.823 -14.273 1.00 14.23 H new ATOM 0 HD23 LEU A 76 4.592 -21.444 -14.864 1.00 14.23 H new ATOM 452 N CYS A 77 5.568 -17.063 -14.110 1.00 43.15 N ATOM 453 CA CYS A 77 6.243 -16.084 -14.954 1.00 32.23 C ATOM 454 C CYS A 77 6.172 -16.491 -16.423 1.00 12.03 C ATOM 455 O CYS A 77 5.800 -17.619 -16.748 1.00 5.32 O ATOM 456 CB CYS A 77 7.704 -15.931 -14.525 1.00 61.44 C ATOM 457 SG CYS A 77 8.670 -17.472 -14.618 1.00 71.55 S ATOM 0 H CYS A 77 6.118 -17.899 -13.912 1.00 43.15 H new ATOM 0 HA CYS A 77 5.735 -15.127 -14.836 1.00 32.23 H new ATOM 0 HB2 CYS A 77 8.179 -15.178 -15.154 1.00 61.44 H new ATOM 0 HB3 CYS A 77 7.734 -15.557 -13.502 1.00 61.44 H new ATOM 462 N SER A 78 6.530 -15.564 -17.306 1.00 13.25 N ATOM 463 CA SER A 78 6.505 -15.825 -18.741 1.00 42.21 C ATOM 464 C SER A 78 7.323 -17.067 -19.082 1.00 53.44 C ATOM 465 O SER A 78 6.812 -18.017 -19.673 1.00 25.10 O ATOM 466 CB SER A 78 7.043 -14.618 -19.509 1.00 42.13 C ATOM 467 OG SER A 78 8.422 -14.419 -19.245 1.00 0.33 O ATOM 0 H SER A 78 6.841 -14.626 -17.053 1.00 13.25 H new ATOM 0 HA SER A 78 5.471 -16.002 -19.036 1.00 42.21 H new ATOM 0 HB2 SER A 78 6.892 -14.766 -20.578 1.00 42.13 H new ATOM 0 HB3 SER A 78 6.483 -13.726 -19.229 1.00 42.13 H new ATOM 0 HG SER A 78 8.743 -13.642 -19.749 1.00 0.33 H new ATOM 473 N GLY A 79 8.598 -17.049 -18.705 1.00 14.42 N ATOM 474 CA GLY A 79 9.468 -18.179 -18.980 1.00 2.33 C ATOM 475 C GLY A 79 8.875 -19.494 -18.512 1.00 40.01 C ATOM 476 O GLY A 79 9.113 -20.539 -19.117 1.00 43.32 O ATOM 0 H GLY A 79 9.044 -16.274 -18.215 1.00 14.42 H new ATOM 0 HA2 GLY A 79 9.662 -18.232 -20.051 1.00 2.33 H new ATOM 0 HA3 GLY A 79 10.429 -18.022 -18.489 1.00 2.33 H new ATOM 480 N CYS A 80 8.103 -19.443 -17.433 1.00 74.13 N ATOM 481 CA CYS A 80 7.477 -20.638 -16.883 1.00 55.40 C ATOM 482 C CYS A 80 6.359 -21.136 -17.796 1.00 11.24 C ATOM 483 O CYS A 80 6.118 -22.340 -17.901 1.00 73.32 O ATOM 484 CB CYS A 80 6.920 -20.353 -15.487 1.00 40.43 C ATOM 485 SG CYS A 80 8.003 -20.902 -14.128 1.00 1.33 S ATOM 0 H CYS A 80 7.896 -18.585 -16.921 1.00 74.13 H new ATOM 0 HA CYS A 80 8.238 -21.415 -16.811 1.00 55.40 H new ATOM 0 HB2 CYS A 80 6.746 -19.281 -15.389 1.00 40.43 H new ATOM 0 HB3 CYS A 80 5.952 -20.844 -15.387 1.00 40.43 H new ATOM 490 N LEU A 81 5.680 -20.202 -18.452 1.00 74.23 N ATOM 491 CA LEU A 81 4.587 -20.544 -19.357 1.00 33.24 C ATOM 492 C LEU A 81 5.109 -21.282 -20.586 1.00 53.02 C ATOM 493 O LEU A 81 4.526 -22.275 -21.020 1.00 11.11 O ATOM 494 CB LEU A 81 3.839 -19.281 -19.785 1.00 14.30 C ATOM 495 CG LEU A 81 2.553 -18.970 -19.019 1.00 2.33 C ATOM 496 CD1 LEU A 81 1.492 -20.021 -19.308 1.00 44.53 C ATOM 497 CD2 LEU A 81 2.829 -18.887 -17.525 1.00 1.22 C ATOM 0 H LEU A 81 5.866 -19.202 -18.375 1.00 74.23 H new ATOM 0 HA LEU A 81 3.900 -21.202 -18.825 1.00 33.24 H new ATOM 0 HB2 LEU A 81 4.514 -18.431 -19.682 1.00 14.30 H new ATOM 0 HB3 LEU A 81 3.595 -19.369 -20.844 1.00 14.30 H new ATOM 0 HG LEU A 81 2.179 -18.003 -19.354 1.00 2.33 H new ATOM 0 HD11 LEU A 81 0.584 -19.783 -18.754 1.00 44.53 H new ATOM 0 HD12 LEU A 81 1.273 -20.033 -20.376 1.00 44.53 H new ATOM 0 HD13 LEU A 81 1.858 -21.001 -19.001 1.00 44.53 H new ATOM 0 HD21 LEU A 81 1.902 -18.665 -16.996 1.00 1.22 H new ATOM 0 HD22 LEU A 81 3.228 -19.839 -17.175 1.00 1.22 H new ATOM 0 HD23 LEU A 81 3.555 -18.097 -17.332 1.00 1.22 H new ATOM 509 N GLU A 82 6.213 -20.790 -21.141 1.00 51.22 N ATOM 510 CA GLU A 82 6.813 -21.403 -22.320 1.00 5.33 C ATOM 511 C GLU A 82 7.625 -22.637 -21.936 1.00 72.53 C ATOM 512 O GLU A 82 7.443 -23.713 -22.505 1.00 64.12 O ATOM 513 CB GLU A 82 7.707 -20.397 -23.047 1.00 33.52 C ATOM 514 CG GLU A 82 7.692 -20.549 -24.558 1.00 42.42 C ATOM 515 CD GLU A 82 8.673 -19.623 -25.249 1.00 31.41 C ATOM 516 OE1 GLU A 82 9.852 -19.593 -24.834 1.00 32.33 O ATOM 517 OE2 GLU A 82 8.264 -18.927 -26.202 1.00 51.24 O1- ATOM 0 H GLU A 82 6.709 -19.970 -20.793 1.00 51.22 H new ATOM 0 HA GLU A 82 6.008 -21.711 -22.988 1.00 5.33 H new ATOM 0 HB2 GLU A 82 7.388 -19.387 -22.789 1.00 33.52 H new ATOM 0 HB3 GLU A 82 8.731 -20.509 -22.689 1.00 33.52 H new ATOM 0 HG2 GLU A 82 7.928 -21.581 -24.818 1.00 42.42 H new ATOM 0 HG3 GLU A 82 6.687 -20.349 -24.929 1.00 42.42 H new ATOM 524 N ALA A 83 8.521 -22.472 -20.970 1.00 22.03 N ATOM 525 CA ALA A 83 9.360 -23.571 -20.509 1.00 12.22 C ATOM 526 C ALA A 83 8.520 -24.672 -19.872 1.00 72.44 C ATOM 527 O ALA A 83 8.591 -25.833 -20.276 1.00 14.22 O ATOM 528 CB ALA A 83 10.404 -23.063 -19.525 1.00 34.22 C ATOM 0 H ALA A 83 8.685 -21.587 -20.491 1.00 22.03 H new ATOM 0 HA ALA A 83 9.870 -23.994 -21.375 1.00 12.22 H new ATOM 0 HB1 ALA A 83 11.023 -23.895 -19.189 1.00 34.22 H new ATOM 0 HB2 ALA A 83 11.032 -22.317 -20.013 1.00 34.22 H new ATOM 0 HB3 ALA A 83 9.906 -22.612 -18.667 1.00 34.22 H new ATOM 534 N SER A 84 7.726 -24.301 -18.872 1.00 72.32 N ATOM 535 CA SER A 84 6.877 -25.259 -18.175 1.00 44.33 C ATOM 536 C SER A 84 5.563 -25.465 -18.924 1.00 12.43 C ATOM 537 O SER A 84 4.606 -26.015 -18.381 1.00 63.40 O ATOM 538 CB SER A 84 6.595 -24.780 -16.750 1.00 14.11 C ATOM 539 OG SER A 84 7.568 -23.842 -16.325 1.00 53.33 O ATOM 0 H SER A 84 7.653 -23.344 -18.527 1.00 72.32 H new ATOM 0 HA SER A 84 7.405 -26.212 -18.133 1.00 44.33 H new ATOM 0 HB2 SER A 84 5.605 -24.327 -16.705 1.00 14.11 H new ATOM 0 HB3 SER A 84 6.587 -25.633 -16.071 1.00 14.11 H new ATOM 0 HG SER A 84 7.364 -23.550 -15.412 1.00 53.33 H new ATOM 545 N GLY A 85 5.526 -25.018 -20.176 1.00 50.03 N ATOM 546 CA GLY A 85 4.326 -25.163 -20.979 1.00 74.04 C ATOM 547 C GLY A 85 3.060 -24.945 -20.176 1.00 52.42 C ATOM 548 O GLY A 85 2.134 -25.753 -20.233 1.00 62.41 O ATOM 0 H GLY A 85 6.305 -24.559 -20.648 1.00 50.03 H new ATOM 0 HA2 GLY A 85 4.356 -24.451 -21.804 1.00 74.04 H new ATOM 0 HA3 GLY A 85 4.306 -26.160 -21.419 1.00 74.04 H new ATOM 552 N MET A 86 3.019 -23.851 -19.422 1.00 34.54 N ATOM 553 CA MET A 86 1.857 -23.531 -18.602 1.00 13.24 C ATOM 554 C MET A 86 1.597 -24.629 -17.576 1.00 52.21 C ATOM 555 O MET A 86 0.447 -24.942 -17.268 1.00 42.24 O ATOM 556 CB MET A 86 0.622 -23.338 -19.484 1.00 51.13 C ATOM 557 CG MET A 86 0.945 -22.831 -20.880 1.00 30.02 C ATOM 558 SD MET A 86 -0.450 -21.993 -21.655 1.00 53.03 S ATOM 559 CE MET A 86 -1.001 -23.249 -22.807 1.00 45.25 C ATOM 0 H MET A 86 3.777 -23.171 -19.362 1.00 34.54 H new ATOM 0 HA MET A 86 2.063 -22.602 -18.070 1.00 13.24 H new ATOM 0 HB2 MET A 86 0.092 -24.287 -19.565 1.00 51.13 H new ATOM 0 HB3 MET A 86 -0.055 -22.635 -18.999 1.00 51.13 H new ATOM 0 HG2 MET A 86 1.791 -22.146 -20.827 1.00 30.02 H new ATOM 0 HG3 MET A 86 1.253 -23.670 -21.505 1.00 30.02 H new ATOM 0 HE1 MET A 86 -1.862 -22.879 -23.364 1.00 45.25 H new ATOM 0 HE2 MET A 86 -0.194 -23.485 -23.501 1.00 45.25 H new ATOM 0 HE3 MET A 86 -1.283 -24.148 -22.258 1.00 45.25 H new ATOM 569 N GLN A 87 2.672 -25.209 -17.050 1.00 41.51 N ATOM 570 CA GLN A 87 2.558 -26.271 -16.059 1.00 40.04 C ATOM 571 C GLN A 87 1.819 -25.782 -14.817 1.00 23.31 C ATOM 572 O GLN A 87 1.222 -24.705 -14.822 1.00 74.24 O ATOM 573 CB GLN A 87 3.944 -26.788 -15.672 1.00 51.30 C ATOM 574 CG GLN A 87 4.135 -28.273 -15.937 1.00 3.43 C ATOM 575 CD GLN A 87 4.856 -28.546 -17.242 1.00 4.24 C ATOM 576 OE1 GLN A 87 4.226 -28.725 -18.285 1.00 2.32 O ATOM 577 NE2 GLN A 87 6.182 -28.578 -17.192 1.00 53.13 N ATOM 0 H GLN A 87 3.631 -24.961 -17.294 1.00 41.51 H new ATOM 0 HA GLN A 87 1.985 -27.086 -16.502 1.00 40.04 H new ATOM 0 HB2 GLN A 87 4.699 -26.229 -16.225 1.00 51.30 H new ATOM 0 HB3 GLN A 87 4.113 -26.592 -14.613 1.00 51.30 H new ATOM 0 HG2 GLN A 87 4.699 -28.715 -15.116 1.00 3.43 H new ATOM 0 HG3 GLN A 87 3.161 -28.763 -15.955 1.00 3.43 H new ATOM 0 HE21 GLN A 87 6.663 -28.424 -16.306 1.00 53.13 H new ATOM 0 HE22 GLN A 87 6.720 -28.756 -18.040 1.00 53.13 H new ATOM 586 N CYS A 88 1.864 -26.579 -13.756 1.00 12.41 N ATOM 587 CA CYS A 88 1.200 -26.228 -12.506 1.00 24.20 C ATOM 588 C CYS A 88 2.085 -26.560 -11.308 1.00 10.21 C ATOM 589 O CYS A 88 1.813 -27.483 -10.541 1.00 45.32 O ATOM 590 CB CYS A 88 -0.134 -26.968 -12.388 1.00 52.14 C ATOM 591 SG CYS A 88 -1.581 -25.870 -12.247 1.00 5.41 S ATOM 0 H CYS A 88 2.354 -27.474 -13.736 1.00 12.41 H new ATOM 0 HA CYS A 88 1.014 -25.154 -12.512 1.00 24.20 H new ATOM 0 HB2 CYS A 88 -0.261 -27.609 -13.261 1.00 52.14 H new ATOM 0 HB3 CYS A 88 -0.100 -27.621 -11.516 1.00 52.14 H new ATOM 596 N PRO A 89 3.170 -25.788 -11.143 1.00 55.04 N ATOM 597 CA PRO A 89 4.116 -25.980 -10.039 1.00 1.44 C ATOM 598 C PRO A 89 3.518 -25.598 -8.690 1.00 12.10 C ATOM 599 O PRO A 89 3.709 -26.299 -7.695 1.00 54.21 O ATOM 600 CB PRO A 89 5.272 -25.041 -10.397 1.00 11.11 C ATOM 601 CG PRO A 89 4.655 -23.989 -11.251 1.00 42.22 C ATOM 602 CD PRO A 89 3.555 -24.669 -12.019 1.00 62.02 C ATOM 0 HA PRO A 89 4.413 -27.023 -9.932 1.00 1.44 H new ATOM 0 HB2 PRO A 89 5.724 -24.611 -9.503 1.00 11.11 H new ATOM 0 HB3 PRO A 89 6.062 -25.571 -10.930 1.00 11.11 H new ATOM 0 HG2 PRO A 89 4.260 -23.175 -10.643 1.00 42.22 H new ATOM 0 HG3 PRO A 89 5.391 -23.554 -11.927 1.00 42.22 H new ATOM 0 HD2 PRO A 89 2.718 -23.996 -12.203 1.00 62.02 H new ATOM 0 HD3 PRO A 89 3.901 -25.020 -12.991 1.00 62.02 H new ATOM 610 N ILE A 90 2.795 -24.483 -8.662 1.00 11.12 N ATOM 611 CA ILE A 90 2.168 -24.011 -7.434 1.00 5.13 C ATOM 612 C ILE A 90 1.114 -24.995 -6.941 1.00 44.54 C ATOM 613 O ILE A 90 0.682 -24.933 -5.789 1.00 34.43 O ATOM 614 CB ILE A 90 1.515 -22.630 -7.631 1.00 4.42 C ATOM 615 CG1 ILE A 90 2.467 -21.693 -8.376 1.00 63.44 C ATOM 616 CG2 ILE A 90 1.118 -22.035 -6.289 1.00 32.34 C ATOM 617 CD1 ILE A 90 3.824 -21.563 -7.720 1.00 22.01 C ATOM 0 H ILE A 90 2.629 -23.890 -9.475 1.00 11.12 H new ATOM 0 HA ILE A 90 2.958 -23.927 -6.688 1.00 5.13 H new ATOM 0 HB ILE A 90 0.614 -22.753 -8.232 1.00 4.42 H new ATOM 0 HG12 ILE A 90 2.599 -22.057 -9.395 1.00 63.44 H new ATOM 0 HG13 ILE A 90 2.011 -20.706 -8.447 1.00 63.44 H new ATOM 0 HG21 ILE A 90 0.658 -21.059 -6.445 1.00 32.34 H new ATOM 0 HG22 ILE A 90 0.407 -22.696 -5.794 1.00 32.34 H new ATOM 0 HG23 ILE A 90 2.004 -21.922 -5.664 1.00 32.34 H new ATOM 0 HD11 ILE A 90 4.446 -20.884 -8.303 1.00 22.01 H new ATOM 0 HD12 ILE A 90 3.704 -21.170 -6.711 1.00 22.01 H new ATOM 0 HD13 ILE A 90 4.301 -22.542 -7.674 1.00 22.01 H new ATOM 629 N CYS A 91 0.703 -25.903 -7.819 1.00 70.22 N ATOM 630 CA CYS A 91 -0.300 -26.903 -7.475 1.00 71.14 C ATOM 631 C CYS A 91 0.264 -27.922 -6.489 1.00 25.43 C ATOM 632 O CYS A 91 -0.473 -28.744 -5.943 1.00 73.44 O ATOM 633 CB CYS A 91 -0.796 -27.615 -8.735 1.00 11.22 C ATOM 634 SG CYS A 91 -2.576 -27.403 -9.057 1.00 42.40 S ATOM 0 H CYS A 91 1.050 -25.967 -8.776 1.00 70.22 H new ATOM 0 HA CYS A 91 -1.139 -26.392 -7.002 1.00 71.14 H new ATOM 0 HB2 CYS A 91 -0.236 -27.244 -9.593 1.00 11.22 H new ATOM 0 HB3 CYS A 91 -0.578 -28.679 -8.648 1.00 11.22 H new ATOM 0 HG CYS A 91 -2.743 -26.555 -10.028 1.00 42.40 H new ATOM 639 N GLN A 92 1.573 -27.862 -6.269 1.00 5.34 N ATOM 640 CA GLN A 92 2.234 -28.781 -5.350 1.00 75.44 C ATOM 641 C GLN A 92 1.983 -28.378 -3.901 1.00 11.14 C ATOM 642 O GLN A 92 1.777 -29.228 -3.036 1.00 3.33 O ATOM 643 CB GLN A 92 3.739 -28.817 -5.628 1.00 20.43 C ATOM 644 CG GLN A 92 4.091 -29.356 -7.004 1.00 20.42 C ATOM 645 CD GLN A 92 3.713 -30.814 -7.174 1.00 10.20 C ATOM 646 OE1 GLN A 92 3.881 -31.622 -6.260 1.00 32.34 O ATOM 647 NE2 GLN A 92 3.198 -31.160 -8.348 1.00 72.25 N ATOM 0 H GLN A 92 2.196 -27.188 -6.714 1.00 5.34 H new ATOM 0 HA GLN A 92 1.817 -29.776 -5.508 1.00 75.44 H new ATOM 0 HB2 GLN A 92 4.143 -27.809 -5.528 1.00 20.43 H new ATOM 0 HB3 GLN A 92 4.225 -29.432 -4.871 1.00 20.43 H new ATOM 0 HG2 GLN A 92 3.583 -28.762 -7.764 1.00 20.42 H new ATOM 0 HG3 GLN A 92 5.162 -29.240 -7.172 1.00 20.42 H new ATOM 0 HE21 GLN A 92 3.076 -30.458 -9.078 1.00 72.25 H new ATOM 0 HE22 GLN A 92 2.924 -32.128 -8.520 1.00 72.25 H new ATOM 656 N ALA A 93 2.001 -27.073 -3.643 1.00 72.13 N ATOM 657 CA ALA A 93 1.772 -26.558 -2.300 1.00 63.31 C ATOM 658 C ALA A 93 0.436 -25.829 -2.211 1.00 11.30 C ATOM 659 O ALA A 93 0.108 -24.981 -3.041 1.00 21.23 O ATOM 660 CB ALA A 93 2.909 -25.632 -1.889 1.00 33.02 C ATOM 0 H ALA A 93 2.172 -26.355 -4.347 1.00 72.13 H new ATOM 0 HA ALA A 93 1.740 -27.404 -1.614 1.00 63.31 H new ATOM 0 HB1 ALA A 93 2.725 -25.254 -0.883 1.00 33.02 H new ATOM 0 HB2 ALA A 93 3.850 -26.182 -1.904 1.00 33.02 H new ATOM 0 HB3 ALA A 93 2.967 -24.796 -2.586 1.00 33.02 H new ATOM 666 N PRO A 94 -0.355 -26.164 -1.181 1.00 43.43 N ATOM 667 CA PRO A 94 -1.670 -25.554 -0.961 1.00 23.44 C ATOM 668 C PRO A 94 -1.565 -24.094 -0.531 1.00 64.23 C ATOM 669 O PRO A 94 -2.007 -23.725 0.557 1.00 52.23 O ATOM 670 CB PRO A 94 -2.270 -26.402 0.164 1.00 62.23 C ATOM 671 CG PRO A 94 -1.093 -26.960 0.887 1.00 63.34 C ATOM 672 CD PRO A 94 -0.028 -27.167 -0.153 1.00 65.42 C ATOM 0 HA PRO A 94 -2.272 -25.541 -1.870 1.00 23.44 H new ATOM 0 HB2 PRO A 94 -2.892 -25.799 0.826 1.00 62.23 H new ATOM 0 HB3 PRO A 94 -2.903 -27.195 -0.233 1.00 62.23 H new ATOM 0 HG2 PRO A 94 -0.752 -26.276 1.664 1.00 63.34 H new ATOM 0 HG3 PRO A 94 -1.346 -27.899 1.378 1.00 63.34 H new ATOM 0 HD2 PRO A 94 0.970 -27.011 0.257 1.00 65.42 H new ATOM 0 HD3 PRO A 94 -0.052 -28.179 -0.557 1.00 65.42 H new ATOM 680 N TRP A 95 -0.979 -23.270 -1.392 1.00 53.35 N ATOM 681 CA TRP A 95 -0.819 -21.850 -1.101 1.00 41.42 C ATOM 682 C TRP A 95 -2.159 -21.209 -0.760 1.00 62.21 C ATOM 683 O TRP A 95 -3.224 -21.711 -1.120 1.00 71.12 O ATOM 684 CB TRP A 95 -0.184 -21.133 -2.293 1.00 72.32 C ATOM 685 CG TRP A 95 -1.189 -20.513 -3.217 1.00 21.22 C ATOM 686 CD1 TRP A 95 -1.292 -19.193 -3.549 1.00 30.40 C ATOM 687 CD2 TRP A 95 -2.232 -21.190 -3.926 1.00 13.22 C ATOM 688 NE1 TRP A 95 -2.337 -19.008 -4.420 1.00 12.54 N ATOM 689 CE2 TRP A 95 -2.929 -20.217 -4.668 1.00 15.03 C ATOM 690 CE3 TRP A 95 -2.644 -22.523 -4.006 1.00 44.22 C ATOM 691 CZ2 TRP A 95 -4.015 -20.538 -5.479 1.00 61.32 C ATOM 692 CZ3 TRP A 95 -3.722 -22.839 -4.811 1.00 43.35 C ATOM 693 CH2 TRP A 95 -4.397 -21.850 -5.540 1.00 62.41 C ATOM 0 H TRP A 95 -0.607 -23.560 -2.296 1.00 53.35 H new ATOM 0 HA TRP A 95 -0.162 -21.754 -0.236 1.00 41.42 H new ATOM 0 HB2 TRP A 95 0.488 -20.358 -1.926 1.00 72.32 H new ATOM 0 HB3 TRP A 95 0.424 -21.843 -2.853 1.00 72.32 H new ATOM 0 HD1 TRP A 95 -0.646 -18.409 -3.181 1.00 30.40 H new ATOM 0 HE1 TRP A 95 -2.626 -18.114 -4.818 1.00 12.54 H new ATOM 0 HE3 TRP A 95 -2.129 -23.292 -3.449 1.00 44.22 H new ATOM 0 HZ2 TRP A 95 -4.537 -19.777 -6.040 1.00 61.32 H new ATOM 0 HZ3 TRP A 95 -4.050 -23.866 -4.880 1.00 43.35 H new ATOM 0 HH2 TRP A 95 -5.235 -22.129 -6.162 1.00 62.41 H new ATOM 704 N PRO A 96 -2.109 -20.071 -0.050 1.00 64.33 N ATOM 705 CA PRO A 96 -3.312 -19.337 0.354 1.00 11.30 C ATOM 706 C PRO A 96 -4.015 -18.682 -0.830 1.00 51.53 C ATOM 707 O PRO A 96 -3.447 -17.822 -1.505 1.00 74.21 O ATOM 708 CB PRO A 96 -2.772 -18.271 1.311 1.00 34.20 C ATOM 709 CG PRO A 96 -1.354 -18.076 0.900 1.00 51.40 C ATOM 710 CD PRO A 96 -0.875 -19.416 0.413 1.00 62.54 C ATOM 0 HA PRO A 96 -4.059 -19.993 0.802 1.00 11.30 H new ATOM 0 HB2 PRO A 96 -3.339 -17.343 1.231 1.00 34.20 H new ATOM 0 HB3 PRO A 96 -2.842 -18.598 2.348 1.00 34.20 H new ATOM 0 HG2 PRO A 96 -1.275 -17.325 0.114 1.00 51.40 H new ATOM 0 HG3 PRO A 96 -0.750 -17.726 1.737 1.00 51.40 H new ATOM 0 HD2 PRO A 96 -0.147 -19.314 -0.392 1.00 62.54 H new ATOM 0 HD3 PRO A 96 -0.393 -19.984 1.209 1.00 62.54 H new ATOM 718 N LEU A 97 -5.254 -19.093 -1.077 1.00 30.41 N ATOM 719 CA LEU A 97 -6.036 -18.545 -2.180 1.00 23.23 C ATOM 720 C LEU A 97 -6.660 -17.209 -1.793 1.00 11.21 C ATOM 721 O LEU A 97 -6.646 -16.818 -0.627 1.00 20.41 O ATOM 722 CB LEU A 97 -7.130 -19.531 -2.595 1.00 73.34 C ATOM 723 CG LEU A 97 -6.657 -20.794 -3.315 1.00 51.52 C ATOM 724 CD1 LEU A 97 -6.967 -22.031 -2.487 1.00 75.41 C ATOM 725 CD2 LEU A 97 -7.303 -20.896 -4.691 1.00 64.53 C ATOM 0 H LEU A 97 -5.739 -19.804 -0.529 1.00 30.41 H new ATOM 0 HA LEU A 97 -5.365 -18.381 -3.023 1.00 23.23 H new ATOM 0 HB2 LEU A 97 -7.679 -19.830 -1.702 1.00 73.34 H new ATOM 0 HB3 LEU A 97 -7.834 -19.010 -3.243 1.00 73.34 H new ATOM 0 HG LEU A 97 -5.577 -20.731 -3.445 1.00 51.52 H new ATOM 0 HD11 LEU A 97 -6.623 -22.919 -3.017 1.00 75.41 H new ATOM 0 HD12 LEU A 97 -6.458 -21.962 -1.525 1.00 75.41 H new ATOM 0 HD13 LEU A 97 -8.043 -22.100 -2.324 1.00 75.41 H new ATOM 0 HD21 LEU A 97 -6.955 -21.801 -5.190 1.00 64.53 H new ATOM 0 HD22 LEU A 97 -8.387 -20.935 -4.582 1.00 64.53 H new ATOM 0 HD23 LEU A 97 -7.029 -20.025 -5.287 1.00 64.53 H new ATOM 737 N GLY A 98 -7.212 -16.510 -2.783 1.00 31.13 N ATOM 738 CA GLY A 98 -7.836 -15.226 -2.525 1.00 1.22 C ATOM 739 C GLY A 98 -6.989 -14.063 -3.003 1.00 45.10 C ATOM 740 O GLY A 98 -7.489 -12.953 -3.181 1.00 31.54 O ATOM 0 H GLY A 98 -7.237 -16.811 -3.757 1.00 31.13 H new ATOM 0 HA2 GLY A 98 -8.807 -15.192 -3.019 1.00 1.22 H new ATOM 0 HA3 GLY A 98 -8.019 -15.123 -1.455 1.00 1.22 H new ATOM 744 N ALA A 99 -5.700 -14.317 -3.209 1.00 1.33 N ATOM 745 CA ALA A 99 -4.782 -13.284 -3.669 1.00 0.13 C ATOM 746 C ALA A 99 -4.025 -13.736 -4.914 1.00 52.12 C ATOM 747 O ALA A 99 -3.057 -14.493 -4.823 1.00 4.21 O ATOM 748 CB ALA A 99 -3.806 -12.913 -2.561 1.00 5.24 C ATOM 0 H ALA A 99 -5.269 -15.230 -3.064 1.00 1.33 H new ATOM 0 HA ALA A 99 -5.368 -12.403 -3.932 1.00 0.13 H new ATOM 0 HB1 ALA A 99 -3.126 -12.140 -2.919 1.00 5.24 H new ATOM 0 HB2 ALA A 99 -4.359 -12.539 -1.699 1.00 5.24 H new ATOM 0 HB3 ALA A 99 -3.233 -13.794 -2.271 1.00 5.24 H new ATOM 754 N ASP A 100 -4.472 -13.270 -6.074 1.00 73.42 N ATOM 755 CA ASP A 100 -3.836 -13.627 -7.337 1.00 42.41 C ATOM 756 C ASP A 100 -4.229 -12.647 -8.439 1.00 33.33 C ATOM 757 O ASP A 100 -5.339 -12.705 -8.970 1.00 21.43 O ATOM 758 CB ASP A 100 -4.222 -15.050 -7.743 1.00 5.23 C ATOM 759 CG ASP A 100 -3.332 -16.096 -7.101 1.00 31.30 C ATOM 760 OD1 ASP A 100 -2.164 -16.224 -7.526 1.00 54.40 O1- ATOM 761 OD2 ASP A 100 -3.801 -16.787 -6.173 1.00 41.45 O ATOM 0 H ASP A 100 -5.272 -12.644 -6.167 1.00 73.42 H new ATOM 0 HA ASP A 100 -2.756 -13.577 -7.198 1.00 42.41 H new ATOM 0 HB2 ASP A 100 -5.258 -15.237 -7.462 1.00 5.23 H new ATOM 0 HB3 ASP A 100 -4.164 -15.144 -8.827 1.00 5.23 H new ATOM 766 N THR A 101 -3.311 -11.747 -8.777 1.00 34.51 N ATOM 767 CA THR A 101 -3.563 -10.753 -9.814 1.00 51.20 C ATOM 768 C THR A 101 -2.317 -10.514 -10.659 1.00 23.01 C ATOM 769 O THR A 101 -1.192 -10.800 -10.246 1.00 33.00 O ATOM 770 CB THR A 101 -4.022 -9.414 -9.208 1.00 43.01 C ATOM 771 OG1 THR A 101 -3.720 -9.379 -7.809 1.00 71.21 O ATOM 772 CG2 THR A 101 -5.516 -9.211 -9.415 1.00 42.43 C ATOM 0 H THR A 101 -2.387 -11.686 -8.349 1.00 34.51 H new ATOM 0 HA THR A 101 -4.358 -11.149 -10.446 1.00 51.20 H new ATOM 0 HB THR A 101 -3.488 -8.610 -9.714 1.00 43.01 H new ATOM 0 HG1 THR A 101 -4.014 -8.523 -7.432 1.00 71.21 H new ATOM 0 HG21 THR A 101 -5.818 -8.259 -8.979 1.00 42.43 H new ATOM 0 HG22 THR A 101 -5.738 -9.208 -10.482 1.00 42.43 H new ATOM 0 HG23 THR A 101 -6.063 -10.021 -8.933 1.00 42.43 H new ATOM 780 N PRO A 102 -2.518 -9.976 -11.872 1.00 13.22 N ATOM 781 CA PRO A 102 -1.422 -9.687 -12.801 1.00 51.34 C ATOM 782 C PRO A 102 -0.550 -8.530 -12.324 1.00 42.24 C ATOM 783 O PRO A 102 -0.753 -7.994 -11.236 1.00 13.42 O ATOM 784 CB PRO A 102 -2.144 -9.312 -14.097 1.00 24.43 C ATOM 785 CG PRO A 102 -3.479 -8.818 -13.657 1.00 30.13 C ATOM 786 CD PRO A 102 -3.830 -9.611 -12.429 1.00 62.43 C ATOM 0 HA PRO A 102 -0.742 -10.533 -12.906 1.00 51.34 H new ATOM 0 HB2 PRO A 102 -1.599 -8.544 -14.646 1.00 24.43 H new ATOM 0 HB3 PRO A 102 -2.239 -10.172 -14.760 1.00 24.43 H new ATOM 0 HG2 PRO A 102 -3.447 -7.751 -13.436 1.00 30.13 H new ATOM 0 HG3 PRO A 102 -4.225 -8.960 -14.439 1.00 30.13 H new ATOM 0 HD2 PRO A 102 -4.416 -9.021 -11.724 1.00 62.43 H new ATOM 0 HD3 PRO A 102 -4.421 -10.493 -12.676 1.00 62.43 H new ATOM 794 N ALA A 103 0.422 -8.149 -13.149 1.00 73.33 N ATOM 795 CA ALA A 103 1.323 -7.054 -12.812 1.00 24.32 C ATOM 796 C ALA A 103 0.818 -5.733 -13.381 1.00 64.31 C ATOM 797 O ALA A 103 0.124 -5.708 -14.399 1.00 53.04 O ATOM 798 CB ALA A 103 2.726 -7.349 -13.323 1.00 0.53 C ATOM 0 H ALA A 103 0.604 -8.583 -14.054 1.00 73.33 H new ATOM 0 HA ALA A 103 1.355 -6.963 -11.726 1.00 24.32 H new ATOM 0 HB1 ALA A 103 3.389 -6.523 -13.064 1.00 0.53 H new ATOM 0 HB2 ALA A 103 3.095 -8.267 -12.865 1.00 0.53 H new ATOM 0 HB3 ALA A 103 2.701 -7.469 -14.406 1.00 0.53 H new ATOM 804 N LEU A 104 1.169 -4.636 -12.719 1.00 61.25 N ATOM 805 CA LEU A 104 0.751 -3.309 -13.160 1.00 74.14 C ATOM 806 C LEU A 104 1.067 -3.101 -14.637 1.00 73.01 C ATOM 807 O LEU A 104 0.919 -1.985 -15.132 1.00 2.04 O ATOM 808 CB LEU A 104 1.439 -2.231 -12.321 1.00 44.12 C ATOM 809 CG LEU A 104 0.821 -1.947 -10.952 1.00 22.34 C ATOM 810 CD1 LEU A 104 -0.630 -1.513 -11.102 1.00 12.14 C ATOM 811 CD2 LEU A 104 0.922 -3.173 -10.056 1.00 2.41 C ATOM 0 H LEU A 104 1.742 -4.639 -11.875 1.00 61.25 H new ATOM 0 HA LEU A 104 -0.328 -3.231 -13.025 1.00 74.14 H new ATOM 0 HB2 LEU A 104 2.479 -2.523 -12.174 1.00 44.12 H new ATOM 0 HB3 LEU A 104 1.446 -1.303 -12.893 1.00 44.12 H new ATOM 0 HG LEU A 104 1.377 -1.134 -10.485 1.00 22.34 H new ATOM 0 HD11 LEU A 104 -1.054 -1.315 -10.118 1.00 12.14 H new ATOM 0 HD12 LEU A 104 -0.678 -0.607 -11.707 1.00 12.14 H new ATOM 0 HD13 LEU A 104 -1.198 -2.305 -11.589 1.00 12.14 H new ATOM 0 HD21 LEU A 104 0.477 -2.952 -9.086 1.00 2.41 H new ATOM 0 HD22 LEU A 104 0.391 -4.006 -10.518 1.00 2.41 H new ATOM 0 HD23 LEU A 104 1.970 -3.440 -9.922 1.00 2.41 H new TER 823 LEU A 104 HETATM 824 ZN ZN A 201 8.468 -19.035 -13.143 1.00 73.43 ZN HETATM 825 ZN ZN A 202 -2.784 -26.136 -10.213 1.00 64.31 ZN