USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 429 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 11 LYS NZ :NH3+ 145:sc= 1.27 (180deg=0) USER MOD Set 1.2: A 47 TYR OH : rot 150:sc= 1.05 USER MOD Single : A 7 SER OG : rot 36:sc= 0.18 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0476 F(o=-3.3!,f=-0.048) USER MOD Single : A 21 SER OG : rot 180:sc=0.000215 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.38! C(o=-1.4!,f=-9.5!) USER MOD Single : A 28 GLN : amide:sc= 0.17 K(o=0.17,f=-8!) USER MOD Single : A 31 ASN : amide:sc= -0.05 K(o=-0.05,f=-0.99!) USER MOD Single : A 36 ASN : amide:sc= 0.702 K(o=0.7,f=-6.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= -0.0596 (180deg=-0.315) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.859 K(o=0.86,f=-0.55) USER MOD Single : A 70 GLN : amide:sc= -0.0367 X(o=-0.037,f=-0.029) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 4.963 3.992 1.012 1.00 0.00 N ATOM 106 CA SER A 7 6.120 3.793 1.868 1.00 0.00 C ATOM 107 C SER A 7 6.903 2.563 1.416 1.00 0.00 C ATOM 108 O SER A 7 6.372 1.716 0.689 1.00 0.00 O ATOM 109 CB SER A 7 5.671 3.614 3.320 1.00 0.00 C ATOM 110 OG SER A 7 4.794 4.655 3.720 1.00 0.00 O ATOM 0 HA SER A 7 6.764 4.670 1.797 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.172 2.652 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.543 3.599 3.974 1.00 0.00 H new ATOM 0 HG SER A 7 4.226 4.913 2.964 1.00 0.00 H new ATOM 116 N GLU A 8 8.158 2.460 1.843 1.00 0.00 N ATOM 117 CA GLU A 8 8.960 1.276 1.560 1.00 0.00 C ATOM 118 C GLU A 8 8.333 0.061 2.233 1.00 0.00 C ATOM 119 O GLU A 8 8.337 -1.041 1.684 1.00 0.00 O ATOM 120 CB GLU A 8 10.403 1.460 2.040 1.00 0.00 C ATOM 121 CG GLU A 8 11.139 2.591 1.341 1.00 0.00 C ATOM 122 CD GLU A 8 12.626 2.602 1.648 1.00 0.00 C ATOM 123 OE1 GLU A 8 13.371 1.824 1.016 1.00 0.00 O ATOM 124 OE2 GLU A 8 13.060 3.394 2.512 1.00 0.00 O ATOM 0 H GLU A 8 8.639 3.179 2.384 1.00 0.00 H new ATOM 0 HA GLU A 8 8.982 1.123 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.398 1.650 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.950 0.530 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.995 2.501 0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.703 3.543 1.643 1.00 0.00 H new ATOM 131 N GLU A 9 7.768 0.290 3.415 1.00 0.00 N ATOM 132 CA GLU A 9 7.056 -0.741 4.157 1.00 0.00 C ATOM 133 C GLU A 9 5.893 -1.287 3.332 1.00 0.00 C ATOM 134 O GLU A 9 5.625 -2.484 3.335 1.00 0.00 O ATOM 135 CB GLU A 9 6.528 -0.151 5.466 1.00 0.00 C ATOM 136 CG GLU A 9 5.879 -1.169 6.391 1.00 0.00 C ATOM 137 CD GLU A 9 5.208 -0.518 7.585 1.00 0.00 C ATOM 138 OE1 GLU A 9 4.026 -0.123 7.468 1.00 0.00 O ATOM 139 OE2 GLU A 9 5.860 -0.388 8.646 1.00 0.00 O ATOM 0 H GLU A 9 7.792 1.196 3.884 1.00 0.00 H new ATOM 0 HA GLU A 9 7.743 -1.559 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.352 0.329 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.801 0.628 5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.141 -1.745 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.635 -1.872 6.741 1.00 0.00 H new ATOM 146 N PHE A 10 5.223 -0.397 2.611 1.00 0.00 N ATOM 147 CA PHE A 10 4.064 -0.772 1.801 1.00 0.00 C ATOM 148 C PHE A 10 4.483 -1.665 0.632 1.00 0.00 C ATOM 149 O PHE A 10 3.879 -2.707 0.386 1.00 0.00 O ATOM 150 CB PHE A 10 3.345 0.483 1.288 1.00 0.00 C ATOM 151 CG PHE A 10 2.072 0.196 0.542 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.892 -0.045 1.227 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.054 0.170 -0.843 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.281 -0.304 0.545 1.00 0.00 C ATOM 155 CE2 PHE A 10 0.885 -0.089 -1.530 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.284 -0.329 -0.837 1.00 0.00 C ATOM 0 H PHE A 10 5.461 0.594 2.569 1.00 0.00 H new ATOM 0 HA PHE A 10 3.375 -1.337 2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.120 1.132 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.021 1.035 0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.889 -0.030 2.307 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.966 0.355 -1.392 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.195 -0.487 1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.885 -0.104 -2.610 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.199 -0.536 -1.373 1.00 0.00 H new ATOM 166 N LYS A 11 5.524 -1.251 -0.082 1.00 0.00 N ATOM 167 CA LYS A 11 6.061 -2.036 -1.188 1.00 0.00 C ATOM 168 C LYS A 11 6.587 -3.378 -0.687 1.00 0.00 C ATOM 169 O LYS A 11 6.521 -4.388 -1.388 1.00 0.00 O ATOM 170 CB LYS A 11 7.176 -1.255 -1.889 1.00 0.00 C ATOM 171 CG LYS A 11 6.714 0.079 -2.456 1.00 0.00 C ATOM 172 CD LYS A 11 7.782 0.725 -3.328 1.00 0.00 C ATOM 173 CE LYS A 11 8.924 1.290 -2.513 1.00 0.00 C ATOM 174 NZ LYS A 11 10.017 1.814 -3.373 1.00 0.00 N ATOM 0 H LYS A 11 6.015 -0.373 0.086 1.00 0.00 H new ATOM 0 HA LYS A 11 5.260 -2.228 -1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.987 -1.080 -1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.583 -1.863 -2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.808 -0.070 -3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.457 0.752 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.170 -0.013 -4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.332 1.522 -3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.551 2.090 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.319 0.515 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.441 2.651 -2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.744 1.081 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.632 2.078 -4.302 1.00 0.00 H new ATOM 188 N ARG A 12 7.090 -3.378 0.537 1.00 0.00 N ATOM 189 CA ARG A 12 7.588 -4.589 1.167 1.00 0.00 C ATOM 190 C ARG A 12 6.419 -5.509 1.518 1.00 0.00 C ATOM 191 O ARG A 12 6.481 -6.723 1.326 1.00 0.00 O ATOM 192 CB ARG A 12 8.358 -4.216 2.431 1.00 0.00 C ATOM 193 CG ARG A 12 9.387 -5.240 2.862 1.00 0.00 C ATOM 194 CD ARG A 12 10.009 -4.835 4.185 1.00 0.00 C ATOM 195 NE ARG A 12 11.283 -5.503 4.431 1.00 0.00 N ATOM 196 CZ ARG A 12 11.593 -6.114 5.572 1.00 0.00 C ATOM 197 NH1 ARG A 12 10.675 -6.289 6.514 1.00 0.00 N ATOM 198 NH2 ARG A 12 12.818 -6.580 5.766 1.00 0.00 N ATOM 0 H ARG A 12 7.164 -2.543 1.119 1.00 0.00 H new ATOM 0 HA ARG A 12 8.252 -5.113 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.859 -3.262 2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.647 -4.068 3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.918 -6.219 2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.162 -5.330 2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.160 -3.756 4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.318 -5.069 4.995 1.00 0.00 H new ATOM 0 HE ARG A 12 11.977 -5.502 3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.723 -5.954 6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.921 -6.758 7.385 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.526 -6.471 5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.053 -7.048 6.641 1.00 0.00 H new ATOM 212 N ASP A 13 5.349 -4.904 2.028 1.00 0.00 N ATOM 213 CA ASP A 13 4.141 -5.630 2.416 1.00 0.00 C ATOM 214 C ASP A 13 3.480 -6.267 1.198 1.00 0.00 C ATOM 215 O ASP A 13 2.960 -7.380 1.270 1.00 0.00 O ATOM 216 CB ASP A 13 3.164 -4.678 3.114 1.00 0.00 C ATOM 217 CG ASP A 13 1.997 -5.394 3.761 1.00 0.00 C ATOM 218 OD1 ASP A 13 2.130 -5.808 4.931 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.933 -5.521 3.118 1.00 0.00 O ATOM 0 H ASP A 13 5.294 -3.898 2.184 1.00 0.00 H new ATOM 0 HA ASP A 13 4.419 -6.426 3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.700 -4.110 3.874 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.784 -3.960 2.387 1.00 0.00 H new ATOM 224 N ALA A 14 3.523 -5.556 0.076 1.00 0.00 N ATOM 225 CA ALA A 14 2.979 -6.057 -1.178 1.00 0.00 C ATOM 226 C ALA A 14 3.658 -7.357 -1.585 1.00 0.00 C ATOM 227 O ALA A 14 3.023 -8.262 -2.130 1.00 0.00 O ATOM 228 CB ALA A 14 3.135 -5.012 -2.270 1.00 0.00 C ATOM 0 H ALA A 14 3.933 -4.624 0.011 1.00 0.00 H new ATOM 0 HA ALA A 14 1.918 -6.261 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.725 -5.397 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.600 -4.106 -1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.192 -4.782 -2.406 1.00 0.00 H new ATOM 234 N VAL A 15 4.954 -7.449 -1.312 1.00 0.00 N ATOM 235 CA VAL A 15 5.701 -8.669 -1.592 1.00 0.00 C ATOM 236 C VAL A 15 5.213 -9.813 -0.704 1.00 0.00 C ATOM 237 O VAL A 15 5.027 -10.940 -1.168 1.00 0.00 O ATOM 238 CB VAL A 15 7.218 -8.474 -1.382 1.00 0.00 C ATOM 239 CG1 VAL A 15 7.988 -9.727 -1.777 1.00 0.00 C ATOM 240 CG2 VAL A 15 7.718 -7.275 -2.167 1.00 0.00 C ATOM 0 H VAL A 15 5.507 -6.698 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 15 5.527 -8.916 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 15 7.389 -8.289 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.054 -9.564 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.655 -10.566 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.806 -9.949 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.789 -7.155 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.526 -7.430 -3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.198 -6.378 -1.831 1.00 0.00 H new ATOM 250 N ALA A 16 4.991 -9.505 0.571 1.00 0.00 N ATOM 251 CA ALA A 16 4.508 -10.492 1.534 1.00 0.00 C ATOM 252 C ALA A 16 3.098 -10.953 1.174 1.00 0.00 C ATOM 253 O ALA A 16 2.744 -12.118 1.356 1.00 0.00 O ATOM 254 CB ALA A 16 4.542 -9.908 2.941 1.00 0.00 C ATOM 0 H ALA A 16 5.139 -8.575 0.963 1.00 0.00 H new ATOM 0 HA ALA A 16 5.164 -11.362 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.180 -10.651 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.565 -9.630 3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.905 -9.024 2.984 1.00 0.00 H new ATOM 260 N LEU A 17 2.303 -10.035 0.654 1.00 0.00 N ATOM 261 CA LEU A 17 0.959 -10.351 0.209 1.00 0.00 C ATOM 262 C LEU A 17 1.010 -11.300 -0.984 1.00 0.00 C ATOM 263 O LEU A 17 0.269 -12.278 -1.041 1.00 0.00 O ATOM 264 CB LEU A 17 0.215 -9.066 -0.165 1.00 0.00 C ATOM 265 CG LEU A 17 -1.244 -9.252 -0.596 1.00 0.00 C ATOM 266 CD1 LEU A 17 -2.056 -9.917 0.505 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.855 -7.912 -0.977 1.00 0.00 C ATOM 0 H LEU A 17 2.568 -9.058 0.529 1.00 0.00 H new ATOM 0 HA LEU A 17 0.424 -10.842 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.240 -8.390 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.756 -8.576 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.263 -9.905 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.088 -10.038 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.631 -10.895 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.032 -9.296 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.891 -8.058 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.820 -7.239 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.292 -7.477 -1.803 1.00 0.00 H new ATOM 279 N TYR A 18 1.905 -11.010 -1.925 1.00 0.00 N ATOM 280 CA TYR A 18 2.047 -11.826 -3.128 1.00 0.00 C ATOM 281 C TYR A 18 2.544 -13.238 -2.812 1.00 0.00 C ATOM 282 O TYR A 18 2.048 -14.213 -3.377 1.00 0.00 O ATOM 283 CB TYR A 18 3.005 -11.170 -4.123 1.00 0.00 C ATOM 284 CG TYR A 18 3.441 -12.107 -5.227 1.00 0.00 C ATOM 285 CD1 TYR A 18 2.586 -12.435 -6.270 1.00 0.00 C ATOM 286 CD2 TYR A 18 4.710 -12.673 -5.217 1.00 0.00 C ATOM 287 CE1 TYR A 18 2.982 -13.305 -7.268 1.00 0.00 C ATOM 288 CE2 TYR A 18 5.112 -13.541 -6.210 1.00 0.00 C ATOM 289 CZ TYR A 18 4.248 -13.850 -7.235 1.00 0.00 C ATOM 290 OH TYR A 18 4.648 -14.715 -8.228 1.00 0.00 O ATOM 0 H TYR A 18 2.543 -10.216 -1.878 1.00 0.00 H new ATOM 0 HA TYR A 18 1.053 -11.901 -3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 18 2.522 -10.298 -4.564 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.885 -10.811 -3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.596 -12.004 -6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.394 -12.429 -4.417 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.303 -13.557 -8.070 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.100 -13.976 -6.183 1.00 0.00 H new ATOM 0 HH TYR A 18 5.567 -15.007 -8.056 1.00 0.00 H new ATOM 300 N GLU A 19 3.532 -13.349 -1.921 1.00 0.00 N ATOM 301 CA GLU A 19 4.125 -14.651 -1.609 1.00 0.00 C ATOM 302 C GLU A 19 3.102 -15.570 -0.951 1.00 0.00 C ATOM 303 O GLU A 19 3.288 -16.784 -0.895 1.00 0.00 O ATOM 304 CB GLU A 19 5.361 -14.507 -0.719 1.00 0.00 C ATOM 305 CG GLU A 19 5.077 -13.933 0.654 1.00 0.00 C ATOM 306 CD GLU A 19 6.276 -14.019 1.563 1.00 0.00 C ATOM 307 OE1 GLU A 19 7.224 -13.231 1.378 1.00 0.00 O ATOM 308 OE2 GLU A 19 6.286 -14.890 2.454 1.00 0.00 O ATOM 0 H GLU A 19 3.934 -12.564 -1.409 1.00 0.00 H new ATOM 0 HA GLU A 19 4.441 -15.099 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.826 -15.486 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.086 -13.868 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.772 -12.891 0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.242 -14.469 1.105 1.00 0.00 H new ATOM 315 N ASN A 20 2.029 -14.978 -0.446 1.00 0.00 N ATOM 316 CA ASN A 20 0.901 -15.737 0.089 1.00 0.00 C ATOM 317 C ASN A 20 -0.015 -16.171 -1.054 1.00 0.00 C ATOM 318 O ASN A 20 -1.239 -16.219 -0.915 1.00 0.00 O ATOM 319 CB ASN A 20 0.121 -14.893 1.107 1.00 0.00 C ATOM 320 CG ASN A 20 0.821 -14.765 2.455 1.00 0.00 C ATOM 321 OD1 ASN A 20 2.146 -14.788 2.455 1.00 0.00 O flip ATOM 322 ND2 ASN A 20 0.168 -14.647 3.493 1.00 0.00 N flip ATOM 0 H ASN A 20 1.913 -13.966 -0.394 1.00 0.00 H new ATOM 0 HA ASN A 20 1.280 -16.623 0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.040 -13.897 0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.863 -15.338 1.258 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.851 -14.633 3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.647 -14.563 4.390 1.00 0.00 H new ATOM 329 N SER A 21 0.607 -16.532 -2.172 1.00 0.00 N ATOM 330 CA SER A 21 -0.093 -16.877 -3.404 1.00 0.00 C ATOM 331 C SER A 21 -0.929 -18.141 -3.247 1.00 0.00 C ATOM 332 O SER A 21 -1.761 -18.463 -4.101 1.00 0.00 O ATOM 333 CB SER A 21 0.922 -17.045 -4.530 1.00 0.00 C ATOM 334 OG SER A 21 1.939 -17.966 -4.165 1.00 0.00 O ATOM 0 H SER A 21 1.622 -16.594 -2.249 1.00 0.00 H new ATOM 0 HA SER A 21 -0.781 -16.067 -3.646 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.417 -17.394 -5.431 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.369 -16.080 -4.769 1.00 0.00 H new ATOM 0 HG SER A 21 2.577 -18.058 -4.903 1.00 0.00 H new ATOM 340 N ASP A 22 -0.687 -18.867 -2.162 1.00 0.00 N ATOM 341 CA ASP A 22 -1.493 -20.039 -1.818 1.00 0.00 C ATOM 342 C ASP A 22 -2.977 -19.679 -1.804 1.00 0.00 C ATOM 343 O ASP A 22 -3.843 -20.526 -2.039 1.00 0.00 O ATOM 344 CB ASP A 22 -1.076 -20.592 -0.456 1.00 0.00 C ATOM 345 CG ASP A 22 -1.942 -21.750 -0.006 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.826 -22.846 -0.586 1.00 0.00 O ATOM 347 OD2 ASP A 22 -2.751 -21.568 0.928 1.00 0.00 O ATOM 0 H ASP A 22 0.063 -18.666 -1.501 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.325 -20.806 -2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.037 -20.918 -0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.127 -19.795 0.286 1.00 0.00 H new ATOM 352 N GLY A 23 -3.259 -18.414 -1.531 1.00 0.00 N ATOM 353 CA GLY A 23 -4.616 -17.920 -1.586 1.00 0.00 C ATOM 354 C GLY A 23 -4.687 -16.550 -2.225 1.00 0.00 C ATOM 355 O GLY A 23 -5.427 -15.681 -1.761 1.00 0.00 O ATOM 0 H GLY A 23 -2.563 -17.716 -1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.235 -18.618 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.027 -17.873 -0.578 1.00 0.00 H new ATOM 359 N ALA A 24 -3.922 -16.361 -3.297 1.00 0.00 N ATOM 360 CA ALA A 24 -3.849 -15.077 -3.969 1.00 0.00 C ATOM 361 C ALA A 24 -3.278 -15.230 -5.374 1.00 0.00 C ATOM 362 O ALA A 24 -2.335 -15.987 -5.593 1.00 0.00 O ATOM 363 CB ALA A 24 -3.006 -14.108 -3.161 1.00 0.00 C ATOM 0 H ALA A 24 -3.343 -17.088 -3.717 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.860 -14.679 -4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.960 -13.149 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.453 -13.970 -2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.999 -14.509 -3.048 1.00 0.00 H new ATOM 369 N SER A 25 -3.867 -14.518 -6.315 1.00 0.00 N ATOM 370 CA SER A 25 -3.394 -14.510 -7.692 1.00 0.00 C ATOM 371 C SER A 25 -2.500 -13.291 -7.925 1.00 0.00 C ATOM 372 O SER A 25 -2.665 -12.266 -7.265 1.00 0.00 O ATOM 373 CB SER A 25 -4.587 -14.493 -8.656 1.00 0.00 C ATOM 374 OG SER A 25 -4.162 -14.494 -10.008 1.00 0.00 O ATOM 0 H SER A 25 -4.684 -13.930 -6.151 1.00 0.00 H new ATOM 0 HA SER A 25 -2.811 -15.412 -7.877 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.218 -15.362 -8.471 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.197 -13.610 -8.466 1.00 0.00 H new ATOM 0 HG SER A 25 -4.945 -14.485 -10.597 1.00 0.00 H new ATOM 380 N LEU A 26 -1.565 -13.399 -8.867 1.00 0.00 N ATOM 381 CA LEU A 26 -0.631 -12.309 -9.155 1.00 0.00 C ATOM 382 C LEU A 26 -1.393 -11.075 -9.643 1.00 0.00 C ATOM 383 O LEU A 26 -1.218 -9.972 -9.116 1.00 0.00 O ATOM 384 CB LEU A 26 0.391 -12.765 -10.210 1.00 0.00 C ATOM 385 CG LEU A 26 1.762 -12.069 -10.175 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.713 -12.730 -11.159 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.650 -10.585 -10.476 1.00 0.00 C ATOM 0 H LEU A 26 -1.433 -14.229 -9.444 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.098 -12.044 -8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.548 -13.837 -10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.045 -12.613 -11.197 1.00 0.00 H new ATOM 0 HG LEU A 26 2.157 -12.174 -9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.680 -12.228 -11.124 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.840 -13.780 -10.893 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.303 -12.658 -12.166 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.640 -10.131 -10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.222 -10.446 -11.469 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.007 -10.111 -9.734 1.00 0.00 H new ATOM 399 N GLN A 27 -2.247 -11.273 -10.646 1.00 0.00 N ATOM 400 CA GLN A 27 -3.079 -10.199 -11.178 1.00 0.00 C ATOM 401 C GLN A 27 -3.957 -9.621 -10.072 1.00 0.00 C ATOM 402 O GLN A 27 -4.134 -8.410 -9.978 1.00 0.00 O ATOM 403 CB GLN A 27 -3.961 -10.721 -12.319 1.00 0.00 C ATOM 404 CG GLN A 27 -4.712 -9.628 -13.067 1.00 0.00 C ATOM 405 CD GLN A 27 -3.805 -8.787 -13.940 1.00 0.00 C ATOM 406 OE1 GLN A 27 -2.792 -9.266 -14.450 1.00 0.00 O ATOM 407 NE2 GLN A 27 -4.163 -7.530 -14.124 1.00 0.00 N ATOM 0 H GLN A 27 -2.380 -12.173 -11.107 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.428 -9.416 -11.566 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.338 -11.269 -13.026 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.682 -11.431 -11.913 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.485 -10.083 -13.686 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.217 -8.983 -12.348 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.010 -7.171 -13.683 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.593 -6.917 -14.707 1.00 0.00 H new ATOM 416 N GLN A 28 -4.469 -10.508 -9.222 1.00 0.00 N ATOM 417 CA GLN A 28 -5.355 -10.130 -8.126 1.00 0.00 C ATOM 418 C GLN A 28 -4.678 -9.127 -7.192 1.00 0.00 C ATOM 419 O GLN A 28 -5.292 -8.144 -6.779 1.00 0.00 O ATOM 420 CB GLN A 28 -5.760 -11.388 -7.352 1.00 0.00 C ATOM 421 CG GLN A 28 -6.742 -11.156 -6.215 1.00 0.00 C ATOM 422 CD GLN A 28 -7.012 -12.430 -5.437 1.00 0.00 C ATOM 423 OE1 GLN A 28 -6.142 -13.295 -5.329 1.00 0.00 O ATOM 424 NE2 GLN A 28 -8.211 -12.564 -4.900 1.00 0.00 N ATOM 0 H GLN A 28 -4.281 -11.509 -9.274 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.243 -9.651 -8.539 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.198 -12.100 -8.051 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.861 -11.852 -6.946 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.346 -10.396 -5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.679 -10.770 -6.617 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.905 -11.825 -5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.443 -13.406 -4.374 1.00 0.00 H new ATOM 433 N ILE A 29 -3.406 -9.369 -6.880 1.00 0.00 N ATOM 434 CA ILE A 29 -2.651 -8.488 -5.995 1.00 0.00 C ATOM 435 C ILE A 29 -2.484 -7.108 -6.625 1.00 0.00 C ATOM 436 O ILE A 29 -2.831 -6.095 -6.020 1.00 0.00 O ATOM 437 CB ILE A 29 -1.252 -9.060 -5.666 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.363 -10.476 -5.095 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.518 -8.153 -4.686 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.166 -10.566 -3.817 1.00 0.00 C ATOM 0 H ILE A 29 -2.877 -10.169 -7.228 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.221 -8.408 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.681 -9.106 -6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.819 -11.123 -5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.360 -10.861 -4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.464 -8.573 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.400 -7.163 -5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.093 -8.074 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.196 -11.602 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.700 -9.947 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.181 -10.214 -4.000 1.00 0.00 H new ATOM 452 N ALA A 30 -1.969 -7.083 -7.851 1.00 0.00 N ATOM 453 CA ALA A 30 -1.730 -5.828 -8.557 1.00 0.00 C ATOM 454 C ALA A 30 -3.028 -5.055 -8.756 1.00 0.00 C ATOM 455 O ALA A 30 -3.069 -3.835 -8.600 1.00 0.00 O ATOM 456 CB ALA A 30 -1.067 -6.092 -9.899 1.00 0.00 C ATOM 0 H ALA A 30 -1.709 -7.918 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.062 -5.221 -7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.896 -5.146 -10.413 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.114 -6.597 -9.741 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.715 -6.723 -10.507 1.00 0.00 H new ATOM 462 N ASN A 31 -4.081 -5.784 -9.091 1.00 0.00 N ATOM 463 CA ASN A 31 -5.397 -5.202 -9.321 1.00 0.00 C ATOM 464 C ASN A 31 -5.937 -4.573 -8.040 1.00 0.00 C ATOM 465 O ASN A 31 -6.403 -3.433 -8.043 1.00 0.00 O ATOM 466 CB ASN A 31 -6.359 -6.289 -9.808 1.00 0.00 C ATOM 467 CG ASN A 31 -7.600 -5.742 -10.488 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.059 -4.638 -10.193 1.00 0.00 O ATOM 469 ND2 ASN A 31 -8.159 -6.527 -11.400 1.00 0.00 N ATOM 0 H ASN A 31 -4.049 -6.796 -9.212 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.309 -4.424 -10.079 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.833 -6.943 -10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.661 -6.902 -8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.002 -6.223 -11.887 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.746 -7.435 -11.614 1.00 0.00 H new ATOM 476 N ASP A 32 -5.840 -5.317 -6.944 1.00 0.00 N ATOM 477 CA ASP A 32 -6.391 -4.888 -5.662 1.00 0.00 C ATOM 478 C ASP A 32 -5.673 -3.655 -5.128 1.00 0.00 C ATOM 479 O ASP A 32 -6.304 -2.753 -4.574 1.00 0.00 O ATOM 480 CB ASP A 32 -6.300 -6.022 -4.641 1.00 0.00 C ATOM 481 CG ASP A 32 -6.965 -5.669 -3.327 1.00 0.00 C ATOM 482 OD1 ASP A 32 -8.202 -5.495 -3.309 1.00 0.00 O ATOM 483 OD2 ASP A 32 -6.263 -5.596 -2.300 1.00 0.00 O ATOM 0 H ASP A 32 -5.381 -6.228 -6.917 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.437 -4.627 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.767 -6.917 -5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.252 -6.263 -4.462 1.00 0.00 H new ATOM 488 N LEU A 33 -4.356 -3.616 -5.292 1.00 0.00 N ATOM 489 CA LEU A 33 -3.570 -2.466 -4.854 1.00 0.00 C ATOM 490 C LEU A 33 -3.825 -1.262 -5.750 1.00 0.00 C ATOM 491 O LEU A 33 -3.839 -0.119 -5.289 1.00 0.00 O ATOM 492 CB LEU A 33 -2.075 -2.803 -4.833 1.00 0.00 C ATOM 493 CG LEU A 33 -1.547 -3.412 -3.527 1.00 0.00 C ATOM 494 CD1 LEU A 33 -2.234 -4.735 -3.216 1.00 0.00 C ATOM 495 CD2 LEU A 33 -0.040 -3.601 -3.605 1.00 0.00 C ATOM 0 H LEU A 33 -3.811 -4.363 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.882 -2.215 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.867 -3.498 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.513 -1.892 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.774 -2.720 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.838 -5.141 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.307 -4.573 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.050 -5.440 -4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.321 -4.034 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.201 -4.269 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.440 -2.636 -3.767 1.00 0.00 H new ATOM 507 N GLY A 34 -4.046 -1.528 -7.029 1.00 0.00 N ATOM 508 CA GLY A 34 -4.305 -0.464 -7.980 1.00 0.00 C ATOM 509 C GLY A 34 -3.059 -0.049 -8.733 1.00 0.00 C ATOM 510 O GLY A 34 -2.875 1.126 -9.050 1.00 0.00 O ATOM 0 H GLY A 34 -4.051 -2.467 -7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.064 -0.792 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.713 0.399 -7.454 1.00 0.00 H new ATOM 514 N ILE A 35 -2.199 -1.017 -9.017 1.00 0.00 N ATOM 515 CA ILE A 35 -0.952 -0.757 -9.719 1.00 0.00 C ATOM 516 C ILE A 35 -0.813 -1.686 -10.916 1.00 0.00 C ATOM 517 O ILE A 35 -1.664 -2.549 -11.143 1.00 0.00 O ATOM 518 CB ILE A 35 0.269 -0.941 -8.797 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.248 -2.333 -8.153 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.314 0.152 -7.736 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.438 -2.604 -7.259 1.00 0.00 C ATOM 0 H ILE A 35 -2.345 -1.996 -8.770 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.982 0.280 -10.055 1.00 0.00 H new ATOM 0 HB ILE A 35 1.173 -0.858 -9.400 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.666 -2.441 -7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.215 -3.087 -8.939 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.184 0.003 -7.096 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.383 1.126 -8.220 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.592 0.110 -7.132 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.356 -3.606 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.356 -2.529 -7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.461 -1.872 -6.451 1.00 0.00 H new ATOM 533 N ASN A 36 0.241 -1.495 -11.695 1.00 0.00 N ATOM 534 CA ASN A 36 0.519 -2.360 -12.821 1.00 0.00 C ATOM 535 C ASN A 36 1.135 -3.667 -12.344 1.00 0.00 C ATOM 536 O ASN A 36 1.908 -3.682 -11.382 1.00 0.00 O ATOM 537 CB ASN A 36 1.458 -1.665 -13.803 1.00 0.00 C ATOM 538 CG ASN A 36 1.583 -2.427 -15.102 1.00 0.00 C ATOM 539 OD1 ASN A 36 2.461 -3.270 -15.261 1.00 0.00 O ATOM 540 ND2 ASN A 36 0.689 -2.150 -16.030 1.00 0.00 N ATOM 0 H ASN A 36 0.918 -0.744 -11.563 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.420 -2.580 -13.329 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.090 -0.659 -14.007 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.443 -1.558 -13.349 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.710 -2.644 -16.922 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.024 -1.442 -15.856 1.00 0.00 H new ATOM 547 N ARG A 37 0.790 -4.751 -13.023 1.00 0.00 N ATOM 548 CA ARG A 37 1.281 -6.081 -12.677 1.00 0.00 C ATOM 549 C ARG A 37 2.806 -6.134 -12.760 1.00 0.00 C ATOM 550 O ARG A 37 3.459 -6.802 -11.958 1.00 0.00 O ATOM 551 CB ARG A 37 0.663 -7.128 -13.611 1.00 0.00 C ATOM 552 CG ARG A 37 0.929 -8.564 -13.186 1.00 0.00 C ATOM 553 CD ARG A 37 0.293 -9.557 -14.145 1.00 0.00 C ATOM 554 NE ARG A 37 0.907 -9.503 -15.470 1.00 0.00 N ATOM 555 CZ ARG A 37 0.224 -9.470 -16.614 1.00 0.00 C ATOM 556 NH1 ARG A 37 -1.107 -9.464 -16.608 1.00 0.00 N ATOM 557 NH2 ARG A 37 0.880 -9.431 -17.766 1.00 0.00 N ATOM 0 H ARG A 37 0.163 -4.736 -13.828 1.00 0.00 H new ATOM 0 HA ARG A 37 0.987 -6.302 -11.651 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.414 -6.967 -13.660 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.053 -6.979 -14.618 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.004 -8.738 -13.141 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.538 -8.725 -12.181 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.389 -10.565 -13.741 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.773 -9.348 -14.230 1.00 0.00 H new ATOM 0 HE ARG A 37 1.926 -9.490 -15.523 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.613 -9.485 -15.723 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.621 -9.439 -17.489 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.900 -9.426 -17.772 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.365 -9.406 -18.646 1.00 0.00 H new ATOM 571 N VAL A 38 3.365 -5.410 -13.722 1.00 0.00 N ATOM 572 CA VAL A 38 4.811 -5.356 -13.898 1.00 0.00 C ATOM 573 C VAL A 38 5.449 -4.557 -12.768 1.00 0.00 C ATOM 574 O VAL A 38 6.466 -4.962 -12.208 1.00 0.00 O ATOM 575 CB VAL A 38 5.202 -4.737 -15.258 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.715 -4.734 -15.442 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.531 -5.492 -16.398 1.00 0.00 C ATOM 0 H VAL A 38 2.838 -4.851 -14.393 1.00 0.00 H new ATOM 0 HA VAL A 38 5.181 -6.381 -13.877 1.00 0.00 H new ATOM 0 HB VAL A 38 4.856 -3.703 -15.271 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.963 -4.293 -16.407 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.177 -4.149 -14.646 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.088 -5.757 -15.404 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.817 -5.043 -17.349 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.847 -6.535 -16.379 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.448 -5.439 -16.282 1.00 0.00 H new ATOM 587 N THR A 39 4.832 -3.430 -12.418 1.00 0.00 N ATOM 588 CA THR A 39 5.317 -2.604 -11.317 1.00 0.00 C ATOM 589 C THR A 39 5.354 -3.407 -10.018 1.00 0.00 C ATOM 590 O THR A 39 6.305 -3.309 -9.242 1.00 0.00 O ATOM 591 CB THR A 39 4.432 -1.358 -11.129 1.00 0.00 C ATOM 592 OG1 THR A 39 4.315 -0.659 -12.375 1.00 0.00 O ATOM 593 CG2 THR A 39 5.009 -0.424 -10.077 1.00 0.00 C ATOM 0 H THR A 39 3.997 -3.070 -12.880 1.00 0.00 H new ATOM 0 HA THR A 39 6.328 -2.281 -11.567 1.00 0.00 H new ATOM 0 HB THR A 39 3.449 -1.688 -10.792 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.750 0.133 -12.254 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.361 0.446 -9.968 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.077 -0.948 -9.123 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.003 -0.100 -10.384 1.00 0.00 H new ATOM 601 N LEU A 40 4.319 -4.212 -9.802 1.00 0.00 N ATOM 602 CA LEU A 40 4.254 -5.090 -8.639 1.00 0.00 C ATOM 603 C LEU A 40 5.383 -6.111 -8.683 1.00 0.00 C ATOM 604 O LEU A 40 6.102 -6.302 -7.701 1.00 0.00 O ATOM 605 CB LEU A 40 2.907 -5.817 -8.597 1.00 0.00 C ATOM 606 CG LEU A 40 2.742 -6.822 -7.456 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.673 -6.111 -6.113 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.508 -7.680 -7.679 1.00 0.00 C ATOM 0 H LEU A 40 3.510 -4.275 -10.420 1.00 0.00 H new ATOM 0 HA LEU A 40 4.359 -4.480 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.114 -5.073 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.765 -6.340 -9.543 1.00 0.00 H new ATOM 0 HG LEU A 40 3.615 -7.474 -7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.556 -6.847 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.592 -5.546 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.822 -5.430 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.405 -8.390 -6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.625 -7.043 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.608 -8.224 -8.618 1.00 0.00 H new ATOM 620 N LYS A 41 5.535 -6.750 -9.841 1.00 0.00 N ATOM 621 CA LYS A 41 6.554 -7.775 -10.044 1.00 0.00 C ATOM 622 C LYS A 41 7.944 -7.220 -9.747 1.00 0.00 C ATOM 623 O LYS A 41 8.771 -7.884 -9.118 1.00 0.00 O ATOM 624 CB LYS A 41 6.500 -8.280 -11.486 1.00 0.00 C ATOM 625 CG LYS A 41 7.252 -9.579 -11.713 1.00 0.00 C ATOM 626 CD LYS A 41 7.270 -9.948 -13.184 1.00 0.00 C ATOM 627 CE LYS A 41 7.808 -11.352 -13.401 1.00 0.00 C ATOM 628 NZ LYS A 41 7.922 -11.683 -14.846 1.00 0.00 N ATOM 0 H LYS A 41 4.957 -6.572 -10.662 1.00 0.00 H new ATOM 0 HA LYS A 41 6.355 -8.600 -9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.458 -8.421 -11.772 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.911 -7.514 -12.144 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.274 -9.480 -11.347 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.784 -10.379 -11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.261 -9.878 -13.590 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.884 -9.233 -13.732 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.786 -11.443 -12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.151 -12.072 -12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.293 -12.649 -14.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.984 -11.621 -15.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.569 -11.011 -15.306 1.00 0.00 H new ATOM 642 N ASN A 42 8.182 -5.999 -10.207 1.00 0.00 N ATOM 643 CA ASN A 42 9.442 -5.304 -9.970 1.00 0.00 C ATOM 644 C ASN A 42 9.757 -5.226 -8.481 1.00 0.00 C ATOM 645 O ASN A 42 10.882 -5.508 -8.068 1.00 0.00 O ATOM 646 CB ASN A 42 9.398 -3.895 -10.569 1.00 0.00 C ATOM 647 CG ASN A 42 9.652 -3.880 -12.067 1.00 0.00 C ATOM 648 OD1 ASN A 42 9.416 -4.867 -12.765 1.00 0.00 O ATOM 649 ND2 ASN A 42 10.133 -2.754 -12.569 1.00 0.00 N ATOM 0 H ASN A 42 7.509 -5.462 -10.754 1.00 0.00 H new ATOM 0 HA ASN A 42 10.233 -5.874 -10.458 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.424 -3.450 -10.367 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.142 -3.272 -10.073 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.322 -2.681 -13.569 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.315 -1.959 -11.956 1.00 0.00 H new ATOM 656 N TRP A 43 8.760 -4.857 -7.683 1.00 0.00 N ATOM 657 CA TRP A 43 8.928 -4.776 -6.235 1.00 0.00 C ATOM 658 C TRP A 43 9.202 -6.157 -5.647 1.00 0.00 C ATOM 659 O TRP A 43 10.103 -6.323 -4.824 1.00 0.00 O ATOM 660 CB TRP A 43 7.684 -4.174 -5.572 1.00 0.00 C ATOM 661 CG TRP A 43 7.471 -2.719 -5.871 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.346 -1.860 -6.477 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.305 -1.948 -5.558 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.795 -0.604 -6.558 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.541 -0.637 -6.008 1.00 0.00 C ATOM 666 CE3 TRP A 43 5.083 -2.241 -4.947 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.602 0.381 -5.859 1.00 0.00 C ATOM 668 CZ3 TRP A 43 4.151 -1.232 -4.801 1.00 0.00 C ATOM 669 CH2 TRP A 43 4.413 0.065 -5.258 1.00 0.00 C ATOM 0 H TRP A 43 7.827 -4.609 -8.014 1.00 0.00 H new ATOM 0 HA TRP A 43 9.781 -4.127 -6.036 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.806 -4.733 -5.897 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.762 -4.304 -4.493 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.327 -2.130 -6.839 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.245 0.218 -6.961 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.871 -3.240 -4.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.805 1.384 -6.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.205 -1.447 -4.327 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.662 0.832 -5.134 1.00 0.00 H new ATOM 680 N ILE A 44 8.427 -7.143 -6.090 1.00 0.00 N ATOM 681 CA ILE A 44 8.554 -8.514 -5.602 1.00 0.00 C ATOM 682 C ILE A 44 9.978 -9.037 -5.777 1.00 0.00 C ATOM 683 O ILE A 44 10.571 -9.576 -4.844 1.00 0.00 O ATOM 684 CB ILE A 44 7.579 -9.456 -6.339 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.140 -8.965 -6.175 1.00 0.00 C ATOM 686 CG2 ILE A 44 7.718 -10.881 -5.821 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.150 -9.675 -7.071 1.00 0.00 C ATOM 0 H ILE A 44 7.698 -7.017 -6.792 1.00 0.00 H new ATOM 0 HA ILE A 44 8.309 -8.497 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 44 7.829 -9.451 -7.400 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.836 -9.097 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.104 -7.896 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.023 -11.531 -6.352 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.738 -11.230 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.493 -10.904 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.151 -9.274 -6.899 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.428 -9.522 -8.114 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.156 -10.742 -6.847 1.00 0.00 H new ATOM 699 N ILE A 45 10.524 -8.857 -6.969 1.00 0.00 N ATOM 700 CA ILE A 45 11.861 -9.350 -7.283 1.00 0.00 C ATOM 701 C ILE A 45 12.933 -8.527 -6.565 1.00 0.00 C ATOM 702 O ILE A 45 13.976 -9.051 -6.170 1.00 0.00 O ATOM 703 CB ILE A 45 12.118 -9.305 -8.809 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.047 -10.106 -9.559 1.00 0.00 C ATOM 705 CG2 ILE A 45 13.507 -9.834 -9.137 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.185 -10.050 -11.065 1.00 0.00 C ATOM 0 H ILE A 45 10.063 -8.372 -7.739 1.00 0.00 H new ATOM 0 HA ILE A 45 11.918 -10.383 -6.939 1.00 0.00 H new ATOM 0 HB ILE A 45 12.062 -8.266 -9.134 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.093 -11.147 -9.238 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.063 -9.730 -9.279 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.667 -9.793 -10.214 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.257 -9.222 -8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.593 -10.866 -8.796 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.392 -10.640 -11.525 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.108 -9.015 -11.399 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.154 -10.454 -11.357 1.00 0.00 H new ATOM 718 N LYS A 46 12.660 -7.242 -6.386 1.00 0.00 N ATOM 719 CA LYS A 46 13.640 -6.323 -5.829 1.00 0.00 C ATOM 720 C LYS A 46 13.743 -6.470 -4.313 1.00 0.00 C ATOM 721 O LYS A 46 14.833 -6.650 -3.771 1.00 0.00 O ATOM 722 CB LYS A 46 13.264 -4.883 -6.190 1.00 0.00 C ATOM 723 CG LYS A 46 14.351 -3.863 -5.894 1.00 0.00 C ATOM 724 CD LYS A 46 13.893 -2.459 -6.250 1.00 0.00 C ATOM 725 CE LYS A 46 15.033 -1.457 -6.195 1.00 0.00 C ATOM 726 NZ LYS A 46 16.080 -1.738 -7.215 1.00 0.00 N ATOM 0 H LYS A 46 11.765 -6.812 -6.620 1.00 0.00 H new ATOM 0 HA LYS A 46 14.613 -6.565 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.019 -4.838 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.363 -4.606 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.617 -3.906 -4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.250 -4.110 -6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.461 -2.462 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.105 -2.150 -5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.639 -0.452 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.482 -1.475 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.666 -0.890 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.679 -2.524 -6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.627 -1.996 -8.115 1.00 0.00 H new ATOM 740 N TYR A 47 12.607 -6.397 -3.634 1.00 0.00 N ATOM 741 CA TYR A 47 12.590 -6.389 -2.179 1.00 0.00 C ATOM 742 C TYR A 47 12.430 -7.798 -1.616 1.00 0.00 C ATOM 743 O TYR A 47 12.794 -8.067 -0.471 1.00 0.00 O ATOM 744 CB TYR A 47 11.460 -5.493 -1.672 1.00 0.00 C ATOM 745 CG TYR A 47 11.541 -4.074 -2.194 1.00 0.00 C ATOM 746 CD1 TYR A 47 12.425 -3.156 -1.640 1.00 0.00 C ATOM 747 CD2 TYR A 47 10.745 -3.663 -3.254 1.00 0.00 C ATOM 748 CE1 TYR A 47 12.506 -1.867 -2.125 1.00 0.00 C ATOM 749 CE2 TYR A 47 10.825 -2.375 -3.746 1.00 0.00 C ATOM 750 CZ TYR A 47 11.708 -1.483 -3.177 1.00 0.00 C ATOM 751 OH TYR A 47 11.798 -0.202 -3.666 1.00 0.00 O ATOM 0 H TYR A 47 11.685 -6.342 -4.068 1.00 0.00 H new ATOM 0 HA TYR A 47 13.546 -5.995 -1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.503 -5.926 -1.964 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.482 -5.474 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.058 -3.456 -0.818 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.053 -4.361 -3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.193 -1.162 -1.680 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.199 -2.069 -4.571 1.00 0.00 H new ATOM 0 HH TYR A 47 11.583 -0.201 -4.622 1.00 0.00 H new ATOM 761 N GLY A 48 11.889 -8.698 -2.422 1.00 0.00 N ATOM 762 CA GLY A 48 11.691 -10.064 -1.985 1.00 0.00 C ATOM 763 C GLY A 48 12.692 -11.009 -2.609 1.00 0.00 C ATOM 764 O GLY A 48 12.327 -12.088 -3.082 1.00 0.00 O ATOM 0 H GLY A 48 11.582 -8.506 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.774 -10.113 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.681 -10.384 -2.242 1.00 0.00 H new ATOM 928 N ALA A 61 26.004 -28.760 -9.060 1.00 0.00 N ATOM 929 CA ALA A 61 26.974 -29.615 -8.390 1.00 0.00 C ATOM 930 C ALA A 61 27.988 -30.182 -9.374 1.00 0.00 C ATOM 931 O ALA A 61 28.969 -30.812 -8.981 1.00 0.00 O ATOM 932 CB ALA A 61 26.268 -30.738 -7.648 1.00 0.00 C ATOM 0 HA ALA A 61 27.516 -29.003 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.007 -31.368 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 61 25.594 -30.315 -6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 61 25.696 -31.338 -8.355 1.00 0.00 H new ATOM 938 N VAL A 62 27.761 -29.927 -10.653 1.00 0.00 N ATOM 939 CA VAL A 62 28.678 -30.358 -11.701 1.00 0.00 C ATOM 940 C VAL A 62 29.957 -29.537 -11.638 1.00 0.00 C ATOM 941 O VAL A 62 31.050 -30.036 -11.906 1.00 0.00 O ATOM 942 CB VAL A 62 28.043 -30.230 -13.102 1.00 0.00 C ATOM 943 CG1 VAL A 62 29.002 -30.704 -14.186 1.00 0.00 C ATOM 944 CG2 VAL A 62 26.738 -31.009 -13.168 1.00 0.00 C ATOM 0 H VAL A 62 26.944 -29.420 -10.994 1.00 0.00 H new ATOM 0 HA VAL A 62 28.907 -31.410 -11.532 1.00 0.00 H new ATOM 0 HB VAL A 62 27.830 -29.176 -13.279 1.00 0.00 H new ATOM 0 HG11 VAL A 62 28.527 -30.602 -15.162 1.00 0.00 H new ATOM 0 HG12 VAL A 62 29.909 -30.100 -14.159 1.00 0.00 H new ATOM 0 HG13 VAL A 62 29.257 -31.750 -14.014 1.00 0.00 H new ATOM 0 HG21 VAL A 62 26.304 -30.908 -14.163 1.00 0.00 H new ATOM 0 HG22 VAL A 62 26.932 -32.062 -12.962 1.00 0.00 H new ATOM 0 HG23 VAL A 62 26.042 -30.616 -12.427 1.00 0.00 H new ATOM 954 N SER A 63 29.805 -28.284 -11.237 1.00 0.00 N ATOM 955 CA SER A 63 30.931 -27.376 -11.092 1.00 0.00 C ATOM 956 C SER A 63 31.893 -27.891 -10.029 1.00 0.00 C ATOM 957 O SER A 63 33.110 -27.746 -10.143 1.00 0.00 O ATOM 958 CB SER A 63 30.426 -25.987 -10.706 1.00 0.00 C ATOM 959 OG SER A 63 29.363 -25.579 -11.553 1.00 0.00 O ATOM 0 H SER A 63 28.902 -27.870 -11.004 1.00 0.00 H new ATOM 0 HA SER A 63 31.460 -27.316 -12.043 1.00 0.00 H new ATOM 0 HB2 SER A 63 30.088 -25.994 -9.670 1.00 0.00 H new ATOM 0 HB3 SER A 63 31.243 -25.268 -10.770 1.00 0.00 H new ATOM 0 HG SER A 63 29.055 -24.688 -11.286 1.00 0.00 H new ATOM 965 N GLU A 64 31.334 -28.512 -8.999 1.00 0.00 N ATOM 966 CA GLU A 64 32.134 -29.051 -7.916 1.00 0.00 C ATOM 967 C GLU A 64 32.766 -30.371 -8.336 1.00 0.00 C ATOM 968 O GLU A 64 33.911 -30.657 -7.998 1.00 0.00 O ATOM 969 CB GLU A 64 31.262 -29.257 -6.677 1.00 0.00 C ATOM 970 CG GLU A 64 31.926 -28.822 -5.381 1.00 0.00 C ATOM 971 CD GLU A 64 32.164 -27.326 -5.326 1.00 0.00 C ATOM 972 OE1 GLU A 64 31.198 -26.576 -5.060 1.00 0.00 O ATOM 973 OE2 GLU A 64 33.308 -26.889 -5.560 1.00 0.00 O ATOM 0 H GLU A 64 30.329 -28.653 -8.894 1.00 0.00 H new ATOM 0 HA GLU A 64 32.928 -28.343 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 64 30.332 -28.702 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 64 30.996 -30.311 -6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 64 31.301 -29.119 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.877 -29.343 -5.271 1.00 0.00 H new ATOM 980 N ALA A 65 32.018 -31.143 -9.115 1.00 0.00 N ATOM 981 CA ALA A 65 32.469 -32.449 -9.582 1.00 0.00 C ATOM 982 C ALA A 65 33.700 -32.322 -10.473 1.00 0.00 C ATOM 983 O ALA A 65 34.585 -33.177 -10.446 1.00 0.00 O ATOM 984 CB ALA A 65 31.352 -33.164 -10.325 1.00 0.00 C ATOM 0 H ALA A 65 31.086 -30.884 -9.440 1.00 0.00 H new ATOM 0 HA ALA A 65 32.744 -33.039 -8.708 1.00 0.00 H new ATOM 0 HB1 ALA A 65 31.706 -34.137 -10.666 1.00 0.00 H new ATOM 0 HB2 ALA A 65 30.501 -33.301 -9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 65 31.047 -32.567 -11.184 1.00 0.00 H new ATOM 990 N GLU A 66 33.746 -31.248 -11.252 1.00 0.00 N ATOM 991 CA GLU A 66 34.897 -30.955 -12.104 1.00 0.00 C ATOM 992 C GLU A 66 36.166 -30.830 -11.259 1.00 0.00 C ATOM 993 O GLU A 66 37.188 -31.463 -11.543 1.00 0.00 O ATOM 994 CB GLU A 66 34.656 -29.656 -12.869 1.00 0.00 C ATOM 995 CG GLU A 66 35.867 -29.161 -13.641 1.00 0.00 C ATOM 996 CD GLU A 66 35.626 -27.820 -14.294 1.00 0.00 C ATOM 997 OE1 GLU A 66 35.384 -26.833 -13.569 1.00 0.00 O ATOM 998 OE2 GLU A 66 35.685 -27.743 -15.539 1.00 0.00 O ATOM 0 H GLU A 66 32.995 -30.560 -11.313 1.00 0.00 H new ATOM 0 HA GLU A 66 35.026 -31.773 -12.813 1.00 0.00 H new ATOM 0 HB2 GLU A 66 33.830 -29.804 -13.565 1.00 0.00 H new ATOM 0 HB3 GLU A 66 34.346 -28.884 -12.165 1.00 0.00 H new ATOM 0 HG2 GLU A 66 36.719 -29.085 -12.965 1.00 0.00 H new ATOM 0 HG3 GLU A 66 36.131 -29.892 -14.405 1.00 0.00 H new ATOM 1005 N GLN A 67 36.078 -30.018 -10.215 1.00 0.00 N ATOM 1006 CA GLN A 67 37.191 -29.804 -9.299 1.00 0.00 C ATOM 1007 C GLN A 67 37.494 -31.079 -8.522 1.00 0.00 C ATOM 1008 O GLN A 67 38.653 -31.396 -8.267 1.00 0.00 O ATOM 1009 CB GLN A 67 36.869 -28.649 -8.344 1.00 0.00 C ATOM 1010 CG GLN A 67 37.193 -27.263 -8.901 1.00 0.00 C ATOM 1011 CD GLN A 67 36.991 -27.145 -10.403 1.00 0.00 C ATOM 1012 OE1 GLN A 67 37.922 -27.359 -11.181 1.00 0.00 O ATOM 1013 NE2 GLN A 67 35.779 -26.825 -10.824 1.00 0.00 N ATOM 0 H GLN A 67 35.237 -29.491 -9.979 1.00 0.00 H new ATOM 0 HA GLN A 67 38.077 -29.541 -9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 67 35.810 -28.687 -8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 67 37.424 -28.794 -7.417 1.00 0.00 H new ATOM 0 HG2 GLN A 67 36.567 -26.525 -8.400 1.00 0.00 H new ATOM 0 HG3 GLN A 67 38.228 -27.018 -8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 67 35.033 -26.655 -10.149 1.00 0.00 H new ATOM 0 HE22 GLN A 67 35.590 -26.748 -11.823 1.00 0.00 H new ATOM 1022 N ILE A 68 36.445 -31.817 -8.171 1.00 0.00 N ATOM 1023 CA ILE A 68 36.594 -33.091 -7.473 1.00 0.00 C ATOM 1024 C ILE A 68 37.445 -34.067 -8.285 1.00 0.00 C ATOM 1025 O ILE A 68 38.383 -34.669 -7.756 1.00 0.00 O ATOM 1026 CB ILE A 68 35.218 -33.728 -7.155 1.00 0.00 C ATOM 1027 CG1 ILE A 68 34.491 -32.921 -6.074 1.00 0.00 C ATOM 1028 CG2 ILE A 68 35.368 -35.181 -6.717 1.00 0.00 C ATOM 1029 CD1 ILE A 68 35.249 -32.820 -4.764 1.00 0.00 C ATOM 0 H ILE A 68 35.478 -31.553 -8.359 1.00 0.00 H new ATOM 0 HA ILE A 68 37.102 -32.883 -6.531 1.00 0.00 H new ATOM 0 HB ILE A 68 34.624 -33.711 -8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 68 34.302 -31.916 -6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 68 33.520 -33.378 -5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 68 34.385 -35.599 -6.501 1.00 0.00 H new ATOM 0 HG22 ILE A 68 35.839 -35.755 -7.515 1.00 0.00 H new ATOM 0 HG23 ILE A 68 35.987 -35.229 -5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 68 34.668 -32.234 -4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 68 35.415 -33.819 -4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 68 36.209 -32.334 -4.936 1.00 0.00 H new ATOM 1041 N ARG A 69 37.125 -34.213 -9.571 1.00 0.00 N ATOM 1042 CA ARG A 69 37.904 -35.080 -10.455 1.00 0.00 C ATOM 1043 C ARG A 69 39.359 -34.632 -10.490 1.00 0.00 C ATOM 1044 O ARG A 69 40.279 -35.441 -10.352 1.00 0.00 O ATOM 1045 CB ARG A 69 37.351 -35.072 -11.886 1.00 0.00 C ATOM 1046 CG ARG A 69 35.947 -35.635 -12.044 1.00 0.00 C ATOM 1047 CD ARG A 69 35.593 -35.781 -13.518 1.00 0.00 C ATOM 1048 NE ARG A 69 34.200 -36.179 -13.724 1.00 0.00 N ATOM 1049 CZ ARG A 69 33.822 -37.233 -14.455 1.00 0.00 C ATOM 1050 NH1 ARG A 69 34.732 -38.040 -14.987 1.00 0.00 N ATOM 1051 NH2 ARG A 69 32.535 -37.476 -14.652 1.00 0.00 N ATOM 0 H ARG A 69 36.338 -33.746 -10.021 1.00 0.00 H new ATOM 0 HA ARG A 69 37.833 -36.092 -10.056 1.00 0.00 H new ATOM 0 HB2 ARG A 69 37.357 -34.046 -12.254 1.00 0.00 H new ATOM 0 HB3 ARG A 69 38.027 -35.643 -12.522 1.00 0.00 H new ATOM 0 HG2 ARG A 69 35.880 -36.604 -11.550 1.00 0.00 H new ATOM 0 HG3 ARG A 69 35.228 -34.978 -11.555 1.00 0.00 H new ATOM 0 HD2 ARG A 69 35.776 -34.835 -14.028 1.00 0.00 H new ATOM 0 HD3 ARG A 69 36.250 -36.521 -13.974 1.00 0.00 H new ATOM 0 HE ARG A 69 33.472 -35.617 -13.282 1.00 0.00 H new ATOM 0 HH11 ARG A 69 35.725 -37.857 -14.839 1.00 0.00 H new ATOM 0 HH12 ARG A 69 34.439 -38.843 -15.544 1.00 0.00 H new ATOM 0 HH21 ARG A 69 31.832 -36.859 -14.246 1.00 0.00 H new ATOM 0 HH22 ARG A 69 32.247 -38.280 -15.210 1.00 0.00 H new ATOM 1065 N GLN A 70 39.547 -33.332 -10.664 1.00 0.00 N ATOM 1066 CA GLN A 70 40.865 -32.745 -10.807 1.00 0.00 C ATOM 1067 C GLN A 70 41.694 -32.932 -9.535 1.00 0.00 C ATOM 1068 O GLN A 70 42.875 -33.267 -9.597 1.00 0.00 O ATOM 1069 CB GLN A 70 40.711 -31.258 -11.122 1.00 0.00 C ATOM 1070 CG GLN A 70 41.682 -30.728 -12.165 1.00 0.00 C ATOM 1071 CD GLN A 70 43.134 -30.935 -11.782 1.00 0.00 C ATOM 1072 OE1 GLN A 70 43.732 -30.104 -11.105 1.00 0.00 O ATOM 1073 NE2 GLN A 70 43.718 -32.036 -12.228 1.00 0.00 N ATOM 0 H GLN A 70 38.785 -32.655 -10.710 1.00 0.00 H new ATOM 0 HA GLN A 70 41.390 -33.246 -11.620 1.00 0.00 H new ATOM 0 HB2 GLN A 70 39.693 -31.077 -11.467 1.00 0.00 H new ATOM 0 HB3 GLN A 70 40.841 -30.690 -10.201 1.00 0.00 H new ATOM 0 HG2 GLN A 70 41.489 -31.222 -13.117 1.00 0.00 H new ATOM 0 HG3 GLN A 70 41.500 -29.664 -12.315 1.00 0.00 H new ATOM 0 HE21 GLN A 70 43.188 -32.703 -12.788 1.00 0.00 H new ATOM 0 HE22 GLN A 70 44.698 -32.217 -12.012 1.00 0.00 H new ATOM 1082 N LEU A 71 41.069 -32.720 -8.386 1.00 0.00 N ATOM 1083 CA LEU A 71 41.763 -32.811 -7.109 1.00 0.00 C ATOM 1084 C LEU A 71 42.126 -34.261 -6.794 1.00 0.00 C ATOM 1085 O LEU A 71 43.259 -34.558 -6.411 1.00 0.00 O ATOM 1086 CB LEU A 71 40.878 -32.208 -6.003 1.00 0.00 C ATOM 1087 CG LEU A 71 41.558 -31.900 -4.658 1.00 0.00 C ATOM 1088 CD1 LEU A 71 41.790 -33.165 -3.844 1.00 0.00 C ATOM 1089 CD2 LEU A 71 42.872 -31.166 -4.877 1.00 0.00 C ATOM 0 H LEU A 71 40.080 -32.483 -8.312 1.00 0.00 H new ATOM 0 HA LEU A 71 42.693 -32.245 -7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 71 40.443 -31.283 -6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 71 40.053 -32.895 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 71 40.885 -31.257 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 71 42.272 -32.908 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 71 40.834 -33.649 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 71 42.430 -33.846 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 71 43.337 -30.957 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 71 43.540 -31.786 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 71 42.682 -30.228 -5.399 1.00 0.00 H new ATOM 1101 N LYS A 72 41.169 -35.160 -6.977 1.00 0.00 N ATOM 1102 CA LYS A 72 41.349 -36.553 -6.583 1.00 0.00 C ATOM 1103 C LYS A 72 42.243 -37.313 -7.561 1.00 0.00 C ATOM 1104 O LYS A 72 43.127 -38.064 -7.152 1.00 0.00 O ATOM 1105 CB LYS A 72 39.987 -37.245 -6.460 1.00 0.00 C ATOM 1106 CG LYS A 72 40.070 -38.660 -5.907 1.00 0.00 C ATOM 1107 CD LYS A 72 38.692 -39.289 -5.771 1.00 0.00 C ATOM 1108 CE LYS A 72 38.774 -40.709 -5.227 1.00 0.00 C ATOM 1109 NZ LYS A 72 37.428 -41.331 -5.100 1.00 0.00 N ATOM 0 H LYS A 72 40.262 -34.952 -7.394 1.00 0.00 H new ATOM 0 HA LYS A 72 41.847 -36.560 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 72 39.343 -36.649 -5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 72 39.514 -37.275 -7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 72 40.687 -39.273 -6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 72 40.561 -38.643 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 72 38.077 -38.680 -5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 72 38.199 -39.299 -6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 72 39.394 -41.316 -5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 72 39.262 -40.697 -4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 37.526 -42.297 -4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 36.844 -40.766 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 36.972 -41.365 -6.034 1.00 0.00 H new