USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 840 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 122 GLN : amide:sc= 0.839 K(o=1.8,f=-3.6) USER MOD Set 1.2: A 123 TYR OH : rot 118:sc= 0.957 USER MOD Set 2.1: A 112 SER OG : rot 180:sc= 0.962 USER MOD Set 2.2: A 115 GLN :FLIP amide:sc= 0.82 F(o=0.28,f=1.8) USER MOD Set 3.1: A 84 HIS : no HE2:sc= -7.03! C(o=-7.1!,f=-8.9!) USER MOD Set 3.2: A 93 TYR OH : rot -32:sc= -0.0513! USER MOD Set 4.1: A 82 LYS NZ :NH3+ 149:sc= 0.128 (180deg=0) USER MOD Set 4.2: A 94 SER OG : rot 88:sc= 2.17 USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= -0.142 (180deg=-0.628) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0321 X(o=-0.032,f=-0.37) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 40:sc= 0.111 USER MOD Single : A 26 SER OG : rot 43:sc= 0.0615 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= -0.0124 (180deg=-0.0429) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 0.112 (180deg=0.0132) USER MOD Single : A 38 TYR OH : rot 170:sc= -0.782 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 39:sc= 0.224 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot -56:sc= -2.7! USER MOD Single : A 65 THR OG1 : rot -167:sc= -0.951 USER MOD Single : A 68 THR OG1 : rot -140:sc= 0.572 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 140:sc= 0.244 (180deg=-2.16!) USER MOD Single : A 100 GLN : amide:sc= 0.325 X(o=0.32,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.0491 K(o=-0.049,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 62 N GLY A 11 -12.181 6.270 -2.182 1.00 0.00 N ATOM 63 CA GLY A 11 -11.885 5.129 -3.052 1.00 0.00 C ATOM 64 C GLY A 11 -10.394 5.028 -3.273 1.00 0.00 C ATOM 65 O GLY A 11 -9.921 4.760 -4.374 1.00 0.00 O ATOM 0 HA2 GLY A 11 -12.258 4.210 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.397 5.246 -4.007 1.00 0.00 H new ATOM 69 N LEU A 12 -9.605 5.247 -2.186 1.00 0.00 N ATOM 70 CA LEU A 12 -8.143 5.269 -2.163 1.00 0.00 C ATOM 71 C LEU A 12 -7.492 3.913 -2.029 1.00 0.00 C ATOM 72 O LEU A 12 -8.092 2.920 -1.598 1.00 0.00 O ATOM 73 CB LEU A 12 -7.712 6.110 -0.957 1.00 0.00 C ATOM 74 CG LEU A 12 -6.401 6.896 -0.799 1.00 0.00 C ATOM 75 CD1 LEU A 12 -6.274 8.010 -1.840 1.00 0.00 C ATOM 76 CD2 LEU A 12 -6.606 7.429 0.634 1.00 0.00 C ATOM 0 H LEU A 12 -10.006 5.420 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.822 5.675 -3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.507 6.842 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.748 5.432 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.484 6.325 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.333 8.540 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.294 7.577 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.105 8.707 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.745 8.030 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.505 8.044 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.713 6.591 1.322 1.00 0.00 H new ATOM 88 N ARG A 13 -6.189 3.940 -2.392 1.00 0.00 N ATOM 89 CA ARG A 13 -5.249 2.825 -2.501 1.00 0.00 C ATOM 90 C ARG A 13 -4.255 3.013 -1.389 1.00 0.00 C ATOM 91 O ARG A 13 -3.533 4.009 -1.387 1.00 0.00 O ATOM 92 CB ARG A 13 -4.482 2.897 -3.854 1.00 0.00 C ATOM 93 CG ARG A 13 -5.380 2.784 -5.096 1.00 0.00 C ATOM 94 CD ARG A 13 -4.561 2.955 -6.384 1.00 0.00 C ATOM 95 NE ARG A 13 -5.461 2.891 -7.587 1.00 0.00 N ATOM 96 CZ ARG A 13 -5.564 1.804 -8.414 1.00 0.00 C ATOM 97 NH1 ARG A 13 -4.923 0.632 -8.131 1.00 0.00 N ATOM 98 NH2 ARG A 13 -6.325 1.902 -9.543 1.00 0.00 N ATOM 0 H ARG A 13 -5.740 4.823 -2.635 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.772 1.870 -2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.936 3.839 -3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.741 2.098 -3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.877 1.814 -5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.162 3.542 -5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.036 3.910 -6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.802 2.175 -6.447 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.031 3.709 -7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.353 0.553 -7.289 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.014 -0.164 -8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.806 2.775 -9.760 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.413 1.102 -10.170 1.00 0.00 H new ATOM 112 N VAL A 14 -4.213 2.131 -0.359 1.00 0.00 N ATOM 113 CA VAL A 14 -3.405 2.430 0.815 1.00 0.00 C ATOM 114 C VAL A 14 -2.496 1.309 1.231 1.00 0.00 C ATOM 115 O VAL A 14 -2.609 0.157 0.834 1.00 0.00 O ATOM 116 CB VAL A 14 -4.232 3.031 1.971 1.00 0.00 C ATOM 117 CG1 VAL A 14 -4.987 4.249 1.435 1.00 0.00 C ATOM 118 CG2 VAL A 14 -5.261 2.177 2.658 1.00 0.00 C ATOM 0 H VAL A 14 -4.714 1.243 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.722 3.221 0.506 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.473 3.222 2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.580 4.691 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.274 4.984 1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.646 3.940 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.748 2.755 3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.006 1.851 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.776 1.305 3.097 1.00 0.00 H new ATOM 128 N VAL A 15 -1.499 1.620 2.079 1.00 0.00 N ATOM 129 CA VAL A 15 -0.586 0.621 2.667 1.00 0.00 C ATOM 130 C VAL A 15 -0.662 0.860 4.133 1.00 0.00 C ATOM 131 O VAL A 15 -1.097 1.929 4.536 1.00 0.00 O ATOM 132 CB VAL A 15 0.852 0.531 2.187 1.00 0.00 C ATOM 133 CG1 VAL A 15 0.867 -0.178 0.812 1.00 0.00 C ATOM 134 CG2 VAL A 15 1.474 1.923 2.158 1.00 0.00 C ATOM 0 H VAL A 15 -1.303 2.575 2.377 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.933 -0.355 2.327 1.00 0.00 H new ATOM 0 HB VAL A 15 1.462 -0.061 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.893 -0.251 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.446 -1.178 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.273 0.395 0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.506 1.853 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.907 2.561 1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.455 2.351 3.160 1.00 0.00 H new ATOM 144 N ALA A 16 -0.326 -0.192 4.912 1.00 0.00 N ATOM 145 CA ALA A 16 -0.665 -0.365 6.295 1.00 0.00 C ATOM 146 C ALA A 16 0.490 -0.625 7.247 1.00 0.00 C ATOM 147 O ALA A 16 1.050 -1.710 7.320 1.00 0.00 O ATOM 148 CB ALA A 16 -1.678 -1.552 6.240 1.00 0.00 C ATOM 0 H ALA A 16 0.220 -0.973 4.548 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.061 0.558 6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.019 -1.787 7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.533 -1.273 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.191 -2.427 5.809 1.00 0.00 H new ATOM 154 N LYS A 17 0.842 0.377 8.083 1.00 0.00 N ATOM 155 CA LYS A 17 1.876 0.321 9.105 1.00 0.00 C ATOM 156 C LYS A 17 1.211 0.675 10.438 1.00 0.00 C ATOM 157 O LYS A 17 0.480 1.650 10.482 1.00 0.00 O ATOM 158 CB LYS A 17 2.962 1.400 8.833 1.00 0.00 C ATOM 159 CG LYS A 17 4.374 0.874 8.578 1.00 0.00 C ATOM 160 CD LYS A 17 5.428 1.983 8.776 1.00 0.00 C ATOM 161 CE LYS A 17 5.268 3.239 7.889 1.00 0.00 C ATOM 162 NZ LYS A 17 4.357 4.240 8.476 1.00 0.00 N ATOM 0 H LYS A 17 0.381 1.286 8.050 1.00 0.00 H new ATOM 0 HA LYS A 17 2.334 -0.668 9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.653 1.990 7.970 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.996 2.077 9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.583 0.045 9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.441 0.482 7.563 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.406 2.295 9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.414 1.556 8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.246 3.693 7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.892 2.942 6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.604 5.185 8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.377 4.015 8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.447 4.226 9.512 1.00 0.00 H new ATOM 176 N TRP A 18 1.428 -0.012 11.586 1.00 0.00 N ATOM 177 CA TRP A 18 0.801 0.441 12.849 1.00 0.00 C ATOM 178 C TRP A 18 1.650 1.425 13.659 1.00 0.00 C ATOM 179 O TRP A 18 1.238 2.524 14.018 1.00 0.00 O ATOM 180 CB TRP A 18 0.278 -0.742 13.700 1.00 0.00 C ATOM 181 CG TRP A 18 -1.038 -1.262 13.179 1.00 0.00 C ATOM 182 CD1 TRP A 18 -1.431 -2.409 12.545 1.00 0.00 C ATOM 183 CD2 TRP A 18 -2.209 -0.482 13.401 1.00 0.00 C ATOM 184 NE1 TRP A 18 -2.804 -2.400 12.376 1.00 0.00 N ATOM 185 CE2 TRP A 18 -3.290 -1.222 12.922 1.00 0.00 C ATOM 186 CE3 TRP A 18 -2.354 0.743 13.985 1.00 0.00 C ATOM 187 CZ2 TRP A 18 -4.561 -0.746 13.051 1.00 0.00 C ATOM 188 CZ3 TRP A 18 -3.633 1.159 14.206 1.00 0.00 C ATOM 189 CH2 TRP A 18 -4.719 0.438 13.746 1.00 0.00 C ATOM 0 H TRP A 18 2.008 -0.848 11.664 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.069 1.022 12.542 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.014 -1.546 13.698 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.159 -0.422 14.735 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.770 -3.201 12.225 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.360 -3.130 11.929 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.502 1.349 14.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.406 -1.270 12.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.802 2.074 14.754 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.716 0.809 13.934 1.00 0.00 H new ATOM 200 N SER A 19 2.890 1.026 13.955 1.00 0.00 N ATOM 201 CA SER A 19 3.925 1.826 14.585 1.00 0.00 C ATOM 202 C SER A 19 5.032 1.588 13.592 1.00 0.00 C ATOM 203 O SER A 19 4.997 0.545 12.935 1.00 0.00 O ATOM 204 CB SER A 19 4.250 1.376 16.036 1.00 0.00 C ATOM 205 OG SER A 19 5.149 2.280 16.684 1.00 0.00 O ATOM 0 H SER A 19 3.209 0.080 13.746 1.00 0.00 H new ATOM 0 HA SER A 19 3.682 2.875 14.752 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.326 1.308 16.611 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.689 0.378 16.017 1.00 0.00 H new ATOM 0 HG SER A 19 5.329 1.966 17.595 1.00 0.00 H new ATOM 211 N SER A 20 6.009 2.518 13.396 1.00 0.00 N ATOM 212 CA SER A 20 7.051 2.406 12.360 1.00 0.00 C ATOM 213 C SER A 20 7.942 1.171 12.453 1.00 0.00 C ATOM 214 O SER A 20 8.741 1.002 13.368 1.00 0.00 O ATOM 215 CB SER A 20 7.921 3.680 12.308 1.00 0.00 C ATOM 216 OG SER A 20 7.055 4.798 12.140 1.00 0.00 O ATOM 0 H SER A 20 6.087 3.365 13.959 1.00 0.00 H new ATOM 0 HA SER A 20 6.491 2.289 11.432 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.502 3.782 13.225 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.633 3.622 11.484 1.00 0.00 H new ATOM 0 HG SER A 20 7.586 5.621 12.106 1.00 0.00 H new ATOM 222 N ASN A 21 7.720 0.254 11.475 1.00 0.00 N ATOM 223 CA ASN A 21 8.225 -1.106 11.492 1.00 0.00 C ATOM 224 C ASN A 21 9.467 -1.427 10.701 1.00 0.00 C ATOM 225 O ASN A 21 10.225 -2.327 11.044 1.00 0.00 O ATOM 226 CB ASN A 21 7.071 -1.945 10.827 1.00 0.00 C ATOM 227 CG ASN A 21 5.848 -2.118 11.724 1.00 0.00 C ATOM 228 OD1 ASN A 21 4.718 -1.952 11.256 1.00 0.00 O ATOM 229 ND2 ASN A 21 6.068 -2.561 12.985 1.00 0.00 N ATOM 0 H ASN A 21 7.170 0.465 10.642 1.00 0.00 H new ATOM 0 HA ASN A 21 8.502 -1.312 12.526 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.766 -1.458 9.901 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.456 -2.929 10.558 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.279 -2.774 13.596 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.022 -2.681 13.324 1.00 0.00 H new ATOM 236 N GLY A 22 9.649 -0.724 9.580 1.00 0.00 N ATOM 237 CA GLY A 22 10.640 -0.974 8.550 1.00 0.00 C ATOM 238 C GLY A 22 10.014 -1.562 7.322 1.00 0.00 C ATOM 239 O GLY A 22 10.577 -1.377 6.255 1.00 0.00 O ATOM 0 H GLY A 22 9.067 0.085 9.361 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.143 -0.042 8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.402 -1.653 8.933 1.00 0.00 H new ATOM 243 N TYR A 23 8.801 -2.166 7.408 1.00 0.00 N ATOM 244 CA TYR A 23 7.874 -2.487 6.327 1.00 0.00 C ATOM 245 C TYR A 23 6.418 -2.197 6.622 1.00 0.00 C ATOM 246 O TYR A 23 5.986 -2.226 7.773 1.00 0.00 O ATOM 247 CB TYR A 23 8.154 -3.734 5.465 1.00 0.00 C ATOM 248 CG TYR A 23 8.655 -4.929 6.208 1.00 0.00 C ATOM 249 CD1 TYR A 23 7.899 -5.532 7.195 1.00 0.00 C ATOM 250 CD2 TYR A 23 9.850 -5.503 5.830 1.00 0.00 C ATOM 251 CE1 TYR A 23 8.326 -6.710 7.778 1.00 0.00 C ATOM 252 CE2 TYR A 23 10.272 -6.684 6.405 1.00 0.00 C ATOM 253 CZ TYR A 23 9.497 -7.302 7.359 1.00 0.00 C ATOM 254 OH TYR A 23 9.870 -8.558 7.876 1.00 0.00 O ATOM 0 H TYR A 23 8.430 -2.458 8.312 1.00 0.00 H new ATOM 0 HA TYR A 23 8.154 -1.722 5.603 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.236 -4.009 4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.885 -3.470 4.701 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.970 -5.081 7.512 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.460 -5.025 5.078 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.741 -7.167 8.563 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.212 -7.124 6.106 1.00 0.00 H new ATOM 0 HH TYR A 23 10.721 -8.836 7.477 1.00 0.00 H new ATOM 264 N PHE A 24 5.613 -1.886 5.563 1.00 0.00 N ATOM 265 CA PHE A 24 4.187 -1.568 5.602 1.00 0.00 C ATOM 266 C PHE A 24 3.559 -2.672 4.766 1.00 0.00 C ATOM 267 O PHE A 24 4.145 -3.118 3.784 1.00 0.00 O ATOM 268 CB PHE A 24 3.715 -0.086 5.195 1.00 0.00 C ATOM 269 CG PHE A 24 4.797 0.992 4.952 1.00 0.00 C ATOM 270 CD1 PHE A 24 5.971 0.990 5.692 1.00 0.00 C ATOM 271 CD2 PHE A 24 4.709 1.979 3.956 1.00 0.00 C ATOM 272 CE1 PHE A 24 7.043 1.784 5.452 1.00 0.00 C ATOM 273 CE2 PHE A 24 5.769 2.856 3.782 1.00 0.00 C ATOM 274 CZ PHE A 24 6.934 2.738 4.498 1.00 0.00 C ATOM 0 H PHE A 24 5.982 -1.854 4.613 1.00 0.00 H new ATOM 0 HA PHE A 24 3.851 -1.541 6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.117 -0.166 4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.054 0.279 5.981 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.035 0.303 6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.829 2.054 3.335 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.961 1.659 6.008 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.675 3.655 3.062 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.761 3.404 4.301 1.00 0.00 H new ATOM 284 N TYR A 25 2.366 -3.094 5.223 1.00 0.00 N ATOM 285 CA TYR A 25 1.379 -4.089 4.851 1.00 0.00 C ATOM 286 C TYR A 25 0.328 -3.450 3.969 1.00 0.00 C ATOM 287 O TYR A 25 0.524 -2.384 3.410 1.00 0.00 O ATOM 288 CB TYR A 25 0.794 -4.812 6.110 1.00 0.00 C ATOM 289 CG TYR A 25 1.922 -5.223 7.031 1.00 0.00 C ATOM 290 CD1 TYR A 25 2.923 -6.076 6.594 1.00 0.00 C ATOM 291 CD2 TYR A 25 2.017 -4.691 8.308 1.00 0.00 C ATOM 292 CE1 TYR A 25 4.016 -6.349 7.395 1.00 0.00 C ATOM 293 CE2 TYR A 25 3.102 -4.975 9.115 1.00 0.00 C ATOM 294 CZ TYR A 25 4.106 -5.795 8.654 1.00 0.00 C ATOM 295 OH TYR A 25 5.218 -6.060 9.480 1.00 0.00 O ATOM 0 H TYR A 25 2.013 -2.620 6.054 1.00 0.00 H new ATOM 0 HA TYR A 25 1.852 -4.878 4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.106 -4.149 6.635 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.222 -5.689 5.805 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.848 -6.532 5.618 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.233 -4.046 8.677 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.801 -6.997 7.034 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.162 -4.553 10.107 1.00 0.00 H new ATOM 0 HH TYR A 25 6.035 -6.061 8.938 1.00 0.00 H new ATOM 305 N SER A 26 -0.756 -4.155 3.650 1.00 0.00 N ATOM 306 CA SER A 26 -1.805 -3.740 2.726 1.00 0.00 C ATOM 307 C SER A 26 -3.199 -3.250 3.221 1.00 0.00 C ATOM 308 O SER A 26 -3.860 -3.959 3.976 1.00 0.00 O ATOM 309 CB SER A 26 -2.059 -5.025 1.935 1.00 0.00 C ATOM 310 OG SER A 26 -2.402 -6.153 2.747 1.00 0.00 O ATOM 0 H SER A 26 -0.933 -5.076 4.050 1.00 0.00 H new ATOM 0 HA SER A 26 -1.426 -2.839 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.863 -4.847 1.221 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.167 -5.265 1.356 1.00 0.00 H new ATOM 0 HG SER A 26 -3.034 -5.875 3.443 1.00 0.00 H new ATOM 316 N GLY A 27 -3.709 -2.067 2.749 1.00 0.00 N ATOM 317 CA GLY A 27 -5.025 -1.499 3.101 1.00 0.00 C ATOM 318 C GLY A 27 -5.827 -0.846 1.972 1.00 0.00 C ATOM 319 O GLY A 27 -5.286 -0.447 0.942 1.00 0.00 O ATOM 0 H GLY A 27 -3.191 -1.478 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.633 -2.295 3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.874 -0.755 3.883 1.00 0.00 H new ATOM 323 N LYS A 28 -7.160 -0.617 2.180 1.00 0.00 N ATOM 324 CA LYS A 28 -8.008 0.213 1.276 1.00 0.00 C ATOM 325 C LYS A 28 -8.852 1.273 2.048 1.00 0.00 C ATOM 326 O LYS A 28 -9.273 0.987 3.166 1.00 0.00 O ATOM 327 CB LYS A 28 -8.886 -0.658 0.346 1.00 0.00 C ATOM 328 CG LYS A 28 -9.878 -1.591 1.056 1.00 0.00 C ATOM 329 CD LYS A 28 -10.556 -2.578 0.098 1.00 0.00 C ATOM 330 CE LYS A 28 -11.586 -3.484 0.788 1.00 0.00 C ATOM 331 NZ LYS A 28 -12.775 -2.707 1.205 1.00 0.00 N ATOM 0 H LYS A 28 -7.671 -1.002 2.975 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.321 0.772 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.445 0.001 -0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.231 -1.262 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.354 -2.148 1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.641 -0.992 1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.049 -2.020 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.794 -3.199 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.887 -4.282 0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.133 -3.960 1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.500 -3.354 1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.504 -2.029 1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.158 -2.192 0.387 1.00 0.00 H new ATOM 345 N ILE A 29 -9.127 2.535 1.530 1.00 0.00 N ATOM 346 CA ILE A 29 -9.938 3.556 2.263 1.00 0.00 C ATOM 347 C ILE A 29 -11.392 3.644 1.831 1.00 0.00 C ATOM 348 O ILE A 29 -11.730 3.517 0.657 1.00 0.00 O ATOM 349 CB ILE A 29 -9.350 4.971 2.166 1.00 0.00 C ATOM 350 CG1 ILE A 29 -7.910 4.943 2.655 1.00 0.00 C ATOM 351 CG2 ILE A 29 -10.056 6.103 2.944 1.00 0.00 C ATOM 352 CD1 ILE A 29 -7.713 4.315 4.024 1.00 0.00 C ATOM 0 H ILE A 29 -8.796 2.850 0.618 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.899 3.192 3.290 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.477 5.217 1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.306 4.397 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.530 5.964 2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.528 7.042 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.084 6.199 2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.055 5.868 4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.656 4.340 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.285 4.872 4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.057 3.281 4.003 1.00 0.00 H new ATOM 364 N THR A 30 -12.273 3.898 2.831 1.00 0.00 N ATOM 365 CA THR A 30 -13.719 4.030 2.680 1.00 0.00 C ATOM 366 C THR A 30 -14.204 5.415 3.115 1.00 0.00 C ATOM 367 O THR A 30 -15.267 5.862 2.688 1.00 0.00 O ATOM 368 CB THR A 30 -14.457 2.910 3.416 1.00 0.00 C ATOM 369 OG1 THR A 30 -13.837 1.660 3.153 1.00 0.00 O ATOM 370 CG2 THR A 30 -15.924 2.773 2.972 1.00 0.00 C ATOM 0 H THR A 30 -11.970 4.019 3.797 1.00 0.00 H new ATOM 0 HA THR A 30 -13.952 3.929 1.620 1.00 0.00 H new ATOM 0 HB THR A 30 -14.419 3.173 4.473 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.316 0.950 3.630 1.00 0.00 H new ATOM 0 HG21 THR A 30 -16.398 1.963 3.527 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.452 3.706 3.169 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.962 2.552 1.905 1.00 0.00 H new ATOM 378 N ARG A 31 -13.442 6.159 3.982 1.00 0.00 N ATOM 379 CA ARG A 31 -13.860 7.482 4.417 1.00 0.00 C ATOM 380 C ARG A 31 -12.568 8.138 4.873 1.00 0.00 C ATOM 381 O ARG A 31 -11.600 7.430 5.130 1.00 0.00 O ATOM 382 CB ARG A 31 -14.874 7.366 5.600 1.00 0.00 C ATOM 383 CG ARG A 31 -15.274 8.672 6.310 1.00 0.00 C ATOM 384 CD ARG A 31 -16.442 8.488 7.294 1.00 0.00 C ATOM 385 NE ARG A 31 -16.718 9.803 7.979 1.00 0.00 N ATOM 386 CZ ARG A 31 -16.054 10.233 9.098 1.00 0.00 C ATOM 387 NH1 ARG A 31 -15.123 9.449 9.712 1.00 0.00 N ATOM 388 NH2 ARG A 31 -16.328 11.472 9.605 1.00 0.00 N ATOM 0 H ARG A 31 -12.553 5.847 4.373 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.364 8.051 3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -15.781 6.894 5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.450 6.692 6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.412 9.065 6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.550 9.416 5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -17.331 8.146 6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.196 7.724 8.031 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.440 10.407 7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.910 8.524 9.339 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.640 9.788 10.544 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.021 12.067 9.151 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.840 11.802 10.437 1.00 0.00 H new ATOM 402 N ASP A 32 -12.474 9.479 5.051 1.00 0.00 N ATOM 403 CA ASP A 32 -11.289 10.148 5.609 1.00 0.00 C ATOM 404 C ASP A 32 -11.587 10.584 7.047 1.00 0.00 C ATOM 405 O ASP A 32 -12.687 11.044 7.345 1.00 0.00 O ATOM 406 CB ASP A 32 -10.768 11.320 4.720 1.00 0.00 C ATOM 407 CG ASP A 32 -11.879 12.232 4.177 1.00 0.00 C ATOM 408 OD1 ASP A 32 -12.445 13.029 4.971 1.00 0.00 O ATOM 409 OD2 ASP A 32 -12.164 12.147 2.951 1.00 0.00 O ATOM 0 H ASP A 32 -13.226 10.124 4.808 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.467 9.432 5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.070 11.922 5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.209 10.906 3.881 1.00 0.00 H new ATOM 414 N VAL A 33 -10.608 10.439 7.983 1.00 0.00 N ATOM 415 CA VAL A 33 -10.760 10.847 9.383 1.00 0.00 C ATOM 416 C VAL A 33 -9.907 12.102 9.527 1.00 0.00 C ATOM 417 O VAL A 33 -8.736 12.092 9.185 1.00 0.00 O ATOM 418 CB VAL A 33 -10.491 9.755 10.468 1.00 0.00 C ATOM 419 CG1 VAL A 33 -11.859 9.275 10.985 1.00 0.00 C ATOM 420 CG2 VAL A 33 -9.692 8.523 9.990 1.00 0.00 C ATOM 0 H VAL A 33 -9.695 10.034 7.774 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.812 11.041 9.592 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.870 10.224 11.231 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.712 8.509 11.747 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.401 10.117 11.416 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.435 8.858 10.158 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.562 7.829 10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.234 8.028 9.185 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.715 8.842 9.627 1.00 0.00 H new ATOM 430 N GLY A 34 -10.501 13.229 9.998 1.00 0.00 N ATOM 431 CA GLY A 34 -9.965 14.594 10.215 1.00 0.00 C ATOM 432 C GLY A 34 -8.698 15.118 9.533 1.00 0.00 C ATOM 433 O GLY A 34 -8.613 15.239 8.313 1.00 0.00 O ATOM 0 H GLY A 34 -11.485 13.196 10.266 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.765 15.285 9.950 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.801 14.693 11.288 1.00 0.00 H new ATOM 437 N ALA A 35 -7.682 15.492 10.351 1.00 0.00 N ATOM 438 CA ALA A 35 -6.365 15.968 9.944 1.00 0.00 C ATOM 439 C ALA A 35 -5.313 14.908 10.159 1.00 0.00 C ATOM 440 O ALA A 35 -4.972 14.559 11.285 1.00 0.00 O ATOM 441 CB ALA A 35 -6.022 17.241 10.746 1.00 0.00 C ATOM 0 H ALA A 35 -7.780 15.462 11.366 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.384 16.199 8.879 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.038 17.605 10.448 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.769 18.009 10.546 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.016 17.009 11.811 1.00 0.00 H new ATOM 447 N GLY A 36 -4.753 14.386 9.037 1.00 0.00 N ATOM 448 CA GLY A 36 -3.697 13.391 9.000 1.00 0.00 C ATOM 449 C GLY A 36 -4.132 11.985 9.261 1.00 0.00 C ATOM 450 O GLY A 36 -3.333 11.191 9.745 1.00 0.00 O ATOM 0 H GLY A 36 -5.051 14.672 8.104 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.219 13.430 8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.940 13.662 9.736 1.00 0.00 H new ATOM 454 N LYS A 37 -5.415 11.651 8.998 1.00 0.00 N ATOM 455 CA LYS A 37 -5.985 10.341 9.225 1.00 0.00 C ATOM 456 C LYS A 37 -6.803 9.843 8.026 1.00 0.00 C ATOM 457 O LYS A 37 -7.216 10.594 7.143 1.00 0.00 O ATOM 458 CB LYS A 37 -6.592 10.212 10.676 1.00 0.00 C ATOM 459 CG LYS A 37 -6.698 11.513 11.495 1.00 0.00 C ATOM 460 CD LYS A 37 -7.481 11.358 12.805 1.00 0.00 C ATOM 461 CE LYS A 37 -7.682 12.702 13.522 1.00 0.00 C ATOM 462 NZ LYS A 37 -6.386 13.296 13.928 1.00 0.00 N ATOM 0 H LYS A 37 -6.085 12.316 8.612 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.196 9.589 9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.589 9.780 10.592 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.984 9.503 11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.694 11.871 11.723 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.178 12.278 10.884 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.453 10.911 12.595 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.950 10.672 13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.210 13.392 12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.309 12.557 14.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.551 14.032 14.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.775 12.555 14.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.922 13.718 13.098 1.00 0.00 H new ATOM 476 N TYR A 38 -7.046 8.499 7.983 1.00 0.00 N ATOM 477 CA TYR A 38 -7.751 7.699 6.987 1.00 0.00 C ATOM 478 C TYR A 38 -8.659 6.638 7.661 1.00 0.00 C ATOM 479 O TYR A 38 -8.242 6.021 8.642 1.00 0.00 O ATOM 480 CB TYR A 38 -6.699 6.998 6.108 1.00 0.00 C ATOM 481 CG TYR A 38 -6.039 8.038 5.241 1.00 0.00 C ATOM 482 CD1 TYR A 38 -6.778 8.784 4.350 1.00 0.00 C ATOM 483 CD2 TYR A 38 -4.711 8.351 5.423 1.00 0.00 C ATOM 484 CE1 TYR A 38 -6.236 9.918 3.788 1.00 0.00 C ATOM 485 CE2 TYR A 38 -4.117 9.435 4.803 1.00 0.00 C ATOM 486 CZ TYR A 38 -4.930 10.270 4.044 1.00 0.00 C ATOM 487 OH TYR A 38 -4.451 11.462 3.457 1.00 0.00 O ATOM 0 H TYR A 38 -6.706 7.904 8.738 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.389 8.348 6.387 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.958 6.496 6.730 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.169 6.232 5.491 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.782 8.480 4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.113 7.729 6.072 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.840 10.536 3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.059 9.626 4.905 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.576 11.685 3.838 1.00 0.00 H new ATOM 497 N LYS A 39 -9.940 6.379 7.202 1.00 0.00 N ATOM 498 CA LYS A 39 -10.854 5.353 7.743 1.00 0.00 C ATOM 499 C LYS A 39 -10.777 4.279 6.730 1.00 0.00 C ATOM 500 O LYS A 39 -11.094 4.416 5.538 1.00 0.00 O ATOM 501 CB LYS A 39 -12.334 5.771 7.917 1.00 0.00 C ATOM 502 CG LYS A 39 -13.181 4.674 8.601 1.00 0.00 C ATOM 503 CD LYS A 39 -14.679 4.697 8.280 1.00 0.00 C ATOM 504 CE LYS A 39 -14.963 3.980 6.957 1.00 0.00 C ATOM 505 NZ LYS A 39 -16.396 4.052 6.597 1.00 0.00 N ATOM 0 H LYS A 39 -10.352 6.901 6.429 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.546 5.096 8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.383 6.685 8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.761 6.000 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.782 3.701 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.058 4.765 9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.235 4.218 9.085 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.027 5.728 8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.365 4.428 6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.659 2.936 7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.553 3.557 5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.964 3.602 7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.680 5.048 6.498 1.00 0.00 H new ATOM 519 N LEU A 40 -10.244 3.166 7.244 1.00 0.00 N ATOM 520 CA LEU A 40 -9.753 2.153 6.353 1.00 0.00 C ATOM 521 C LEU A 40 -10.231 0.809 6.666 1.00 0.00 C ATOM 522 O LEU A 40 -10.580 0.467 7.784 1.00 0.00 O ATOM 523 CB LEU A 40 -8.204 2.163 6.432 1.00 0.00 C ATOM 524 CG LEU A 40 -7.503 1.600 7.691 1.00 0.00 C ATOM 525 CD1 LEU A 40 -8.140 1.949 9.030 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.168 0.099 7.545 1.00 0.00 C ATOM 0 H LEU A 40 -10.150 2.962 8.239 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.124 2.388 5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.829 1.607 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.877 3.196 6.310 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.560 2.145 7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.561 1.499 9.837 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.155 3.032 9.154 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.160 1.566 9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.677 -0.254 8.452 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.087 -0.465 7.387 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.503 -0.044 6.693 1.00 0.00 H new ATOM 538 N LEU A 41 -10.224 -0.065 5.668 1.00 0.00 N ATOM 539 CA LEU A 41 -10.446 -1.445 5.931 1.00 0.00 C ATOM 540 C LEU A 41 -9.318 -2.149 5.248 1.00 0.00 C ATOM 541 O LEU A 41 -8.866 -1.719 4.195 1.00 0.00 O ATOM 542 CB LEU A 41 -11.951 -1.624 5.676 1.00 0.00 C ATOM 543 CG LEU A 41 -12.595 -2.996 5.893 1.00 0.00 C ATOM 544 CD1 LEU A 41 -14.106 -2.906 6.181 1.00 0.00 C ATOM 545 CD2 LEU A 41 -12.473 -3.841 4.630 1.00 0.00 C ATOM 0 H LEU A 41 -10.068 0.171 4.688 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.363 -1.910 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.477 -0.912 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.144 -1.332 4.644 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.073 -3.431 6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.509 -3.908 6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.270 -2.315 7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.609 -2.431 5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.935 -4.814 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.977 -3.337 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.420 -3.977 4.383 1.00 0.00 H new ATOM 557 N PHE A 42 -8.754 -3.263 5.778 1.00 0.00 N ATOM 558 CA PHE A 42 -7.691 -4.013 5.060 1.00 0.00 C ATOM 559 C PHE A 42 -8.337 -4.766 3.889 1.00 0.00 C ATOM 560 O PHE A 42 -9.495 -5.155 4.002 1.00 0.00 O ATOM 561 CB PHE A 42 -6.915 -5.068 5.929 1.00 0.00 C ATOM 562 CG PHE A 42 -5.854 -4.476 6.843 1.00 0.00 C ATOM 563 CD1 PHE A 42 -6.050 -3.355 7.642 1.00 0.00 C ATOM 564 CD2 PHE A 42 -4.623 -5.114 6.924 1.00 0.00 C ATOM 565 CE1 PHE A 42 -5.033 -2.862 8.442 1.00 0.00 C ATOM 566 CE2 PHE A 42 -3.607 -4.621 7.718 1.00 0.00 C ATOM 567 CZ PHE A 42 -3.804 -3.484 8.469 1.00 0.00 C ATOM 0 H PHE A 42 -9.011 -3.657 6.683 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.961 -3.266 4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.634 -5.618 6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.441 -5.790 5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.010 -2.861 7.639 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.457 -6.016 6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.204 -1.985 9.048 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.654 -5.129 7.750 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.003 -3.084 9.073 1.00 0.00 H new ATOM 577 N ASP A 43 -7.653 -5.030 2.735 1.00 0.00 N ATOM 578 CA ASP A 43 -8.260 -5.697 1.552 1.00 0.00 C ATOM 579 C ASP A 43 -8.800 -7.138 1.764 1.00 0.00 C ATOM 580 O ASP A 43 -9.481 -7.727 0.933 1.00 0.00 O ATOM 581 CB ASP A 43 -7.376 -5.567 0.275 1.00 0.00 C ATOM 582 CG ASP A 43 -6.086 -6.392 0.311 1.00 0.00 C ATOM 583 OD1 ASP A 43 -5.273 -6.212 1.256 1.00 0.00 O ATOM 584 OD2 ASP A 43 -5.903 -7.208 -0.629 1.00 0.00 O ATOM 0 H ASP A 43 -6.671 -4.786 2.604 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.172 -5.122 1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.963 -5.872 -0.591 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.118 -4.518 0.132 1.00 0.00 H new ATOM 589 N ASP A 44 -8.492 -7.654 2.972 1.00 0.00 N ATOM 590 CA ASP A 44 -8.863 -8.891 3.614 1.00 0.00 C ATOM 591 C ASP A 44 -9.908 -8.714 4.752 1.00 0.00 C ATOM 592 O ASP A 44 -10.354 -9.708 5.316 1.00 0.00 O ATOM 593 CB ASP A 44 -7.547 -9.619 4.038 1.00 0.00 C ATOM 594 CG ASP A 44 -6.680 -8.830 5.036 1.00 0.00 C ATOM 595 OD1 ASP A 44 -7.050 -8.767 6.238 1.00 0.00 O ATOM 596 OD2 ASP A 44 -5.629 -8.288 4.600 1.00 0.00 O ATOM 0 H ASP A 44 -7.888 -7.116 3.593 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.401 -9.528 2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.804 -10.582 4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.956 -9.826 3.146 1.00 0.00 H new ATOM 601 N GLY A 45 -10.381 -7.467 5.083 1.00 0.00 N ATOM 602 CA GLY A 45 -11.555 -7.212 5.937 1.00 0.00 C ATOM 603 C GLY A 45 -11.391 -6.729 7.359 1.00 0.00 C ATOM 604 O GLY A 45 -12.344 -6.802 8.129 1.00 0.00 O ATOM 0 H GLY A 45 -9.939 -6.610 4.750 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.173 -6.478 5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.127 -8.139 5.978 1.00 0.00 H new ATOM 608 N TYR A 46 -10.215 -6.205 7.777 1.00 0.00 N ATOM 609 CA TYR A 46 -9.976 -5.696 9.132 1.00 0.00 C ATOM 610 C TYR A 46 -10.094 -4.167 9.136 1.00 0.00 C ATOM 611 O TYR A 46 -9.216 -3.475 8.627 1.00 0.00 O ATOM 612 CB TYR A 46 -8.576 -6.190 9.634 1.00 0.00 C ATOM 613 CG TYR A 46 -8.311 -5.903 11.097 1.00 0.00 C ATOM 614 CD1 TYR A 46 -8.890 -6.675 12.089 1.00 0.00 C ATOM 615 CD2 TYR A 46 -7.489 -4.849 11.465 1.00 0.00 C ATOM 616 CE1 TYR A 46 -8.666 -6.391 13.422 1.00 0.00 C ATOM 617 CE2 TYR A 46 -7.269 -4.558 12.798 1.00 0.00 C ATOM 618 CZ TYR A 46 -7.863 -5.327 13.778 1.00 0.00 C ATOM 619 OH TYR A 46 -7.657 -5.016 15.139 1.00 0.00 O ATOM 0 H TYR A 46 -9.400 -6.127 7.168 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.727 -6.081 9.822 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.499 -7.264 9.465 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.798 -5.716 9.035 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.523 -7.507 11.818 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.016 -4.249 10.702 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.120 -7.003 14.187 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.633 -3.730 13.073 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.065 -4.239 15.211 1.00 0.00 H new ATOM 629 N GLU A 47 -11.186 -3.584 9.710 1.00 0.00 N ATOM 630 CA GLU A 47 -11.432 -2.132 9.767 1.00 0.00 C ATOM 631 C GLU A 47 -10.923 -1.418 11.006 1.00 0.00 C ATOM 632 O GLU A 47 -10.808 -2.002 12.083 1.00 0.00 O ATOM 633 CB GLU A 47 -12.935 -1.777 9.571 1.00 0.00 C ATOM 634 CG GLU A 47 -13.257 -0.264 9.416 1.00 0.00 C ATOM 635 CD GLU A 47 -14.523 -0.056 8.594 1.00 0.00 C ATOM 636 OE1 GLU A 47 -15.617 -0.454 9.078 1.00 0.00 O ATOM 637 OE2 GLU A 47 -14.415 0.496 7.467 1.00 0.00 O ATOM 0 H GLU A 47 -11.927 -4.129 10.151 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.838 -1.764 8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.300 -2.300 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.494 -2.163 10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.380 0.188 10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.420 0.242 8.935 1.00 0.00 H new ATOM 644 N CYS A 48 -10.628 -0.092 10.854 1.00 0.00 N ATOM 645 CA CYS A 48 -10.158 0.754 11.929 1.00 0.00 C ATOM 646 C CYS A 48 -10.424 2.158 11.436 1.00 0.00 C ATOM 647 O CYS A 48 -10.837 2.347 10.287 1.00 0.00 O ATOM 648 CB CYS A 48 -8.638 0.520 12.209 1.00 0.00 C ATOM 649 SG CYS A 48 -8.350 -0.677 13.550 1.00 0.00 S ATOM 0 H CYS A 48 -10.720 0.397 9.964 1.00 0.00 H new ATOM 0 HA CYS A 48 -10.659 0.548 12.875 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.155 0.164 11.299 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.169 1.470 12.468 1.00 0.00 H new ATOM 0 HG CYS A 48 -9.218 -1.641 13.465 1.00 0.00 H new ATOM 655 N ASP A 49 -10.105 3.189 12.262 1.00 0.00 N ATOM 656 CA ASP A 49 -10.023 4.571 11.809 1.00 0.00 C ATOM 657 C ASP A 49 -8.638 4.808 12.299 1.00 0.00 C ATOM 658 O ASP A 49 -8.327 4.428 13.432 1.00 0.00 O ATOM 659 CB ASP A 49 -10.870 5.696 12.485 1.00 0.00 C ATOM 660 CG ASP A 49 -12.346 5.318 12.610 1.00 0.00 C ATOM 661 OD1 ASP A 49 -12.661 4.379 13.389 1.00 0.00 O ATOM 662 OD2 ASP A 49 -13.183 5.982 11.941 1.00 0.00 O ATOM 0 H ASP A 49 -9.901 3.069 13.254 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.345 4.638 10.770 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.466 5.906 13.475 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.781 6.614 11.904 1.00 0.00 H new ATOM 667 N VAL A 50 -7.749 5.337 11.455 1.00 0.00 N ATOM 668 CA VAL A 50 -6.360 5.345 11.809 1.00 0.00 C ATOM 669 C VAL A 50 -5.660 6.532 11.239 1.00 0.00 C ATOM 670 O VAL A 50 -6.217 7.248 10.416 1.00 0.00 O ATOM 671 CB VAL A 50 -5.765 4.032 11.363 1.00 0.00 C ATOM 672 CG1 VAL A 50 -5.401 4.044 9.876 1.00 0.00 C ATOM 673 CG2 VAL A 50 -4.679 3.553 12.326 1.00 0.00 C ATOM 0 H VAL A 50 -7.973 5.751 10.550 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.237 5.438 12.888 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.527 3.255 11.426 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.976 3.080 9.598 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.297 4.230 9.284 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.671 4.831 9.687 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.273 2.605 11.974 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.881 4.295 12.373 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.107 3.418 13.319 1.00 0.00 H new ATOM 683 N LEU A 51 -4.403 6.784 11.679 1.00 0.00 N ATOM 684 CA LEU A 51 -3.542 7.851 11.193 1.00 0.00 C ATOM 685 C LEU A 51 -2.868 7.627 9.847 1.00 0.00 C ATOM 686 O LEU A 51 -2.746 6.528 9.314 1.00 0.00 O ATOM 687 CB LEU A 51 -2.530 8.277 12.299 1.00 0.00 C ATOM 688 CG LEU A 51 -3.070 9.179 13.437 1.00 0.00 C ATOM 689 CD1 LEU A 51 -3.326 10.578 12.878 1.00 0.00 C ATOM 690 CD2 LEU A 51 -4.325 8.671 14.167 1.00 0.00 C ATOM 0 H LEU A 51 -3.961 6.222 12.406 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.221 8.676 10.977 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.120 7.373 12.749 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.702 8.798 11.818 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.294 9.175 14.202 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.707 11.222 13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.395 10.991 12.490 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.060 10.520 12.074 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.609 9.384 14.941 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.143 8.564 13.454 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.114 7.704 14.624 1.00 0.00 H new ATOM 702 N GLY A 52 -2.519 8.769 9.199 1.00 0.00 N ATOM 703 CA GLY A 52 -2.219 8.911 7.782 1.00 0.00 C ATOM 704 C GLY A 52 -0.778 8.813 7.405 1.00 0.00 C ATOM 705 O GLY A 52 -0.369 8.938 6.258 1.00 0.00 O ATOM 0 H GLY A 52 -2.440 9.656 9.696 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.770 8.145 7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.597 9.876 7.446 1.00 0.00 H new ATOM 709 N LYS A 53 0.026 8.571 8.438 1.00 0.00 N ATOM 710 CA LYS A 53 1.444 8.270 8.434 1.00 0.00 C ATOM 711 C LYS A 53 1.555 6.782 8.858 1.00 0.00 C ATOM 712 O LYS A 53 2.602 6.336 9.311 1.00 0.00 O ATOM 713 CB LYS A 53 2.231 9.190 9.439 1.00 0.00 C ATOM 714 CG LYS A 53 1.512 9.697 10.720 1.00 0.00 C ATOM 715 CD LYS A 53 0.947 8.667 11.728 1.00 0.00 C ATOM 716 CE LYS A 53 1.947 7.751 12.459 1.00 0.00 C ATOM 717 NZ LYS A 53 2.892 8.526 13.291 1.00 0.00 N ATOM 0 H LYS A 53 -0.342 8.584 9.389 1.00 0.00 H new ATOM 0 HA LYS A 53 1.881 8.449 7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.121 8.646 9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.572 10.065 8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.214 10.333 11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.685 10.332 10.402 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.381 9.213 12.482 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.239 8.032 11.196 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.403 7.046 13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.503 7.163 11.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.549 7.876 13.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.429 9.181 12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.363 9.067 14.004 1.00 0.00 H new ATOM 731 N ASP A 54 0.434 6.009 8.776 1.00 0.00 N ATOM 732 CA ASP A 54 0.263 4.619 9.202 1.00 0.00 C ATOM 733 C ASP A 54 -0.469 3.846 8.115 1.00 0.00 C ATOM 734 O ASP A 54 0.143 3.082 7.367 1.00 0.00 O ATOM 735 CB ASP A 54 -0.506 4.502 10.561 1.00 0.00 C ATOM 736 CG ASP A 54 0.405 4.700 11.777 1.00 0.00 C ATOM 737 OD1 ASP A 54 1.645 4.529 11.652 1.00 0.00 O ATOM 738 OD2 ASP A 54 -0.155 5.003 12.866 1.00 0.00 O ATOM 0 H ASP A 54 -0.427 6.384 8.379 1.00 0.00 H new ATOM 0 HA ASP A 54 1.254 4.194 9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.305 5.243 10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.979 3.522 10.623 1.00 0.00 H new ATOM 743 N ILE A 55 -1.819 4.006 7.976 1.00 0.00 N ATOM 744 CA ILE A 55 -2.605 3.394 6.887 1.00 0.00 C ATOM 745 C ILE A 55 -3.087 4.557 6.045 1.00 0.00 C ATOM 746 O ILE A 55 -4.002 5.292 6.393 1.00 0.00 O ATOM 747 CB ILE A 55 -3.769 2.458 7.244 1.00 0.00 C ATOM 748 CG1 ILE A 55 -3.457 1.176 8.075 1.00 0.00 C ATOM 749 CG2 ILE A 55 -4.437 1.975 5.932 1.00 0.00 C ATOM 750 CD1 ILE A 55 -2.568 1.274 9.318 1.00 0.00 C ATOM 0 H ILE A 55 -2.381 4.563 8.620 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.941 2.694 6.381 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.392 3.078 7.889 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.411 0.752 8.390 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.995 0.455 7.400 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.266 1.309 6.170 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.810 2.835 5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.705 1.441 5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.461 0.287 9.767 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.586 1.652 9.034 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.024 1.953 10.039 1.00 0.00 H new ATOM 762 N LEU A 56 -2.387 4.765 4.924 1.00 0.00 N ATOM 763 CA LEU A 56 -2.452 5.986 4.166 1.00 0.00 C ATOM 764 C LEU A 56 -2.587 5.897 2.705 1.00 0.00 C ATOM 765 O LEU A 56 -2.142 4.889 2.148 1.00 0.00 O ATOM 766 CB LEU A 56 -1.197 6.761 4.535 1.00 0.00 C ATOM 767 CG LEU A 56 0.169 6.319 3.926 1.00 0.00 C ATOM 768 CD1 LEU A 56 0.557 4.829 3.848 1.00 0.00 C ATOM 769 CD2 LEU A 56 0.305 6.849 2.502 1.00 0.00 C ATOM 0 H LEU A 56 -1.755 4.070 4.526 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.391 6.468 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.360 7.803 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.099 6.732 5.620 1.00 0.00 H new ATOM 0 HG LEU A 56 0.842 6.741 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.543 4.733 3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.578 4.405 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.175 4.294 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.262 6.534 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.504 6.454 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.254 7.938 2.513 1.00 0.00 H new ATOM 781 N LEU A 57 -3.094 7.012 2.034 1.00 0.00 N ATOM 782 CA LEU A 57 -3.182 7.359 0.601 1.00 0.00 C ATOM 783 C LEU A 57 -1.857 7.235 -0.019 1.00 0.00 C ATOM 784 O LEU A 57 -0.950 8.007 0.132 1.00 0.00 O ATOM 785 CB LEU A 57 -3.644 8.847 0.332 1.00 0.00 C ATOM 786 CG LEU A 57 -2.745 10.102 0.562 1.00 0.00 C ATOM 787 CD1 LEU A 57 -3.507 11.417 0.336 1.00 0.00 C ATOM 788 CD2 LEU A 57 -2.126 10.045 1.950 1.00 0.00 C ATOM 0 H LEU A 57 -3.496 7.769 2.588 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.920 6.674 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.954 8.884 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.538 9.000 0.936 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.947 10.085 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.838 12.260 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.877 11.451 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.348 11.474 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.499 10.923 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.916 10.026 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.518 9.145 2.040 1.00 0.00 H new ATOM 800 N CYS A 58 -1.639 6.165 -0.708 1.00 0.00 N ATOM 801 CA CYS A 58 -0.380 5.813 -1.198 1.00 0.00 C ATOM 802 C CYS A 58 -0.752 5.714 -2.658 1.00 0.00 C ATOM 803 O CYS A 58 -1.907 5.783 -3.070 1.00 0.00 O ATOM 804 CB CYS A 58 -0.037 4.514 -0.423 1.00 0.00 C ATOM 805 SG CYS A 58 1.736 4.338 -0.110 1.00 0.00 S ATOM 0 H CYS A 58 -2.372 5.497 -0.946 1.00 0.00 H new ATOM 0 HA CYS A 58 0.507 6.436 -1.087 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.572 4.510 0.527 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.389 3.653 -0.991 1.00 0.00 H new ATOM 0 HG CYS A 58 2.384 4.401 -1.235 1.00 0.00 H new ATOM 811 N ASP A 59 0.223 5.485 -3.504 1.00 0.00 N ATOM 812 CA ASP A 59 0.028 5.043 -4.897 1.00 0.00 C ATOM 813 C ASP A 59 -0.484 3.540 -4.932 1.00 0.00 C ATOM 814 O ASP A 59 -1.461 3.291 -5.633 1.00 0.00 O ATOM 815 CB ASP A 59 1.269 5.381 -5.798 1.00 0.00 C ATOM 816 CG ASP A 59 1.666 6.852 -5.726 1.00 0.00 C ATOM 817 OD1 ASP A 59 0.789 7.699 -5.412 1.00 0.00 O ATOM 818 OD2 ASP A 59 2.837 7.134 -6.093 1.00 0.00 O ATOM 0 H ASP A 59 1.205 5.599 -3.253 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.772 5.618 -5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.114 4.765 -5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.044 5.120 -6.832 1.00 0.00 H new ATOM 823 N PRO A 60 0.046 2.517 -4.140 1.00 0.00 N ATOM 824 CA PRO A 60 1.042 2.632 -3.097 1.00 0.00 C ATOM 825 C PRO A 60 2.346 3.147 -3.494 1.00 0.00 C ATOM 826 O PRO A 60 2.663 4.195 -2.962 1.00 0.00 O ATOM 827 CB PRO A 60 1.153 1.324 -2.316 1.00 0.00 C ATOM 828 CG PRO A 60 0.408 0.351 -3.217 1.00 0.00 C ATOM 829 CD PRO A 60 -0.618 1.232 -3.962 1.00 0.00 C ATOM 0 HA PRO A 60 0.664 3.420 -2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.191 1.026 -2.165 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.695 1.398 -1.329 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.085 -0.146 -3.912 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.084 -0.430 -2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.892 0.793 -4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.537 1.339 -3.387 1.00 0.00 H new ATOM 837 N ILE A 61 3.151 2.510 -4.330 1.00 0.00 N ATOM 838 CA ILE A 61 4.498 2.997 -4.532 1.00 0.00 C ATOM 839 C ILE A 61 4.702 3.195 -5.991 1.00 0.00 C ATOM 840 O ILE A 61 3.921 2.625 -6.755 1.00 0.00 O ATOM 841 CB ILE A 61 5.429 2.052 -3.817 1.00 0.00 C ATOM 842 CG1 ILE A 61 5.217 2.311 -2.319 1.00 0.00 C ATOM 843 CG2 ILE A 61 6.948 2.214 -4.043 1.00 0.00 C ATOM 844 CD1 ILE A 61 5.828 3.573 -1.719 1.00 0.00 C ATOM 0 H ILE A 61 2.901 1.678 -4.864 1.00 0.00 H new ATOM 0 HA ILE A 61 4.706 3.976 -4.099 1.00 0.00 H new ATOM 0 HB ILE A 61 5.179 1.065 -4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.143 2.339 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.613 1.455 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.484 1.463 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.174 2.084 -5.101 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.259 3.209 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.595 3.620 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.910 3.553 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.417 4.450 -2.219 1.00 0.00 H new ATOM 856 N PRO A 62 5.695 3.995 -6.446 1.00 0.00 N ATOM 857 CA PRO A 62 5.845 4.465 -7.806 1.00 0.00 C ATOM 858 C PRO A 62 5.804 3.403 -8.907 1.00 0.00 C ATOM 859 O PRO A 62 6.772 2.672 -9.041 1.00 0.00 O ATOM 860 CB PRO A 62 7.371 4.825 -7.619 1.00 0.00 C ATOM 861 CG PRO A 62 7.608 5.356 -6.207 1.00 0.00 C ATOM 862 CD PRO A 62 6.288 5.027 -5.576 1.00 0.00 C ATOM 0 HA PRO A 62 5.085 5.184 -8.114 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.986 3.942 -7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.670 5.573 -8.354 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.442 4.860 -5.710 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.820 6.425 -6.195 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.418 4.658 -4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.649 5.908 -5.516 1.00 0.00 H new ATOM 870 N LEU A 63 4.686 3.272 -9.708 1.00 0.00 N ATOM 871 CA LEU A 63 4.334 2.304 -10.790 1.00 0.00 C ATOM 872 C LEU A 63 5.308 1.796 -11.837 1.00 0.00 C ATOM 873 O LEU A 63 4.955 1.315 -12.898 1.00 0.00 O ATOM 874 CB LEU A 63 2.866 2.368 -11.266 1.00 0.00 C ATOM 875 CG LEU A 63 2.405 3.494 -12.215 1.00 0.00 C ATOM 876 CD1 LEU A 63 2.696 4.899 -11.659 1.00 0.00 C ATOM 877 CD2 LEU A 63 2.875 3.292 -13.671 1.00 0.00 C ATOM 0 H LEU A 63 3.920 3.934 -9.584 1.00 0.00 H new ATOM 0 HA LEU A 63 4.509 1.452 -10.133 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.644 1.421 -11.757 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.240 2.420 -10.375 1.00 0.00 H new ATOM 0 HG LEU A 63 1.318 3.422 -12.260 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.350 5.650 -12.369 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.176 5.030 -10.710 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.769 5.014 -11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.518 4.118 -14.286 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.964 3.262 -13.701 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.475 2.354 -14.055 1.00 0.00 H new ATOM 889 N ASP A 64 6.568 2.020 -11.554 1.00 0.00 N ATOM 890 CA ASP A 64 7.784 1.801 -12.294 1.00 0.00 C ATOM 891 C ASP A 64 8.911 1.117 -11.521 1.00 0.00 C ATOM 892 O ASP A 64 10.015 0.980 -12.031 1.00 0.00 O ATOM 893 CB ASP A 64 8.297 3.278 -12.395 1.00 0.00 C ATOM 894 CG ASP A 64 7.770 3.936 -13.669 1.00 0.00 C ATOM 895 OD1 ASP A 64 8.186 3.497 -14.774 1.00 0.00 O ATOM 896 OD2 ASP A 64 6.945 4.882 -13.554 1.00 0.00 O ATOM 0 H ASP A 64 6.795 2.428 -10.647 1.00 0.00 H new ATOM 0 HA ASP A 64 7.579 1.200 -13.180 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.970 3.844 -11.523 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.387 3.293 -12.394 1.00 0.00 H new ATOM 901 N THR A 65 8.717 1.016 -10.192 1.00 0.00 N ATOM 902 CA THR A 65 9.706 0.932 -9.160 1.00 0.00 C ATOM 903 C THR A 65 9.644 -0.289 -8.404 1.00 0.00 C ATOM 904 O THR A 65 8.602 -0.847 -8.125 1.00 0.00 O ATOM 905 CB THR A 65 9.654 2.148 -8.229 1.00 0.00 C ATOM 906 OG1 THR A 65 9.677 3.308 -9.046 1.00 0.00 O ATOM 907 CG2 THR A 65 10.783 2.364 -7.200 1.00 0.00 C ATOM 0 H THR A 65 7.774 0.991 -9.805 1.00 0.00 H new ATOM 0 HA THR A 65 10.666 0.929 -9.676 1.00 0.00 H new ATOM 0 HB THR A 65 8.758 1.960 -7.637 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.852 4.096 -8.490 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.585 3.270 -6.627 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.828 1.510 -6.524 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.735 2.465 -7.721 1.00 0.00 H new ATOM 915 N GLU A 66 10.808 -0.574 -7.861 1.00 0.00 N ATOM 916 CA GLU A 66 11.244 -1.560 -6.915 1.00 0.00 C ATOM 917 C GLU A 66 10.494 -1.365 -5.610 1.00 0.00 C ATOM 918 O GLU A 66 10.422 -0.284 -5.018 1.00 0.00 O ATOM 919 CB GLU A 66 12.775 -1.447 -6.686 1.00 0.00 C ATOM 920 CG GLU A 66 13.454 -2.668 -6.024 1.00 0.00 C ATOM 921 CD GLU A 66 13.565 -3.839 -7.004 1.00 0.00 C ATOM 922 OE1 GLU A 66 14.045 -3.619 -8.149 1.00 0.00 O ATOM 923 OE2 GLU A 66 13.196 -4.978 -6.612 1.00 0.00 O ATOM 0 H GLU A 66 11.610 -0.006 -8.133 1.00 0.00 H new ATOM 0 HA GLU A 66 11.033 -2.556 -7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.254 -1.268 -7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.966 -0.570 -6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.447 -2.389 -5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.881 -2.976 -5.149 1.00 0.00 H new ATOM 930 N VAL A 67 9.887 -2.482 -5.209 1.00 0.00 N ATOM 931 CA VAL A 67 9.000 -2.759 -4.079 1.00 0.00 C ATOM 932 C VAL A 67 9.078 -4.220 -3.870 1.00 0.00 C ATOM 933 O VAL A 67 9.799 -4.947 -4.546 1.00 0.00 O ATOM 934 CB VAL A 67 7.562 -2.263 -3.990 1.00 0.00 C ATOM 935 CG1 VAL A 67 7.454 -1.377 -2.750 1.00 0.00 C ATOM 936 CG2 VAL A 67 7.186 -1.397 -5.179 1.00 0.00 C ATOM 0 H VAL A 67 10.028 -3.336 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 67 9.390 -2.110 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 67 6.904 -3.131 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.434 -1.004 -2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.710 -1.958 -1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.141 -0.535 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.153 -1.065 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.844 -0.529 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.291 -1.975 -6.097 1.00 0.00 H new ATOM 946 N THR A 68 8.420 -4.690 -2.801 1.00 0.00 N ATOM 947 CA THR A 68 8.512 -6.103 -2.445 1.00 0.00 C ATOM 948 C THR A 68 7.186 -6.818 -2.593 1.00 0.00 C ATOM 949 O THR A 68 6.104 -6.231 -2.578 1.00 0.00 O ATOM 950 CB THR A 68 9.202 -6.267 -1.099 1.00 0.00 C ATOM 951 OG1 THR A 68 9.537 -7.610 -0.763 1.00 0.00 O ATOM 952 CG2 THR A 68 8.264 -5.671 -0.066 1.00 0.00 C ATOM 0 H THR A 68 7.834 -4.126 -2.185 1.00 0.00 H new ATOM 0 HA THR A 68 9.153 -6.615 -3.162 1.00 0.00 H new ATOM 0 HB THR A 68 10.165 -5.758 -1.136 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.358 -7.764 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.709 -5.761 0.925 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.094 -4.619 -0.293 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.314 -6.205 -0.086 1.00 0.00 H new ATOM 960 N ALA A 69 7.271 -8.158 -2.733 1.00 0.00 N ATOM 961 CA ALA A 69 6.157 -9.066 -2.840 1.00 0.00 C ATOM 962 C ALA A 69 5.994 -9.758 -1.500 1.00 0.00 C ATOM 963 O ALA A 69 6.961 -10.090 -0.819 1.00 0.00 O ATOM 964 CB ALA A 69 6.415 -10.053 -3.982 1.00 0.00 C ATOM 0 H ALA A 69 8.170 -8.638 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 69 5.230 -8.543 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.574 -10.741 -4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.530 -9.505 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.326 -10.616 -3.777 1.00 0.00 H new ATOM 970 N LEU A 70 4.731 -9.953 -1.055 1.00 0.00 N ATOM 971 CA LEU A 70 4.444 -10.508 0.263 1.00 0.00 C ATOM 972 C LEU A 70 4.158 -11.989 0.249 1.00 0.00 C ATOM 973 O LEU A 70 3.157 -12.503 -0.242 1.00 0.00 O ATOM 974 CB LEU A 70 3.504 -9.651 1.147 1.00 0.00 C ATOM 975 CG LEU A 70 3.976 -9.423 2.622 1.00 0.00 C ATOM 976 CD1 LEU A 70 3.564 -10.514 3.604 1.00 0.00 C ATOM 977 CD2 LEU A 70 5.483 -9.173 2.823 1.00 0.00 C ATOM 0 H LEU A 70 3.900 -9.729 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 70 5.388 -10.432 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.376 -8.678 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.523 -10.126 1.169 1.00 0.00 H new ATOM 0 HG LEU A 70 3.440 -8.500 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.936 -10.268 4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.477 -10.587 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.984 -11.468 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.690 -9.029 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.046 -10.031 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.781 -8.281 2.271 1.00 0.00 H new ATOM 989 N SER A 71 5.162 -12.664 0.818 1.00 0.00 N ATOM 990 CA SER A 71 5.419 -14.037 1.139 1.00 0.00 C ATOM 991 C SER A 71 6.016 -13.768 2.508 1.00 0.00 C ATOM 992 O SER A 71 6.265 -12.601 2.808 1.00 0.00 O ATOM 993 CB SER A 71 6.383 -14.716 0.126 1.00 0.00 C ATOM 994 OG SER A 71 6.422 -16.130 0.311 1.00 0.00 O ATOM 0 H SER A 71 5.970 -12.118 1.117 1.00 0.00 H new ATOM 0 HA SER A 71 4.583 -14.737 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.063 -14.489 -0.891 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.385 -14.304 0.244 1.00 0.00 H new ATOM 0 HG SER A 71 7.035 -16.528 -0.341 1.00 0.00 H new ATOM 1063 N PHE A 76 10.429 -13.637 2.132 1.00 0.00 N ATOM 1064 CA PHE A 76 10.020 -12.870 0.934 1.00 0.00 C ATOM 1065 C PHE A 76 11.127 -12.306 0.003 1.00 0.00 C ATOM 1066 O PHE A 76 12.307 -12.249 0.339 1.00 0.00 O ATOM 1067 CB PHE A 76 9.087 -11.670 1.334 1.00 0.00 C ATOM 1068 CG PHE A 76 9.666 -10.475 2.084 1.00 0.00 C ATOM 1069 CD1 PHE A 76 10.844 -10.496 2.819 1.00 0.00 C ATOM 1070 CD2 PHE A 76 8.959 -9.285 2.026 1.00 0.00 C ATOM 1071 CE1 PHE A 76 11.323 -9.349 3.413 1.00 0.00 C ATOM 1072 CE2 PHE A 76 9.425 -8.139 2.634 1.00 0.00 C ATOM 1073 CZ PHE A 76 10.623 -8.169 3.308 1.00 0.00 C ATOM 0 HA PHE A 76 9.519 -13.640 0.347 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.635 -11.290 0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.279 -12.076 1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.390 -11.421 2.926 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.021 -9.254 1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.252 -9.376 3.963 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.853 -7.224 2.581 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.014 -7.267 3.755 1.00 0.00 H new ATOM 1083 N SER A 77 10.748 -11.912 -1.238 1.00 0.00 N ATOM 1084 CA SER A 77 11.700 -11.493 -2.267 1.00 0.00 C ATOM 1085 C SER A 77 11.140 -10.312 -3.035 1.00 0.00 C ATOM 1086 O SER A 77 9.923 -10.165 -3.167 1.00 0.00 O ATOM 1087 CB SER A 77 12.037 -12.660 -3.251 1.00 0.00 C ATOM 1088 OG SER A 77 12.763 -13.702 -2.594 1.00 0.00 O ATOM 0 H SER A 77 9.775 -11.880 -1.541 1.00 0.00 H new ATOM 0 HA SER A 77 12.625 -11.201 -1.769 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.115 -13.064 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.623 -12.276 -4.086 1.00 0.00 H new ATOM 0 HG SER A 77 12.958 -14.418 -3.234 1.00 0.00 H new ATOM 1094 N ALA A 78 12.042 -9.434 -3.562 1.00 0.00 N ATOM 1095 CA ALA A 78 11.710 -8.226 -4.300 1.00 0.00 C ATOM 1096 C ALA A 78 11.331 -8.379 -5.779 1.00 0.00 C ATOM 1097 O ALA A 78 11.599 -9.380 -6.447 1.00 0.00 O ATOM 1098 CB ALA A 78 12.779 -7.123 -4.095 1.00 0.00 C ATOM 0 H ALA A 78 13.048 -9.573 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 78 10.768 -7.919 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.498 -6.235 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.845 -6.873 -3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.746 -7.485 -4.443 1.00 0.00 H new ATOM 1104 N GLY A 79 10.656 -7.309 -6.263 1.00 0.00 N ATOM 1105 CA GLY A 79 10.134 -7.103 -7.598 1.00 0.00 C ATOM 1106 C GLY A 79 9.901 -5.660 -7.834 1.00 0.00 C ATOM 1107 O GLY A 79 10.367 -4.777 -7.125 1.00 0.00 O ATOM 0 H GLY A 79 10.456 -6.510 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.836 -7.492 -8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.202 -7.655 -7.722 1.00 0.00 H new ATOM 1111 N VAL A 80 9.177 -5.365 -8.913 1.00 0.00 N ATOM 1112 CA VAL A 80 8.901 -4.016 -9.338 1.00 0.00 C ATOM 1113 C VAL A 80 7.442 -3.891 -9.547 1.00 0.00 C ATOM 1114 O VAL A 80 6.851 -4.770 -10.148 1.00 0.00 O ATOM 1115 CB VAL A 80 9.663 -3.786 -10.648 1.00 0.00 C ATOM 1116 CG1 VAL A 80 9.135 -2.659 -11.571 1.00 0.00 C ATOM 1117 CG2 VAL A 80 11.077 -3.438 -10.191 1.00 0.00 C ATOM 0 H VAL A 80 8.765 -6.076 -9.518 1.00 0.00 H new ATOM 0 HA VAL A 80 9.214 -3.277 -8.600 1.00 0.00 H new ATOM 0 HB VAL A 80 9.565 -4.678 -11.267 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.758 -2.597 -12.463 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.107 -2.878 -11.861 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.167 -1.708 -11.039 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.706 -3.254 -11.062 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.048 -2.544 -9.569 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.488 -4.268 -9.616 1.00 0.00 H new ATOM 1127 N VAL A 81 6.834 -2.742 -9.148 1.00 0.00 N ATOM 1128 CA VAL A 81 5.477 -2.380 -9.563 1.00 0.00 C ATOM 1129 C VAL A 81 5.599 -1.769 -10.945 1.00 0.00 C ATOM 1130 O VAL A 81 6.467 -0.904 -11.119 1.00 0.00 O ATOM 1131 CB VAL A 81 4.723 -1.368 -8.689 1.00 0.00 C ATOM 1132 CG1 VAL A 81 4.635 -1.933 -7.300 1.00 0.00 C ATOM 1133 CG2 VAL A 81 5.398 -0.003 -8.464 1.00 0.00 C ATOM 0 H VAL A 81 7.276 -2.056 -8.536 1.00 0.00 H new ATOM 0 HA VAL A 81 4.895 -3.299 -9.497 1.00 0.00 H new ATOM 0 HB VAL A 81 3.789 -1.209 -9.227 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.103 -1.233 -6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.099 -2.882 -7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.639 -2.095 -6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.763 0.617 -7.831 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.362 -0.150 -7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.547 0.492 -9.424 1.00 0.00 H new ATOM 1143 N LYS A 82 4.782 -2.240 -11.929 1.00 0.00 N ATOM 1144 CA LYS A 82 4.865 -1.724 -13.301 1.00 0.00 C ATOM 1145 C LYS A 82 3.547 -1.230 -13.879 1.00 0.00 C ATOM 1146 O LYS A 82 3.475 -0.806 -15.036 1.00 0.00 O ATOM 1147 CB LYS A 82 5.525 -2.691 -14.320 1.00 0.00 C ATOM 1148 CG LYS A 82 4.782 -4.021 -14.562 1.00 0.00 C ATOM 1149 CD LYS A 82 5.439 -4.855 -15.673 1.00 0.00 C ATOM 1150 CE LYS A 82 4.801 -6.237 -15.882 1.00 0.00 C ATOM 1151 NZ LYS A 82 3.415 -6.126 -16.393 1.00 0.00 N ATOM 0 H LYS A 82 4.075 -2.962 -11.789 1.00 0.00 H new ATOM 0 HA LYS A 82 5.523 -0.865 -13.166 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.622 -2.172 -15.274 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.534 -2.918 -13.976 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.763 -4.599 -13.638 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.746 -3.814 -14.829 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.388 -4.298 -16.609 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.495 -4.986 -15.437 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.403 -6.814 -16.584 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.799 -6.784 -14.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.200 -6.946 -16.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.751 -6.100 -15.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.319 -5.253 -16.951 1.00 0.00 H new ATOM 1165 N GLY A 83 2.450 -1.286 -13.093 1.00 0.00 N ATOM 1166 CA GLY A 83 1.129 -0.872 -13.558 1.00 0.00 C ATOM 1167 C GLY A 83 0.091 -1.384 -12.603 1.00 0.00 C ATOM 1168 O GLY A 83 0.292 -2.386 -11.920 1.00 0.00 O ATOM 0 H GLY A 83 2.465 -1.618 -12.129 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.077 0.215 -13.623 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.944 -1.261 -14.559 1.00 0.00 H new ATOM 1172 N HIS A 84 -1.066 -0.695 -12.471 1.00 0.00 N ATOM 1173 CA HIS A 84 -2.126 -1.123 -11.569 1.00 0.00 C ATOM 1174 C HIS A 84 -3.524 -0.725 -11.945 1.00 0.00 C ATOM 1175 O HIS A 84 -3.724 0.133 -12.805 1.00 0.00 O ATOM 1176 CB HIS A 84 -1.830 -0.656 -10.148 1.00 0.00 C ATOM 1177 CG HIS A 84 -1.321 0.760 -10.033 1.00 0.00 C ATOM 1178 ND1 HIS A 84 -2.035 1.949 -10.076 1.00 0.00 N ATOM 1179 CD2 HIS A 84 -0.042 1.110 -9.748 1.00 0.00 C ATOM 1180 CE1 HIS A 84 -1.147 2.941 -9.791 1.00 0.00 C ATOM 1181 NE2 HIS A 84 0.050 2.470 -9.564 1.00 0.00 N ATOM 0 H HIS A 84 -1.276 0.160 -12.985 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.115 -2.210 -11.647 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.740 -0.748 -9.555 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.093 -1.328 -9.707 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.028 2.058 -10.281 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.786 0.420 -9.676 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.401 3.990 -9.757 1.00 0.00 H new ATOM 1302 N TYR A 92 -6.112 -5.141 -8.595 1.00 0.00 N ATOM 1303 CA TYR A 92 -4.846 -5.818 -8.839 1.00 0.00 C ATOM 1304 C TYR A 92 -3.726 -4.854 -9.146 1.00 0.00 C ATOM 1305 O TYR A 92 -3.838 -3.952 -9.975 1.00 0.00 O ATOM 1306 CB TYR A 92 -4.892 -7.130 -9.724 1.00 0.00 C ATOM 1307 CG TYR A 92 -5.890 -7.209 -10.871 1.00 0.00 C ATOM 1308 CD1 TYR A 92 -7.202 -7.615 -10.649 1.00 0.00 C ATOM 1309 CD2 TYR A 92 -5.490 -7.057 -12.190 1.00 0.00 C ATOM 1310 CE1 TYR A 92 -8.074 -7.844 -11.696 1.00 0.00 C ATOM 1311 CE2 TYR A 92 -6.346 -7.326 -13.242 1.00 0.00 C ATOM 1312 CZ TYR A 92 -7.640 -7.725 -12.994 1.00 0.00 C ATOM 1313 OH TYR A 92 -8.533 -7.998 -14.051 1.00 0.00 O ATOM 0 HA TYR A 92 -4.593 -6.263 -7.877 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.897 -7.281 -10.142 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.088 -7.970 -9.058 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.547 -7.754 -9.635 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.486 -6.720 -12.401 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.099 -8.117 -11.494 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.999 -7.223 -14.260 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.075 -7.867 -14.908 1.00 0.00 H new ATOM 1323 N TYR A 93 -2.575 -5.076 -8.469 1.00 0.00 N ATOM 1324 CA TYR A 93 -1.304 -4.416 -8.643 1.00 0.00 C ATOM 1325 C TYR A 93 -0.421 -5.410 -9.384 1.00 0.00 C ATOM 1326 O TYR A 93 -0.508 -6.617 -9.144 1.00 0.00 O ATOM 1327 CB TYR A 93 -0.719 -4.030 -7.256 1.00 0.00 C ATOM 1328 CG TYR A 93 -0.369 -2.580 -7.172 1.00 0.00 C ATOM 1329 CD1 TYR A 93 -1.380 -1.641 -7.266 1.00 0.00 C ATOM 1330 CD2 TYR A 93 0.935 -2.156 -6.978 1.00 0.00 C ATOM 1331 CE1 TYR A 93 -1.074 -0.291 -7.164 1.00 0.00 C ATOM 1332 CE2 TYR A 93 1.239 -0.818 -6.954 1.00 0.00 C ATOM 1333 CZ TYR A 93 0.245 0.117 -7.038 1.00 0.00 C ATOM 1334 OH TYR A 93 0.642 1.474 -7.068 1.00 0.00 O ATOM 0 H TYR A 93 -2.531 -5.781 -7.734 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.385 -3.488 -9.209 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.443 -4.272 -6.478 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.171 -4.628 -7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.402 -1.956 -7.418 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.720 -2.885 -6.844 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.866 0.444 -7.183 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.268 -0.502 -6.868 1.00 0.00 H new ATOM 0 HH TYR A 93 0.042 1.977 -7.657 1.00 0.00 H new ATOM 1344 N SER A 94 0.441 -4.927 -10.324 1.00 0.00 N ATOM 1345 CA SER A 94 1.347 -5.726 -11.150 1.00 0.00 C ATOM 1346 C SER A 94 2.761 -5.609 -10.637 1.00 0.00 C ATOM 1347 O SER A 94 3.298 -4.503 -10.559 1.00 0.00 O ATOM 1348 CB SER A 94 1.370 -5.193 -12.606 1.00 0.00 C ATOM 1349 OG SER A 94 2.003 -6.092 -13.520 1.00 0.00 O ATOM 0 H SER A 94 0.514 -3.929 -10.522 1.00 0.00 H new ATOM 0 HA SER A 94 0.992 -6.756 -11.113 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.348 -5.009 -12.936 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.890 -4.235 -12.628 1.00 0.00 H new ATOM 0 HG SER A 94 1.340 -6.723 -13.870 1.00 0.00 H new ATOM 1355 N ILE A 95 3.360 -6.778 -10.297 1.00 0.00 N ATOM 1356 CA ILE A 95 4.650 -6.944 -9.685 1.00 0.00 C ATOM 1357 C ILE A 95 5.434 -7.740 -10.692 1.00 0.00 C ATOM 1358 O ILE A 95 5.121 -8.903 -10.944 1.00 0.00 O ATOM 1359 CB ILE A 95 4.641 -7.683 -8.328 1.00 0.00 C ATOM 1360 CG1 ILE A 95 3.521 -7.212 -7.386 1.00 0.00 C ATOM 1361 CG2 ILE A 95 5.965 -7.395 -7.587 1.00 0.00 C ATOM 1362 CD1 ILE A 95 2.126 -7.726 -7.736 1.00 0.00 C ATOM 0 H ILE A 95 2.902 -7.674 -10.465 1.00 0.00 H new ATOM 0 HA ILE A 95 5.069 -5.966 -9.447 1.00 0.00 H new ATOM 0 HB ILE A 95 4.495 -8.738 -8.561 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.764 -7.527 -6.371 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.501 -6.122 -7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.966 -7.913 -6.628 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.803 -7.746 -8.190 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.062 -6.322 -7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.405 -7.340 -7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.855 -7.389 -8.737 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.122 -8.816 -7.706 1.00 0.00 H new ATOM 1374 N GLU A 96 6.489 -7.148 -11.307 1.00 0.00 N ATOM 1375 CA GLU A 96 7.406 -7.843 -12.220 1.00 0.00 C ATOM 1376 C GLU A 96 8.501 -8.444 -11.347 1.00 0.00 C ATOM 1377 O GLU A 96 9.195 -7.735 -10.616 1.00 0.00 O ATOM 1378 CB GLU A 96 7.918 -6.943 -13.367 1.00 0.00 C ATOM 1379 CG GLU A 96 8.870 -7.660 -14.347 1.00 0.00 C ATOM 1380 CD GLU A 96 9.239 -6.728 -15.500 1.00 0.00 C ATOM 1381 OE1 GLU A 96 8.375 -6.515 -16.391 1.00 0.00 O ATOM 1382 OE2 GLU A 96 10.394 -6.223 -15.508 1.00 0.00 O ATOM 0 H GLU A 96 6.722 -6.164 -11.175 1.00 0.00 H new ATOM 0 HA GLU A 96 6.895 -8.638 -12.763 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.063 -6.558 -13.923 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.433 -6.083 -12.939 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.772 -7.977 -13.823 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.394 -8.560 -14.735 1.00 0.00 H new ATOM 1389 N LYS A 97 8.534 -9.795 -11.275 1.00 0.00 N ATOM 1390 CA LYS A 97 9.195 -10.466 -10.174 1.00 0.00 C ATOM 1391 C LYS A 97 9.880 -11.741 -10.583 1.00 0.00 C ATOM 1392 O LYS A 97 9.283 -12.603 -11.225 1.00 0.00 O ATOM 1393 CB LYS A 97 8.045 -10.841 -9.218 1.00 0.00 C ATOM 1394 CG LYS A 97 8.401 -11.367 -7.823 1.00 0.00 C ATOM 1395 CD LYS A 97 7.136 -11.618 -7.005 1.00 0.00 C ATOM 1396 CE LYS A 97 7.279 -12.764 -5.990 1.00 0.00 C ATOM 1397 NZ LYS A 97 8.424 -12.553 -5.073 1.00 0.00 N ATOM 0 H LYS A 97 8.112 -10.418 -11.964 1.00 0.00 H new ATOM 0 HA LYS A 97 9.964 -9.820 -9.750 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.418 -9.959 -9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.435 -11.597 -9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.973 -12.291 -7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.037 -10.647 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.869 -10.704 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.313 -11.845 -7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.361 -12.851 -5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.410 -13.706 -6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.156 -12.843 -4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.234 -13.121 -5.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.686 -11.547 -5.071 1.00 0.00 H new ATOM 1411 N GLU A 98 11.179 -11.916 -10.221 1.00 0.00 N ATOM 1412 CA GLU A 98 12.013 -13.102 -10.489 1.00 0.00 C ATOM 1413 C GLU A 98 12.307 -13.369 -11.979 1.00 0.00 C ATOM 1414 O GLU A 98 12.976 -14.330 -12.348 1.00 0.00 O ATOM 1415 CB GLU A 98 11.478 -14.382 -9.757 1.00 0.00 C ATOM 1416 CG GLU A 98 12.055 -14.595 -8.338 1.00 0.00 C ATOM 1417 CD GLU A 98 11.476 -13.636 -7.296 1.00 0.00 C ATOM 1418 OE1 GLU A 98 11.873 -12.440 -7.283 1.00 0.00 O ATOM 1419 OE2 GLU A 98 10.641 -14.104 -6.478 1.00 0.00 O ATOM 0 H GLU A 98 11.690 -11.196 -9.711 1.00 0.00 H new ATOM 0 HA GLU A 98 12.983 -12.852 -10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.392 -14.319 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.709 -15.257 -10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.860 -15.621 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.138 -14.472 -8.372 1.00 0.00 H new ATOM 1426 N GLY A 99 11.834 -12.447 -12.849 1.00 0.00 N ATOM 1427 CA GLY A 99 12.037 -12.422 -14.293 1.00 0.00 C ATOM 1428 C GLY A 99 10.737 -12.484 -15.040 1.00 0.00 C ATOM 1429 O GLY A 99 10.700 -12.271 -16.245 1.00 0.00 O ATOM 0 H GLY A 99 11.269 -11.660 -12.530 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.572 -11.513 -14.569 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.665 -13.263 -14.586 1.00 0.00 H new ATOM 1433 N GLN A 100 9.623 -12.780 -14.330 1.00 0.00 N ATOM 1434 CA GLN A 100 8.277 -12.909 -14.871 1.00 0.00 C ATOM 1435 C GLN A 100 7.285 -12.084 -14.107 1.00 0.00 C ATOM 1436 O GLN A 100 7.598 -11.490 -13.086 1.00 0.00 O ATOM 1437 CB GLN A 100 7.843 -14.395 -15.061 1.00 0.00 C ATOM 1438 CG GLN A 100 7.963 -15.352 -13.841 1.00 0.00 C ATOM 1439 CD GLN A 100 6.843 -15.213 -12.802 1.00 0.00 C ATOM 1440 OE1 GLN A 100 5.761 -15.796 -12.909 1.00 0.00 O ATOM 1441 NE2 GLN A 100 7.129 -14.409 -11.746 1.00 0.00 N ATOM 0 H GLN A 100 9.654 -12.940 -13.323 1.00 0.00 H new ATOM 0 HA GLN A 100 8.298 -12.492 -15.878 1.00 0.00 H new ATOM 0 HB2 GLN A 100 6.803 -14.400 -15.388 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.435 -14.815 -15.874 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.978 -16.380 -14.203 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.919 -15.173 -13.350 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.034 -13.943 -11.691 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.438 -14.271 -11.008 1.00 0.00 H new ATOM 1450 N ARG A 101 6.035 -11.961 -14.597 1.00 0.00 N ATOM 1451 CA ARG A 101 5.003 -11.148 -13.968 1.00 0.00 C ATOM 1452 C ARG A 101 4.089 -11.895 -13.013 1.00 0.00 C ATOM 1453 O ARG A 101 3.679 -13.027 -13.255 1.00 0.00 O ATOM 1454 CB ARG A 101 4.258 -10.242 -14.995 1.00 0.00 C ATOM 1455 CG ARG A 101 3.870 -10.857 -16.364 1.00 0.00 C ATOM 1456 CD ARG A 101 2.981 -12.115 -16.367 1.00 0.00 C ATOM 1457 NE ARG A 101 1.688 -11.820 -15.656 1.00 0.00 N ATOM 1458 CZ ARG A 101 0.776 -12.789 -15.329 1.00 0.00 C ATOM 1459 NH1 ARG A 101 0.979 -14.091 -15.684 1.00 0.00 N ATOM 1460 NH2 ARG A 101 -0.346 -12.446 -14.631 1.00 0.00 N ATOM 0 H ARG A 101 5.722 -12.431 -15.447 1.00 0.00 H new ATOM 0 HA ARG A 101 5.539 -10.471 -13.302 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.345 -9.881 -14.521 1.00 0.00 H new ATOM 0 HB3 ARG A 101 4.884 -9.370 -15.186 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.361 -10.087 -16.943 1.00 0.00 H new ATOM 0 HG3 ARG A 101 4.791 -11.098 -16.895 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.781 -12.429 -17.391 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.498 -12.939 -15.876 1.00 0.00 H new ATOM 0 HE ARG A 101 1.481 -10.853 -15.406 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.819 -14.354 -16.200 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.291 -14.801 -15.433 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.500 -11.475 -14.358 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.031 -13.160 -14.383 1.00 0.00 H new ATOM 1474 N LYS A 102 3.749 -11.218 -11.882 1.00 0.00 N ATOM 1475 CA LYS A 102 2.806 -11.705 -10.880 1.00 0.00 C ATOM 1476 C LYS A 102 1.807 -10.576 -10.694 1.00 0.00 C ATOM 1477 O LYS A 102 2.186 -9.415 -10.556 1.00 0.00 O ATOM 1478 CB LYS A 102 3.523 -12.156 -9.568 1.00 0.00 C ATOM 1479 CG LYS A 102 4.042 -13.606 -9.730 1.00 0.00 C ATOM 1480 CD LYS A 102 5.229 -14.019 -8.847 1.00 0.00 C ATOM 1481 CE LYS A 102 5.475 -15.535 -8.876 1.00 0.00 C ATOM 1482 NZ LYS A 102 6.673 -15.897 -8.083 1.00 0.00 N ATOM 0 H LYS A 102 4.139 -10.304 -11.653 1.00 0.00 H new ATOM 0 HA LYS A 102 2.291 -12.612 -11.198 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.353 -11.485 -9.346 1.00 0.00 H new ATOM 0 HB3 LYS A 102 2.833 -12.098 -8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.215 -14.287 -9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.327 -13.750 -10.772 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.127 -13.501 -9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.043 -13.702 -7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.603 -16.056 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.604 -15.866 -9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.816 -16.927 -8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.508 -15.418 -8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.538 -15.601 -7.095 1.00 0.00 H new ATOM 1496 N TRP A 103 0.485 -10.861 -10.725 1.00 0.00 N ATOM 1497 CA TRP A 103 -0.558 -9.840 -10.600 1.00 0.00 C ATOM 1498 C TRP A 103 -1.467 -10.233 -9.437 1.00 0.00 C ATOM 1499 O TRP A 103 -2.190 -11.227 -9.503 1.00 0.00 O ATOM 1500 CB TRP A 103 -1.333 -9.676 -11.942 1.00 0.00 C ATOM 1501 CG TRP A 103 -0.718 -8.733 -12.986 1.00 0.00 C ATOM 1502 CD1 TRP A 103 0.175 -8.975 -13.995 1.00 0.00 C ATOM 1503 CD2 TRP A 103 -1.200 -7.394 -13.206 1.00 0.00 C ATOM 1504 NE1 TRP A 103 0.195 -7.909 -14.881 1.00 0.00 N ATOM 1505 CE2 TRP A 103 -0.708 -6.967 -14.436 1.00 0.00 C ATOM 1506 CE3 TRP A 103 -2.013 -6.596 -12.462 1.00 0.00 C ATOM 1507 CZ2 TRP A 103 -1.099 -5.772 -14.969 1.00 0.00 C ATOM 1508 CZ3 TRP A 103 -2.359 -5.358 -12.971 1.00 0.00 C ATOM 1509 CH2 TRP A 103 -1.937 -4.963 -14.225 1.00 0.00 C ATOM 0 H TRP A 103 0.121 -11.807 -10.838 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.121 -8.864 -10.387 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -1.439 -10.662 -12.395 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -2.338 -9.320 -11.713 1.00 0.00 H new ATOM 0 HD1 TRP A 103 0.777 -9.867 -14.087 1.00 0.00 H new ATOM 0 HE1 TRP A 103 0.776 -7.835 -15.716 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -2.378 -6.921 -11.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -0.762 -5.466 -15.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -2.968 -4.690 -12.379 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.264 -4.015 -14.627 1.00 0.00 H new ATOM 1520 N TYR A 104 -1.387 -9.454 -8.326 1.00 0.00 N ATOM 1521 CA TYR A 104 -2.083 -9.678 -7.057 1.00 0.00 C ATOM 1522 C TYR A 104 -2.808 -8.444 -6.581 1.00 0.00 C ATOM 1523 O TYR A 104 -2.299 -7.347 -6.777 1.00 0.00 O ATOM 1524 CB TYR A 104 -1.164 -10.123 -5.873 1.00 0.00 C ATOM 1525 CG TYR A 104 -0.017 -11.035 -6.240 1.00 0.00 C ATOM 1526 CD1 TYR A 104 -0.231 -12.372 -6.526 1.00 0.00 C ATOM 1527 CD2 TYR A 104 1.284 -10.596 -6.056 1.00 0.00 C ATOM 1528 CE1 TYR A 104 0.825 -13.270 -6.509 1.00 0.00 C ATOM 1529 CE2 TYR A 104 2.337 -11.486 -6.027 1.00 0.00 C ATOM 1530 CZ TYR A 104 2.093 -12.829 -6.199 1.00 0.00 C ATOM 1531 OH TYR A 104 3.128 -13.760 -5.985 1.00 0.00 O ATOM 0 H TYR A 104 -0.805 -8.617 -8.303 1.00 0.00 H new ATOM 0 HA TYR A 104 -2.770 -10.488 -7.301 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -0.757 -9.230 -5.398 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -1.780 -10.627 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -1.226 -12.718 -6.764 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.477 -9.540 -5.933 1.00 0.00 H new ATOM 0 HE1 TYR A 104 0.654 -14.312 -6.738 1.00 0.00 H new ATOM 0 HE2 TYR A 104 3.345 -11.132 -5.871 1.00 0.00 H new ATOM 0 HH TYR A 104 3.959 -13.284 -5.777 1.00 0.00 H new ATOM 1541 N LYS A 105 -3.927 -8.571 -5.784 1.00 0.00 N ATOM 1542 CA LYS A 105 -4.533 -7.531 -4.965 1.00 0.00 C ATOM 1543 C LYS A 105 -3.534 -7.028 -3.924 1.00 0.00 C ATOM 1544 O LYS A 105 -2.565 -7.730 -3.633 1.00 0.00 O ATOM 1545 CB LYS A 105 -5.754 -8.113 -4.172 1.00 0.00 C ATOM 1546 CG LYS A 105 -6.673 -9.042 -4.985 1.00 0.00 C ATOM 1547 CD LYS A 105 -8.152 -8.901 -4.585 1.00 0.00 C ATOM 1548 CE LYS A 105 -9.102 -9.583 -5.580 1.00 0.00 C ATOM 1549 NZ LYS A 105 -10.518 -9.364 -5.203 1.00 0.00 N ATOM 0 H LYS A 105 -4.431 -9.455 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.843 -6.725 -5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.379 -8.662 -3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.348 -7.283 -3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.564 -8.819 -6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.358 -10.076 -4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.299 -9.332 -3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.406 -7.843 -4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.925 -9.193 -6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.893 -10.652 -5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.138 -9.836 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.690 -9.758 -4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.722 -8.344 -5.196 1.00 0.00 H new ATOM 1563 N ARG A 106 -3.750 -5.836 -3.322 1.00 0.00 N ATOM 1564 CA ARG A 106 -2.901 -5.145 -2.320 1.00 0.00 C ATOM 1565 C ARG A 106 -2.076 -5.998 -1.319 1.00 0.00 C ATOM 1566 O ARG A 106 -0.924 -5.708 -1.008 1.00 0.00 O ATOM 1567 CB ARG A 106 -3.796 -4.109 -1.556 1.00 0.00 C ATOM 1568 CG ARG A 106 -3.081 -2.916 -0.877 1.00 0.00 C ATOM 1569 CD ARG A 106 -2.217 -2.019 -1.783 1.00 0.00 C ATOM 1570 NE ARG A 106 -3.077 -1.164 -2.679 1.00 0.00 N ATOM 1571 CZ ARG A 106 -3.246 -1.396 -4.018 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -2.790 -2.545 -4.593 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -3.885 -0.468 -4.788 1.00 0.00 N ATOM 0 H ARG A 106 -4.584 -5.290 -3.539 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.109 -4.686 -2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.525 -3.708 -2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.355 -4.647 -0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.838 -2.291 -0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.447 -3.308 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.581 -1.382 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.557 -2.638 -2.390 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.560 -0.367 -2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.315 -3.246 -4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.924 -2.703 -5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.234 0.392 -4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.014 -0.635 -5.786 1.00 0.00 H new ATOM 1587 N MET A 107 -2.645 -7.162 -0.885 1.00 0.00 N ATOM 1588 CA MET A 107 -2.157 -8.211 0.002 1.00 0.00 C ATOM 1589 C MET A 107 -0.839 -8.871 -0.367 1.00 0.00 C ATOM 1590 O MET A 107 -0.101 -9.245 0.543 1.00 0.00 O ATOM 1591 CB MET A 107 -3.270 -9.257 0.345 1.00 0.00 C ATOM 1592 CG MET A 107 -4.031 -9.906 -0.849 1.00 0.00 C ATOM 1593 SD MET A 107 -3.136 -10.949 -2.058 1.00 0.00 S ATOM 1594 CE MET A 107 -2.777 -12.391 -1.008 1.00 0.00 C ATOM 0 H MET A 107 -3.584 -7.397 -1.206 1.00 0.00 H new ATOM 0 HA MET A 107 -1.901 -7.662 0.908 1.00 0.00 H new ATOM 0 HB2 MET A 107 -2.814 -10.056 0.929 1.00 0.00 H new ATOM 0 HB3 MET A 107 -4.003 -8.771 0.989 1.00 0.00 H new ATOM 0 HG2 MET A 107 -4.832 -10.514 -0.429 1.00 0.00 H new ATOM 0 HG3 MET A 107 -4.504 -9.098 -1.408 1.00 0.00 H new ATOM 0 HE1 MET A 107 -2.230 -13.135 -1.587 1.00 0.00 H new ATOM 0 HE2 MET A 107 -2.174 -12.079 -0.155 1.00 0.00 H new ATOM 0 HE3 MET A 107 -3.712 -12.824 -0.652 1.00 0.00 H new ATOM 1604 N ALA A 108 -0.469 -8.998 -1.679 1.00 0.00 N ATOM 1605 CA ALA A 108 0.850 -9.586 -1.989 1.00 0.00 C ATOM 1606 C ALA A 108 1.841 -8.631 -2.606 1.00 0.00 C ATOM 1607 O ALA A 108 2.870 -9.053 -3.124 1.00 0.00 O ATOM 1608 CB ALA A 108 0.754 -10.914 -2.791 1.00 0.00 C ATOM 0 H ALA A 108 -1.031 -8.718 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 108 1.258 -9.829 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.757 -11.294 -2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.194 -11.649 -2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.244 -10.732 -3.737 1.00 0.00 H new ATOM 1614 N VAL A 109 1.554 -7.322 -2.574 1.00 0.00 N ATOM 1615 CA VAL A 109 2.394 -6.237 -3.027 1.00 0.00 C ATOM 1616 C VAL A 109 2.553 -5.222 -1.907 1.00 0.00 C ATOM 1617 O VAL A 109 1.643 -4.465 -1.559 1.00 0.00 O ATOM 1618 CB VAL A 109 1.946 -5.763 -4.391 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.501 -5.236 -4.351 1.00 0.00 C ATOM 1620 CG2 VAL A 109 2.966 -4.812 -5.036 1.00 0.00 C ATOM 0 H VAL A 109 0.665 -6.985 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 109 3.421 -6.543 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 109 1.918 -6.620 -5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.208 -4.903 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.168 -6.032 -4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.438 -4.400 -3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.602 -4.497 -6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.100 -3.937 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.920 -5.326 -5.152 1.00 0.00 H new ATOM 1630 N ILE A 110 3.731 -5.203 -1.261 1.00 0.00 N ATOM 1631 CA ILE A 110 4.004 -4.337 -0.112 1.00 0.00 C ATOM 1632 C ILE A 110 5.288 -3.519 -0.271 1.00 0.00 C ATOM 1633 O ILE A 110 5.889 -3.465 -1.345 1.00 0.00 O ATOM 1634 CB ILE A 110 3.900 -5.052 1.216 1.00 0.00 C ATOM 1635 CG1 ILE A 110 5.000 -6.078 1.510 1.00 0.00 C ATOM 1636 CG2 ILE A 110 2.494 -5.689 1.386 1.00 0.00 C ATOM 1637 CD1 ILE A 110 6.123 -5.597 2.436 1.00 0.00 C ATOM 0 H ILE A 110 4.521 -5.792 -1.526 1.00 0.00 H new ATOM 0 HA ILE A 110 3.197 -3.604 -0.098 1.00 0.00 H new ATOM 0 HB ILE A 110 4.053 -4.270 1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.540 -6.960 1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.442 -6.391 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.439 -6.199 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.734 -4.909 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.321 -6.407 0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.847 -6.400 2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.619 -4.735 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.703 -5.314 3.401 1.00 0.00 H new ATOM 1649 N LEU A 111 5.738 -2.831 0.829 1.00 0.00 N ATOM 1650 CA LEU A 111 6.910 -1.944 0.855 1.00 0.00 C ATOM 1651 C LEU A 111 7.686 -1.860 2.173 1.00 0.00 C ATOM 1652 O LEU A 111 7.131 -2.072 3.242 1.00 0.00 O ATOM 1653 CB LEU A 111 6.507 -0.493 0.487 1.00 0.00 C ATOM 1654 CG LEU A 111 5.067 -0.046 0.837 1.00 0.00 C ATOM 1655 CD1 LEU A 111 4.511 -0.456 2.185 1.00 0.00 C ATOM 1656 CD2 LEU A 111 5.002 1.465 0.652 1.00 0.00 C ATOM 0 H LEU A 111 5.271 -2.892 1.734 1.00 0.00 H new ATOM 0 HA LEU A 111 7.573 -2.410 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.201 0.186 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.648 -0.365 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 111 4.413 -0.589 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.496 -0.073 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.499 -1.543 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.138 -0.046 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.999 1.818 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.722 1.944 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.239 1.715 -0.382 1.00 0.00 H new ATOM 1668 N SER A 112 8.996 -1.466 2.104 1.00 0.00 N ATOM 1669 CA SER A 112 9.909 -1.195 3.222 1.00 0.00 C ATOM 1670 C SER A 112 10.040 0.316 3.390 1.00 0.00 C ATOM 1671 O SER A 112 9.632 1.040 2.480 1.00 0.00 O ATOM 1672 CB SER A 112 11.291 -1.914 3.079 1.00 0.00 C ATOM 1673 OG SER A 112 12.119 -1.419 2.017 1.00 0.00 O ATOM 0 H SER A 112 9.454 -1.326 1.203 1.00 0.00 H new ATOM 0 HA SER A 112 9.483 -1.619 4.131 1.00 0.00 H new ATOM 0 HB2 SER A 112 11.834 -1.818 4.019 1.00 0.00 H new ATOM 0 HB3 SER A 112 11.116 -2.978 2.919 1.00 0.00 H new ATOM 0 HG SER A 112 12.961 -1.920 1.998 1.00 0.00 H new ATOM 1679 N LEU A 113 10.605 0.896 4.515 1.00 0.00 N ATOM 1680 CA LEU A 113 10.623 2.371 4.669 1.00 0.00 C ATOM 1681 C LEU A 113 11.407 3.183 3.681 1.00 0.00 C ATOM 1682 O LEU A 113 10.999 4.298 3.456 1.00 0.00 O ATOM 1683 CB LEU A 113 10.789 3.143 6.025 1.00 0.00 C ATOM 1684 CG LEU A 113 10.364 2.466 7.334 1.00 0.00 C ATOM 1685 CD1 LEU A 113 11.572 2.440 8.284 1.00 0.00 C ATOM 1686 CD2 LEU A 113 9.190 3.169 8.036 1.00 0.00 C ATOM 0 H LEU A 113 11.030 0.377 5.283 1.00 0.00 H new ATOM 0 HA LEU A 113 9.550 2.303 4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.841 3.411 6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.229 4.074 5.942 1.00 0.00 H new ATOM 0 HG LEU A 113 10.023 1.462 7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.288 1.961 9.221 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.386 1.880 7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.901 3.460 8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.943 2.636 8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.471 4.195 8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.323 3.175 7.376 1.00 0.00 H new ATOM 1698 N GLU A 114 12.499 2.747 3.020 1.00 0.00 N ATOM 1699 CA GLU A 114 13.145 3.641 2.019 1.00 0.00 C ATOM 1700 C GLU A 114 12.568 3.604 0.616 1.00 0.00 C ATOM 1701 O GLU A 114 12.808 4.482 -0.202 1.00 0.00 O ATOM 1702 CB GLU A 114 14.663 3.890 2.156 1.00 0.00 C ATOM 1703 CG GLU A 114 14.856 5.323 2.719 1.00 0.00 C ATOM 1704 CD GLU A 114 16.337 5.657 2.833 1.00 0.00 C ATOM 1705 OE1 GLU A 114 17.049 4.949 3.596 1.00 0.00 O ATOM 1706 OE2 GLU A 114 16.781 6.626 2.160 1.00 0.00 O ATOM 0 H GLU A 114 12.938 1.835 3.145 1.00 0.00 H new ATOM 0 HA GLU A 114 12.791 4.613 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.113 3.154 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.156 3.789 1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 114 14.364 6.045 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 114 14.383 5.402 3.698 1.00 0.00 H new ATOM 1713 N GLN A 115 11.689 2.610 0.376 1.00 0.00 N ATOM 1714 CA GLN A 115 10.819 2.443 -0.772 1.00 0.00 C ATOM 1715 C GLN A 115 9.462 3.132 -0.574 1.00 0.00 C ATOM 1716 O GLN A 115 8.832 3.531 -1.549 1.00 0.00 O ATOM 1717 CB GLN A 115 10.643 0.949 -1.036 1.00 0.00 C ATOM 1718 CG GLN A 115 12.023 0.276 -1.086 1.00 0.00 C ATOM 1719 CD GLN A 115 11.815 -1.149 -1.529 1.00 0.00 C ATOM 1720 OE1 GLN A 115 11.689 -1.313 -2.867 1.00 0.00 O flip ATOM 1721 NE2 GLN A 115 11.719 -2.069 -0.705 1.00 0.00 N flip ATOM 0 H GLN A 115 11.571 1.848 1.044 1.00 0.00 H new ATOM 0 HA GLN A 115 11.280 2.921 -1.636 1.00 0.00 H new ATOM 0 HB2 GLN A 115 10.034 0.499 -0.252 1.00 0.00 H new ATOM 0 HB3 GLN A 115 10.116 0.794 -1.977 1.00 0.00 H new ATOM 0 HG2 GLN A 115 12.681 0.801 -1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 115 12.501 0.307 -0.107 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.825 -1.875 0.291 1.00 0.00 H new ATOM 0 HE22 GLN A 115 11.534 -3.021 -1.022 1.00 0.00 H new ATOM 1730 N GLY A 116 9.073 3.331 0.718 1.00 0.00 N ATOM 1731 CA GLY A 116 7.950 4.078 1.285 1.00 0.00 C ATOM 1732 C GLY A 116 8.203 5.534 1.642 1.00 0.00 C ATOM 1733 O GLY A 116 7.401 6.411 1.338 1.00 0.00 O ATOM 0 H GLY A 116 9.621 2.910 1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.125 4.041 0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.618 3.561 2.185 1.00 0.00 H new ATOM 1737 N ASN A 117 9.345 5.879 2.297 1.00 0.00 N ATOM 1738 CA ASN A 117 9.760 7.226 2.732 1.00 0.00 C ATOM 1739 C ASN A 117 10.260 8.088 1.590 1.00 0.00 C ATOM 1740 O ASN A 117 10.270 9.316 1.679 1.00 0.00 O ATOM 1741 CB ASN A 117 10.778 7.281 3.915 1.00 0.00 C ATOM 1742 CG ASN A 117 10.072 6.894 5.215 1.00 0.00 C ATOM 1743 OD1 ASN A 117 8.884 6.560 5.230 1.00 0.00 O ATOM 1744 ND2 ASN A 117 10.817 7.000 6.343 1.00 0.00 N ATOM 0 H ASN A 117 10.038 5.174 2.547 1.00 0.00 H new ATOM 0 HA ASN A 117 8.828 7.638 3.119 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.610 6.603 3.725 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.198 8.283 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 117 10.398 6.800 7.251 1.00 0.00 H new ATOM 0 HD22 ASN A 117 11.796 7.280 6.283 1.00 0.00 H new ATOM 1751 N ARG A 118 10.606 7.434 0.447 1.00 0.00 N ATOM 1752 CA ARG A 118 10.989 8.056 -0.804 1.00 0.00 C ATOM 1753 C ARG A 118 9.752 8.611 -1.544 1.00 0.00 C ATOM 1754 O ARG A 118 9.850 9.480 -2.403 1.00 0.00 O ATOM 1755 CB ARG A 118 11.666 7.046 -1.750 1.00 0.00 C ATOM 1756 CG ARG A 118 10.728 5.918 -2.225 1.00 0.00 C ATOM 1757 CD ARG A 118 10.370 5.956 -3.720 1.00 0.00 C ATOM 1758 NE ARG A 118 11.618 5.717 -4.528 1.00 0.00 N ATOM 1759 CZ ARG A 118 11.770 6.108 -5.833 1.00 0.00 C ATOM 1760 NH1 ARG A 118 10.785 6.791 -6.484 1.00 0.00 N ATOM 1761 NH2 ARG A 118 12.927 5.804 -6.491 1.00 0.00 N ATOM 0 H ARG A 118 10.619 6.415 0.394 1.00 0.00 H new ATOM 0 HA ARG A 118 11.681 8.859 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 118 12.050 7.578 -2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 118 12.523 6.604 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.196 4.959 -2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 118 9.806 5.964 -1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.623 5.196 -3.948 1.00 0.00 H new ATOM 0 HD3 ARG A 118 9.933 6.921 -3.978 1.00 0.00 H new ATOM 0 HE ARG A 118 12.396 5.236 -4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 118 9.917 7.019 -6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 118 10.917 7.074 -7.455 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.667 5.291 -6.011 1.00 0.00 H new ATOM 0 HH22 ARG A 118 13.052 6.090 -7.462 1.00 0.00 H new ATOM 1775 N LEU A 119 8.547 8.040 -1.194 1.00 0.00 N ATOM 1776 CA LEU A 119 7.188 8.342 -1.660 1.00 0.00 C ATOM 1777 C LEU A 119 6.613 9.364 -0.741 1.00 0.00 C ATOM 1778 O LEU A 119 6.009 10.324 -1.197 1.00 0.00 O ATOM 1779 CB LEU A 119 6.188 7.134 -1.659 1.00 0.00 C ATOM 1780 CG LEU A 119 4.723 7.440 -2.016 1.00 0.00 C ATOM 1781 CD1 LEU A 119 4.193 6.590 -3.148 1.00 0.00 C ATOM 1782 CD2 LEU A 119 3.801 7.006 -0.886 1.00 0.00 C ATOM 0 H LEU A 119 8.528 7.284 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 119 7.296 8.663 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 119 6.559 6.387 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.207 6.679 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 119 4.727 8.505 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.155 6.857 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.791 6.762 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.250 5.538 -2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.768 7.229 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.909 5.934 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 119 4.064 7.543 0.025 1.00 0.00 H new ATOM 1794 N ARG A 120 6.773 9.172 0.580 1.00 0.00 N ATOM 1795 CA ARG A 120 6.251 9.949 1.689 1.00 0.00 C ATOM 1796 C ARG A 120 6.026 11.477 1.594 1.00 0.00 C ATOM 1797 O ARG A 120 4.987 11.993 1.999 1.00 0.00 O ATOM 1798 CB ARG A 120 7.095 9.575 2.963 1.00 0.00 C ATOM 1799 CG ARG A 120 6.898 10.344 4.285 1.00 0.00 C ATOM 1800 CD ARG A 120 8.057 11.311 4.597 1.00 0.00 C ATOM 1801 NE ARG A 120 7.718 12.125 5.818 1.00 0.00 N ATOM 1802 CZ ARG A 120 6.991 13.287 5.784 1.00 0.00 C ATOM 1803 NH1 ARG A 120 6.537 13.806 4.606 1.00 0.00 N ATOM 1804 NH2 ARG A 120 6.714 13.934 6.954 1.00 0.00 N ATOM 0 H ARG A 120 7.329 8.387 0.918 1.00 0.00 H new ATOM 0 HA ARG A 120 5.203 9.650 1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.911 8.521 3.173 1.00 0.00 H new ATOM 0 HB3 ARG A 120 8.146 9.667 2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 120 5.966 10.907 4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.797 9.630 5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.977 10.751 4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.235 11.969 3.746 1.00 0.00 H new ATOM 0 HE ARG A 120 8.049 11.792 6.724 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.737 13.328 3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 120 5.998 14.672 4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 120 7.047 13.552 7.839 1.00 0.00 H new ATOM 0 HH22 ARG A 120 6.174 14.799 6.943 1.00 0.00 H new ATOM 1818 N GLU A 121 7.005 12.207 1.000 1.00 0.00 N ATOM 1819 CA GLU A 121 7.002 13.635 0.726 1.00 0.00 C ATOM 1820 C GLU A 121 6.408 14.012 -0.644 1.00 0.00 C ATOM 1821 O GLU A 121 6.040 15.165 -0.857 1.00 0.00 O ATOM 1822 CB GLU A 121 8.456 14.172 0.858 1.00 0.00 C ATOM 1823 CG GLU A 121 9.495 13.436 -0.015 1.00 0.00 C ATOM 1824 CD GLU A 121 10.887 14.016 0.240 1.00 0.00 C ATOM 1825 OE1 GLU A 121 11.092 15.222 -0.063 1.00 0.00 O ATOM 1826 OE2 GLU A 121 11.762 13.260 0.739 1.00 0.00 O ATOM 0 H GLU A 121 7.869 11.766 0.685 1.00 0.00 H new ATOM 0 HA GLU A 121 6.346 14.102 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.464 15.230 0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.762 14.101 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.487 12.370 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 121 9.236 13.537 -1.069 1.00 0.00 H new ATOM 1833 N GLN A 122 6.302 13.037 -1.593 1.00 0.00 N ATOM 1834 CA GLN A 122 5.774 13.194 -2.940 1.00 0.00 C ATOM 1835 C GLN A 122 4.382 12.607 -3.145 1.00 0.00 C ATOM 1836 O GLN A 122 3.557 13.253 -3.788 1.00 0.00 O ATOM 1837 CB GLN A 122 6.749 12.678 -4.058 1.00 0.00 C ATOM 1838 CG GLN A 122 7.289 11.227 -3.939 1.00 0.00 C ATOM 1839 CD GLN A 122 8.148 10.853 -5.174 1.00 0.00 C ATOM 1840 OE1 GLN A 122 8.041 11.405 -6.276 1.00 0.00 O ATOM 1841 NE2 GLN A 122 9.026 9.835 -4.999 1.00 0.00 N ATOM 0 H GLN A 122 6.603 12.080 -1.408 1.00 0.00 H new ATOM 0 HA GLN A 122 5.681 14.275 -3.044 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.236 12.766 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.605 13.352 -4.092 1.00 0.00 H new ATOM 0 HG2 GLN A 122 7.887 11.130 -3.033 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.455 10.531 -3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.109 9.384 -4.088 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.603 9.520 -5.779 1.00 0.00 H new ATOM 1850 N TYR A 123 4.077 11.355 -2.665 1.00 0.00 N ATOM 1851 CA TYR A 123 2.800 10.717 -3.012 1.00 0.00 C ATOM 1852 C TYR A 123 2.014 10.136 -1.863 1.00 0.00 C ATOM 1853 O TYR A 123 1.119 9.354 -2.166 1.00 0.00 O ATOM 1854 CB TYR A 123 2.798 9.700 -4.245 1.00 0.00 C ATOM 1855 CG TYR A 123 3.672 10.127 -5.394 1.00 0.00 C ATOM 1856 CD1 TYR A 123 3.334 11.230 -6.162 1.00 0.00 C ATOM 1857 CD2 TYR A 123 4.804 9.408 -5.734 1.00 0.00 C ATOM 1858 CE1 TYR A 123 4.154 11.656 -7.188 1.00 0.00 C ATOM 1859 CE2 TYR A 123 5.585 9.788 -6.804 1.00 0.00 C ATOM 1860 CZ TYR A 123 5.292 10.947 -7.489 1.00 0.00 C ATOM 1861 OH TYR A 123 6.263 11.485 -8.354 1.00 0.00 O ATOM 0 H TYR A 123 4.685 10.802 -2.061 1.00 0.00 H new ATOM 0 HA TYR A 123 2.274 11.608 -3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 123 3.127 8.721 -3.896 1.00 0.00 H new ATOM 0 HB3 TYR A 123 1.776 9.583 -4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.418 11.763 -5.955 1.00 0.00 H new ATOM 0 HD2 TYR A 123 5.079 8.539 -5.154 1.00 0.00 H new ATOM 0 HE1 TYR A 123 3.902 12.542 -7.751 1.00 0.00 H new ATOM 0 HE2 TYR A 123 6.425 9.179 -7.105 1.00 0.00 H new ATOM 0 HH TYR A 123 7.108 11.595 -7.870 1.00 0.00 H new ATOM 1871 N GLY A 124 2.202 10.431 -0.532 1.00 0.00 N ATOM 1872 CA GLY A 124 1.206 9.830 0.321 1.00 0.00 C ATOM 1873 C GLY A 124 1.589 9.708 1.720 1.00 0.00 C ATOM 1874 O GLY A 124 0.814 10.011 2.610 1.00 0.00 O ATOM 0 H GLY A 124 2.933 11.000 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.292 10.421 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 124 0.970 8.838 -0.064 1.00 0.00 H new ATOM 1878 N LEU A 125 2.790 9.181 2.020 1.00 0.00 N ATOM 1879 CA LEU A 125 3.229 8.748 3.354 1.00 0.00 C ATOM 1880 C LEU A 125 3.472 9.778 4.452 1.00 0.00 C ATOM 1881 O LEU A 125 3.981 9.488 5.533 1.00 0.00 O ATOM 1882 CB LEU A 125 4.236 7.580 3.148 1.00 0.00 C ATOM 1883 CG LEU A 125 3.593 6.260 3.474 1.00 0.00 C ATOM 1884 CD1 LEU A 125 3.844 5.299 2.301 1.00 0.00 C ATOM 1885 CD2 LEU A 125 3.504 5.928 4.988 1.00 0.00 C ATOM 0 H LEU A 125 3.508 9.041 1.309 1.00 0.00 H new ATOM 0 HA LEU A 125 2.363 8.374 3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.587 7.574 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.110 7.731 3.782 1.00 0.00 H new ATOM 0 HG LEU A 125 2.506 6.181 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.385 4.334 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.408 5.713 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.917 5.168 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.026 4.957 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 125 4.507 5.899 5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.917 6.694 5.495 1.00 0.00 H new ATOM 1897 N GLY A 126 2.993 11.012 4.183 1.00 0.00 N ATOM 1898 CA GLY A 126 2.970 12.112 5.135 1.00 0.00 C ATOM 1899 C GLY A 126 1.960 13.190 4.804 1.00 0.00 C ATOM 1900 O GLY A 126 2.331 14.093 4.063 1.00 0.00 O ATOM 0 H GLY A 126 2.606 11.263 3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.752 11.716 6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.963 12.560 5.181 1.00 0.00 H new ATOM 1904 N PRO A 127 0.685 13.198 5.255 1.00 0.00 N ATOM 1905 CA PRO A 127 -0.243 14.325 5.074 1.00 0.00 C ATOM 1906 C PRO A 127 -0.079 15.383 6.190 1.00 0.00 C ATOM 1907 O PRO A 127 -0.410 16.548 5.982 1.00 0.00 O ATOM 1908 CB PRO A 127 -1.613 13.622 5.179 1.00 0.00 C ATOM 1909 CG PRO A 127 -1.394 12.540 6.245 1.00 0.00 C ATOM 1910 CD PRO A 127 0.055 12.086 5.976 1.00 0.00 C ATOM 0 HA PRO A 127 -0.089 14.873 4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -2.398 14.319 5.473 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -1.913 13.188 4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -1.514 12.935 7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.102 11.718 6.139 1.00 0.00 H new ATOM 0 HD2 PRO A 127 0.580 11.875 6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 127 0.076 11.171 5.383 1.00 0.00 H new