USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 564 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 67 ASN : amide:sc= 0.0311 X(o=0.061,f=0) USER MOD Set 1.2: A 69 GLN : amide:sc= 0.0295 X(o=0.061,f=0) USER MOD Set 2.1: A 24 HIS : no HD1:sc=-0.00303 X(o=-4.4,f=-4) USER MOD Set 2.2: A 49 ASN : amide:sc= -4.39! C(o=-4.4!,f=-4!) USER MOD Set 3.1: A 23 GLN : amide:sc= -0.858! C(o=-6.6!,f=-10!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -5.78! C(o=-6.6!,f=-7.3!) USER MOD Set 4.1: A 16 THR OG1 : rot 164:sc= 0.364 USER MOD Set 4.2: A 20 HIS : no HD1:sc= -0.179 K(o=0.19,f=-3.6!) USER MOD Set 5.1: A 3 LYS NZ :NH3+ -138:sc= 2.59 (180deg=0.576) USER MOD Set 5.2: A 8 ASN : amide:sc= 0.946 K(o=3.5,f=-10!) USER MOD Single : A 1 CYS N :NH3+ -112:sc= -2.03! (180deg=-4.01!) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.058 USER MOD Single : A 5 THR OG1 : rot 102:sc= 1.32 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -10.9! C(o=-11!,f=-16!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0235 USER MOD Single : A 28 GLN : amide:sc= 0.933 K(o=0.93,f=-0.33) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-0.25) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0963 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.856 K(o=0.86,f=-0.23) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.328) USER MOD Single : A 45 ASN : amide:sc= -2.1 X(o=-2.1,f=-1.8!) USER MOD Single : A 50 TYR OH : rot 98:sc= 0.453 USER MOD Single : A 53 ASN : amide:sc= 2.86 K(o=2.9,f=-14!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-2.4) USER MOD Single : A 65 THR OG1 : rot -82:sc= -0.7 USER MOD Single : A 66 THR OG1 : rot 131:sc= -1.95! USER MOD Single : A 68 SER OG : rot -42:sc= 0.184 USER MOD Single : A 74 TYR OH : rot 166:sc= 0.989 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 1 10.791 27.150 -20.976 1.00 0.00 N ATOM 56 CA CYS A 1 11.473 26.982 -19.693 1.00 0.00 C ATOM 57 C CYS A 1 10.542 26.379 -18.644 1.00 0.00 C ATOM 58 O CYS A 1 9.322 26.380 -18.802 1.00 0.00 O ATOM 59 CB CYS A 1 12.031 28.319 -19.198 1.00 0.00 C ATOM 60 SG CYS A 1 10.835 29.694 -19.223 1.00 0.00 S ATOM 0 H1 CYS A 1 11.197 26.494 -21.674 1.00 0.00 H new ATOM 0 H2 CYS A 1 9.778 26.947 -20.860 1.00 0.00 H new ATOM 0 H3 CYS A 1 10.912 28.128 -21.308 1.00 0.00 H new ATOM 0 HA CYS A 1 12.302 26.291 -19.848 1.00 0.00 H new ATOM 0 HB2 CYS A 1 12.396 28.191 -18.179 1.00 0.00 H new ATOM 0 HB3 CYS A 1 12.889 28.590 -19.813 1.00 0.00 H new ATOM 0 HG CYS A 1 11.408 30.775 -18.784 1.00 0.00 H new ATOM 65 N LEU A 2 11.134 25.829 -17.590 1.00 0.00 N ATOM 66 CA LEU A 2 10.380 25.201 -16.513 1.00 0.00 C ATOM 67 C LEU A 2 9.855 26.223 -15.511 1.00 0.00 C ATOM 68 O LEU A 2 10.502 27.237 -15.242 1.00 0.00 O ATOM 69 CB LEU A 2 11.270 24.200 -15.790 1.00 0.00 C ATOM 70 CG LEU A 2 10.622 23.422 -14.661 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.472 22.599 -15.190 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.653 22.539 -13.976 1.00 0.00 C ATOM 0 H LEU A 2 12.145 25.806 -17.459 1.00 0.00 H new ATOM 0 HA LEU A 2 9.521 24.698 -16.958 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.650 23.488 -16.523 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.131 24.734 -15.388 1.00 0.00 H new ATOM 0 HG LEU A 2 10.229 24.123 -13.924 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.014 22.045 -14.371 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.730 23.258 -15.641 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.840 21.899 -15.940 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.177 21.985 -13.167 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.070 21.839 -14.699 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.452 23.160 -13.570 1.00 0.00 H new ATOM 84 N LYS A 3 8.696 25.912 -14.944 1.00 0.00 N ATOM 85 CA LYS A 3 8.056 26.745 -13.934 1.00 0.00 C ATOM 86 C LYS A 3 8.377 26.222 -12.531 1.00 0.00 C ATOM 87 O LYS A 3 7.486 26.065 -11.689 1.00 0.00 O ATOM 88 CB LYS A 3 6.539 26.747 -14.154 1.00 0.00 C ATOM 89 CG LYS A 3 5.942 25.346 -14.128 1.00 0.00 C ATOM 90 CD LYS A 3 4.423 25.345 -14.209 1.00 0.00 C ATOM 91 CE LYS A 3 3.799 26.160 -13.083 1.00 0.00 C ATOM 92 NZ LYS A 3 2.325 25.980 -13.007 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.170 25.069 -15.174 1.00 0.00 H new ATOM 0 HA LYS A 3 8.436 27.763 -14.023 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.065 27.355 -13.383 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.315 27.216 -15.112 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.345 24.770 -14.961 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.252 24.842 -13.212 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.109 25.752 -15.170 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.057 24.319 -14.162 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.248 25.868 -12.134 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.027 27.215 -13.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.871 26.900 -12.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.977 25.586 -13.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.094 25.329 -12.230 1.00 0.00 H new ATOM 106 N GLY A 4 9.647 25.925 -12.297 1.00 0.00 N ATOM 107 CA GLY A 4 10.068 25.409 -11.006 1.00 0.00 C ATOM 108 C GLY A 4 9.626 23.975 -10.785 1.00 0.00 C ATOM 109 O GLY A 4 10.372 23.039 -11.063 1.00 0.00 O ATOM 0 H GLY A 4 10.398 26.032 -12.979 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.154 25.467 -10.931 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.659 26.038 -10.215 1.00 0.00 H new ATOM 113 N THR A 5 8.403 23.809 -10.299 1.00 0.00 N ATOM 114 CA THR A 5 7.840 22.490 -10.057 1.00 0.00 C ATOM 115 C THR A 5 7.340 21.878 -11.361 1.00 0.00 C ATOM 116 O THR A 5 7.302 20.661 -11.501 1.00 0.00 O ATOM 117 CB THR A 5 6.684 22.576 -9.045 1.00 0.00 C ATOM 118 OG1 THR A 5 5.853 23.708 -9.350 1.00 0.00 O ATOM 119 CG2 THR A 5 7.216 22.698 -7.625 1.00 0.00 C ATOM 0 H THR A 5 7.778 24.580 -10.063 1.00 0.00 H new ATOM 0 HA THR A 5 8.624 21.854 -9.645 1.00 0.00 H new ATOM 0 HB THR A 5 6.095 21.661 -9.117 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.046 23.405 -9.816 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.381 22.757 -6.927 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.825 21.826 -7.388 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.824 23.599 -7.540 1.00 0.00 H new ATOM 127 N GLY A 6 6.969 22.731 -12.306 1.00 0.00 N ATOM 128 CA GLY A 6 6.659 22.276 -13.650 1.00 0.00 C ATOM 129 C GLY A 6 5.545 21.256 -13.737 1.00 0.00 C ATOM 130 O GLY A 6 5.774 20.119 -14.153 1.00 0.00 O ATOM 0 H GLY A 6 6.876 23.737 -12.166 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.389 23.140 -14.257 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.560 21.847 -14.089 1.00 0.00 H new ATOM 134 N GLU A 7 4.344 21.663 -13.368 1.00 0.00 N ATOM 135 CA GLU A 7 3.171 20.827 -13.566 1.00 0.00 C ATOM 136 C GLU A 7 2.720 20.980 -15.005 1.00 0.00 C ATOM 137 O GLU A 7 2.853 20.074 -15.824 1.00 0.00 O ATOM 138 CB GLU A 7 2.034 21.228 -12.629 1.00 0.00 C ATOM 139 CG GLU A 7 2.502 21.675 -11.262 1.00 0.00 C ATOM 140 CD GLU A 7 2.908 23.134 -11.253 1.00 0.00 C ATOM 141 OE1 GLU A 7 2.017 24.002 -11.253 1.00 0.00 O ATOM 142 OE2 GLU A 7 4.124 23.418 -11.297 1.00 0.00 O1- ATOM 0 H GLU A 7 4.154 22.565 -12.931 1.00 0.00 H new ATOM 0 HA GLU A 7 3.431 19.792 -13.346 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.463 22.034 -13.089 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.356 20.383 -12.513 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.705 21.515 -10.535 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.347 21.061 -10.949 1.00 0.00 H new ATOM 149 N ASN A 8 2.216 22.163 -15.305 1.00 0.00 N ATOM 150 CA ASN A 8 1.853 22.530 -16.653 1.00 0.00 C ATOM 151 C ASN A 8 2.856 23.536 -17.208 1.00 0.00 C ATOM 152 O ASN A 8 2.478 24.499 -17.868 1.00 0.00 O ATOM 153 CB ASN A 8 0.435 23.105 -16.685 1.00 0.00 C ATOM 154 CG ASN A 8 0.175 24.122 -15.589 1.00 0.00 C ATOM 155 OD1 ASN A 8 1.093 24.788 -15.106 1.00 0.00 O ATOM 156 ND2 ASN A 8 -1.081 24.252 -15.187 1.00 0.00 N ATOM 0 H ASN A 8 2.048 22.896 -14.615 1.00 0.00 H new ATOM 0 HA ASN A 8 1.873 21.638 -17.280 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.262 23.573 -17.654 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.282 22.290 -16.592 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.315 24.921 -14.454 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.814 23.683 -15.611 1.00 0.00 H new ATOM 163 N TYR A 9 4.139 23.317 -16.883 1.00 0.00 N ATOM 164 CA TYR A 9 5.246 24.114 -17.423 1.00 0.00 C ATOM 165 C TYR A 9 5.044 24.445 -18.910 1.00 0.00 C ATOM 166 O TYR A 9 4.816 25.598 -19.258 1.00 0.00 O ATOM 167 CB TYR A 9 6.601 23.403 -17.188 1.00 0.00 C ATOM 168 CG TYR A 9 6.755 22.036 -17.850 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.736 21.088 -17.822 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.920 21.713 -18.534 1.00 0.00 C ATOM 171 CE1 TYR A 9 5.880 19.865 -18.448 1.00 0.00 C ATOM 172 CE2 TYR A 9 8.067 20.497 -19.168 1.00 0.00 C ATOM 173 CZ TYR A 9 7.045 19.577 -19.124 1.00 0.00 C ATOM 174 OH TYR A 9 7.180 18.374 -19.771 1.00 0.00 O ATOM 0 H TYR A 9 4.436 22.583 -16.240 1.00 0.00 H new ATOM 0 HA TYR A 9 5.259 25.061 -16.884 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.399 24.053 -17.548 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.747 23.285 -16.114 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.817 21.313 -17.302 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.728 22.429 -18.570 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.083 19.138 -18.408 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.980 20.268 -19.697 1.00 0.00 H new ATOM 0 HH TYR A 9 8.061 18.330 -20.199 1.00 0.00 H new ATOM 184 N ARG A 10 5.145 23.445 -19.783 1.00 0.00 N ATOM 185 CA ARG A 10 4.825 23.634 -21.188 1.00 0.00 C ATOM 186 C ARG A 10 4.107 22.396 -21.716 1.00 0.00 C ATOM 187 O ARG A 10 3.010 22.482 -22.260 1.00 0.00 O ATOM 188 CB ARG A 10 6.080 23.888 -22.034 1.00 0.00 C ATOM 189 CG ARG A 10 7.111 24.822 -21.418 1.00 0.00 C ATOM 190 CD ARG A 10 8.145 24.039 -20.624 1.00 0.00 C ATOM 191 NE ARG A 10 9.514 24.362 -21.031 1.00 0.00 N ATOM 192 CZ ARG A 10 10.440 23.455 -21.359 1.00 0.00 C ATOM 193 NH1 ARG A 10 10.203 22.163 -21.189 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 11.628 23.838 -21.809 1.00 0.00 N ATOM 0 H ARG A 10 5.445 22.501 -19.540 1.00 0.00 H new ATOM 0 HA ARG A 10 4.183 24.512 -21.266 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.559 22.930 -22.237 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.771 24.300 -22.995 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.606 25.393 -22.204 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.614 25.541 -20.766 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.023 24.252 -19.562 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.970 22.971 -20.757 1.00 0.00 H new ATOM 0 HE ARG A 10 9.779 25.346 -21.067 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.310 21.855 -20.806 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.914 21.477 -21.441 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.840 24.831 -21.907 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.329 23.140 -22.057 1.00 0.00 H new ATOM 208 N GLY A 11 4.738 21.237 -21.528 1.00 0.00 N ATOM 209 CA GLY A 11 4.149 19.981 -21.962 1.00 0.00 C ATOM 210 C GLY A 11 4.855 19.401 -23.170 1.00 0.00 C ATOM 211 O GLY A 11 4.208 18.967 -24.122 1.00 0.00 O ATOM 0 H GLY A 11 5.650 21.147 -21.081 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.186 19.263 -21.143 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.097 20.139 -22.200 1.00 0.00 H new ATOM 215 N ASN A 12 6.186 19.396 -23.133 1.00 0.00 N ATOM 216 CA ASN A 12 6.986 18.930 -24.270 1.00 0.00 C ATOM 217 C ASN A 12 7.764 17.644 -23.953 1.00 0.00 C ATOM 218 O ASN A 12 7.515 16.607 -24.566 1.00 0.00 O ATOM 219 CB ASN A 12 7.943 20.039 -24.723 1.00 0.00 C ATOM 220 CG ASN A 12 8.599 20.729 -23.556 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.656 20.326 -23.087 1.00 0.00 O ATOM 222 ND2 ASN A 12 7.963 21.776 -23.072 1.00 0.00 N ATOM 0 H ASN A 12 6.735 19.708 -22.332 1.00 0.00 H new ATOM 0 HA ASN A 12 6.296 18.690 -25.079 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.710 19.614 -25.371 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.395 20.771 -25.316 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.349 22.284 -22.276 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.084 22.078 -23.493 1.00 0.00 H new ATOM 229 N VAL A 13 8.712 17.713 -23.016 1.00 0.00 N ATOM 230 CA VAL A 13 9.536 16.561 -22.668 1.00 0.00 C ATOM 231 C VAL A 13 8.693 15.385 -22.169 1.00 0.00 C ATOM 232 O VAL A 13 7.885 15.528 -21.249 1.00 0.00 O ATOM 233 CB VAL A 13 10.582 16.948 -21.606 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.363 15.734 -21.137 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.521 18.006 -22.160 1.00 0.00 C ATOM 0 H VAL A 13 8.926 18.558 -22.486 1.00 0.00 H new ATOM 0 HA VAL A 13 10.047 16.242 -23.577 1.00 0.00 H new ATOM 0 HB VAL A 13 10.057 17.359 -20.743 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.094 16.039 -20.388 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.678 15.007 -20.701 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.879 15.284 -21.985 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.257 18.273 -21.401 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.032 17.614 -23.039 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.949 18.891 -22.437 1.00 0.00 H new ATOM 245 N ALA A 14 8.896 14.230 -22.795 1.00 0.00 N ATOM 246 CA ALA A 14 8.163 13.016 -22.456 1.00 0.00 C ATOM 247 C ALA A 14 9.133 11.885 -22.100 1.00 0.00 C ATOM 248 O ALA A 14 8.803 10.697 -22.194 1.00 0.00 O ATOM 249 CB ALA A 14 7.273 12.616 -23.622 1.00 0.00 C ATOM 0 H ALA A 14 9.572 14.110 -23.550 1.00 0.00 H new ATOM 0 HA ALA A 14 7.537 13.208 -21.584 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.726 11.708 -23.367 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.566 13.419 -23.833 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.888 12.434 -24.503 1.00 0.00 H new ATOM 255 N VAL A 15 10.336 12.274 -21.701 1.00 0.00 N ATOM 256 CA VAL A 15 11.391 11.337 -21.326 1.00 0.00 C ATOM 257 C VAL A 15 12.072 11.851 -20.067 1.00 0.00 C ATOM 258 O VAL A 15 12.237 13.060 -19.905 1.00 0.00 O ATOM 259 CB VAL A 15 12.437 11.184 -22.460 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.583 10.272 -22.037 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.781 10.649 -23.725 1.00 0.00 C ATOM 0 H VAL A 15 10.611 13.253 -21.627 1.00 0.00 H new ATOM 0 HA VAL A 15 10.947 10.358 -21.148 1.00 0.00 H new ATOM 0 HB VAL A 15 12.848 12.172 -22.667 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.299 10.185 -22.854 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.079 10.693 -21.162 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.191 9.285 -21.792 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.531 10.549 -24.509 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.337 9.675 -23.521 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.004 11.340 -24.052 1.00 0.00 H new ATOM 271 N THR A 16 12.450 10.944 -19.177 1.00 0.00 N ATOM 272 CA THR A 16 13.071 11.327 -17.914 1.00 0.00 C ATOM 273 C THR A 16 14.397 12.061 -18.137 1.00 0.00 C ATOM 274 O THR A 16 14.859 12.193 -19.270 1.00 0.00 O ATOM 275 CB THR A 16 13.334 10.096 -17.023 1.00 0.00 C ATOM 276 OG1 THR A 16 14.244 9.201 -17.679 1.00 0.00 O ATOM 277 CG2 THR A 16 12.040 9.361 -16.696 1.00 0.00 C ATOM 0 H THR A 16 12.338 9.938 -19.305 1.00 0.00 H new ATOM 0 HA THR A 16 12.369 11.996 -17.415 1.00 0.00 H new ATOM 0 HB THR A 16 13.773 10.447 -16.089 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.608 8.567 -17.026 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.260 8.499 -16.067 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.364 10.033 -16.167 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.569 9.025 -17.620 1.00 0.00 H new ATOM 285 N VAL A 17 15.016 12.524 -17.056 1.00 0.00 N ATOM 286 CA VAL A 17 16.326 13.160 -17.140 1.00 0.00 C ATOM 287 C VAL A 17 17.358 12.212 -17.776 1.00 0.00 C ATOM 288 O VAL A 17 18.288 12.649 -18.460 1.00 0.00 O ATOM 289 CB VAL A 17 16.792 13.654 -15.746 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.707 12.550 -14.701 1.00 0.00 C ATOM 291 CG2 VAL A 17 18.197 14.234 -15.811 1.00 0.00 C ATOM 0 H VAL A 17 14.632 12.471 -16.112 1.00 0.00 H new ATOM 0 HA VAL A 17 16.239 14.033 -17.787 1.00 0.00 H new ATOM 0 HB VAL A 17 16.112 14.449 -15.440 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.042 12.934 -13.738 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.676 12.208 -14.617 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.343 11.716 -15.000 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.497 14.572 -14.819 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.891 13.469 -16.159 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.211 15.077 -16.502 1.00 0.00 H new ATOM 301 N SER A 18 17.169 10.913 -17.572 1.00 0.00 N ATOM 302 CA SER A 18 17.979 9.904 -18.244 1.00 0.00 C ATOM 303 C SER A 18 17.153 9.227 -19.339 1.00 0.00 C ATOM 304 O SER A 18 16.029 9.639 -19.612 1.00 0.00 O ATOM 305 CB SER A 18 18.487 8.876 -17.236 1.00 0.00 C ATOM 306 OG SER A 18 19.218 9.507 -16.202 1.00 0.00 O ATOM 0 H SER A 18 16.460 10.533 -16.945 1.00 0.00 H new ATOM 0 HA SER A 18 18.843 10.384 -18.703 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.645 8.329 -16.811 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.119 8.146 -17.741 1.00 0.00 H new ATOM 0 HG SER A 18 19.533 8.832 -15.565 1.00 0.00 H new ATOM 312 N GLY A 19 17.688 8.171 -19.939 1.00 0.00 N ATOM 313 CA GLY A 19 17.046 7.569 -21.096 1.00 0.00 C ATOM 314 C GLY A 19 15.914 6.612 -20.749 1.00 0.00 C ATOM 315 O GLY A 19 15.784 5.555 -21.369 1.00 0.00 O ATOM 0 H GLY A 19 18.555 7.719 -19.647 1.00 0.00 H new ATOM 0 HA2 GLY A 19 16.655 8.361 -21.735 1.00 0.00 H new ATOM 0 HA3 GLY A 19 17.796 7.032 -21.677 1.00 0.00 H new ATOM 319 N HIS A 20 15.111 6.961 -19.751 1.00 0.00 N ATOM 320 CA HIS A 20 13.917 6.184 -19.432 1.00 0.00 C ATOM 321 C HIS A 20 12.726 6.765 -20.175 1.00 0.00 C ATOM 322 O HIS A 20 12.473 7.969 -20.099 1.00 0.00 O ATOM 323 CB HIS A 20 13.598 6.187 -17.932 1.00 0.00 C ATOM 324 CG HIS A 20 14.762 5.905 -17.037 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.524 6.904 -16.472 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.277 4.740 -16.588 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.463 6.363 -15.719 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.336 5.052 -15.770 1.00 0.00 N ATOM 0 H HIS A 20 15.262 7.772 -19.151 1.00 0.00 H new ATOM 0 HA HIS A 20 14.112 5.156 -19.736 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.182 7.159 -17.666 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.823 5.445 -17.739 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.923 3.748 -16.827 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.210 6.903 -15.156 1.00 0.00 H new ATOM 0 HE2 HIS A 20 16.927 4.379 -15.282 1.00 0.00 H new ATOM 337 N THR A 21 12.000 5.925 -20.882 1.00 0.00 N ATOM 338 CA THR A 21 10.766 6.346 -21.514 1.00 0.00 C ATOM 339 C THR A 21 9.717 6.634 -20.447 1.00 0.00 C ATOM 340 O THR A 21 9.454 5.791 -19.586 1.00 0.00 O ATOM 341 CB THR A 21 10.243 5.257 -22.480 1.00 0.00 C ATOM 342 OG1 THR A 21 11.070 5.193 -23.652 1.00 0.00 O ATOM 343 CG2 THR A 21 8.793 5.505 -22.876 1.00 0.00 C ATOM 0 H THR A 21 12.242 4.946 -21.034 1.00 0.00 H new ATOM 0 HA THR A 21 10.962 7.251 -22.089 1.00 0.00 H new ATOM 0 HB THR A 21 10.287 4.302 -21.956 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.730 4.499 -24.255 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.462 4.719 -23.555 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.167 5.502 -21.984 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.712 6.472 -23.373 1.00 0.00 H new ATOM 351 N CYS A 22 9.161 7.837 -20.462 1.00 0.00 N ATOM 352 CA CYS A 22 8.074 8.155 -19.561 1.00 0.00 C ATOM 353 C CYS A 22 6.837 7.343 -19.925 1.00 0.00 C ATOM 354 O CYS A 22 6.274 7.508 -21.003 1.00 0.00 O ATOM 355 CB CYS A 22 7.744 9.642 -19.592 1.00 0.00 C ATOM 356 SG CYS A 22 8.929 10.693 -18.694 1.00 0.00 S ATOM 0 H CYS A 22 9.443 8.597 -21.081 1.00 0.00 H new ATOM 0 HA CYS A 22 8.392 7.899 -18.550 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.700 9.971 -20.630 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.751 9.791 -19.168 1.00 0.00 H new ATOM 361 N GLN A 23 6.457 6.435 -19.047 1.00 0.00 N ATOM 362 CA GLN A 23 5.214 5.696 -19.185 1.00 0.00 C ATOM 363 C GLN A 23 4.016 6.645 -19.108 1.00 0.00 C ATOM 364 O GLN A 23 3.992 7.570 -18.289 1.00 0.00 O ATOM 365 CB GLN A 23 5.126 4.649 -18.081 1.00 0.00 C ATOM 366 CG GLN A 23 3.759 4.024 -17.950 1.00 0.00 C ATOM 367 CD GLN A 23 3.296 3.991 -16.520 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.539 3.034 -15.790 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.655 5.059 -16.100 1.00 0.00 N ATOM 0 H GLN A 23 6.999 6.188 -18.219 1.00 0.00 H new ATOM 0 HA GLN A 23 5.197 5.202 -20.157 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.858 3.865 -18.276 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.398 5.110 -17.132 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.043 4.585 -18.551 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.783 3.010 -18.348 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.475 5.831 -16.742 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.338 5.116 -15.132 1.00 0.00 H new ATOM 378 N HIS A 24 3.025 6.394 -19.961 1.00 0.00 N ATOM 379 CA HIS A 24 1.833 7.237 -20.058 1.00 0.00 C ATOM 380 C HIS A 24 1.100 7.351 -18.730 1.00 0.00 C ATOM 381 O HIS A 24 1.009 6.393 -17.962 1.00 0.00 O ATOM 382 CB HIS A 24 0.865 6.683 -21.102 1.00 0.00 C ATOM 383 CG HIS A 24 1.360 6.785 -22.512 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.226 5.874 -23.077 1.00 0.00 N ATOM 385 CD2 HIS A 24 1.103 7.700 -23.473 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.480 6.225 -24.322 1.00 0.00 C ATOM 387 NE2 HIS A 24 1.810 7.329 -24.584 1.00 0.00 N ATOM 0 H HIS A 24 3.025 5.602 -20.604 1.00 0.00 H new ATOM 0 HA HIS A 24 2.178 8.228 -20.352 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.663 5.636 -20.874 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.083 7.216 -21.022 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.460 8.563 -23.381 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.126 5.698 -25.009 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.817 7.828 -25.474 1.00 0.00 H new ATOM 396 N TRP A 25 0.583 8.544 -18.470 1.00 0.00 N ATOM 397 CA TRP A 25 -0.223 8.800 -17.285 1.00 0.00 C ATOM 398 C TRP A 25 -1.543 8.049 -17.371 1.00 0.00 C ATOM 399 O TRP A 25 -2.118 7.659 -16.358 1.00 0.00 O ATOM 400 CB TRP A 25 -0.495 10.292 -17.123 1.00 0.00 C ATOM 401 CG TRP A 25 0.743 11.123 -17.010 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.238 11.979 -17.946 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.644 11.172 -15.901 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.386 12.566 -17.482 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.661 12.083 -16.232 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.689 10.537 -14.660 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.712 12.371 -15.367 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.732 10.820 -13.803 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.732 11.730 -14.158 1.00 0.00 C ATOM 0 H TRP A 25 0.710 9.358 -19.072 1.00 0.00 H new ATOM 0 HA TRP A 25 0.336 8.450 -16.417 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.078 10.640 -17.976 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.107 10.446 -16.234 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.792 12.167 -18.911 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.946 13.253 -17.987 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.919 9.835 -14.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.484 13.075 -15.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.777 10.330 -12.841 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.536 11.931 -13.465 1.00 0.00 H new ATOM 420 N SER A 26 -2.017 7.866 -18.594 1.00 0.00 N ATOM 421 CA SER A 26 -3.253 7.146 -18.852 1.00 0.00 C ATOM 422 C SER A 26 -3.044 5.643 -18.691 1.00 0.00 C ATOM 423 O SER A 26 -3.998 4.874 -18.573 1.00 0.00 O ATOM 424 CB SER A 26 -3.716 7.474 -20.267 1.00 0.00 C ATOM 425 OG SER A 26 -2.636 7.361 -21.183 1.00 0.00 O ATOM 0 H SER A 26 -1.555 8.213 -19.435 1.00 0.00 H new ATOM 0 HA SER A 26 -4.014 7.451 -18.134 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.520 6.798 -20.559 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.122 8.485 -20.298 1.00 0.00 H new ATOM 0 HG SER A 26 -2.950 7.573 -22.087 1.00 0.00 H new ATOM 431 N ALA A 27 -1.783 5.241 -18.666 1.00 0.00 N ATOM 432 CA ALA A 27 -1.426 3.840 -18.585 1.00 0.00 C ATOM 433 C ALA A 27 -1.132 3.434 -17.154 1.00 0.00 C ATOM 434 O ALA A 27 -0.283 4.028 -16.493 1.00 0.00 O ATOM 435 CB ALA A 27 -0.213 3.564 -19.452 1.00 0.00 C ATOM 0 H ALA A 27 -0.985 5.875 -18.701 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.272 3.254 -18.943 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.049 2.508 -19.386 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.441 3.817 -20.488 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.626 4.168 -19.107 1.00 0.00 H new ATOM 441 N GLN A 28 -1.842 2.434 -16.668 1.00 0.00 N ATOM 442 CA GLN A 28 -1.548 1.859 -15.364 1.00 0.00 C ATOM 443 C GLN A 28 -0.552 0.713 -15.515 1.00 0.00 C ATOM 444 O GLN A 28 -0.272 -0.032 -14.577 1.00 0.00 O ATOM 445 CB GLN A 28 -2.829 1.384 -14.683 1.00 0.00 C ATOM 446 CG GLN A 28 -3.750 2.522 -14.261 1.00 0.00 C ATOM 447 CD GLN A 28 -3.305 3.162 -12.973 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.733 2.773 -11.888 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.420 4.132 -13.080 1.00 0.00 N ATOM 0 H GLN A 28 -2.627 2.001 -17.154 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.101 2.627 -14.732 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.368 0.723 -15.362 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.567 0.794 -13.805 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.779 3.275 -15.048 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.765 2.142 -14.145 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.092 4.424 -14.001 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.063 4.591 -12.242 1.00 0.00 H new ATOM 458 N THR A 29 -0.033 0.595 -16.720 1.00 0.00 N ATOM 459 CA THR A 29 1.015 -0.352 -17.042 1.00 0.00 C ATOM 460 C THR A 29 2.147 0.404 -17.732 1.00 0.00 C ATOM 461 O THR A 29 1.874 1.284 -18.548 1.00 0.00 O ATOM 462 CB THR A 29 0.479 -1.452 -17.985 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.741 -1.988 -17.457 1.00 0.00 O ATOM 464 CG2 THR A 29 1.488 -2.576 -18.164 1.00 0.00 C ATOM 0 H THR A 29 -0.331 1.162 -17.514 1.00 0.00 H new ATOM 0 HA THR A 29 1.372 -0.827 -16.128 1.00 0.00 H new ATOM 0 HB THR A 29 0.299 -0.998 -18.960 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.080 -2.684 -18.058 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.076 -3.331 -18.833 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.407 -2.175 -18.591 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.704 -3.028 -17.196 1.00 0.00 H new ATOM 472 N PRO A 30 3.425 0.103 -17.438 1.00 0.00 N ATOM 473 CA PRO A 30 3.842 -0.940 -16.481 1.00 0.00 C ATOM 474 C PRO A 30 3.501 -0.647 -15.011 1.00 0.00 C ATOM 475 O PRO A 30 3.120 -1.552 -14.268 1.00 0.00 O ATOM 476 CB PRO A 30 5.366 -0.998 -16.660 1.00 0.00 C ATOM 477 CG PRO A 30 5.752 0.306 -17.281 1.00 0.00 C ATOM 478 CD PRO A 30 4.574 0.752 -18.089 1.00 0.00 C ATOM 0 HA PRO A 30 3.314 -1.871 -16.688 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.867 -1.139 -15.702 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.654 -1.835 -17.297 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.000 1.042 -16.517 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.634 0.191 -17.911 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.475 1.837 -18.083 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.667 0.446 -19.131 1.00 0.00 H new ATOM 486 N HIS A 31 3.643 0.601 -14.587 1.00 0.00 N ATOM 487 CA HIS A 31 3.491 0.947 -13.171 1.00 0.00 C ATOM 488 C HIS A 31 2.056 1.339 -12.812 1.00 0.00 C ATOM 489 O HIS A 31 1.471 2.229 -13.429 1.00 0.00 O ATOM 490 CB HIS A 31 4.464 2.067 -12.783 1.00 0.00 C ATOM 491 CG HIS A 31 5.878 1.594 -12.622 1.00 0.00 C ATOM 492 ND1 HIS A 31 6.894 1.904 -13.502 1.00 0.00 N ATOM 493 CD2 HIS A 31 6.441 0.826 -11.660 1.00 0.00 C ATOM 494 CE1 HIS A 31 8.016 1.345 -13.084 1.00 0.00 C ATOM 495 NE2 HIS A 31 7.769 0.683 -11.970 1.00 0.00 N ATOM 0 H HIS A 31 3.862 1.390 -15.195 1.00 0.00 H new ATOM 0 HA HIS A 31 3.729 0.050 -12.599 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.433 2.846 -13.545 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.131 2.521 -11.849 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.795 2.474 -14.342 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.936 0.403 -10.804 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.976 1.418 -13.573 1.00 0.00 H new ATOM 504 N THR A 32 1.507 0.675 -11.797 1.00 0.00 N ATOM 505 CA THR A 32 0.171 0.973 -11.291 1.00 0.00 C ATOM 506 C THR A 32 0.184 2.194 -10.367 1.00 0.00 C ATOM 507 O THR A 32 0.202 2.081 -9.141 1.00 0.00 O ATOM 508 CB THR A 32 -0.395 -0.244 -10.544 1.00 0.00 C ATOM 509 OG1 THR A 32 0.683 -0.975 -9.941 1.00 0.00 O ATOM 510 CG2 THR A 32 -1.167 -1.152 -11.486 1.00 0.00 C ATOM 0 H THR A 32 1.976 -0.084 -11.303 1.00 0.00 H new ATOM 0 HA THR A 32 -0.467 1.202 -12.145 1.00 0.00 H new ATOM 0 HB THR A 32 -1.081 0.109 -9.774 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.324 -1.751 -9.462 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.557 -2.005 -10.931 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.995 -0.598 -11.928 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.504 -1.505 -12.276 1.00 0.00 H new ATOM 518 N HIS A 33 0.203 3.363 -10.982 1.00 0.00 N ATOM 519 CA HIS A 33 0.335 4.629 -10.256 1.00 0.00 C ATOM 520 C HIS A 33 -1.020 5.258 -9.953 1.00 0.00 C ATOM 521 O HIS A 33 -1.984 5.028 -10.666 1.00 0.00 O ATOM 522 CB HIS A 33 1.187 5.607 -11.063 1.00 0.00 C ATOM 523 CG HIS A 33 0.690 5.827 -12.460 1.00 0.00 C ATOM 524 ND1 HIS A 33 -0.028 6.933 -12.846 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.816 5.065 -13.566 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.325 6.838 -14.124 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.178 5.716 -14.585 1.00 0.00 N ATOM 0 H HIS A 33 0.128 3.469 -11.994 1.00 0.00 H new ATOM 0 HA HIS A 33 0.821 4.411 -9.305 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.217 6.564 -10.542 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.211 5.235 -11.105 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.327 4.116 -13.634 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.887 7.560 -14.697 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.105 5.384 -15.547 1.00 0.00 H new ATOM 536 N ASN A 34 -1.077 6.097 -8.927 1.00 0.00 N ATOM 537 CA ASN A 34 -2.313 6.810 -8.605 1.00 0.00 C ATOM 538 C ASN A 34 -2.275 8.240 -9.133 1.00 0.00 C ATOM 539 O ASN A 34 -2.985 9.111 -8.642 1.00 0.00 O ATOM 540 CB ASN A 34 -2.560 6.843 -7.100 1.00 0.00 C ATOM 541 CG ASN A 34 -2.657 5.460 -6.483 1.00 0.00 C ATOM 542 OD1 ASN A 34 -3.730 4.857 -6.445 1.00 0.00 O ATOM 543 ND2 ASN A 34 -1.540 4.957 -5.980 1.00 0.00 N ATOM 0 H ASN A 34 -0.293 6.301 -8.308 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.126 6.268 -9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.753 7.394 -6.617 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.482 7.389 -6.901 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.548 4.037 -5.540 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.672 5.490 -6.032 1.00 0.00 H new ATOM 550 N ARG A 36 -1.411 8.489 -10.104 1.00 0.00 N ATOM 551 CA ARG A 36 -1.365 9.793 -10.763 1.00 0.00 C ATOM 552 C ARG A 36 -1.791 9.657 -12.213 1.00 0.00 C ATOM 553 O ARG A 36 -0.951 9.516 -13.095 1.00 0.00 O ATOM 554 CB ARG A 36 0.035 10.431 -10.701 1.00 0.00 C ATOM 555 CG ARG A 36 0.411 11.035 -9.353 1.00 0.00 C ATOM 556 CD ARG A 36 0.714 9.965 -8.324 1.00 0.00 C ATOM 557 NE ARG A 36 0.886 10.517 -6.983 1.00 0.00 N ATOM 558 CZ ARG A 36 -0.042 10.479 -6.026 1.00 0.00 C ATOM 559 NH1 ARG A 36 -1.255 10.000 -6.278 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 0.246 10.943 -4.818 1.00 0.00 N ATOM 0 H ARG A 36 -0.734 7.812 -10.455 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.053 10.447 -10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.774 9.674 -10.961 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.096 11.210 -11.461 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.281 11.681 -9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.405 11.663 -8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.096 9.235 -8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.619 9.432 -8.614 1.00 0.00 H new ATOM 0 HE ARG A 36 1.777 10.962 -6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.484 9.657 -7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.957 9.975 -5.539 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.172 11.326 -4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.458 10.918 -4.081 1.00 0.00 H new ATOM 574 N THR A 37 -3.088 9.680 -12.443 1.00 0.00 N ATOM 575 CA THR A 37 -3.635 9.545 -13.779 1.00 0.00 C ATOM 576 C THR A 37 -4.405 10.808 -14.134 1.00 0.00 C ATOM 577 O THR A 37 -4.764 11.567 -13.236 1.00 0.00 O ATOM 578 CB THR A 37 -4.559 8.308 -13.872 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.573 8.387 -12.865 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.758 7.027 -13.684 1.00 0.00 C ATOM 0 H THR A 37 -3.791 9.792 -11.712 1.00 0.00 H new ATOM 0 HA THR A 37 -2.817 9.406 -14.486 1.00 0.00 H new ATOM 0 HB THR A 37 -5.021 8.293 -14.859 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.158 7.603 -12.927 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.425 6.168 -13.753 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.995 6.958 -14.460 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.279 7.038 -12.705 1.00 0.00 H new ATOM 588 N PRO A 38 -4.628 11.094 -15.422 1.00 0.00 N ATOM 589 CA PRO A 38 -5.392 12.272 -15.837 1.00 0.00 C ATOM 590 C PRO A 38 -6.769 12.336 -15.176 1.00 0.00 C ATOM 591 O PRO A 38 -7.325 13.414 -14.985 1.00 0.00 O ATOM 592 CB PRO A 38 -5.522 12.132 -17.358 1.00 0.00 C ATOM 593 CG PRO A 38 -4.945 10.802 -17.718 1.00 0.00 C ATOM 594 CD PRO A 38 -4.109 10.340 -16.564 1.00 0.00 C ATOM 0 HA PRO A 38 -4.892 13.193 -15.539 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.566 12.197 -17.665 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.990 12.935 -17.867 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.739 10.085 -17.926 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.340 10.880 -18.621 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.204 9.265 -16.408 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.052 10.546 -16.730 1.00 0.00 H new ATOM 602 N GLU A 39 -7.297 11.180 -14.799 1.00 0.00 N ATOM 603 CA GLU A 39 -8.582 11.110 -14.120 1.00 0.00 C ATOM 604 C GLU A 39 -8.426 11.368 -12.620 1.00 0.00 C ATOM 605 O GLU A 39 -9.405 11.609 -11.916 1.00 0.00 O ATOM 606 CB GLU A 39 -9.231 9.748 -14.368 1.00 0.00 C ATOM 607 CG GLU A 39 -9.585 9.514 -15.826 1.00 0.00 C ATOM 608 CD GLU A 39 -10.276 8.189 -16.058 1.00 0.00 C ATOM 609 OE1 GLU A 39 -11.514 8.125 -15.912 1.00 0.00 O ATOM 610 OE2 GLU A 39 -9.585 7.205 -16.393 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.853 10.275 -14.953 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.229 11.888 -14.526 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.553 8.963 -14.034 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.134 9.667 -13.763 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.231 10.321 -16.172 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.676 9.554 -16.426 1.00 0.00 H new ATOM 617 N ASN A 40 -7.189 11.337 -12.141 1.00 0.00 N ATOM 618 CA ASN A 40 -6.900 11.595 -10.734 1.00 0.00 C ATOM 619 C ASN A 40 -6.422 13.022 -10.537 1.00 0.00 C ATOM 620 O ASN A 40 -6.782 13.686 -9.563 1.00 0.00 O ATOM 621 CB ASN A 40 -5.841 10.614 -10.205 1.00 0.00 C ATOM 622 CG ASN A 40 -6.427 9.311 -9.678 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.478 8.855 -10.123 1.00 0.00 O ATOM 624 ND2 ASN A 40 -5.729 8.690 -8.733 1.00 0.00 N ATOM 0 H ASN A 40 -6.366 11.135 -12.708 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.823 11.451 -10.172 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.135 10.388 -11.004 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.276 11.097 -9.408 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.062 7.804 -8.352 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.861 9.099 -8.388 1.00 0.00 H new ATOM 631 N PHE A 41 -5.628 13.498 -11.476 1.00 0.00 N ATOM 632 CA PHE A 41 -5.072 14.841 -11.408 1.00 0.00 C ATOM 633 C PHE A 41 -5.281 15.558 -12.735 1.00 0.00 C ATOM 634 O PHE A 41 -4.322 15.841 -13.454 1.00 0.00 O ATOM 635 CB PHE A 41 -3.579 14.791 -11.071 1.00 0.00 C ATOM 636 CG PHE A 41 -3.275 14.234 -9.709 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.072 12.876 -9.531 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.191 15.070 -8.607 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.792 12.363 -8.279 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.912 14.562 -7.353 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.712 13.207 -7.189 1.00 0.00 C ATOM 0 H PHE A 41 -5.350 12.971 -12.304 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.587 15.389 -10.619 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.068 14.187 -11.821 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.168 15.798 -11.140 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.133 12.211 -10.380 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.346 16.132 -8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.636 11.302 -8.153 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.851 15.225 -6.502 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.493 12.807 -6.210 1.00 0.00 H new ATOM 651 N PRO A 42 -6.542 15.864 -13.079 1.00 0.00 N ATOM 652 CA PRO A 42 -6.879 16.497 -14.358 1.00 0.00 C ATOM 653 C PRO A 42 -6.227 17.869 -14.524 1.00 0.00 C ATOM 654 O PRO A 42 -5.819 18.250 -15.624 1.00 0.00 O ATOM 655 CB PRO A 42 -8.406 16.639 -14.310 1.00 0.00 C ATOM 656 CG PRO A 42 -8.861 15.695 -13.252 1.00 0.00 C ATOM 657 CD PRO A 42 -7.740 15.614 -12.256 1.00 0.00 C ATOM 0 HA PRO A 42 -6.520 15.905 -15.200 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.698 17.662 -14.074 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.853 16.394 -15.273 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.777 16.051 -12.780 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.080 14.714 -13.673 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.848 16.357 -11.466 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.700 14.638 -11.772 1.00 0.00 H new ATOM 665 N SER A 43 -6.104 18.592 -13.417 1.00 0.00 N ATOM 666 CA SER A 43 -5.602 19.963 -13.425 1.00 0.00 C ATOM 667 C SER A 43 -4.075 20.013 -13.480 1.00 0.00 C ATOM 668 O SER A 43 -3.479 21.089 -13.431 1.00 0.00 O ATOM 669 CB SER A 43 -6.104 20.680 -12.176 1.00 0.00 C ATOM 670 OG SER A 43 -5.938 19.854 -11.035 1.00 0.00 O ATOM 0 H SER A 43 -6.349 18.246 -12.489 1.00 0.00 H new ATOM 0 HA SER A 43 -5.973 20.459 -14.322 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.558 21.614 -12.040 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.156 20.940 -12.295 1.00 0.00 H new ATOM 0 HG SER A 43 -6.262 20.326 -10.240 1.00 0.00 H new ATOM 676 N LYS A 44 -3.446 18.853 -13.592 1.00 0.00 N ATOM 677 CA LYS A 44 -1.994 18.782 -13.655 1.00 0.00 C ATOM 678 C LYS A 44 -1.567 18.438 -15.071 1.00 0.00 C ATOM 679 O LYS A 44 -0.382 18.295 -15.371 1.00 0.00 O ATOM 680 CB LYS A 44 -1.447 17.750 -12.667 1.00 0.00 C ATOM 681 CG LYS A 44 -1.707 18.093 -11.206 1.00 0.00 C ATOM 682 CD LYS A 44 -1.056 19.411 -10.807 1.00 0.00 C ATOM 683 CE LYS A 44 -1.169 19.655 -9.309 1.00 0.00 C ATOM 684 NZ LYS A 44 -0.620 20.982 -8.907 1.00 0.00 N1+ ATOM 0 H LYS A 44 -3.917 17.950 -13.641 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.585 19.753 -13.378 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.893 16.780 -12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.373 17.649 -12.820 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.782 18.152 -11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.325 17.293 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.005 19.402 -11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.529 20.231 -11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.216 19.592 -9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.638 18.868 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.968 21.229 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.419 20.939 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.928 21.706 -9.587 1.00 0.00 H new ATOM 698 N ASN A 45 -2.585 18.304 -15.919 1.00 0.00 N ATOM 699 CA ASN A 45 -2.429 18.053 -17.348 1.00 0.00 C ATOM 700 C ASN A 45 -1.659 16.771 -17.611 1.00 0.00 C ATOM 701 O ASN A 45 -0.620 16.783 -18.259 1.00 0.00 O ATOM 702 CB ASN A 45 -1.750 19.231 -18.059 1.00 0.00 C ATOM 703 CG ASN A 45 -2.480 20.548 -17.859 1.00 0.00 C ATOM 704 OD1 ASN A 45 -1.907 21.620 -18.046 1.00 0.00 O ATOM 705 ND2 ASN A 45 -3.736 20.479 -17.433 1.00 0.00 N ATOM 0 H ASN A 45 -3.560 18.368 -15.625 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.433 17.939 -17.756 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.728 19.329 -17.692 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.686 19.016 -19.126 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.260 21.335 -17.249 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.177 19.570 -17.290 1.00 0.00 H new ATOM 712 N LEU A 46 -2.191 15.658 -17.137 1.00 0.00 N ATOM 713 CA LEU A 46 -1.554 14.360 -17.340 1.00 0.00 C ATOM 714 C LEU A 46 -1.811 13.856 -18.755 1.00 0.00 C ATOM 715 O LEU A 46 -2.455 12.831 -18.974 1.00 0.00 O ATOM 716 CB LEU A 46 -2.050 13.364 -16.287 1.00 0.00 C ATOM 717 CG LEU A 46 -1.141 13.191 -15.054 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.235 14.396 -14.852 1.00 0.00 C ATOM 719 CD2 LEU A 46 -1.969 12.957 -13.802 1.00 0.00 C ATOM 0 H LEU A 46 -3.063 15.623 -16.608 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.476 14.467 -17.221 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.036 13.682 -15.948 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.175 12.392 -16.763 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.514 12.318 -15.237 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.391 14.238 -13.974 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.398 14.527 -15.730 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.844 15.289 -14.708 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.307 12.838 -12.945 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.627 13.810 -13.636 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.568 12.055 -13.926 1.00 0.00 H new ATOM 731 N ASP A 47 -1.280 14.612 -19.701 1.00 0.00 N ATOM 732 CA ASP A 47 -1.412 14.326 -21.118 1.00 0.00 C ATOM 733 C ASP A 47 -0.334 13.363 -21.573 1.00 0.00 C ATOM 734 O ASP A 47 0.852 13.577 -21.302 1.00 0.00 O ATOM 735 CB ASP A 47 -1.302 15.618 -21.930 1.00 0.00 C ATOM 736 CG ASP A 47 -2.507 16.518 -21.771 1.00 0.00 C ATOM 737 OD1 ASP A 47 -3.484 16.348 -22.528 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -2.477 17.413 -20.900 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.738 15.453 -19.503 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.390 13.872 -21.280 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.407 16.159 -21.622 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.177 15.369 -22.984 1.00 0.00 H new ATOM 743 N GLU A 48 -0.758 12.317 -22.272 1.00 0.00 N ATOM 744 CA GLU A 48 0.142 11.302 -22.806 1.00 0.00 C ATOM 745 C GLU A 48 1.073 10.756 -21.731 1.00 0.00 C ATOM 746 O GLU A 48 0.670 9.965 -20.878 1.00 0.00 O ATOM 747 CB GLU A 48 0.977 11.850 -23.973 1.00 0.00 C ATOM 748 CG GLU A 48 0.236 11.948 -25.306 1.00 0.00 C ATOM 749 CD GLU A 48 -1.036 12.769 -25.249 1.00 0.00 C ATOM 750 OE1 GLU A 48 -2.074 12.233 -24.807 1.00 0.00 O ATOM 751 OE2 GLU A 48 -1.008 13.943 -25.674 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.741 12.148 -22.485 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.487 10.490 -23.171 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.343 12.841 -23.704 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.851 11.212 -24.106 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.904 12.384 -26.049 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.009 10.942 -25.648 1.00 0.00 H new ATOM 758 N ASN A 49 2.315 11.201 -21.781 1.00 0.00 N ATOM 759 CA ASN A 49 3.329 10.769 -20.840 1.00 0.00 C ATOM 760 C ASN A 49 4.349 11.872 -20.631 1.00 0.00 C ATOM 761 O ASN A 49 5.480 11.621 -20.225 1.00 0.00 O ATOM 762 CB ASN A 49 4.002 9.495 -21.342 1.00 0.00 C ATOM 763 CG ASN A 49 4.586 9.632 -22.738 1.00 0.00 C ATOM 764 OD1 ASN A 49 3.887 9.456 -23.734 1.00 0.00 O ATOM 765 ND2 ASN A 49 5.872 9.922 -22.820 1.00 0.00 N ATOM 0 H ASN A 49 2.648 11.871 -22.474 1.00 0.00 H new ATOM 0 HA ASN A 49 2.857 10.552 -19.882 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.796 9.215 -20.650 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.275 8.683 -21.338 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.318 10.007 -23.733 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.419 10.061 -21.970 1.00 0.00 H new ATOM 772 N TYR A 50 3.931 13.094 -20.939 1.00 0.00 N ATOM 773 CA TYR A 50 4.764 14.279 -20.728 1.00 0.00 C ATOM 774 C TYR A 50 5.193 14.374 -19.267 1.00 0.00 C ATOM 775 O TYR A 50 4.430 14.019 -18.373 1.00 0.00 O ATOM 776 CB TYR A 50 3.997 15.552 -21.100 1.00 0.00 C ATOM 777 CG TYR A 50 3.338 15.528 -22.463 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.721 14.616 -23.439 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.328 16.429 -22.771 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.113 14.603 -24.681 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.716 16.422 -24.008 1.00 0.00 C ATOM 782 CZ TYR A 50 2.110 15.509 -24.958 1.00 0.00 C ATOM 783 OH TYR A 50 1.503 15.508 -26.192 1.00 0.00 O ATOM 0 H TYR A 50 3.014 13.294 -21.339 1.00 0.00 H new ATOM 0 HA TYR A 50 5.644 14.186 -21.365 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.230 15.729 -20.346 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.685 16.397 -21.061 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.506 13.906 -23.224 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.015 17.149 -22.029 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.421 13.888 -25.429 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.931 17.130 -24.229 1.00 0.00 H new ATOM 0 HH TYR A 50 0.658 15.014 -26.141 1.00 0.00 H new ATOM 793 N CYS A 51 6.408 14.851 -19.032 1.00 0.00 N ATOM 794 CA CYS A 51 6.919 15.025 -17.674 1.00 0.00 C ATOM 795 C CYS A 51 6.108 16.061 -16.903 1.00 0.00 C ATOM 796 O CYS A 51 6.424 17.250 -16.914 1.00 0.00 O ATOM 797 CB CYS A 51 8.375 15.462 -17.704 1.00 0.00 C ATOM 798 SG CYS A 51 9.527 14.226 -18.367 1.00 0.00 S ATOM 0 H CYS A 51 7.062 15.126 -19.765 1.00 0.00 H new ATOM 0 HA CYS A 51 6.833 14.062 -17.170 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.455 16.370 -18.302 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.684 15.719 -16.691 1.00 0.00 H new ATOM 803 N ARG A 52 5.057 15.602 -16.253 1.00 0.00 N ATOM 804 CA ARG A 52 4.199 16.468 -15.468 1.00 0.00 C ATOM 805 C ARG A 52 4.591 16.435 -14.002 1.00 0.00 C ATOM 806 O ARG A 52 5.559 15.782 -13.616 1.00 0.00 O ATOM 807 CB ARG A 52 2.744 16.041 -15.625 1.00 0.00 C ATOM 808 CG ARG A 52 2.217 16.200 -17.040 1.00 0.00 C ATOM 809 CD ARG A 52 2.391 17.623 -17.546 1.00 0.00 C ATOM 810 NE ARG A 52 1.766 17.819 -18.851 1.00 0.00 N ATOM 811 CZ ARG A 52 1.510 19.006 -19.389 1.00 0.00 C ATOM 812 NH1 ARG A 52 1.824 20.117 -18.738 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.913 19.078 -20.572 1.00 0.00 N ATOM 0 H ARG A 52 4.774 14.622 -16.254 1.00 0.00 H new ATOM 0 HA ARG A 52 4.318 17.488 -15.833 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.645 14.998 -15.324 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.126 16.629 -14.947 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.740 15.511 -17.703 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.161 15.930 -17.068 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.957 18.319 -16.828 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.454 17.856 -17.614 1.00 0.00 H new ATOM 0 HE ARG A 52 1.509 16.989 -19.385 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.264 20.063 -17.820 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.625 21.026 -19.155 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.652 18.224 -21.065 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.715 19.988 -20.989 1.00 0.00 H new ATOM 827 N ASN A 53 3.835 17.146 -13.190 1.00 0.00 N ATOM 828 CA ASN A 53 4.032 17.118 -11.753 1.00 0.00 C ATOM 829 C ASN A 53 2.679 17.062 -11.038 1.00 0.00 C ATOM 830 O ASN A 53 2.224 18.049 -10.458 1.00 0.00 O ATOM 831 CB ASN A 53 4.823 18.345 -11.303 1.00 0.00 C ATOM 832 CG ASN A 53 5.241 18.273 -9.847 1.00 0.00 C ATOM 833 OD1 ASN A 53 4.748 17.446 -9.080 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.145 19.153 -9.456 1.00 0.00 N ATOM 0 H ASN A 53 3.076 17.752 -13.501 1.00 0.00 H new ATOM 0 HA ASN A 53 4.601 16.226 -11.493 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.711 18.448 -11.927 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.219 19.239 -11.459 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.460 19.164 -8.486 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.528 19.822 -10.124 1.00 0.00 H new ATOM 841 N PRO A 54 1.999 15.905 -11.102 1.00 0.00 N ATOM 842 CA PRO A 54 0.722 15.705 -10.415 1.00 0.00 C ATOM 843 C PRO A 54 0.883 15.497 -8.908 1.00 0.00 C ATOM 844 O PRO A 54 0.156 16.089 -8.111 1.00 0.00 O ATOM 845 CB PRO A 54 0.159 14.447 -11.078 1.00 0.00 C ATOM 846 CG PRO A 54 1.348 13.699 -11.582 1.00 0.00 C ATOM 847 CD PRO A 54 2.407 14.723 -11.887 1.00 0.00 C ATOM 0 HA PRO A 54 0.075 16.578 -10.502 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.409 13.848 -10.366 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.519 14.702 -11.892 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.702 12.987 -10.836 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.095 13.127 -12.474 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.397 14.372 -11.595 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.450 14.947 -12.953 1.00 0.00 H new ATOM 855 N ASP A 55 1.845 14.660 -8.533 1.00 0.00 N ATOM 856 CA ASP A 55 2.082 14.311 -7.130 1.00 0.00 C ATOM 857 C ASP A 55 2.466 15.533 -6.300 1.00 0.00 C ATOM 858 O ASP A 55 2.104 15.637 -5.131 1.00 0.00 O ATOM 859 CB ASP A 55 3.188 13.261 -7.035 1.00 0.00 C ATOM 860 CG ASP A 55 3.346 12.681 -5.643 1.00 0.00 C ATOM 861 OD1 ASP A 55 3.981 13.325 -4.787 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 2.858 11.556 -5.413 1.00 0.00 O1- ATOM 0 H ASP A 55 2.482 14.204 -9.187 1.00 0.00 H new ATOM 0 HA ASP A 55 1.152 13.909 -6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.974 12.454 -7.735 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.132 13.709 -7.344 1.00 0.00 H new ATOM 867 N GLY A 56 3.193 16.455 -6.918 1.00 0.00 N ATOM 868 CA GLY A 56 3.651 17.635 -6.216 1.00 0.00 C ATOM 869 C GLY A 56 5.086 17.502 -5.756 1.00 0.00 C ATOM 870 O GLY A 56 5.368 17.474 -4.561 1.00 0.00 O ATOM 0 H GLY A 56 3.474 16.405 -7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.559 18.503 -6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.009 17.815 -5.353 1.00 0.00 H new ATOM 874 N LYS A 57 5.989 17.405 -6.716 1.00 0.00 N ATOM 875 CA LYS A 57 7.412 17.349 -6.434 1.00 0.00 C ATOM 876 C LYS A 57 8.038 18.711 -6.680 1.00 0.00 C ATOM 877 O LYS A 57 7.347 19.666 -7.023 1.00 0.00 O ATOM 878 CB LYS A 57 8.102 16.302 -7.313 1.00 0.00 C ATOM 879 CG LYS A 57 7.557 14.895 -7.142 1.00 0.00 C ATOM 880 CD LYS A 57 7.656 14.428 -5.702 1.00 0.00 C ATOM 881 CE LYS A 57 7.054 13.047 -5.524 1.00 0.00 C ATOM 882 NZ LYS A 57 7.008 12.646 -4.097 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.758 17.363 -7.709 1.00 0.00 H new ATOM 0 HA LYS A 57 7.544 17.067 -5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.000 16.596 -8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.168 16.298 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.516 14.866 -7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.109 14.210 -7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.702 14.413 -5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.143 15.137 -5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.046 13.034 -5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.639 12.320 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.590 11.697 -4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.973 12.634 -3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.429 13.326 -3.564 1.00 0.00 H new ATOM 896 N ARG A 59 9.343 18.784 -6.515 1.00 0.00 N ATOM 897 CA ARG A 59 10.097 20.009 -6.761 1.00 0.00 C ATOM 898 C ARG A 59 10.371 20.194 -8.249 1.00 0.00 C ATOM 899 O ARG A 59 10.816 21.258 -8.678 1.00 0.00 O ATOM 900 CB ARG A 59 11.420 19.940 -6.008 1.00 0.00 C ATOM 901 CG ARG A 59 12.240 18.721 -6.389 1.00 0.00 C ATOM 902 CD ARG A 59 13.294 18.406 -5.344 1.00 0.00 C ATOM 903 NE ARG A 59 13.724 17.012 -5.411 1.00 0.00 N ATOM 904 CZ ARG A 59 14.983 16.603 -5.258 1.00 0.00 C ATOM 905 NH1 ARG A 59 15.965 17.484 -5.111 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 15.260 15.305 -5.276 1.00 0.00 N ATOM 0 H ARG A 59 9.916 17.999 -6.207 1.00 0.00 H new ATOM 0 HA ARG A 59 9.507 20.857 -6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.998 20.841 -6.211 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.224 19.922 -4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.580 17.862 -6.511 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.722 18.892 -7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.155 19.059 -5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.896 18.616 -4.351 1.00 0.00 H new ATOM 0 HE ARG A 59 13.012 16.303 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.759 18.483 -5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.926 17.162 -4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.511 14.625 -5.407 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.222 14.987 -5.159 1.00 0.00 H new ATOM 920 N ALA A 60 10.116 19.151 -9.027 1.00 0.00 N ATOM 921 CA ALA A 60 10.421 19.166 -10.451 1.00 0.00 C ATOM 922 C ALA A 60 9.523 18.195 -11.212 1.00 0.00 C ATOM 923 O ALA A 60 8.914 17.308 -10.605 1.00 0.00 O ATOM 924 CB ALA A 60 11.888 18.809 -10.666 1.00 0.00 C ATOM 0 H ALA A 60 9.698 18.282 -8.695 1.00 0.00 H new ATOM 0 HA ALA A 60 10.234 20.169 -10.836 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.113 18.821 -11.732 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.518 19.536 -10.154 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.083 17.814 -10.265 1.00 0.00 H new ATOM 930 N PRO A 61 9.423 18.366 -12.548 1.00 0.00 N ATOM 931 CA PRO A 61 8.686 17.447 -13.422 1.00 0.00 C ATOM 932 C PRO A 61 9.185 16.026 -13.272 1.00 0.00 C ATOM 933 O PRO A 61 10.395 15.789 -13.208 1.00 0.00 O ATOM 934 CB PRO A 61 9.005 17.957 -14.831 1.00 0.00 C ATOM 935 CG PRO A 61 9.330 19.387 -14.640 1.00 0.00 C ATOM 936 CD PRO A 61 10.021 19.474 -13.310 1.00 0.00 C ATOM 0 HA PRO A 61 7.621 17.426 -13.192 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.842 17.414 -15.270 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.155 17.829 -15.502 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.974 19.752 -15.440 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.428 19.998 -14.653 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.100 19.359 -13.409 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.846 20.435 -12.827 1.00 0.00 H new ATOM 944 N TRP A 62 8.266 15.088 -13.225 1.00 0.00 N ATOM 945 CA TRP A 62 8.628 13.702 -13.040 1.00 0.00 C ATOM 946 C TRP A 62 7.668 12.802 -13.793 1.00 0.00 C ATOM 947 O TRP A 62 6.604 13.242 -14.233 1.00 0.00 O ATOM 948 CB TRP A 62 8.636 13.351 -11.550 1.00 0.00 C ATOM 949 CG TRP A 62 7.279 13.357 -10.908 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.626 14.421 -10.355 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.415 12.231 -10.744 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.410 14.017 -9.847 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.260 12.674 -10.077 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.515 10.889 -11.102 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.211 11.808 -9.756 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.480 10.040 -10.785 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.342 10.501 -10.117 1.00 0.00 C ATOM 0 H TRP A 62 7.264 15.260 -13.312 1.00 0.00 H new ATOM 0 HA TRP A 62 9.631 13.546 -13.438 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.081 12.364 -11.423 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.277 14.059 -11.025 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.007 15.431 -10.321 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.733 14.618 -9.377 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.389 10.521 -11.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.330 12.162 -9.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.548 8.997 -11.058 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.549 9.806 -9.882 1.00 0.00 H new ATOM 968 N CYS A 63 8.035 11.545 -13.947 1.00 0.00 N ATOM 969 CA CYS A 63 7.167 10.596 -14.609 1.00 0.00 C ATOM 970 C CYS A 63 7.489 9.178 -14.162 1.00 0.00 C ATOM 971 O CYS A 63 8.422 8.951 -13.393 1.00 0.00 O ATOM 972 CB CYS A 63 7.309 10.719 -16.128 1.00 0.00 C ATOM 973 SG CYS A 63 8.838 9.989 -16.792 1.00 0.00 S ATOM 0 H CYS A 63 8.923 11.160 -13.624 1.00 0.00 H new ATOM 0 HA CYS A 63 6.136 10.819 -14.334 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.454 10.238 -16.602 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.274 11.774 -16.401 1.00 0.00 H new ATOM 978 N HIS A 64 6.696 8.229 -14.632 1.00 0.00 N ATOM 979 CA HIS A 64 6.901 6.829 -14.306 1.00 0.00 C ATOM 980 C HIS A 64 7.673 6.173 -15.429 1.00 0.00 C ATOM 981 O HIS A 64 7.270 6.259 -16.578 1.00 0.00 O ATOM 982 CB HIS A 64 5.554 6.127 -14.097 1.00 0.00 C ATOM 983 CG HIS A 64 4.771 6.705 -12.965 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.779 7.647 -13.139 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.852 6.486 -11.633 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.287 7.984 -11.961 1.00 0.00 C ATOM 987 NE2 HIS A 64 3.919 7.293 -11.034 1.00 0.00 N ATOM 0 H HIS A 64 5.900 8.406 -15.244 1.00 0.00 H new ATOM 0 HA HIS A 64 7.469 6.748 -13.379 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.967 6.197 -15.013 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.727 5.067 -13.910 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.525 5.804 -11.135 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.501 8.703 -11.787 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.742 7.349 -10.031 1.00 0.00 H new ATOM 996 N THR A 65 8.783 5.542 -15.107 1.00 0.00 N ATOM 997 CA THR A 65 9.612 4.931 -16.129 1.00 0.00 C ATOM 998 C THR A 65 8.961 3.647 -16.635 1.00 0.00 C ATOM 999 O THR A 65 8.267 2.952 -15.885 1.00 0.00 O ATOM 1000 CB THR A 65 11.024 4.620 -15.590 1.00 0.00 C ATOM 1001 OG1 THR A 65 10.983 3.475 -14.737 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.575 5.806 -14.813 1.00 0.00 C ATOM 0 H THR A 65 9.131 5.438 -14.154 1.00 0.00 H new ATOM 0 HA THR A 65 9.706 5.640 -16.952 1.00 0.00 H new ATOM 0 HB THR A 65 11.676 4.419 -16.440 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.690 3.745 -13.841 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.571 5.566 -14.441 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.631 6.676 -15.468 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.918 6.027 -13.972 1.00 0.00 H new ATOM 1010 N THR A 66 9.148 3.360 -17.917 1.00 0.00 N ATOM 1011 CA THR A 66 8.697 2.107 -18.497 1.00 0.00 C ATOM 1012 C THR A 66 9.624 0.949 -18.124 1.00 0.00 C ATOM 1013 O THR A 66 9.555 -0.131 -18.710 1.00 0.00 O ATOM 1014 CB THR A 66 8.608 2.220 -20.025 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.778 2.881 -20.526 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.364 2.993 -20.431 1.00 0.00 C ATOM 0 H THR A 66 9.612 3.984 -18.577 1.00 0.00 H new ATOM 0 HA THR A 66 7.707 1.900 -18.091 1.00 0.00 H new ATOM 0 HB THR A 66 8.546 1.218 -20.449 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.153 2.363 -21.269 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.318 3.063 -21.518 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.478 2.476 -20.063 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.403 3.995 -20.004 1.00 0.00 H new ATOM 1024 N ASN A 67 10.486 1.185 -17.143 1.00 0.00 N ATOM 1025 CA ASN A 67 11.415 0.170 -16.668 1.00 0.00 C ATOM 1026 C ASN A 67 10.995 -0.308 -15.292 1.00 0.00 C ATOM 1027 O ASN A 67 10.467 0.463 -14.500 1.00 0.00 O ATOM 1028 CB ASN A 67 12.845 0.723 -16.593 1.00 0.00 C ATOM 1029 CG ASN A 67 13.429 1.034 -17.954 1.00 0.00 C ATOM 1030 OD1 ASN A 67 14.043 0.175 -18.584 1.00 0.00 O ATOM 1031 ND2 ASN A 67 13.260 2.269 -18.410 1.00 0.00 N ATOM 0 H ASN A 67 10.560 2.079 -16.658 1.00 0.00 H new ATOM 0 HA ASN A 67 11.397 -0.661 -17.373 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.847 1.629 -15.987 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.483 -0.001 -16.086 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.646 2.536 -19.315 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.744 2.951 -17.855 1.00 0.00 H new ATOM 1038 N SER A 68 11.230 -1.577 -15.003 1.00 0.00 N ATOM 1039 CA SER A 68 10.941 -2.112 -13.682 1.00 0.00 C ATOM 1040 C SER A 68 12.199 -2.023 -12.819 1.00 0.00 C ATOM 1041 O SER A 68 12.237 -2.492 -11.679 1.00 0.00 O ATOM 1042 CB SER A 68 10.447 -3.559 -13.787 1.00 0.00 C ATOM 1043 OG SER A 68 9.885 -4.005 -12.563 1.00 0.00 O ATOM 0 H SER A 68 11.618 -2.253 -15.661 1.00 0.00 H new ATOM 0 HA SER A 68 10.149 -1.526 -13.216 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.702 -3.634 -14.580 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.276 -4.209 -14.066 1.00 0.00 H new ATOM 0 HG SER A 68 10.442 -3.700 -11.817 1.00 0.00 H new ATOM 1049 N GLN A 69 13.230 -1.406 -13.384 1.00 0.00 N ATOM 1050 CA GLN A 69 14.491 -1.198 -12.688 1.00 0.00 C ATOM 1051 C GLN A 69 14.360 -0.037 -11.711 1.00 0.00 C ATOM 1052 O GLN A 69 15.021 0.006 -10.676 1.00 0.00 O ATOM 1053 CB GLN A 69 15.602 -0.893 -13.697 1.00 0.00 C ATOM 1054 CG GLN A 69 15.665 -1.874 -14.855 1.00 0.00 C ATOM 1055 CD GLN A 69 16.797 -1.567 -15.813 1.00 0.00 C ATOM 1056 OE1 GLN A 69 17.923 -2.030 -15.633 1.00 0.00 O ATOM 1057 NE2 GLN A 69 16.507 -0.792 -16.844 1.00 0.00 N ATOM 0 H GLN A 69 13.214 -1.037 -14.335 1.00 0.00 H new ATOM 0 HA GLN A 69 14.743 -2.105 -12.139 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.455 0.112 -14.092 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.561 -0.895 -13.179 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.787 -2.884 -14.465 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.719 -1.854 -15.396 1.00 0.00 H new ATOM 0 HE21 GLN A 69 15.561 -0.428 -16.958 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.229 -0.558 -17.525 1.00 0.00 H new ATOM 1066 N VAL A 70 13.500 0.906 -12.064 1.00 0.00 N ATOM 1067 CA VAL A 70 13.282 2.102 -11.281 1.00 0.00 C ATOM 1068 C VAL A 70 11.804 2.470 -11.319 1.00 0.00 C ATOM 1069 O VAL A 70 11.103 2.130 -12.271 1.00 0.00 O ATOM 1070 CB VAL A 70 14.146 3.258 -11.835 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.869 3.481 -13.308 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.939 4.544 -11.052 1.00 0.00 C ATOM 0 H VAL A 70 12.932 0.858 -12.910 1.00 0.00 H new ATOM 0 HA VAL A 70 13.573 1.921 -10.246 1.00 0.00 H new ATOM 0 HB VAL A 70 15.190 2.966 -11.718 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.489 4.299 -13.675 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.101 2.572 -13.864 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.817 3.732 -13.447 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.564 5.331 -11.473 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.892 4.841 -11.111 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.212 4.383 -10.009 1.00 0.00 H new ATOM 1082 N ARG A 71 11.322 3.127 -10.280 1.00 0.00 N ATOM 1083 CA ARG A 71 9.927 3.517 -10.218 1.00 0.00 C ATOM 1084 C ARG A 71 9.707 4.813 -11.002 1.00 0.00 C ATOM 1085 O ARG A 71 9.608 4.795 -12.233 1.00 0.00 O ATOM 1086 CB ARG A 71 9.489 3.658 -8.754 1.00 0.00 C ATOM 1087 CG ARG A 71 8.009 3.934 -8.556 1.00 0.00 C ATOM 1088 CD ARG A 71 7.606 3.736 -7.103 1.00 0.00 C ATOM 1089 NE ARG A 71 8.476 4.454 -6.169 1.00 0.00 N ATOM 1090 CZ ARG A 71 8.859 3.958 -4.988 1.00 0.00 C ATOM 1091 NH1 ARG A 71 8.524 2.717 -4.646 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 9.595 4.691 -4.164 1.00 0.00 N ATOM 0 H ARG A 71 11.876 3.401 -9.469 1.00 0.00 H new ATOM 0 HA ARG A 71 9.312 2.744 -10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.748 2.742 -8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.059 4.465 -8.295 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.782 4.955 -8.864 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.424 3.271 -9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.578 4.073 -6.967 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.627 2.672 -6.867 1.00 0.00 H new ATOM 0 HE ARG A 71 8.807 5.382 -6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.974 2.143 -5.285 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.817 2.340 -3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.871 5.636 -4.430 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.886 4.310 -3.264 1.00 0.00 H new ATOM 1106 N TRP A 72 9.609 5.927 -10.298 1.00 0.00 N ATOM 1107 CA TRP A 72 9.470 7.221 -10.942 1.00 0.00 C ATOM 1108 C TRP A 72 10.833 7.896 -11.080 1.00 0.00 C ATOM 1109 O TRP A 72 11.777 7.541 -10.373 1.00 0.00 O ATOM 1110 CB TRP A 72 8.486 8.104 -10.172 1.00 0.00 C ATOM 1111 CG TRP A 72 8.959 8.506 -8.813 1.00 0.00 C ATOM 1112 CD1 TRP A 72 8.993 7.735 -7.692 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.451 9.791 -8.434 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.481 8.461 -6.638 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.771 9.729 -7.068 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.655 10.986 -9.123 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.284 10.818 -6.374 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 10.163 12.070 -8.434 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.473 11.980 -7.072 1.00 0.00 C ATOM 0 H TRP A 72 9.623 5.961 -9.279 1.00 0.00 H new ATOM 0 HA TRP A 72 9.067 7.071 -11.943 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.288 9.003 -10.756 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.539 7.573 -10.073 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.681 6.702 -7.641 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.608 8.114 -5.687 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.420 11.062 -10.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.525 10.750 -5.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.324 13.002 -8.955 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.869 12.845 -6.561 1.00 0.00 H new ATOM 1130 N GLU A 73 10.926 8.867 -11.976 1.00 0.00 N ATOM 1131 CA GLU A 73 12.163 9.603 -12.197 1.00 0.00 C ATOM 1132 C GLU A 73 11.855 11.038 -12.595 1.00 0.00 C ATOM 1133 O GLU A 73 10.815 11.316 -13.195 1.00 0.00 O ATOM 1134 CB GLU A 73 13.011 8.929 -13.285 1.00 0.00 C ATOM 1135 CG GLU A 73 13.832 7.748 -12.787 1.00 0.00 C ATOM 1136 CD GLU A 73 14.958 8.164 -11.859 1.00 0.00 C ATOM 1137 OE1 GLU A 73 14.682 8.560 -10.709 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 16.130 8.112 -12.284 1.00 0.00 O1- ATOM 0 H GLU A 73 10.151 9.166 -12.568 1.00 0.00 H new ATOM 0 HA GLU A 73 12.731 9.604 -11.267 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.354 8.590 -14.085 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.684 9.669 -13.718 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.177 7.050 -12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.250 7.216 -13.642 1.00 0.00 H new ATOM 1145 N TYR A 74 12.756 11.943 -12.237 1.00 0.00 N ATOM 1146 CA TYR A 74 12.625 13.350 -12.590 1.00 0.00 C ATOM 1147 C TYR A 74 12.965 13.590 -14.054 1.00 0.00 C ATOM 1148 O TYR A 74 13.514 12.721 -14.733 1.00 0.00 O ATOM 1149 CB TYR A 74 13.561 14.212 -11.741 1.00 0.00 C ATOM 1150 CG TYR A 74 13.113 14.437 -10.315 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.932 15.115 -10.025 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.890 13.993 -9.256 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.543 15.343 -8.713 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.507 14.210 -7.950 1.00 0.00 C ATOM 1155 CZ TYR A 74 12.337 14.885 -7.682 1.00 0.00 C ATOM 1156 OH TYR A 74 11.967 15.111 -6.374 1.00 0.00 O ATOM 0 H TYR A 74 13.593 11.724 -11.697 1.00 0.00 H new ATOM 0 HA TYR A 74 11.586 13.625 -12.405 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.546 13.744 -11.726 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.676 15.181 -12.226 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.309 15.469 -10.834 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.812 13.468 -9.458 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.627 15.874 -8.501 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.123 13.851 -7.139 1.00 0.00 H new ATOM 0 HH TYR A 74 12.495 14.537 -5.781 1.00 0.00 H new ATOM 1166 N CYS A 75 12.652 14.787 -14.522 1.00 0.00 N ATOM 1167 CA CYS A 75 13.039 15.220 -15.857 1.00 0.00 C ATOM 1168 C CYS A 75 13.735 16.573 -15.765 1.00 0.00 C ATOM 1169 O CYS A 75 13.264 17.478 -15.074 1.00 0.00 O ATOM 1170 CB CYS A 75 11.821 15.333 -16.771 1.00 0.00 C ATOM 1171 SG CYS A 75 10.739 13.869 -16.783 1.00 0.00 S ATOM 0 H CYS A 75 12.126 15.483 -13.993 1.00 0.00 H new ATOM 0 HA CYS A 75 13.717 14.478 -16.280 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.234 16.199 -16.466 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.164 15.523 -17.788 1.00 0.00 H new ATOM 1176 N LYS A 76 14.846 16.722 -16.468 1.00 0.00 N ATOM 1177 CA LYS A 76 15.641 17.935 -16.362 1.00 0.00 C ATOM 1178 C LYS A 76 15.169 18.979 -17.363 1.00 0.00 C ATOM 1179 O LYS A 76 15.616 19.017 -18.509 1.00 0.00 O ATOM 1180 CB LYS A 76 17.124 17.620 -16.561 1.00 0.00 C ATOM 1181 CG LYS A 76 18.035 18.821 -16.382 1.00 0.00 C ATOM 1182 CD LYS A 76 19.495 18.416 -16.449 1.00 0.00 C ATOM 1183 CE LYS A 76 20.409 19.627 -16.406 1.00 0.00 C ATOM 1184 NZ LYS A 76 21.841 19.240 -16.316 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.216 16.024 -17.113 1.00 0.00 H new ATOM 0 HA LYS A 76 15.510 18.346 -15.361 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.419 16.844 -15.855 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.268 17.212 -17.562 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.824 19.560 -17.155 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.830 19.296 -15.423 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.729 17.752 -15.616 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.676 17.854 -17.365 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.252 20.232 -17.299 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.147 20.249 -15.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.431 20.096 -16.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.997 18.685 -15.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.099 18.668 -17.145 1.00 0.00 H new ATOM 1198 N ILE A 77 14.237 19.807 -16.925 1.00 0.00 N ATOM 1199 CA ILE A 77 13.742 20.903 -17.741 1.00 0.00 C ATOM 1200 C ILE A 77 14.560 22.168 -17.426 1.00 0.00 C ATOM 1201 O ILE A 77 15.061 22.301 -16.308 1.00 0.00 O ATOM 1202 CB ILE A 77 12.232 21.156 -17.455 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.431 19.839 -17.461 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.640 22.134 -18.451 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.535 19.023 -18.738 1.00 0.00 C ATOM 0 H ILE A 77 13.805 19.741 -16.003 1.00 0.00 H new ATOM 0 HA ILE A 77 13.850 20.647 -18.795 1.00 0.00 H new ATOM 0 HB ILE A 77 12.162 21.594 -16.459 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.769 19.223 -16.627 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.381 20.070 -17.281 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.585 22.290 -18.225 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.169 23.085 -18.386 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.739 21.732 -19.459 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.936 18.117 -18.641 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.167 19.613 -19.578 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.576 18.753 -18.913 1.00 0.00 H new ATOM 1217 N PRO A 78 14.753 23.089 -18.406 1.00 0.00 N ATOM 1218 CA PRO A 78 15.425 24.387 -18.173 1.00 0.00 C ATOM 1219 C PRO A 78 14.673 25.231 -17.141 1.00 0.00 C ATOM 1220 O PRO A 78 13.902 24.702 -16.362 1.00 0.00 O ATOM 1221 CB PRO A 78 15.383 25.057 -19.552 1.00 0.00 C ATOM 1222 CG PRO A 78 15.249 23.927 -20.509 1.00 0.00 C ATOM 1223 CD PRO A 78 14.365 22.938 -19.817 1.00 0.00 C ATOM 0 HA PRO A 78 16.434 24.272 -17.777 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.544 25.748 -19.633 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.289 25.633 -19.742 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.811 24.257 -21.451 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.220 23.492 -20.744 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.309 23.160 -19.973 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.534 21.923 -20.177 1.00 0.00 H new