USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 423 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 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 92 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.5!) USER MOD Set 2.1: A 71 ASN : amide:sc= 0.891 K(o=1.3,f=-2.5!) USER MOD Set 2.2: A 74 CYS SG : rot 79:sc= 0.0793 USER MOD Set 2.3: A 86 ASN : amide:sc= 0.322 X(o=1.3,f=0.97) USER MOD Set 3.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00694 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0275 X(o=-0.027,f=-0.47) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0893 USER MOD Single : A 105 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.1) USER MOD Single : A 106 GLN : amide:sc= -2.47! C(o=-2.5!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 4.899 -6.086 7.996 1.00 0.00 N ATOM 2 CA GLY A 50 5.056 -7.270 8.820 1.00 0.00 C ATOM 3 C GLY A 50 6.455 -7.847 8.745 1.00 0.00 C ATOM 4 O GLY A 50 7.059 -7.893 7.673 1.00 0.00 O ATOM 0 HA2 GLY A 50 4.824 -7.022 9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.337 -8.026 8.505 1.00 0.00 H new ATOM 8 N SER A 51 6.974 -8.288 9.887 1.00 0.00 N ATOM 9 CA SER A 51 8.314 -8.860 9.947 1.00 0.00 C ATOM 10 C SER A 51 8.474 -9.980 8.924 1.00 0.00 C ATOM 11 O SER A 51 9.491 -10.067 8.235 1.00 0.00 O ATOM 12 CB SER A 51 8.602 -9.393 11.352 1.00 0.00 C ATOM 13 OG SER A 51 9.995 -9.435 11.607 1.00 0.00 O ATOM 0 H SER A 51 6.487 -8.260 10.783 1.00 0.00 H new ATOM 0 HA SER A 51 9.029 -8.072 9.711 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.113 -8.759 12.092 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.180 -10.392 11.459 1.00 0.00 H new ATOM 0 HG SER A 51 10.152 -9.778 12.512 1.00 0.00 H new ATOM 19 N SER A 52 7.461 -10.835 8.829 1.00 0.00 N ATOM 20 CA SER A 52 7.488 -11.952 7.893 1.00 0.00 C ATOM 21 C SER A 52 7.203 -11.477 6.471 1.00 0.00 C ATOM 22 O SER A 52 6.209 -10.798 6.220 1.00 0.00 O ATOM 23 CB SER A 52 6.466 -13.014 8.303 1.00 0.00 C ATOM 24 OG SER A 52 6.632 -14.201 7.546 1.00 0.00 O ATOM 0 H SER A 52 6.611 -10.775 9.389 1.00 0.00 H new ATOM 0 HA SER A 52 8.486 -12.390 7.918 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.575 -13.238 9.364 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.457 -12.626 8.161 1.00 0.00 H new ATOM 0 HG SER A 52 5.968 -14.864 7.828 1.00 0.00 H new ATOM 30 N GLY A 53 8.085 -11.841 5.544 1.00 0.00 N ATOM 31 CA GLY A 53 7.911 -11.443 4.160 1.00 0.00 C ATOM 32 C GLY A 53 9.214 -11.021 3.510 1.00 0.00 C ATOM 33 O GLY A 53 10.032 -10.341 4.129 1.00 0.00 O ATOM 0 H GLY A 53 8.916 -12.404 5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.480 -12.272 3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.199 -10.619 4.109 1.00 0.00 H new ATOM 37 N SER A 54 9.408 -11.427 2.259 1.00 0.00 N ATOM 38 CA SER A 54 10.624 -11.091 1.527 1.00 0.00 C ATOM 39 C SER A 54 10.432 -9.816 0.711 1.00 0.00 C ATOM 40 O SER A 54 9.326 -9.511 0.266 1.00 0.00 O ATOM 41 CB SER A 54 11.024 -12.244 0.605 1.00 0.00 C ATOM 42 OG SER A 54 11.427 -13.379 1.352 1.00 0.00 O ATOM 0 H SER A 54 8.739 -11.989 1.732 1.00 0.00 H new ATOM 0 HA SER A 54 11.420 -10.922 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.184 -12.508 -0.038 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.838 -11.927 -0.047 1.00 0.00 H new ATOM 0 HG SER A 54 11.676 -14.102 0.739 1.00 0.00 H new ATOM 48 N SER A 55 11.518 -9.074 0.520 1.00 0.00 N ATOM 49 CA SER A 55 11.471 -7.829 -0.238 1.00 0.00 C ATOM 50 C SER A 55 11.316 -8.108 -1.730 1.00 0.00 C ATOM 51 O SER A 55 12.165 -8.755 -2.343 1.00 0.00 O ATOM 52 CB SER A 55 12.736 -7.007 0.011 1.00 0.00 C ATOM 53 OG SER A 55 12.679 -5.765 -0.669 1.00 0.00 O ATOM 0 H SER A 55 12.442 -9.314 0.880 1.00 0.00 H new ATOM 0 HA SER A 55 10.605 -7.259 0.099 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.857 -6.834 1.080 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.609 -7.568 -0.322 1.00 0.00 H new ATOM 0 HG SER A 55 13.499 -5.257 -0.492 1.00 0.00 H new ATOM 59 N GLY A 56 10.226 -7.614 -2.308 1.00 0.00 N ATOM 60 CA GLY A 56 9.979 -7.819 -3.723 1.00 0.00 C ATOM 61 C GLY A 56 8.623 -8.443 -3.991 1.00 0.00 C ATOM 62 O GLY A 56 8.487 -9.291 -4.872 1.00 0.00 O ATOM 0 H GLY A 56 9.509 -7.075 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.044 -6.863 -4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.758 -8.460 -4.136 1.00 0.00 H new ATOM 66 N GLU A 57 7.619 -8.024 -3.227 1.00 0.00 N ATOM 67 CA GLU A 57 6.269 -8.550 -3.385 1.00 0.00 C ATOM 68 C GLU A 57 5.268 -7.421 -3.615 1.00 0.00 C ATOM 69 O GLU A 57 5.436 -6.301 -3.132 1.00 0.00 O ATOM 70 CB GLU A 57 5.865 -9.360 -2.151 1.00 0.00 C ATOM 71 CG GLU A 57 6.767 -10.554 -1.886 1.00 0.00 C ATOM 72 CD GLU A 57 6.744 -11.566 -3.015 1.00 0.00 C ATOM 73 OE1 GLU A 57 5.741 -11.600 -3.759 1.00 0.00 O ATOM 74 OE2 GLU A 57 7.727 -12.322 -3.155 1.00 0.00 O ATOM 0 H GLU A 57 7.715 -7.322 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 57 6.262 -9.203 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.875 -8.707 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.840 -9.710 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.789 -10.206 -1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.457 -11.040 -0.961 1.00 0.00 H new ATOM 81 N PRO A 58 4.201 -7.721 -4.371 1.00 0.00 N ATOM 82 CA PRO A 58 3.153 -6.745 -4.682 1.00 0.00 C ATOM 83 C PRO A 58 2.311 -6.389 -3.461 1.00 0.00 C ATOM 84 O PRO A 58 2.001 -7.249 -2.636 1.00 0.00 O ATOM 85 CB PRO A 58 2.299 -7.464 -5.729 1.00 0.00 C ATOM 86 CG PRO A 58 2.520 -8.914 -5.468 1.00 0.00 C ATOM 87 CD PRO A 58 3.937 -9.035 -4.979 1.00 0.00 C ATOM 0 HA PRO A 58 3.568 -5.798 -5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.246 -7.200 -5.630 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.602 -7.193 -6.740 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.817 -9.288 -4.724 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.368 -9.501 -6.374 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.044 -9.842 -4.254 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.627 -9.246 -5.796 1.00 0.00 H new ATOM 95 N VAL A 59 1.942 -5.117 -3.353 1.00 0.00 N ATOM 96 CA VAL A 59 1.134 -4.648 -2.234 1.00 0.00 C ATOM 97 C VAL A 59 -0.354 -4.804 -2.526 1.00 0.00 C ATOM 98 O VAL A 59 -0.930 -4.039 -3.301 1.00 0.00 O ATOM 99 CB VAL A 59 1.429 -3.172 -1.908 1.00 0.00 C ATOM 100 CG1 VAL A 59 0.566 -2.697 -0.749 1.00 0.00 C ATOM 101 CG2 VAL A 59 2.906 -2.980 -1.596 1.00 0.00 C ATOM 0 H VAL A 59 2.190 -4.393 -4.027 1.00 0.00 H new ATOM 0 HA VAL A 59 1.399 -5.263 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 59 1.184 -2.570 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.789 -1.652 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.486 -2.796 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.776 -3.302 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.096 -1.931 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.179 -3.593 -0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.502 -3.278 -2.459 1.00 0.00 H new ATOM 111 N LEU A 60 -0.972 -5.801 -1.902 1.00 0.00 N ATOM 112 CA LEU A 60 -2.395 -6.059 -2.094 1.00 0.00 C ATOM 113 C LEU A 60 -3.210 -5.518 -0.923 1.00 0.00 C ATOM 114 O LEU A 60 -2.746 -5.508 0.217 1.00 0.00 O ATOM 115 CB LEU A 60 -2.645 -7.559 -2.255 1.00 0.00 C ATOM 116 CG LEU A 60 -1.859 -8.255 -3.367 1.00 0.00 C ATOM 117 CD1 LEU A 60 -1.946 -9.766 -3.217 1.00 0.00 C ATOM 118 CD2 LEU A 60 -2.372 -7.823 -4.733 1.00 0.00 C ATOM 0 H LEU A 60 -0.510 -6.444 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.713 -5.545 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.411 -8.049 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.708 -7.712 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.812 -7.962 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.381 -10.244 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.531 -10.060 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.989 -10.078 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.801 -8.328 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.426 -8.087 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.257 -6.744 -4.840 1.00 0.00 H new ATOM 130 N CYS A 61 -4.427 -5.072 -1.213 1.00 0.00 N ATOM 131 CA CYS A 61 -5.308 -4.531 -0.184 1.00 0.00 C ATOM 132 C CYS A 61 -5.306 -5.420 1.056 1.00 0.00 C ATOM 133 O CYS A 61 -4.890 -6.578 1.002 1.00 0.00 O ATOM 134 CB CYS A 61 -6.733 -4.394 -0.724 1.00 0.00 C ATOM 135 SG CYS A 61 -7.808 -3.317 0.277 1.00 0.00 S ATOM 0 H CYS A 61 -4.826 -5.074 -2.152 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.936 -3.545 0.096 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.689 -4.002 -1.740 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.184 -5.385 -0.784 1.00 0.00 H new ATOM 140 N SER A 62 -5.774 -4.871 2.172 1.00 0.00 N ATOM 141 CA SER A 62 -5.823 -5.612 3.427 1.00 0.00 C ATOM 142 C SER A 62 -6.955 -6.635 3.410 1.00 0.00 C ATOM 143 O SER A 62 -6.760 -7.799 3.761 1.00 0.00 O ATOM 144 CB SER A 62 -6.006 -4.652 4.604 1.00 0.00 C ATOM 145 OG SER A 62 -4.810 -3.941 4.872 1.00 0.00 O ATOM 0 H SER A 62 -6.125 -3.915 2.233 1.00 0.00 H new ATOM 0 HA SER A 62 -4.878 -6.143 3.544 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.809 -3.949 4.383 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.307 -5.211 5.490 1.00 0.00 H new ATOM 0 HG SER A 62 -4.953 -3.333 5.627 1.00 0.00 H new ATOM 151 N ARG A 63 -8.138 -6.192 2.998 1.00 0.00 N ATOM 152 CA ARG A 63 -9.302 -7.067 2.936 1.00 0.00 C ATOM 153 C ARG A 63 -9.035 -8.263 2.026 1.00 0.00 C ATOM 154 O ARG A 63 -8.492 -8.115 0.931 1.00 0.00 O ATOM 155 CB ARG A 63 -10.522 -6.294 2.434 1.00 0.00 C ATOM 156 CG ARG A 63 -11.848 -6.930 2.819 1.00 0.00 C ATOM 157 CD ARG A 63 -13.000 -5.949 2.674 1.00 0.00 C ATOM 158 NE ARG A 63 -13.419 -5.797 1.283 1.00 0.00 N ATOM 159 CZ ARG A 63 -14.620 -5.360 0.920 1.00 0.00 C ATOM 160 NH1 ARG A 63 -15.515 -5.032 1.841 1.00 0.00 N ATOM 161 NH2 ARG A 63 -14.926 -5.250 -0.366 1.00 0.00 N ATOM 0 H ARG A 63 -8.316 -5.232 2.702 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.502 -7.435 3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.487 -5.279 2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.469 -6.214 1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.030 -7.802 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.798 -7.284 3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.845 -6.291 3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.702 -4.979 3.071 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.753 -6.040 0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.282 -5.115 2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.436 -4.697 1.560 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.239 -5.501 -1.077 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.848 -4.914 -0.644 1.00 0.00 H new ATOM 175 N THR A 64 -9.420 -9.449 2.487 1.00 0.00 N ATOM 176 CA THR A 64 -9.221 -10.670 1.717 1.00 0.00 C ATOM 177 C THR A 64 -10.063 -10.661 0.446 1.00 0.00 C ATOM 178 O THR A 64 -9.594 -11.051 -0.624 1.00 0.00 O ATOM 179 CB THR A 64 -9.575 -11.920 2.545 1.00 0.00 C ATOM 180 OG1 THR A 64 -10.944 -11.863 2.959 1.00 0.00 O ATOM 181 CG2 THR A 64 -8.675 -12.033 3.766 1.00 0.00 C ATOM 0 H THR A 64 -9.872 -9.590 3.391 1.00 0.00 H new ATOM 0 HA THR A 64 -8.165 -10.707 1.450 1.00 0.00 H new ATOM 0 HB THR A 64 -9.422 -12.798 1.918 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.161 -12.662 3.483 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.944 -12.923 4.335 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.636 -12.107 3.446 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.800 -11.150 4.393 1.00 0.00 H new ATOM 189 N THR A 65 -11.309 -10.214 0.569 1.00 0.00 N ATOM 190 CA THR A 65 -12.216 -10.155 -0.570 1.00 0.00 C ATOM 191 C THR A 65 -11.762 -9.109 -1.581 1.00 0.00 C ATOM 192 O THR A 65 -12.083 -9.196 -2.766 1.00 0.00 O ATOM 193 CB THR A 65 -13.655 -9.833 -0.125 1.00 0.00 C ATOM 194 OG1 THR A 65 -13.672 -8.627 0.646 1.00 0.00 O ATOM 195 CG2 THR A 65 -14.236 -10.974 0.696 1.00 0.00 C ATOM 0 H THR A 65 -11.713 -9.887 1.447 1.00 0.00 H new ATOM 0 HA THR A 65 -12.200 -11.139 -1.039 1.00 0.00 H new ATOM 0 HB THR A 65 -14.266 -9.701 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.591 -8.429 0.923 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.253 -10.723 0.999 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.250 -11.884 0.096 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.622 -11.134 1.583 1.00 0.00 H new ATOM 203 N CYS A 66 -11.013 -8.119 -1.105 1.00 0.00 N ATOM 204 CA CYS A 66 -10.514 -7.055 -1.967 1.00 0.00 C ATOM 205 C CYS A 66 -9.151 -7.419 -2.547 1.00 0.00 C ATOM 206 O CYS A 66 -9.003 -7.579 -3.759 1.00 0.00 O ATOM 207 CB CYS A 66 -10.415 -5.742 -1.187 1.00 0.00 C ATOM 208 SG CYS A 66 -10.585 -4.250 -2.218 1.00 0.00 S ATOM 0 H CYS A 66 -10.739 -8.032 -0.126 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.217 -6.929 -2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -11.188 -5.729 -0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -9.454 -5.708 -0.674 1.00 0.00 H new ATOM 213 N ARG A 67 -8.158 -7.548 -1.673 1.00 0.00 N ATOM 214 CA ARG A 67 -6.806 -7.892 -2.098 1.00 0.00 C ATOM 215 C ARG A 67 -6.463 -7.215 -3.422 1.00 0.00 C ATOM 216 O ARG A 67 -5.872 -7.828 -4.310 1.00 0.00 O ATOM 217 CB ARG A 67 -6.663 -9.409 -2.238 1.00 0.00 C ATOM 218 CG ARG A 67 -6.773 -10.155 -0.918 1.00 0.00 C ATOM 219 CD ARG A 67 -5.499 -10.025 -0.097 1.00 0.00 C ATOM 220 NE ARG A 67 -4.385 -10.754 -0.697 1.00 0.00 N ATOM 221 CZ ARG A 67 -3.279 -11.080 -0.037 1.00 0.00 C ATOM 222 NH1 ARG A 67 -3.141 -10.744 1.238 1.00 0.00 N ATOM 223 NH2 ARG A 67 -2.309 -11.744 -0.652 1.00 0.00 N ATOM 0 H ARG A 67 -8.264 -7.420 -0.667 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.112 -7.536 -1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.431 -9.777 -2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.699 -9.634 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.616 -9.765 -0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.978 -11.208 -1.110 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.234 -8.972 -0.003 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.677 -10.400 0.911 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.460 -11.028 -1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.885 -10.234 1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.291 -10.995 1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.412 -12.005 -1.633 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.460 -11.994 -0.144 1.00 0.00 H new ATOM 237 N ALA A 68 -6.839 -5.946 -3.546 1.00 0.00 N ATOM 238 CA ALA A 68 -6.570 -5.184 -4.759 1.00 0.00 C ATOM 239 C ALA A 68 -5.159 -4.605 -4.742 1.00 0.00 C ATOM 240 O ALA A 68 -4.763 -3.940 -3.786 1.00 0.00 O ATOM 241 CB ALA A 68 -7.597 -4.074 -4.924 1.00 0.00 C ATOM 0 H ALA A 68 -7.331 -5.424 -2.821 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.646 -5.862 -5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.384 -3.513 -5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.595 -4.508 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.550 -3.404 -4.066 1.00 0.00 H new ATOM 247 N ALA A 69 -4.406 -4.862 -5.806 1.00 0.00 N ATOM 248 CA ALA A 69 -3.040 -4.364 -5.914 1.00 0.00 C ATOM 249 C ALA A 69 -2.994 -2.849 -5.749 1.00 0.00 C ATOM 250 O ALA A 69 -3.944 -2.146 -6.097 1.00 0.00 O ATOM 251 CB ALA A 69 -2.434 -4.770 -7.249 1.00 0.00 C ATOM 0 H ALA A 69 -4.719 -5.412 -6.606 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.453 -4.809 -5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.414 -4.391 -7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.423 -5.857 -7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.030 -4.353 -8.061 1.00 0.00 H new ATOM 257 N LEU A 70 -1.884 -2.350 -5.215 1.00 0.00 N ATOM 258 CA LEU A 70 -1.714 -0.917 -5.003 1.00 0.00 C ATOM 259 C LEU A 70 -1.764 -0.161 -6.326 1.00 0.00 C ATOM 260 O LEU A 70 -0.983 -0.431 -7.237 1.00 0.00 O ATOM 261 CB LEU A 70 -0.386 -0.640 -4.295 1.00 0.00 C ATOM 262 CG LEU A 70 -0.188 0.783 -3.773 1.00 0.00 C ATOM 263 CD1 LEU A 70 -0.923 0.975 -2.455 1.00 0.00 C ATOM 264 CD2 LEU A 70 1.294 1.089 -3.609 1.00 0.00 C ATOM 0 H LEU A 70 -1.089 -2.917 -4.921 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.534 -0.568 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.294 -1.330 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.426 -0.868 -4.986 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.604 1.479 -4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.771 1.994 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.988 0.798 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.537 0.271 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.416 2.106 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.734 0.388 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.794 0.993 -4.573 1.00 0.00 H new ATOM 276 N ASN A 71 -2.689 0.789 -6.424 1.00 0.00 N ATOM 277 CA ASN A 71 -2.840 1.586 -7.636 1.00 0.00 C ATOM 278 C ASN A 71 -2.835 3.077 -7.311 1.00 0.00 C ATOM 279 O ASN A 71 -3.128 3.494 -6.190 1.00 0.00 O ATOM 280 CB ASN A 71 -4.138 1.214 -8.357 1.00 0.00 C ATOM 281 CG ASN A 71 -5.277 0.944 -7.394 1.00 0.00 C ATOM 282 OD1 ASN A 71 -5.771 1.854 -6.728 1.00 0.00 O ATOM 283 ND2 ASN A 71 -5.700 -0.312 -7.316 1.00 0.00 N ATOM 0 H ASN A 71 -3.345 1.025 -5.679 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.994 1.372 -8.290 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.420 2.022 -9.032 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.968 0.330 -8.972 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.464 -0.555 -6.685 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.261 -1.034 -7.887 1.00 0.00 H new ATOM 290 N PRO A 72 -2.496 3.900 -8.314 1.00 0.00 N ATOM 291 CA PRO A 72 -2.446 5.357 -8.160 1.00 0.00 C ATOM 292 C PRO A 72 -3.832 5.970 -7.995 1.00 0.00 C ATOM 293 O PRO A 72 -3.971 7.185 -7.845 1.00 0.00 O ATOM 294 CB PRO A 72 -1.804 5.830 -9.467 1.00 0.00 C ATOM 295 CG PRO A 72 -2.119 4.759 -10.453 1.00 0.00 C ATOM 296 CD PRO A 72 -2.136 3.472 -9.676 1.00 0.00 C ATOM 0 HA PRO A 72 -1.896 5.654 -7.267 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.211 6.791 -9.783 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.728 5.961 -9.355 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.082 4.939 -10.930 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.372 4.726 -11.246 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.863 2.768 -10.081 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.165 2.977 -9.698 1.00 0.00 H new ATOM 304 N LEU A 73 -4.856 5.124 -8.024 1.00 0.00 N ATOM 305 CA LEU A 73 -6.232 5.583 -7.877 1.00 0.00 C ATOM 306 C LEU A 73 -6.602 5.733 -6.404 1.00 0.00 C ATOM 307 O LEU A 73 -7.241 6.710 -6.011 1.00 0.00 O ATOM 308 CB LEU A 73 -7.192 4.607 -8.558 1.00 0.00 C ATOM 309 CG LEU A 73 -7.097 4.526 -10.083 1.00 0.00 C ATOM 310 CD1 LEU A 73 -7.891 3.339 -10.605 1.00 0.00 C ATOM 311 CD2 LEU A 73 -7.589 5.819 -10.716 1.00 0.00 C ATOM 0 H LEU A 73 -4.759 4.116 -8.148 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.316 6.559 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.017 3.612 -8.150 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.212 4.886 -8.292 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.051 4.385 -10.356 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.812 3.298 -11.691 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.494 2.419 -10.177 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.938 3.448 -10.322 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.515 5.744 -11.801 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.628 5.990 -10.434 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.977 6.651 -10.367 1.00 0.00 H new ATOM 323 N CYS A 74 -6.195 4.761 -5.596 1.00 0.00 N ATOM 324 CA CYS A 74 -6.482 4.785 -4.166 1.00 0.00 C ATOM 325 C CYS A 74 -5.940 6.057 -3.524 1.00 0.00 C ATOM 326 O CYS A 74 -4.986 6.656 -4.020 1.00 0.00 O ATOM 327 CB CYS A 74 -5.879 3.557 -3.483 1.00 0.00 C ATOM 328 SG CYS A 74 -6.700 2.001 -3.902 1.00 0.00 S ATOM 0 H CYS A 74 -5.665 3.946 -5.906 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.564 4.768 -4.037 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.826 3.484 -3.754 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -5.921 3.698 -2.403 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.296 1.598 -5.070 1.00 0.00 H new ATOM 334 N GLN A 75 -6.555 6.465 -2.419 1.00 0.00 N ATOM 335 CA GLN A 75 -6.135 7.668 -1.710 1.00 0.00 C ATOM 336 C GLN A 75 -4.908 7.391 -0.848 1.00 0.00 C ATOM 337 O GLN A 75 -5.027 7.064 0.333 1.00 0.00 O ATOM 338 CB GLN A 75 -7.275 8.198 -0.840 1.00 0.00 C ATOM 339 CG GLN A 75 -7.256 9.708 -0.665 1.00 0.00 C ATOM 340 CD GLN A 75 -7.826 10.148 0.669 1.00 0.00 C ATOM 341 OE1 GLN A 75 -9.031 10.368 0.800 1.00 0.00 O ATOM 342 NE2 GLN A 75 -6.962 10.279 1.668 1.00 0.00 N ATOM 0 H GLN A 75 -7.346 5.980 -1.995 1.00 0.00 H new ATOM 0 HA GLN A 75 -5.873 8.423 -2.451 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.226 7.904 -1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.222 7.726 0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.231 10.067 -0.754 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.827 10.170 -1.470 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.972 10.086 1.515 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.288 10.572 2.589 1.00 0.00 H new ATOM 351 N VAL A 76 -3.728 7.524 -1.446 1.00 0.00 N ATOM 352 CA VAL A 76 -2.478 7.289 -0.732 1.00 0.00 C ATOM 353 C VAL A 76 -2.059 8.521 0.062 1.00 0.00 C ATOM 354 O VAL A 76 -1.683 9.543 -0.511 1.00 0.00 O ATOM 355 CB VAL A 76 -1.343 6.905 -1.700 1.00 0.00 C ATOM 356 CG1 VAL A 76 -0.018 6.815 -0.959 1.00 0.00 C ATOM 357 CG2 VAL A 76 -1.662 5.593 -2.400 1.00 0.00 C ATOM 0 H VAL A 76 -3.611 7.793 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.656 6.461 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.256 7.683 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.772 6.543 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.213 7.780 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.088 6.058 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.850 5.337 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.777 4.803 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.589 5.698 -2.965 1.00 0.00 H new ATOM 367 N ASP A 77 -2.126 8.416 1.385 1.00 0.00 N ATOM 368 CA ASP A 77 -1.752 9.521 2.260 1.00 0.00 C ATOM 369 C ASP A 77 -0.299 9.392 2.706 1.00 0.00 C ATOM 370 O ASP A 77 -0.020 9.065 3.860 1.00 0.00 O ATOM 371 CB ASP A 77 -2.672 9.567 3.481 1.00 0.00 C ATOM 372 CG ASP A 77 -2.846 10.972 4.022 1.00 0.00 C ATOM 373 OD1 ASP A 77 -2.798 11.928 3.219 1.00 0.00 O ATOM 374 OD2 ASP A 77 -3.031 11.117 5.248 1.00 0.00 O ATOM 0 H ASP A 77 -2.436 7.577 1.875 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.860 10.449 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.647 9.161 3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.264 8.927 4.264 1.00 0.00 H new ATOM 379 N TYR A 78 0.622 9.651 1.785 1.00 0.00 N ATOM 380 CA TYR A 78 2.047 9.561 2.083 1.00 0.00 C ATOM 381 C TYR A 78 2.368 10.230 3.416 1.00 0.00 C ATOM 382 O TYR A 78 3.205 9.748 4.180 1.00 0.00 O ATOM 383 CB TYR A 78 2.865 10.208 0.965 1.00 0.00 C ATOM 384 CG TYR A 78 2.483 9.732 -0.419 1.00 0.00 C ATOM 385 CD1 TYR A 78 1.492 10.377 -1.148 1.00 0.00 C ATOM 386 CD2 TYR A 78 3.113 8.636 -0.996 1.00 0.00 C ATOM 387 CE1 TYR A 78 1.139 9.945 -2.412 1.00 0.00 C ATOM 388 CE2 TYR A 78 2.768 8.198 -2.260 1.00 0.00 C ATOM 389 CZ TYR A 78 1.780 8.855 -2.963 1.00 0.00 C ATOM 390 OH TYR A 78 1.432 8.421 -4.222 1.00 0.00 O ATOM 0 H TYR A 78 0.408 9.925 0.826 1.00 0.00 H new ATOM 0 HA TYR A 78 2.312 8.506 2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.741 11.290 1.015 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.922 10.000 1.133 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.989 11.231 -0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.885 8.118 -0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.366 10.458 -2.965 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.269 7.346 -2.695 1.00 0.00 H new ATOM 0 HH TYR A 78 1.979 7.644 -4.463 1.00 0.00 H new ATOM 400 N ARG A 79 1.697 11.344 3.689 1.00 0.00 N ATOM 401 CA ARG A 79 1.910 12.081 4.929 1.00 0.00 C ATOM 402 C ARG A 79 1.749 11.166 6.139 1.00 0.00 C ATOM 403 O ARG A 79 2.670 11.012 6.940 1.00 0.00 O ATOM 404 CB ARG A 79 0.930 13.251 5.026 1.00 0.00 C ATOM 405 CG ARG A 79 1.250 14.395 4.078 1.00 0.00 C ATOM 406 CD ARG A 79 0.180 15.474 4.125 1.00 0.00 C ATOM 407 NE ARG A 79 0.687 16.768 3.676 1.00 0.00 N ATOM 408 CZ ARG A 79 0.128 17.929 4.000 1.00 0.00 C ATOM 409 NH1 ARG A 79 -0.950 17.957 4.771 1.00 0.00 N ATOM 410 NH2 ARG A 79 0.648 19.064 3.552 1.00 0.00 N ATOM 0 H ARG A 79 1.001 11.756 3.068 1.00 0.00 H new ATOM 0 HA ARG A 79 2.928 12.469 4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.077 12.889 4.818 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.928 13.628 6.049 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.216 14.827 4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.338 14.012 3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.662 15.177 3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.197 15.566 5.143 1.00 0.00 H new ATOM 0 HE ARG A 79 1.516 16.781 3.081 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.352 17.086 5.117 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.377 18.850 5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.477 19.046 2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.219 19.955 3.801 1.00 0.00 H new ATOM 424 N ALA A 80 0.572 10.561 6.265 1.00 0.00 N ATOM 425 CA ALA A 80 0.291 9.661 7.376 1.00 0.00 C ATOM 426 C ALA A 80 0.614 8.217 7.008 1.00 0.00 C ATOM 427 O ALA A 80 0.081 7.279 7.603 1.00 0.00 O ATOM 428 CB ALA A 80 -1.164 9.786 7.802 1.00 0.00 C ATOM 0 H ALA A 80 -0.202 10.678 5.611 1.00 0.00 H new ATOM 0 HA ALA A 80 0.929 9.947 8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.359 9.108 8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.365 10.811 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.812 9.529 6.964 1.00 0.00 H new ATOM 434 N LYS A 81 1.489 8.044 6.023 1.00 0.00 N ATOM 435 CA LYS A 81 1.884 6.714 5.575 1.00 0.00 C ATOM 436 C LYS A 81 0.696 5.757 5.597 1.00 0.00 C ATOM 437 O LYS A 81 0.820 4.607 6.022 1.00 0.00 O ATOM 438 CB LYS A 81 3.008 6.168 6.458 1.00 0.00 C ATOM 439 CG LYS A 81 4.383 6.698 6.088 1.00 0.00 C ATOM 440 CD LYS A 81 4.583 8.122 6.578 1.00 0.00 C ATOM 441 CE LYS A 81 5.965 8.646 6.221 1.00 0.00 C ATOM 442 NZ LYS A 81 6.404 9.728 7.144 1.00 0.00 N ATOM 0 H LYS A 81 1.938 8.809 5.520 1.00 0.00 H new ATOM 0 HA LYS A 81 2.243 6.796 4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.798 6.421 7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.017 5.080 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.150 6.054 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.508 6.664 5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.823 8.769 6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.447 8.158 7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.683 7.827 6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.957 9.022 5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.351 10.058 6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.733 10.521 7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.436 9.362 8.117 1.00 0.00 H new ATOM 456 N LEU A 82 -0.454 6.238 5.137 1.00 0.00 N ATOM 457 CA LEU A 82 -1.664 5.424 5.103 1.00 0.00 C ATOM 458 C LEU A 82 -2.403 5.603 3.781 1.00 0.00 C ATOM 459 O LEU A 82 -2.695 6.725 3.368 1.00 0.00 O ATOM 460 CB LEU A 82 -2.584 5.794 6.269 1.00 0.00 C ATOM 461 CG LEU A 82 -2.362 5.022 7.570 1.00 0.00 C ATOM 462 CD1 LEU A 82 -3.129 5.670 8.712 1.00 0.00 C ATOM 463 CD2 LEU A 82 -2.777 3.567 7.404 1.00 0.00 C ATOM 0 H LEU A 82 -0.574 7.187 4.783 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.372 4.378 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.465 6.857 6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.616 5.644 5.953 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.299 5.051 7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.959 5.107 9.630 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.784 6.695 8.846 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.194 5.673 8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.612 3.033 8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.833 3.518 7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.183 3.107 6.614 1.00 0.00 H new ATOM 475 N TRP A 83 -2.705 4.489 3.123 1.00 0.00 N ATOM 476 CA TRP A 83 -3.412 4.523 1.848 1.00 0.00 C ATOM 477 C TRP A 83 -4.790 3.881 1.973 1.00 0.00 C ATOM 478 O TRP A 83 -4.914 2.737 2.407 1.00 0.00 O ATOM 479 CB TRP A 83 -2.598 3.805 0.770 1.00 0.00 C ATOM 480 CG TRP A 83 -2.592 2.314 0.924 1.00 0.00 C ATOM 481 CD1 TRP A 83 -1.793 1.579 1.753 1.00 0.00 C ATOM 482 CD2 TRP A 83 -3.422 1.378 0.229 1.00 0.00 C ATOM 483 NE1 TRP A 83 -2.076 0.242 1.614 1.00 0.00 N ATOM 484 CE2 TRP A 83 -3.073 0.092 0.687 1.00 0.00 C ATOM 485 CE3 TRP A 83 -4.428 1.500 -0.733 1.00 0.00 C ATOM 486 CZ2 TRP A 83 -3.694 -1.060 0.212 1.00 0.00 C ATOM 487 CZ3 TRP A 83 -5.043 0.356 -1.203 1.00 0.00 C ATOM 488 CH2 TRP A 83 -4.675 -0.911 -0.730 1.00 0.00 C ATOM 0 H TRP A 83 -2.471 3.552 3.451 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.542 5.566 1.561 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.001 4.060 -0.210 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.571 4.170 0.797 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -1.048 1.989 2.420 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -1.618 -0.516 2.119 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.720 2.472 -1.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.411 -2.037 0.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.821 0.439 -1.948 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.175 -1.787 -1.117 1.00 0.00 H new ATOM 499 N ALA A 84 -5.822 4.626 1.589 1.00 0.00 N ATOM 500 CA ALA A 84 -7.190 4.128 1.656 1.00 0.00 C ATOM 501 C ALA A 84 -7.639 3.574 0.309 1.00 0.00 C ATOM 502 O ALA A 84 -7.410 4.188 -0.734 1.00 0.00 O ATOM 503 CB ALA A 84 -8.131 5.231 2.116 1.00 0.00 C ATOM 0 H ALA A 84 -5.736 5.576 1.228 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.219 3.315 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.149 4.845 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -7.830 5.577 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.089 6.062 1.412 1.00 0.00 H new ATOM 509 N CYS A 85 -8.279 2.409 0.336 1.00 0.00 N ATOM 510 CA CYS A 85 -8.759 1.771 -0.883 1.00 0.00 C ATOM 511 C CYS A 85 -9.878 2.590 -1.521 1.00 0.00 C ATOM 512 O CYS A 85 -10.662 3.235 -0.826 1.00 0.00 O ATOM 513 CB CYS A 85 -9.256 0.356 -0.581 1.00 0.00 C ATOM 514 SG CYS A 85 -9.266 -0.753 -2.026 1.00 0.00 S ATOM 0 H CYS A 85 -8.477 1.888 1.190 1.00 0.00 H new ATOM 0 HA CYS A 85 -7.928 1.715 -1.586 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.627 -0.081 0.194 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -10.266 0.416 -0.176 1.00 0.00 H new ATOM 519 N ASN A 86 -9.945 2.557 -2.848 1.00 0.00 N ATOM 520 CA ASN A 86 -10.968 3.295 -3.580 1.00 0.00 C ATOM 521 C ASN A 86 -12.198 2.426 -3.823 1.00 0.00 C ATOM 522 O ASN A 86 -13.264 2.927 -4.182 1.00 0.00 O ATOM 523 CB ASN A 86 -10.409 3.793 -4.915 1.00 0.00 C ATOM 524 CG ASN A 86 -10.420 2.717 -5.983 1.00 0.00 C ATOM 525 OD1 ASN A 86 -9.799 1.666 -5.827 1.00 0.00 O ATOM 526 ND2 ASN A 86 -11.128 2.976 -7.076 1.00 0.00 N ATOM 0 H ASN A 86 -9.303 2.027 -3.438 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.265 4.152 -2.975 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.996 4.646 -5.256 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.388 4.146 -4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -11.173 2.290 -7.829 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -11.627 3.861 -7.162 1.00 0.00 H new ATOM 533 N PHE A 87 -12.042 1.122 -3.624 1.00 0.00 N ATOM 534 CA PHE A 87 -13.140 0.182 -3.822 1.00 0.00 C ATOM 535 C PHE A 87 -13.813 -0.155 -2.495 1.00 0.00 C ATOM 536 O PHE A 87 -14.911 0.321 -2.204 1.00 0.00 O ATOM 537 CB PHE A 87 -12.630 -1.098 -4.487 1.00 0.00 C ATOM 538 CG PHE A 87 -11.997 -0.865 -5.830 1.00 0.00 C ATOM 539 CD1 PHE A 87 -12.683 -0.187 -6.825 1.00 0.00 C ATOM 540 CD2 PHE A 87 -10.717 -1.322 -6.095 1.00 0.00 C ATOM 541 CE1 PHE A 87 -12.103 0.028 -8.061 1.00 0.00 C ATOM 542 CE2 PHE A 87 -10.132 -1.109 -7.329 1.00 0.00 C ATOM 543 CZ PHE A 87 -10.826 -0.432 -8.313 1.00 0.00 C ATOM 0 H PHE A 87 -11.167 0.692 -3.326 1.00 0.00 H new ATOM 0 HA PHE A 87 -13.876 0.654 -4.473 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.903 -1.575 -3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -13.461 -1.794 -4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.681 0.177 -6.633 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -10.170 -1.851 -5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -12.649 0.556 -8.829 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.133 -1.471 -7.524 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.370 -0.263 -9.278 1.00 0.00 H new ATOM 553 N CYS A 88 -13.147 -0.979 -1.693 1.00 0.00 N ATOM 554 CA CYS A 88 -13.679 -1.382 -0.397 1.00 0.00 C ATOM 555 C CYS A 88 -13.717 -0.199 0.567 1.00 0.00 C ATOM 556 O CYS A 88 -14.562 -0.139 1.460 1.00 0.00 O ATOM 557 CB CYS A 88 -12.834 -2.511 0.197 1.00 0.00 C ATOM 558 SG CYS A 88 -11.206 -1.975 0.815 1.00 0.00 S ATOM 0 H CYS A 88 -12.237 -1.381 -1.918 1.00 0.00 H new ATOM 0 HA CYS A 88 -14.698 -1.740 -0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -13.387 -2.973 1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.688 -3.279 -0.562 1.00 0.00 H new ATOM 563 N TYR A 89 -12.795 0.739 0.380 1.00 0.00 N ATOM 564 CA TYR A 89 -12.721 1.919 1.233 1.00 0.00 C ATOM 565 C TYR A 89 -12.251 1.547 2.636 1.00 0.00 C ATOM 566 O TYR A 89 -12.899 1.883 3.628 1.00 0.00 O ATOM 567 CB TYR A 89 -14.085 2.608 1.305 1.00 0.00 C ATOM 568 CG TYR A 89 -14.000 4.087 1.607 1.00 0.00 C ATOM 569 CD1 TYR A 89 -13.346 4.957 0.743 1.00 0.00 C ATOM 570 CD2 TYR A 89 -14.575 4.616 2.757 1.00 0.00 C ATOM 571 CE1 TYR A 89 -13.266 6.309 1.015 1.00 0.00 C ATOM 572 CE2 TYR A 89 -14.501 5.967 3.036 1.00 0.00 C ATOM 573 CZ TYR A 89 -13.845 6.809 2.163 1.00 0.00 C ATOM 574 OH TYR A 89 -13.768 8.155 2.437 1.00 0.00 O ATOM 0 H TYR A 89 -12.088 0.705 -0.355 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.997 2.607 0.797 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -14.604 2.468 0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -14.688 2.123 2.073 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -12.892 4.569 -0.157 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.088 3.960 3.444 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.753 6.971 0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -14.955 6.362 3.933 1.00 0.00 H new ATOM 0 HH TYR A 89 -14.227 8.344 3.282 1.00 0.00 H new ATOM 584 N GLN A 90 -11.121 0.853 2.710 1.00 0.00 N ATOM 585 CA GLN A 90 -10.563 0.435 3.991 1.00 0.00 C ATOM 586 C GLN A 90 -9.173 1.027 4.199 1.00 0.00 C ATOM 587 O GLN A 90 -8.306 0.919 3.331 1.00 0.00 O ATOM 588 CB GLN A 90 -10.499 -1.091 4.070 1.00 0.00 C ATOM 589 CG GLN A 90 -9.819 -1.607 5.329 1.00 0.00 C ATOM 590 CD GLN A 90 -10.470 -1.090 6.597 1.00 0.00 C ATOM 591 OE1 GLN A 90 -9.870 -0.320 7.347 1.00 0.00 O ATOM 592 NE2 GLN A 90 -11.704 -1.513 6.843 1.00 0.00 N ATOM 0 H GLN A 90 -10.573 0.568 1.898 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.216 0.805 4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.512 -1.492 4.024 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.966 -1.470 3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.844 -2.697 5.330 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.770 -1.312 5.318 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -12.163 -2.151 6.193 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.193 -1.200 7.682 1.00 0.00 H new ATOM 601 N ARG A 91 -8.967 1.651 5.354 1.00 0.00 N ATOM 602 CA ARG A 91 -7.682 2.261 5.674 1.00 0.00 C ATOM 603 C ARG A 91 -6.601 1.196 5.837 1.00 0.00 C ATOM 604 O ARG A 91 -6.651 0.383 6.758 1.00 0.00 O ATOM 605 CB ARG A 91 -7.792 3.091 6.954 1.00 0.00 C ATOM 606 CG ARG A 91 -8.530 4.406 6.766 1.00 0.00 C ATOM 607 CD ARG A 91 -7.698 5.403 5.975 1.00 0.00 C ATOM 608 NE ARG A 91 -8.471 6.583 5.598 1.00 0.00 N ATOM 609 CZ ARG A 91 -8.706 7.601 6.418 1.00 0.00 C ATOM 610 NH1 ARG A 91 -8.229 7.583 7.655 1.00 0.00 N ATOM 611 NH2 ARG A 91 -9.418 8.641 6.002 1.00 0.00 N ATOM 0 H ARG A 91 -9.673 1.747 6.084 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.403 2.915 4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.304 2.503 7.716 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.790 3.297 7.330 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.472 4.225 6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.777 4.828 7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.837 5.708 6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.311 4.921 5.077 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.852 6.628 4.653 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.680 6.786 7.978 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.411 8.366 8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.786 8.660 5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.597 9.422 6.633 1.00 0.00 H new ATOM 625 N ASN A 92 -5.625 1.209 4.935 1.00 0.00 N ATOM 626 CA ASN A 92 -4.532 0.244 4.978 1.00 0.00 C ATOM 627 C ASN A 92 -3.189 0.950 5.142 1.00 0.00 C ATOM 628 O ASN A 92 -2.932 1.970 4.504 1.00 0.00 O ATOM 629 CB ASN A 92 -4.522 -0.604 3.704 1.00 0.00 C ATOM 630 CG ASN A 92 -5.915 -1.029 3.282 1.00 0.00 C ATOM 631 OD1 ASN A 92 -6.601 -1.752 4.005 1.00 0.00 O ATOM 632 ND2 ASN A 92 -6.340 -0.580 2.107 1.00 0.00 N ATOM 0 H ASN A 92 -5.568 1.877 4.166 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.689 -0.406 5.839 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.058 -0.037 2.897 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.908 -1.490 3.865 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.269 -0.832 1.771 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.737 0.017 1.541 1.00 0.00 H new ATOM 639 N GLN A 93 -2.338 0.399 6.001 1.00 0.00 N ATOM 640 CA GLN A 93 -1.022 0.976 6.249 1.00 0.00 C ATOM 641 C GLN A 93 -0.004 0.464 5.236 1.00 0.00 C ATOM 642 O GLN A 93 -0.162 -0.620 4.675 1.00 0.00 O ATOM 643 CB GLN A 93 -0.557 0.647 7.669 1.00 0.00 C ATOM 644 CG GLN A 93 0.579 1.532 8.157 1.00 0.00 C ATOM 645 CD GLN A 93 0.976 1.234 9.590 1.00 0.00 C ATOM 646 OE1 GLN A 93 0.930 0.086 10.033 1.00 0.00 O ATOM 647 NE2 GLN A 93 1.369 2.269 10.323 1.00 0.00 N ATOM 0 H GLN A 93 -2.536 -0.446 6.537 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.101 2.058 6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.402 0.745 8.351 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.237 -0.394 7.706 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.445 1.397 7.508 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.281 2.577 8.076 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.392 3.204 9.915 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.648 2.130 11.294 1.00 0.00 H new ATOM 656 N PHE A 94 1.042 1.252 5.006 1.00 0.00 N ATOM 657 CA PHE A 94 2.086 0.879 4.059 1.00 0.00 C ATOM 658 C PHE A 94 2.766 -0.420 4.483 1.00 0.00 C ATOM 659 O PHE A 94 2.738 -0.812 5.650 1.00 0.00 O ATOM 660 CB PHE A 94 3.123 1.997 3.945 1.00 0.00 C ATOM 661 CG PHE A 94 2.711 3.105 3.018 1.00 0.00 C ATOM 662 CD1 PHE A 94 1.519 3.783 3.214 1.00 0.00 C ATOM 663 CD2 PHE A 94 3.516 3.468 1.950 1.00 0.00 C ATOM 664 CE1 PHE A 94 1.137 4.802 2.362 1.00 0.00 C ATOM 665 CE2 PHE A 94 3.140 4.487 1.095 1.00 0.00 C ATOM 666 CZ PHE A 94 1.949 5.155 1.302 1.00 0.00 C ATOM 0 H PHE A 94 1.189 2.152 5.462 1.00 0.00 H new ATOM 0 HA PHE A 94 1.621 0.724 3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.308 2.413 4.936 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.065 1.574 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.881 3.512 4.042 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.448 2.949 1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.204 5.322 2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.777 4.760 0.266 1.00 0.00 H new ATOM 0 HZ PHE A 94 1.653 5.952 0.636 1.00 0.00 H new ATOM 676 N PRO A 95 3.392 -1.104 3.514 1.00 0.00 N ATOM 677 CA PRO A 95 4.091 -2.368 3.761 1.00 0.00 C ATOM 678 C PRO A 95 5.362 -2.176 4.581 1.00 0.00 C ATOM 679 O PRO A 95 5.839 -1.059 4.780 1.00 0.00 O ATOM 680 CB PRO A 95 4.432 -2.866 2.355 1.00 0.00 C ATOM 681 CG PRO A 95 4.485 -1.634 1.519 1.00 0.00 C ATOM 682 CD PRO A 95 3.465 -0.695 2.101 1.00 0.00 C ATOM 0 HA PRO A 95 3.483 -3.064 4.338 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.385 -3.394 2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.677 -3.562 1.988 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.481 -1.191 1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.258 -1.859 0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.773 0.346 1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.500 -0.792 1.604 1.00 0.00 H new ATOM 690 N PRO A 96 5.926 -3.291 5.069 1.00 0.00 N ATOM 691 CA PRO A 96 7.151 -3.271 5.875 1.00 0.00 C ATOM 692 C PRO A 96 8.379 -2.892 5.054 1.00 0.00 C ATOM 693 O PRO A 96 9.281 -2.215 5.546 1.00 0.00 O ATOM 694 CB PRO A 96 7.268 -4.713 6.377 1.00 0.00 C ATOM 695 CG PRO A 96 6.534 -5.526 5.368 1.00 0.00 C ATOM 696 CD PRO A 96 5.412 -4.657 4.871 1.00 0.00 C ATOM 0 HA PRO A 96 7.102 -2.530 6.672 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.310 -5.023 6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.830 -4.824 7.369 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.192 -5.819 4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.149 -6.444 5.812 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.185 -4.853 3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.493 -4.826 5.433 1.00 0.00 H new ATOM 704 N SER A 97 8.406 -3.332 3.800 1.00 0.00 N ATOM 705 CA SER A 97 9.525 -3.041 2.912 1.00 0.00 C ATOM 706 C SER A 97 9.037 -2.405 1.614 1.00 0.00 C ATOM 707 O SER A 97 8.459 -3.076 0.759 1.00 0.00 O ATOM 708 CB SER A 97 10.305 -4.321 2.604 1.00 0.00 C ATOM 709 OG SER A 97 11.522 -4.029 1.939 1.00 0.00 O ATOM 0 H SER A 97 7.666 -3.891 3.376 1.00 0.00 H new ATOM 0 HA SER A 97 10.184 -2.335 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.513 -4.856 3.531 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.698 -4.981 1.984 1.00 0.00 H new ATOM 0 HG SER A 97 12.002 -4.863 1.755 1.00 0.00 H new ATOM 715 N TYR A 98 9.274 -1.105 1.474 1.00 0.00 N ATOM 716 CA TYR A 98 8.858 -0.376 0.283 1.00 0.00 C ATOM 717 C TYR A 98 10.031 0.384 -0.329 1.00 0.00 C ATOM 718 O TYR A 98 9.909 1.557 -0.682 1.00 0.00 O ATOM 719 CB TYR A 98 7.728 0.597 0.624 1.00 0.00 C ATOM 720 CG TYR A 98 8.176 1.780 1.452 1.00 0.00 C ATOM 721 CD1 TYR A 98 8.306 1.677 2.832 1.00 0.00 C ATOM 722 CD2 TYR A 98 8.469 3.000 0.856 1.00 0.00 C ATOM 723 CE1 TYR A 98 8.715 2.755 3.593 1.00 0.00 C ATOM 724 CE2 TYR A 98 8.880 4.083 1.610 1.00 0.00 C ATOM 725 CZ TYR A 98 9.001 3.955 2.978 1.00 0.00 C ATOM 726 OH TYR A 98 9.409 5.032 3.732 1.00 0.00 O ATOM 0 H TYR A 98 9.752 -0.535 2.172 1.00 0.00 H new ATOM 0 HA TYR A 98 8.497 -1.100 -0.447 1.00 0.00 H new ATOM 0 HB2 TYR A 98 7.281 0.960 -0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.949 0.060 1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 98 8.084 0.738 3.318 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.374 3.104 -0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.810 2.658 4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.105 5.024 1.131 1.00 0.00 H new ATOM 0 HH TYR A 98 9.571 5.800 3.145 1.00 0.00 H new ATOM 736 N ALA A 99 11.167 -0.294 -0.451 1.00 0.00 N ATOM 737 CA ALA A 99 12.362 0.315 -1.022 1.00 0.00 C ATOM 738 C ALA A 99 12.404 0.128 -2.535 1.00 0.00 C ATOM 739 O ALA A 99 12.699 1.064 -3.278 1.00 0.00 O ATOM 740 CB ALA A 99 13.611 -0.272 -0.381 1.00 0.00 C ATOM 0 H ALA A 99 11.285 -1.265 -0.162 1.00 0.00 H new ATOM 0 HA ALA A 99 12.329 1.385 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 99 14.496 0.192 -0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 99 13.593 -0.082 0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 99 13.640 -1.347 -0.559 1.00 0.00 H new ATOM 746 N GLY A 100 12.107 -1.087 -2.985 1.00 0.00 N ATOM 747 CA GLY A 100 12.117 -1.374 -4.408 1.00 0.00 C ATOM 748 C GLY A 100 10.723 -1.406 -5.003 1.00 0.00 C ATOM 749 O GLY A 100 10.363 -2.351 -5.707 1.00 0.00 O ATOM 0 H GLY A 100 11.860 -1.878 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.711 -0.620 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 100 12.604 -2.334 -4.578 1.00 0.00 H new ATOM 753 N ILE A 101 9.936 -0.374 -4.719 1.00 0.00 N ATOM 754 CA ILE A 101 8.574 -0.289 -5.231 1.00 0.00 C ATOM 755 C ILE A 101 8.467 0.754 -6.338 1.00 0.00 C ATOM 756 O ILE A 101 8.802 1.922 -6.139 1.00 0.00 O ATOM 757 CB ILE A 101 7.574 0.060 -4.114 1.00 0.00 C ATOM 758 CG1 ILE A 101 8.003 -0.586 -2.795 1.00 0.00 C ATOM 759 CG2 ILE A 101 6.172 -0.389 -4.499 1.00 0.00 C ATOM 760 CD1 ILE A 101 8.274 -2.070 -2.910 1.00 0.00 C ATOM 0 H ILE A 101 10.218 0.415 -4.137 1.00 0.00 H new ATOM 0 HA ILE A 101 8.327 -1.271 -5.635 1.00 0.00 H new ATOM 0 HB ILE A 101 7.564 1.142 -3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.902 -0.088 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.224 -0.424 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.476 -0.135 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.868 0.114 -5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.166 -1.468 -4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.573 -2.462 -1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.370 -2.580 -3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 101 9.074 -2.239 -3.631 1.00 0.00 H new ATOM 772 N SER A 102 7.997 0.325 -7.505 1.00 0.00 N ATOM 773 CA SER A 102 7.847 1.222 -8.645 1.00 0.00 C ATOM 774 C SER A 102 6.514 1.962 -8.583 1.00 0.00 C ATOM 775 O SER A 102 6.475 3.191 -8.565 1.00 0.00 O ATOM 776 CB SER A 102 7.947 0.437 -9.955 1.00 0.00 C ATOM 777 OG SER A 102 7.026 -0.640 -9.975 1.00 0.00 O ATOM 0 H SER A 102 7.714 -0.638 -7.686 1.00 0.00 H new ATOM 0 HA SER A 102 8.652 1.956 -8.607 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.753 1.102 -10.797 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.961 0.055 -10.078 1.00 0.00 H new ATOM 0 HG SER A 102 7.108 -1.125 -10.823 1.00 0.00 H new ATOM 783 N GLU A 103 5.424 1.202 -8.551 1.00 0.00 N ATOM 784 CA GLU A 103 4.088 1.785 -8.491 1.00 0.00 C ATOM 785 C GLU A 103 4.049 2.957 -7.514 1.00 0.00 C ATOM 786 O GLU A 103 3.398 3.971 -7.769 1.00 0.00 O ATOM 787 CB GLU A 103 3.063 0.727 -8.077 1.00 0.00 C ATOM 788 CG GLU A 103 3.348 0.101 -6.722 1.00 0.00 C ATOM 789 CD GLU A 103 2.613 -1.210 -6.519 1.00 0.00 C ATOM 790 OE1 GLU A 103 1.545 -1.394 -7.139 1.00 0.00 O ATOM 791 OE2 GLU A 103 3.108 -2.052 -5.741 1.00 0.00 O ATOM 0 H GLU A 103 5.439 0.182 -8.566 1.00 0.00 H new ATOM 0 HA GLU A 103 3.836 2.154 -9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.072 1.181 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.038 -0.058 -8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.420 -0.069 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.062 0.799 -5.936 1.00 0.00 H new ATOM 798 N LEU A 104 4.751 2.810 -6.396 1.00 0.00 N ATOM 799 CA LEU A 104 4.797 3.855 -5.379 1.00 0.00 C ATOM 800 C LEU A 104 5.418 5.131 -5.938 1.00 0.00 C ATOM 801 O LEU A 104 4.805 6.198 -5.903 1.00 0.00 O ATOM 802 CB LEU A 104 5.593 3.377 -4.164 1.00 0.00 C ATOM 803 CG LEU A 104 5.153 3.936 -2.810 1.00 0.00 C ATOM 804 CD1 LEU A 104 5.774 3.138 -1.675 1.00 0.00 C ATOM 805 CD2 LEU A 104 5.525 5.408 -2.695 1.00 0.00 C ATOM 0 H LEU A 104 5.296 1.978 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 104 3.774 4.074 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.535 2.289 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.641 3.634 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 104 4.069 3.848 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.449 3.551 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.458 2.097 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.860 3.193 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.205 5.790 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.605 5.519 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.032 5.971 -3.487 1.00 0.00 H new ATOM 817 N ASN A 105 6.636 5.013 -6.454 1.00 0.00 N ATOM 818 CA ASN A 105 7.340 6.158 -7.022 1.00 0.00 C ATOM 819 C ASN A 105 6.714 6.577 -8.350 1.00 0.00 C ATOM 820 O ASN A 105 7.222 6.240 -9.419 1.00 0.00 O ATOM 821 CB ASN A 105 8.819 5.824 -7.226 1.00 0.00 C ATOM 822 CG ASN A 105 9.605 6.996 -7.781 1.00 0.00 C ATOM 823 OD1 ASN A 105 9.095 8.113 -7.870 1.00 0.00 O ATOM 824 ND2 ASN A 105 10.853 6.746 -8.158 1.00 0.00 N ATOM 0 H ASN A 105 7.157 4.137 -6.491 1.00 0.00 H new ATOM 0 HA ASN A 105 7.255 6.989 -6.322 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.254 5.516 -6.275 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.907 4.977 -7.906 1.00 0.00 H new ATOM 0 HD21 ASN A 105 11.430 7.495 -8.540 1.00 0.00 H new ATOM 0 HD22 ASN A 105 11.235 5.805 -8.066 1.00 0.00 H new ATOM 831 N GLN A 106 5.610 7.313 -8.271 1.00 0.00 N ATOM 832 CA GLN A 106 4.916 7.777 -9.466 1.00 0.00 C ATOM 833 C GLN A 106 4.791 9.297 -9.467 1.00 0.00 C ATOM 834 O GLN A 106 4.515 9.922 -8.442 1.00 0.00 O ATOM 835 CB GLN A 106 3.528 7.140 -9.556 1.00 0.00 C ATOM 836 CG GLN A 106 2.733 7.581 -10.774 1.00 0.00 C ATOM 837 CD GLN A 106 3.020 6.732 -11.997 1.00 0.00 C ATOM 838 OE1 GLN A 106 4.130 6.229 -12.171 1.00 0.00 O ATOM 839 NE2 GLN A 106 2.017 6.568 -12.852 1.00 0.00 N ATOM 0 H GLN A 106 5.178 7.600 -7.393 1.00 0.00 H new ATOM 0 HA GLN A 106 5.502 7.478 -10.335 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.636 6.056 -9.576 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.965 7.387 -8.656 1.00 0.00 H new ATOM 0 HG2 GLN A 106 1.668 7.533 -10.545 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.965 8.622 -10.997 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.113 7.004 -12.668 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.150 6.006 -13.693 1.00 0.00 H new ATOM 848 N PRO A 107 4.999 9.908 -10.643 1.00 0.00 N ATOM 849 CA PRO A 107 4.914 11.362 -10.805 1.00 0.00 C ATOM 850 C PRO A 107 3.485 11.878 -10.679 1.00 0.00 C ATOM 851 O PRO A 107 2.562 11.331 -11.282 1.00 0.00 O ATOM 852 CB PRO A 107 5.442 11.592 -12.224 1.00 0.00 C ATOM 853 CG PRO A 107 5.184 10.310 -12.936 1.00 0.00 C ATOM 854 CD PRO A 107 5.331 9.226 -11.905 1.00 0.00 C ATOM 0 HA PRO A 107 5.475 11.891 -10.035 1.00 0.00 H new ATOM 0 HB2 PRO A 107 4.929 12.424 -12.707 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.505 11.834 -12.217 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.185 10.300 -13.372 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.891 10.169 -13.754 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.657 8.392 -12.100 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.343 8.821 -11.889 1.00 0.00 H new ATOM 862 N ALA A 108 3.309 12.934 -9.890 1.00 0.00 N ATOM 863 CA ALA A 108 1.992 13.524 -9.687 1.00 0.00 C ATOM 864 C ALA A 108 1.882 14.875 -10.386 1.00 0.00 C ATOM 865 O ALA A 108 0.954 15.642 -10.132 1.00 0.00 O ATOM 866 CB ALA A 108 1.704 13.672 -8.200 1.00 0.00 C ATOM 0 H ALA A 108 4.062 13.398 -9.382 1.00 0.00 H new ATOM 0 HA ALA A 108 1.250 12.856 -10.125 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.717 14.114 -8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.732 12.692 -7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.457 14.317 -7.746 1.00 0.00 H new TER 872 ALA A 108 HETATM 873 ZN ZN A 200 -9.693 -2.725 -0.820 1.00 0.00 ZN